A0A5K4F2W8_SCHMA Loading...

FA_desaturase domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F2W8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 373 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
1M35.7Very low42Very low244 Ų244111.9 Ų111.9100%1.20259%0.59SS**  0136.30-72170.9-177.200106.4
2T32.4Very low45.3Very low136 Ų136104.8 Ų104.883%0.83455%0.554SS**  trans-55.2138.7-172.545.10000111.5D4T2-D4 PolarHBondContact O-N 3.12Å; T2-D4 VanDerWaalsContact O-N 3.07Å
3S31.4Very low48.6Very low105 Ų105100.1 Ų100.173%0.73453%0.532SS*.  trans-33.6107.1175540000113.4S5S3-S5 VanDerWaalsContact C-N 3.27Å; S3-S5 PolarHBondContact O-N 3.01Å
4D34.6Very low51.6Low110 Ų11093 Ų9359%0.58849%0.494SS*.  55.937.5109.3-7116.9000116.4T2 W6T2-D4 PolarHBondContact O-N 3.12Å; T2-D4 VanDerWaalsContact O-N 3.07Å; D4-W6 HydrophobicContact CB-CG 4.46Å; D4-W6 VanDerWaalsContact O-CD1 3.27Å; D4-W6 PolarHBondContact O-N 2.84Å; D4-W6 PolarHBondContact OD1-NE1 3Å; D4-W6 PolarHBondContact OD2-NE1 2.89Å
5S34Very low54Low115 Ų11591.1 Ų91.180%0.80448%0.484SS*.  trans-68.167.3150.466.40000108.1S3 S7S3-S5 VanDerWaalsContact C-N 3.27Å; S3-S5 PolarHBondContact O-N 3.01Å; S5-S7 PolarHBondContact O-N 3.36Å
6W34.6Very low56.1Low157 Ų15790.9 Ų90.960%0.59548%0.477SS*.  trans-64105.5172.3-6696.3000106.5D4 F8D4-W6 HydrophobicContact CB-CG 4.46Å; D4-W6 VanDerWaalsContact O-CD1 3.27Å; D4-W6 PolarHBondContact O-N 2.84Å; D4-W6 PolarHBondContact OD1-NE1 3Å; D4-W6 PolarHBondContact OD2-NE1 2.89Å; W6-F8 PolarHBondContact O-N 2.81Å
7S36.5Very low57.7Low70 Ų7087.6 Ų87.649%0.4946%0.457SS..  trans-59.7126.2-179.959.10000109.4S5 F9S5-S7 PolarHBondContact O-N 3.36Å; S7-F9 PolarHBondContact O-N 3.3Å
8F36.6Very low59.3Low126 Ų12685.4 Ų85.455%0.55345%0.445SS*.THydrogen-bonded Turntrans-58.16.4-165.9-133.4-89.5000117.4W6 E29W6-F8 PolarHBondContact O-N 2.81Å; F8-E29 WeakPolarHBondContact CD1-OE1 3.49Å; F8-E29 HydrophobicContact CE1-CG 4.05Å; F8-E29 WeakPolarHBondContact CE1-OE1 3.37Å
9F52.2Low60.7Low43 Ų4387.7 Ų87.719%0.18945%0.454CS..THydrogen-bonded Turntrans-141.228.9-159.3-50.3-52.2000114.3S7 G11 P31 R35S7-F9 PolarHBondContact O-N 3.3Å; F9-G11 PolarHBondContact O-N 3.37Å; F9-P31 HydrophobicContact CB-CB 4Å; F9-P31 HydrophobicContact CD1-CB 3.07Å; F9-P31 WeakPolarHBondContact CD1-O 3.49Å; F9-P31 VanDerWaalsContact CE1-C 3.48Å; F9-P31 VanDerWaalsContact CE1-CA 3.42Å; F9-P31 HydrophobicContact CE1-CB 3.73Å; F9-P31 WeakPolarHBondContact CE1-O 3.27Å; F9-P31 HydrophobicContact CG-CB 3.78Å; F9-P31 VanDerWaalsContact CZ-O 3.3Å; F9-P31 WeakPolarHBondContact CZ-O 3.43Å; F9-R35 HydrophobicContact CZ-CB 4.22Å
10R60.7Low61.9Low121 Ų12185.8 Ų85.846%0.45744%0.444SS..BIsolated β-bridgetrans-74.692.4-175.6-72.4-178.3173.4-158.28.3111.4Q254R10-Q254 CarbonylContact C-O 3.49Å; R10-Q254 VanDerWaalsContact CA-O 3.22Å; R10-Q254 WeakPolarHBondContact CA-O 3.43Å; R10-Q254 HydrophobicContact CB-CB 3.99Å; R10-Q254 VanDerWaalsContact CD-OE1 3.25Å; R10-Q254 HydrophobicContact CG-CB 3.8Å
11G73.1Confident62.8Low4 Ų486.5 Ų86.54%0.04145%0.449CS..  trans-69.8156.9163.200000111F9 Q254 C327F9-G11 PolarHBondContact O-N 3.37Å; G11-Q254 PolarHBondContact N-O 3.25Å; G11-C327 VanDerWaalsContact CA-SG 3.59Å
12V82.3Confident64.7Low27 Ų2784.2 Ų84.216%0.16444%0.435CS..EExtended strand (participates in β ladder)trans-111.6158.7170.1-63.50000110.3F16 R17 W25 L250 C327 V328V12-F16 HydrophobicContact CB-CB 4.44Å; V12-F16 HydrophobicContact CB-CD1 3.87Å; V12-F16 HydrophobicContact CB-CG 4.46Å; V12-F16 HydrophobicContact CG1-CD1 3.96Å; V12-F16 HydrophobicContact CG1-CE1 4.29Å; V12-F16 HydrophobicContact CG2-CD1 4.22Å; V12-R17 HydrophobicContact CG2-CB 4.18Å; V12-W25 HydrophobicContact CB-CH2 4.09Å; V12-W25 HydrophobicContact CB-CZ3 4.26Å; V12-W25 HydrophobicContact CG1-CH2 3.81Å; V12-W25 HydrophobicContact CG1-CZ3 3.89Å; V12-W25 HydrophobicContact CG2-CE3 4.49Å; V12-W25 HydrophobicContact CG2-CH2 3.43Å; V12-W25 VanDerWaalsContact CG2-CH2 3.43Å; V12-W25 HydrophobicContact CG2-CZ2 4.45Å; V12-W25 HydrophobicContact CG2-CZ3 3.44Å; V12-W25 VanDerWaalsContact CG2-CZ3 3.44Å; V12-L250 WeakPolarHBondContact O-CD1 3.26Å; V12-C327 WeakPolarHBondContact O-CA 3.4Å; V12-V328 PolarHBondContact N-O 2.78Å; V12-V328 PolarHBondContact O-N 3.14Å
13T88.3Confident66.7Low43 Ų4382.4 Ų82.426%0.26442%0.42SS..EExtended strand (participates in β ladder)trans-67.6148.7173.3620000109.4L15 F16 R17 L250T13-L15 PolarHBondContact O-N 2.9Å; T13-F16 WeakPolarHBondContact O-CB 3.44Å; T13-F16 PolarHBondContact O-N 2.75Å; T13-F16 VanDerWaalsContact O-N 3.08Å; T13-F16 WeakPolarHBondContact OG1-CB 3.28Å; T13-F16 PolarHBondContact OG1-N 2.93Å; T13-R17 PolarHBondContact O-N 3.39Å; T13-L250 HydrophobicContact CG2-CB 4.16Å; T13-L250 HydrophobicContact CG2-CD1 4.02Å
14Y89.4Confident68.4Low1 Ų184.3 Ų84.30%0.00442%0.418CS..Hα-helixtrans-58.9-35.3175-160177.5000112F16 R17 I18 E153 M159 P160 L162 V165 Q324 H326 V328Y14-F16 PolarHBondContact O-N 3.49Å; Y14-R17 PolarHBondContact O-N 3.01Å; Y14-I18 HydrophobicContact CD2-CD1 3.77Å; Y14-I18 HydrophobicContact CD2-CG1 3.91Å; Y14-I18 HydrophobicContact CE2-CD1 3.92Å; Y14-I18 HydrophobicContact CE2-CG1 3.98Å; Y14-I18 HydrophobicContact CG-CD1 4.31Å; Y14-I18 WeakPolarHBondContact O-CD1 3.48Å; Y14-I18 VanDerWaalsContact O-CG1 3.28Å; Y14-I18 WeakPolarHBondContact O-CG1 3.47Å; Y14-I18 PolarHBondContact O-N 3.46Å; Y14-E153 HydrophobicContact CE2-CG 4.36Å; Y14-E153 WeakPolarHBondContact OH-CG 3.34Å; Y14-E153 PolarHBondContact OH-OE1 3.38Å; Y14-M159 HydrophobicContact CD1-CE 3.55Å; Y14-M159 HydrophobicContact CE1-CE 3.73Å; Y14-M159 HydrophobicContact CG-CE 4.04Å; Y14-P160 VanDerWaalsContact CE1-O 3.3Å; Y14-P160 WeakPolarHBondContact CE1-O 3.36Å; Y14-L162 HydrophobicContact CE2-CD2 3.89Å; Y14-L162 WeakPolarHBondContact OH-CD2 3.36Å; Y14-V165 HydrophobicContact CD1-CG2 3.43Å; Y14-V165 VanDerWaalsContact CD1-CG2 3.43Å; Y14-V165 HydrophobicContact CE1-CG2 3.64Å; Y14-V165 HydrophobicContact CG-CG2 4.2Å; Y14-Q324 PolarHBondContact N-O 3.18Å; Y14-Q324 VanDerWaalsContact N-O 3.13Å; Y14-H326 PolarHBondContact N-O 3.04Å; Y14-V328 HydrophobicContact CD1-CG2 4.22Å; Y14-V328 HydrophobicContact CD2-CG2 3.48Å; Y14-V328 VanDerWaalsContact CD2-CG2 3.48Å; Y14-V328 HydrophobicContact CE2-CG2 4.21Å; Y14-V328 HydrophobicContact CG-CG2 3.49Å; Y14-V328 VanDerWaalsContact CG-CG2 3.49Å
15L89Confident69.9Low64 Ų6481.3 Ų81.334%0.33540%0.398SS..Hα-helixtrans-56.9-50.7172.5-173.658.4000111.7T13 R17 I18 E19 Q324T13-L15 PolarHBondContact O-N 2.9Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 2.85Å; L15-I18 PolarHBondContact O-N 3.01Å; L15-I18 VanDerWaalsContact O-N 3.08Å; L15-E19 HydrophobicContact CD1-CG 4.34Å; L15-E19 HydrophobicContact CG-CG 4.43Å; L15-E19 WeakPolarHBondContact O-CG 3.34Å; L15-E19 PolarHBondContact O-N 2.74Å; L15-Q324 HydrophobicContact CB-CB 3.99Å; L15-Q324 HydrophobicContact CB-CG 4.13Å; L15-Q324 HydrophobicContact CD2-CG 4.29Å; L15-Q324 PolarHBondContact N-O 2.92Å
16F86.8Confident71.2Confident88 Ų8880.9 Ų80.939%0.38639%0.385SS..Hα-helixtrans-59.8-42.2179.6-177.1-88.1000111.4V12 T13 Y14 I18 E19 N20 W25V12-F16 HydrophobicContact CB-CB 4.44Å; V12-F16 HydrophobicContact CB-CD1 3.87Å; V12-F16 HydrophobicContact CB-CG 4.46Å; V12-F16 HydrophobicContact CG1-CD1 3.96Å; V12-F16 HydrophobicContact CG1-CE1 4.29Å; V12-F16 HydrophobicContact CG2-CD1 4.22Å; T13-F16 WeakPolarHBondContact O-CB 3.44Å; T13-F16 PolarHBondContact O-N 2.75Å; T13-F16 VanDerWaalsContact O-N 3.08Å; T13-F16 WeakPolarHBondContact OG1-CB 3.28Å; T13-F16 PolarHBondContact OG1-N 2.93Å; Y14-F16 PolarHBondContact O-N 3.49Å; F16-I18 VanDerWaalsContact C-N 3.3Å; F16-I18 PolarHBondContact O-N 3.32Å; F16-E19 PolarHBondContact O-N 3.37Å; F16-N20 HydrophobicContact CE1-CB 4.47Å; F16-N20 WeakPolarHBondContact CE2-ND2 3.22Å; F16-N20 PolarHBondContact O-N 2.91Å; F16-N20 PolarHBondContact O-ND2 3.3Å; F16-W25 AromaticContact CD1-CH2 3.68Å; F16-W25 HydrophobicContact CD1-CH2 3.68Å; F16-W25 AromaticContact CD1-CZ2 3.98Å; F16-W25 HydrophobicContact CD1-CZ2 3.98Å; F16-W25 AromaticContact CE1-CH2 3.6Å; F16-W25 HydrophobicContact CE1-CH2 3.6Å; F16-W25 AromaticContact CE1-CZ2 3.84Å; F16-W25 HydrophobicContact CE1-CZ2 3.84Å
17R83.1Confident72.4Confident36 Ų3674.9 Ų74.914%0.13636%0.363CS..Hα-helixtrans-61.2-37.6175.7172.959.8-173.969.8-3.6112.4V12 T13 Y14 L15 N20 D21 V328V12-R17 HydrophobicContact CG2-CB 4.18Å; T13-R17 PolarHBondContact O-N 3.39Å; Y14-R17 PolarHBondContact O-N 3.01Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 2.85Å; R17-N20 CarbonylContact O-C 2.98Å; R17-D21 IonicContact CZ-OD1 3.93Å; R17-D21 IonicContact NH1-OD1 3.71Å; R17-D21 PolarHBondContact NH1-OD1 2.96Å; R17-D21 IonicContact NH2-OD1 3.82Å; R17-D21 PolarHBondContact NH2-OD1 3.43Å; R17-D21 PolarHBondContact O-N 3.41Å; R17-V328 HydrophobicContact CB-CB 4.3Å; R17-V328 HydrophobicContact CB-CG1 4.24Å; R17-V328 HydrophobicContact CG-CB 4.45Å; R17-V328 HydrophobicContact CG-CG1 3.86Å
18I85.9Confident73.5Confident47 Ų4777.9 Ų77.924%0.24137%0.373CS..Hα-helixtrans-71.8-39.2177.6-68.4161.3000111.2Y14 L15 F16 N20 L162 V165Y14-I18 HydrophobicContact CD2-CD1 3.77Å; Y14-I18 HydrophobicContact CD2-CG1 3.91Å; Y14-I18 HydrophobicContact CE2-CD1 3.92Å; Y14-I18 HydrophobicContact CE2-CG1 3.98Å; Y14-I18 HydrophobicContact CG-CD1 4.31Å; Y14-I18 WeakPolarHBondContact O-CD1 3.48Å; Y14-I18 VanDerWaalsContact O-CG1 3.28Å; Y14-I18 WeakPolarHBondContact O-CG1 3.47Å; Y14-I18 PolarHBondContact O-N 3.46Å; L15-I18 PolarHBondContact O-N 3.01Å; L15-I18 VanDerWaalsContact O-N 3.08Å; F16-I18 VanDerWaalsContact C-N 3.3Å; F16-I18 PolarHBondContact O-N 3.32Å; I18-N20 PolarHBondContact O-N 2.84Å; I18-L162 HydrophobicContact CD1-CD2 3.49Å; I18-L162 VanDerWaalsContact CD1-CD2 3.49Å; I18-L162 HydrophobicContact CG1-CD2 3.82Å; I18-V165 HydrophobicContact CD1-CB 4.5Å; I18-V165 HydrophobicContact CD1-CG1 3.64Å
19E87.5Confident74.7Confident130 Ų13074.7 Ų74.761%0.60736%0.36SS*.Hα-helixtrans-69.3-22178.6-71.2174.9166.700112.7L15 F16L15-E19 HydrophobicContact CD1-CG 4.34Å; L15-E19 HydrophobicContact CG-CG 4.43Å; L15-E19 WeakPolarHBondContact O-CG 3.34Å; L15-E19 PolarHBondContact O-N 2.74Å; F16-E19 PolarHBondContact O-N 3.37Å
20N84.5Confident75.4Confident48 Ų4873.7 Ų73.726%0.25736%0.356SS..THydrogen-bonded Turntrans-122.639.4-179-56.9-89.4000111.5F16 R17 I18 E22 D23 W25F16-N20 HydrophobicContact CE1-CB 4.47Å; F16-N20 WeakPolarHBondContact CE2-ND2 3.22Å; F16-N20 PolarHBondContact O-N 2.91Å; F16-N20 PolarHBondContact O-ND2 3.3Å; R17-N20 CarbonylContact O-C 2.98Å; I18-N20 PolarHBondContact O-N 2.84Å; N20-E22 PolarHBondContact O-N 3.28Å; N20-D23 PolarHBondContact O-N 3.01Å; N20-W25 HydrophobicContact CB-CZ2 4.27Å; N20-W25 PolarHBondContact O-NE1 2.9Å
21D79.9Confident75.7Confident101 Ų10168.4 Ų68.454%0.5434%0.338SS..THydrogen-bonded Turntrans-68.3-19.1-179.7-173.145.2000113.5R17 D23R17-D21 IonicContact CZ-OD1 3.93Å; R17-D21 IonicContact NH1-OD1 3.71Å; R17-D21 PolarHBondContact NH1-OD1 2.96Å; R17-D21 IonicContact NH2-OD1 3.82Å; R17-D21 PolarHBondContact NH2-OD1 3.43Å; R17-D21 PolarHBondContact O-N 3.41Å; D21-D23 VanDerWaalsContact C-N 3.3Å
22E76.1Confident76.4Confident197 Ų19768.3 Ų68.392%0.92134%0.336SS*.THydrogen-bonded Turntrans-75.9-17.8176.4-60.3-172.217800113.1N20N20-E22 PolarHBondContact O-N 3.28Å
23D74.7Confident76.5Confident97 Ų9769 Ų6952%0.51934%0.341SS..SBendtrans-77.6151.5-179.2-70.4-23.5000111.9N20 D21 W25N20-D23 PolarHBondContact O-N 3.01Å; D21-D23 VanDerWaalsContact C-N 3.3Å; D23-W25 PolarHBondContact O-N 2.99Å
24E67.8Low76.4Confident146 Ų14667.6 Ų67.668%0.68233%0.332SS*.  trans-77.4112.8173.4-169.5179.5179.900110.5I26 L333E24-I26 HydrophobicContact CG-CD1 4.47Å; E24-I26 HydrophobicContact CG-CG1 3.99Å; E24-L333 HydrophobicContact CG-CD1 3.82Å
25W65.2Low76.4Confident47 Ų4768.1 Ų68.118%0.17833%0.334CS..  trans-96.995.2179.3-7487.9000110.7V12 F16 N20 D23 S330 Q331V12-W25 HydrophobicContact CB-CH2 4.09Å; V12-W25 HydrophobicContact CB-CZ3 4.26Å; V12-W25 HydrophobicContact CG1-CH2 3.81Å; V12-W25 HydrophobicContact CG1-CZ3 3.89Å; V12-W25 HydrophobicContact CG2-CE3 4.49Å; V12-W25 HydrophobicContact CG2-CH2 3.43Å; V12-W25 VanDerWaalsContact CG2-CH2 3.43Å; V12-W25 HydrophobicContact CG2-CZ2 4.45Å; V12-W25 HydrophobicContact CG2-CZ3 3.44Å; V12-W25 VanDerWaalsContact CG2-CZ3 3.44Å; F16-W25 AromaticContact CD1-CH2 3.68Å; F16-W25 HydrophobicContact CD1-CH2 3.68Å; F16-W25 AromaticContact CD1-CZ2 3.98Å; F16-W25 HydrophobicContact CD1-CZ2 3.98Å; F16-W25 AromaticContact CE1-CH2 3.6Å; F16-W25 HydrophobicContact CE1-CH2 3.6Å; F16-W25 AromaticContact CE1-CZ2 3.84Å; F16-W25 HydrophobicContact CE1-CZ2 3.84Å; N20-W25 HydrophobicContact CB-CZ2 4.27Å; N20-W25 PolarHBondContact O-NE1 2.9Å; D23-W25 PolarHBondContact O-N 2.99Å; W25-S330 WeakPolarHBondContact O-CB 3.5Å; W25-Q331 PolarHBondContact O-N 3.16Å; W25-Q331 VanDerWaalsContact O-O 3.11Å
26I61.5Low76.7Confident105 Ų10568.2 Ų68.254%0.53833%0.33SS..BIsolated β-bridgetrans-90124.2177.9-54.4177000110E24 S330E24-I26 HydrophobicContact CG-CD1 4.47Å; E24-I26 HydrophobicContact CG-CG1 3.99Å; I26-S330 WeakPolarHBondContact O-CB 2.92Å; I26-S330 PolarHBondContact O-OG 3.12Å
27Y59.7Low77.1Confident32 Ų3270.3 Ų70.313%0.12534%0.339CS..  trans-91123.1169.4-172.4-96.7000109.8E30 T329 S330 Q331 D332Y27-E30 WeakPolarHBondContact OH-CA 3.39Å; Y27-E30 WeakPolarHBondContact OH-CB 3.49Å; Y27-E30 PolarHBondContact OH-N 3.15Å; Y27-T329 HydrophobicContact CE2-CG2 4.32Å; Y27-S330 WeakPolarHBondContact CA-OG 3.44Å; Y27-S330 WeakPolarHBondContact CB-O 3.38Å; Y27-S330 WeakPolarHBondContact CD2-O 3.46Å; Y27-S330 PolarHBondContact N-OG 3.01Å; Y27-Q331 VanDerWaalsContact CB-O 3.31Å; Y27-Q331 WeakPolarHBondContact CB-O 3.35Å; Y27-Q331 PolarHBondContact N-O 3.01Å; Y27-D332 VanDerWaalsContact CB-N 3.32Å; Y27-D332 HydrophobicContact CD1-CB 3.9Å; Y27-D332 HydrophobicContact CG-CB 4.4Å
28D59Low77.7Confident132 Ų13273.5 Ų73.571%0.70636%0.355SS*.  trans-85.3-56.3177.2-161.56.2000110
29E61.8Low78.2Confident60 Ų6071.2 Ų71.228%0.2834%0.344SS..  trans-161.1166.6175.957.3164.4-147.400114.2F8 S34F8-E29 WeakPolarHBondContact CD1-OE1 3.49Å; F8-E29 HydrophobicContact CE1-CG 4.05Å; F8-E29 WeakPolarHBondContact CE1-OE1 3.37Å; E29-S34 WeakPolarHBondContact OE1-CB 3.33Å; E29-S34 PolarHBondContact OE1-OG 3.41Å
30E66.5Low78.7Confident22 Ų2266.9 Ų66.910%0.10333%0.325CS..  trans-72.5123.7172.8-164.2-80108.600109.5Y27 H32 V33Y27-E30 WeakPolarHBondContact OH-CA 3.39Å; Y27-E30 WeakPolarHBondContact OH-CB 3.49Å; Y27-E30 PolarHBondContact OH-N 3.15Å; E30-H32 PolarHBondContact O-N 2.88Å; E30-H32 WeakPolarHBondContact OE1-CB 3.31Å; E30-H32 IonicContact OE1-CD2 2.68Å; E30-H32 PolarHBondContact OE1-CD2 3.42Å; E30-H32 IonicContact OE1-CG 2.89Å; E30-H32 PolarHBondContact OE1-N 3.48Å; E30-H32 WeakPolarHBondContact OE2-CB 3.39Å; E30-V33 HydrophobicContact CB-CG2 4.1Å; E30-V33 PolarHBondContact O-N 3.35Å; E30-V33 WeakPolarHBondContact OE2-CG2 3.25Å; E30-V33 PolarHBondContact OE2-N 3.34Å
31P67.1Low79.4Confident10 Ų1069.5 Ų69.57%0.06535%0.347CS..Hα-helixtrans-57.6-23.5-168.923.3-36.4000114.2F9 L150 A256F9-P31 HydrophobicContact CB-CB 4Å; F9-P31 HydrophobicContact CD1-CB 3.07Å; F9-P31 WeakPolarHBondContact CD1-O 3.49Å; F9-P31 VanDerWaalsContact CE1-C 3.48Å; F9-P31 VanDerWaalsContact CE1-CA 3.42Å; F9-P31 HydrophobicContact CE1-CB 3.73Å; F9-P31 WeakPolarHBondContact CE1-O 3.27Å; F9-P31 HydrophobicContact CG-CB 3.78Å; F9-P31 VanDerWaalsContact CZ-O 3.3Å; F9-P31 WeakPolarHBondContact CZ-O 3.43Å; P31-L150 HydrophobicContact CG-CD2 4.49Å; P31-A256 HydrophobicContact CG-CB 4.42Å
32H88.1Confident80.3Confident1 Ų169.8 Ų69.81%0.00534%0.343CS..Hα-helixtrans-89.7-17.2-176.9-59.9-74000113E30 R36 T257 H278 D279E30-H32 PolarHBondContact O-N 2.88Å; E30-H32 WeakPolarHBondContact OE1-CB 3.31Å; E30-H32 IonicContact OE1-CD2 2.68Å; E30-H32 PolarHBondContact OE1-CD2 3.42Å; E30-H32 IonicContact OE1-CG 2.89Å; E30-H32 PolarHBondContact OE1-N 3.48Å; E30-H32 WeakPolarHBondContact OE2-CB 3.39Å; H32-R36 WeakPolarHBondContact O-CB 3.14Å; H32-R36 PolarHBondContact O-N 3Å; H32-T257 WeakPolarHBondContact NE2-CB 3.47Å; H32-T257 PolarHBondContact NE2-OG1 2.86Å; H32-H278 HydrophobicContact CB-CB 4.19Å; H32-H278 WeakPolarHBondContact CB-O 3.35Å; H32-H278 WeakPolarHBondContact CD2-CB 3.42Å; H32-H278 AromaticContact CD2-CG 3.9Å; H32-H278 AromaticContact CD2-ND1 3.82Å; H32-H278 VanDerWaalsContact CE1-CB 3.46Å; H32-H278 WeakPolarHBondContact CE1-CB 3.48Å; H32-H278 VanDerWaalsContact CG-CB 3.46Å; H32-H278 WeakPolarHBondContact NE2-CB 3.26Å; H32-H278 AromaticContact NE2-CG 3.81Å; H32-H278 AromaticContact NE2-ND1 3.99Å; H32-D279 VanDerWaalsContact CA-OD1 3.27Å; H32-D279 WeakPolarHBondContact CA-OD1 3.42Å; H32-D279 VanDerWaalsContact CB-OD1 3.25Å; H32-D279 WeakPolarHBondContact CB-OD1 3.29Å; H32-D279 IonicContact CE1-OD1 3.46Å; H32-D279 IonicContact CG-OD1 3.17Å; H32-D279 IonicContact ND1-OD1 2.97Å; H32-D279 PolarHBondContact ND1-OD1 3.41Å
33V85.6Confident81.3Confident43 Ų4362.5 Ų62.526%0.26131%0.308SS..Hα-helixtrans-71-47.8-179.4170.90000112.8E30 K37E30-V33 HydrophobicContact CB-CG2 4.1Å; E30-V33 PolarHBondContact O-N 3.35Å; E30-V33 WeakPolarHBondContact OE2-CG2 3.25Å; E30-V33 PolarHBondContact OE2-N 3.34Å; V33-K37 HydrophobicContact CG1-CD 4.41Å; V33-K37 WeakPolarHBondContact O-CG 3.41Å; V33-K37 PolarHBondContact O-N 2.88Å; V33-K37 VanDerWaalsContact O-N 3.16Å
34S85.2Confident82.4Confident13 Ų1361.5 Ų61.59%0.09131%0.307CS..Hα-helixtrans-65.6-48.2179.1420000111.4E29 R36 K37 E38E29-S34 WeakPolarHBondContact OE1-CB 3.33Å; E29-S34 PolarHBondContact OE1-OG 3.41Å; S34-R36 VanDerWaalsContact C-N 3.32Å; S34-R36 PolarHBondContact O-N 3.36Å; S34-K37 WeakPolarHBondContact O-CA 3.38Å; S34-K37 WeakPolarHBondContact O-CB 3.25Å; S34-K37 PolarHBondContact O-N 3.33Å; S34-E38 PolarHBondContact O-N 2.92Å
35R90.4Very high83.9Confident12 Ų1258.4 Ų58.45%0.04529%0.292CS..Hα-helixtrans-58.6-42.9178.2-156.5178.2-25.4168.46112.4F9 K37 E38 I39 D279 Y298 L302F9-R35 HydrophobicContact CZ-CB 4.22Å; R35-K37 VanDerWaalsContact C-N 3.33Å; R35-K37 PolarHBondContact O-N 2.89Å; R35-E38 PolarHBondContact O-N 2.84Å; R35-I39 HydrophobicContact CG-CD1 4.01Å; R35-I39 WeakPolarHBondContact O-CB 3.36Å; R35-I39 VanDerWaalsContact O-CG1 3.28Å; R35-I39 WeakPolarHBondContact O-CG1 3.29Å; R35-I39 PolarHBondContact O-N 3.15Å; R35-D279 VanDerWaalsContact CD-OD2 3.24Å; R35-D279 WeakPolarHBondContact CD-OD2 3.33Å; R35-D279 IonicContact CZ-OD1 3.61Å; R35-D279 IonicContact CZ-OD2 3.72Å; R35-D279 IonicContact NE-OD1 2.72Å; R35-D279 IonicContact NE-OD2 2.71Å; R35-D279 IonicContact NH1-OD2 3.91Å; R35-Y298 HydrophobicContact CG-CD1 3.82Å; R35-L302 VanDerWaalsContact NH1-CD1 3.26Å
36R94.9Very high85.5Confident65 Ų6556.1 Ų56.125%0.24528%0.283CS..Hα-helixtrans-55.3-46.1171.2-178.8-167.2-62131.313.7111.9H32 S34 L40 H278 D279 F280H32-R36 WeakPolarHBondContact O-CB 3.14Å; H32-R36 PolarHBondContact O-N 3Å; S34-R36 VanDerWaalsContact C-N 3.32Å; S34-R36 PolarHBondContact O-N 3.36Å; R36-L40 HydrophobicContact CG-CD1 4.07Å; R36-L40 WeakPolarHBondContact O-CB 3.39Å; R36-L40 VanDerWaalsContact O-CG 3.24Å; R36-L40 WeakPolarHBondContact O-CG 3.36Å; R36-L40 PolarHBondContact O-N 2.7Å; R36-H278 PolarHBondContact NH2-O 3.47Å; R36-D279 WeakPolarHBondContact CB-O 3.12Å; R36-D279 WeakPolarHBondContact CG-O 3.44Å; R36-D279 PolarHBondContact NE-O 3.39Å; R36-D279 PolarHBondContact NH2-O 3.33Å; R36-F280 HydrophobicContact CB-CZ 4.27Å; R36-F280 HydrophobicContact CG-CD1 4.1Å; R36-F280 HydrophobicContact CG-CE1 3.6Å; R36-F280 HydrophobicContact CG-CE2 4.5Å; R36-F280 HydrophobicContact CG-CZ 3.82Å
37K94.6Very high87.2Confident133 Ų13357.2 Ų57.258%0.57828%0.284SS*.Hα-helixtrans-64.7-43.9179.5-71169.6-1761680111.8V33 S34 R35 L40 S41V33-K37 HydrophobicContact CG1-CD 4.41Å; V33-K37 WeakPolarHBondContact O-CG 3.41Å; V33-K37 PolarHBondContact O-N 2.88Å; V33-K37 VanDerWaalsContact O-N 3.16Å; S34-K37 WeakPolarHBondContact O-CA 3.38Å; S34-K37 WeakPolarHBondContact O-CB 3.25Å; S34-K37 PolarHBondContact O-N 3.33Å; R35-K37 VanDerWaalsContact C-N 3.33Å; R35-K37 PolarHBondContact O-N 2.89Å; K37-L40 PolarHBondContact O-N 3.41Å; K37-S41 WeakPolarHBondContact O-CB 3.49Å; K37-S41 PolarHBondContact O-N 2.88Å
38E95.2Very high89Confident102 Ų10263.1 Ų63.148%0.47731%0.313SS..Hα-helixtrans-62.4-49.4177.8-70.4177.8-173.500111.4S34 R35 L40 S41 K42 Y298S34-E38 PolarHBondContact O-N 2.92Å; R35-E38 PolarHBondContact O-N 2.84Å; E38-L40 VanDerWaalsContact C-N 3.35Å; E38-L40 PolarHBondContact O-N 2.67Å; E38-S41 WeakPolarHBondContact O-CB 3.41Å; E38-S41 PolarHBondContact O-N 3.48Å; E38-S41 VanDerWaalsContact O-N 3.14Å; E38-K42 PolarHBondContact O-N 3.32Å; E38-Y298 HydrophobicContact CB-CE1 4.06Å
39I97.7Very high90.9Very high0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-58.6-46.1176.6-70.1169.6000110.5R35 S41 K42 Y43 V46 F280 A295 Y298 Y299R35-I39 HydrophobicContact CG-CD1 4.01Å; R35-I39 WeakPolarHBondContact O-CB 3.36Å; R35-I39 VanDerWaalsContact O-CG1 3.28Å; R35-I39 WeakPolarHBondContact O-CG1 3.29Å; R35-I39 PolarHBondContact O-N 3.15Å; I39-S41 VanDerWaalsContact C-N 3.29Å; I39-S41 PolarHBondContact O-N 2.86Å; I39-K42 PolarHBondContact O-N 2.91Å; I39-Y43 HydrophobicContact CG2-CD2 4.43Å; I39-Y43 WeakPolarHBondContact O-CA 3.38Å; I39-Y43 WeakPolarHBondContact O-CB 3.28Å; I39-Y43 PolarHBondContact O-N 3.2Å; I39-V46 HydrophobicContact CG2-CG1 4.45Å; I39-V46 HydrophobicContact CG2-CG2 3.99Å; I39-F280 HydrophobicContact CB-CE2 4.1Å; I39-F280 HydrophobicContact CB-CZ 3.88Å; I39-F280 HydrophobicContact CD1-CE2 3.9Å; I39-F280 HydrophobicContact CG2-CE2 3.77Å; I39-F280 HydrophobicContact CG2-CZ 3.58Å; I39-A295 HydrophobicContact CD1-CB 4.2Å; I39-A295 HydrophobicContact CG1-CB 4.17Å; I39-A295 HydrophobicContact CG2-CB 3.91Å; I39-Y298 HydrophobicContact CD1-CD1 4.24Å; I39-Y298 HydrophobicContact CD1-CD2 4.15Å; I39-Y298 HydrophobicContact CD1-CG 3.87Å; I39-Y298 HydrophobicContact CG1-CD1 3.91Å; I39-Y298 HydrophobicContact CG1-CD2 3.61Å; I39-Y298 HydrophobicContact CG1-CE1 4.04Å; I39-Y298 HydrophobicContact CG1-CE2 3.75Å; I39-Y298 HydrophobicContact CG1-CG 3.7Å; I39-Y299 WeakPolarHBondContact CD1-OH 3.34Å
40L98.3Very high92.6Very high38 Ų3857.7 Ų57.720%0.19928%0.284CS..Hα-helixtrans-67.3-27.5178.8-74.7177.5000113.8R36 K37 E38 V46 K47 M50 F280R36-L40 HydrophobicContact CG-CD1 4.07Å; R36-L40 WeakPolarHBondContact O-CB 3.39Å; R36-L40 VanDerWaalsContact O-CG 3.24Å; R36-L40 WeakPolarHBondContact O-CG 3.36Å; R36-L40 PolarHBondContact O-N 2.7Å; K37-L40 PolarHBondContact O-N 3.41Å; E38-L40 VanDerWaalsContact C-N 3.35Å; E38-L40 PolarHBondContact O-N 2.67Å; L40-V46 HydrophobicContact CD2-CB 4.23Å; L40-V46 HydrophobicContact CD2-CG1 4.17Å; L40-K47 HydrophobicContact CD2-CG 3.62Å; L40-M50 HydrophobicContact CD1-CE 4.23Å; L40-M50 HydrophobicContact CD2-CE 4.01Å; L40-F280 HydrophobicContact CD1-CE1 4.13Å; L40-F280 HydrophobicContact CD2-CE1 3.77Å; L40-F280 HydrophobicContact CD2-CZ 4.33Å; L40-F280 HydrophobicContact CG-CE1 3.72Å; L40-F280 HydrophobicContact CG-CZ 4.06Å
41S98.2Very high94Very high104 Ų10457.8 Ų57.873%0.72729%0.291SS*.Hα-helixtrans-74.8-38.7174.7-172.10000111.6K37 E38 I39K37-S41 WeakPolarHBondContact O-CB 3.49Å; K37-S41 PolarHBondContact O-N 2.88Å; E38-S41 WeakPolarHBondContact O-CB 3.41Å; E38-S41 PolarHBondContact O-N 3.48Å; E38-S41 VanDerWaalsContact O-N 3.14Å; I39-S41 VanDerWaalsContact C-N 3.29Å; I39-S41 PolarHBondContact O-N 2.86Å
42K98.5Very high95.5Very high106 Ų10660.2 Ų60.246%0.46131%0.307SS..Hα-helixtrans-83.1-36.8-178.1-169.5171.4-178.11780112.9E38 I39 E297 Y298E38-K42 PolarHBondContact O-N 3.32Å; I39-K42 PolarHBondContact O-N 2.91Å; K42-E297 VanDerWaalsContact CD-OE1 3.32Å; K42-E297 WeakPolarHBondContact CD-OE1 3.47Å; K42-E297 VanDerWaalsContact CE-OE1 3.31Å; K42-E297 WeakPolarHBondContact CE-OE1 3.33Å; K42-E297 IonicContact NZ-OE1 2.62Å; K42-E297 PolarHBondContact NZ-OE1 3Å; K42-E297 IonicContact NZ-OE2 2.91Å; K42-E297 PolarHBondContact NZ-OE2 2.95Å; K42-Y298 HydrophobicContact CD-CE2 4.46Å
43Y98.4Very high96Very high45 Ų4561.3 Ų61.318%0.17631%0.313CS..  trans-12872.1-175.4-55.5-68.8000110.6I39 E45 V46 I294 A295 E297 Y298I39-Y43 HydrophobicContact CG2-CD2 4.43Å; I39-Y43 WeakPolarHBondContact O-CA 3.38Å; I39-Y43 WeakPolarHBondContact O-CB 3.28Å; I39-Y43 PolarHBondContact O-N 3.2Å; Y43-E45 VanDerWaalsContact CA-OE2 3.27Å; Y43-E45 WeakPolarHBondContact CA-OE2 3.41Å; Y43-E45 PolarHBondContact O-N 3.44Å; Y43-E45 VanDerWaalsContact O-N 3.12Å; Y43-V46 WeakPolarHBondContact O-CB 3.2Å; Y43-V46 WeakPolarHBondContact O-CG2 3.36Å; Y43-V46 PolarHBondContact O-N 3.45Å; Y43-I294 HydrophobicContact CD1-CG2 3.89Å; Y43-I294 HydrophobicContact CD2-CG2 4.44Å; Y43-I294 HydrophobicContact CG-CG2 3.79Å; Y43-A295 HydrophobicContact CD2-CB 4.05Å; Y43-A295 HydrophobicContact CE2-CB 4.19Å; Y43-E297 PolarHBondContact OH-OE1 3.18Å; Y43-Y298 AromaticContact CE2-CE2 3.99Å; Y43-Y298 HydrophobicContact CE2-CE2 3.99Å
44P97.9Very high96.6Very high76 Ų7662.6 Ų62.649%0.49432%0.317SS..G310 helixtrans-58.2-24.9-179.324.3-34.6000113.7V46 K47P44-V46 PolarHBondContact O-N 2.87Å; P44-K47 WeakPolarHBondContact O-CB 3.46Å; P44-K47 WeakPolarHBondContact O-CG 3.23Å; P44-K47 PolarHBondContact O-N 3.05Å; P44-K47 VanDerWaalsContact O-N 3.13Å
45E98.2Very high97.1Very high80 Ų8067.1 Ų67.137%0.37434%0.335SS..G310 helixtrans-61.5-19.4174.367.1-88.7-151.500113.5Y43 K47 E48 I294Y43-E45 VanDerWaalsContact CA-OE2 3.27Å; Y43-E45 WeakPolarHBondContact CA-OE2 3.41Å; Y43-E45 PolarHBondContact O-N 3.44Å; Y43-E45 VanDerWaalsContact O-N 3.12Å; E45-K47 PolarHBondContact O-N 3.41Å; E45-K47 VanDerWaalsContact O-N 3.16Å; E45-E48 VanDerWaalsContact O-CB 3.3Å; E45-E48 WeakPolarHBondContact O-CB 3.33Å; E45-E48 PolarHBondContact O-N 3.18Å; E45-I294 HydrophobicContact CG-CD1 4.35Å; E45-I294 HydrophobicContact CG-CG2 4.34Å
46V98.6Very high97.5Very high0 Ų066.6 Ų66.60%033%0.334CS..G310 helixtrans-58.2-28.3172.6168.80000111.4I39 L40 Y43 P44 E48 L49 F280 I283 L291 I294I39-V46 HydrophobicContact CG2-CG1 4.45Å; I39-V46 HydrophobicContact CG2-CG2 3.99Å; L40-V46 HydrophobicContact CD2-CB 4.23Å; L40-V46 HydrophobicContact CD2-CG1 4.17Å; Y43-V46 WeakPolarHBondContact O-CB 3.2Å; Y43-V46 WeakPolarHBondContact O-CG2 3.36Å; Y43-V46 PolarHBondContact O-N 3.45Å; P44-V46 PolarHBondContact O-N 2.87Å; V46-E48 PolarHBondContact O-N 3.33Å; V46-L49 WeakPolarHBondContact O-CB 3.43Å; V46-L49 PolarHBondContact O-N 3.48Å; V46-F280 HydrophobicContact CG1-CD1 4.02Å; V46-F280 HydrophobicContact CG1-CE1 3.64Å; V46-F280 HydrophobicContact CG1-CE2 4.32Å; V46-F280 HydrophobicContact CG1-CG 4.49Å; V46-F280 HydrophobicContact CG1-CZ 3.82Å; V46-I283 HydrophobicContact CG1-CD1 4Å; V46-L291 HydrophobicContact CG1-CD1 3.68Å; V46-L291 HydrophobicContact CG2-CD1 3.98Å; V46-I294 HydrophobicContact CG2-CG2 3.9Å
47K97.9Very high97.6Very high127 Ų12763.9 Ų63.955%0.55233%0.325SS*.G310 helixtrans-60.2-29.1174.6-66.3-176.4179.7172.80112.9L40 P44 E45 L49 M50L40-K47 HydrophobicContact CD2-CG 3.62Å; P44-K47 WeakPolarHBondContact O-CB 3.46Å; P44-K47 WeakPolarHBondContact O-CG 3.23Å; P44-K47 PolarHBondContact O-N 3.05Å; P44-K47 VanDerWaalsContact O-N 3.13Å; E45-K47 PolarHBondContact O-N 3.41Å; E45-K47 VanDerWaalsContact O-N 3.16Å; K47-L49 PolarHBondContact O-N 3.45Å; K47-M50 WeakPolarHBondContact O-CB 3.44Å; K47-M50 PolarHBondContact O-N 3.5Å
48E97.8Very high97.8Very high156 Ų15665.2 Ų65.273%0.72933%0.328SS*.G310 helixtrans-70.6-19.2178.3-57.3-179.4176.100112.5E45 V46E45-E48 VanDerWaalsContact O-CB 3.3Å; E45-E48 WeakPolarHBondContact O-CB 3.33Å; E45-E48 PolarHBondContact O-N 3.18Å; V46-E48 PolarHBondContact O-N 3.33Å
49L98.4Very high97.9Very high9 Ų965.8 Ų65.85%0.04733%0.328CS..G310 helixtrans-78.2-24.6174.7-56-174.3000112V46 K47 I283 K287 K290 L291 I294V46-L49 WeakPolarHBondContact O-CB 3.43Å; V46-L49 PolarHBondContact O-N 3.48Å; K47-L49 PolarHBondContact O-N 3.45Å; L49-I283 HydrophobicContact CB-CD1 3.73Å; L49-I283 HydrophobicContact CB-CG1 4.01Å; L49-I283 HydrophobicContact CB-CG2 4.08Å; L49-I283 HydrophobicContact CD1-CD1 4.41Å; L49-K287 HydrophobicContact CB-CB 4.4Å; L49-K287 HydrophobicContact CB-CD 4.34Å; L49-K287 HydrophobicContact CD2-CB 4.46Å; L49-K287 WeakPolarHBondContact O-CD 3.44Å; L49-K287 PolarHBondContact O-NZ 2.96Å; L49-K290 HydrophobicContact CD1-CB 4.46Å; L49-K290 HydrophobicContact CD1-CG 4.38Å; L49-K290 HydrophobicContact CD2-CD 3.75Å; L49-K290 HydrophobicContact CD2-CG 4.21Å; L49-L291 HydrophobicContact CD1-CB 3.93Å; L49-I294 HydrophobicContact CD1-CD1 4.11Å
50M98.1Very high97.9Very high70 Ų7065.8 Ų65.835%0.34533%0.328SS..BIsolated β-bridgetrans-66.9139.7-178.4-62.1175.6175.400111.2L40 K47 F280 Y282 I283L40-M50 HydrophobicContact CD1-CE 4.23Å; L40-M50 HydrophobicContact CD2-CE 4.01Å; K47-M50 WeakPolarHBondContact O-CB 3.44Å; K47-M50 PolarHBondContact O-N 3.5Å; M50-F280 HydrophobicContact CE-CD1 3.47Å; M50-F280 VanDerWaalsContact CE-CD1 3.47Å; M50-F280 HydrophobicContact CE-CE1 3.7Å; M50-Y282 WeakPolarHBondContact CA-O 3.38Å; M50-I283 HydrophobicContact CB-CG1 4.43Å; M50-I283 HydrophobicContact CG-CD1 4.36Å; M50-I283 HydrophobicContact CG-CG1 3.84Å
51G96.1Very high97.9Very high23 Ų2365.2 Ų65.224%0.23733%0.328CS..BIsolated β-bridgetrans116.4172.5178.600000113.4Y282 K287G51-Y282 PolarHBondContact N-O 3.42Å; G51-K287 PolarHBondContact O-NZ 3.39Å
52P97.6Very high98Very high62 Ų6266.5 Ų66.540%0.40332%0.32SS..  trans-69.3162-167.629.5-36.3000113.4L110 V111P52-L110 CarbonylContact C-O 3.47Å; P52-L110 WeakPolarHBondContact CA-O 3.47Å; P52-L110 VanDerWaalsContact CB-O 3.26Å; P52-L110 WeakPolarHBondContact CB-O 3.17Å; P52-V111 WeakPolarHBondContact CB-O 3.31Å
53D98.2Very high98Very high24 Ų2462.5 Ų62.513%0.12830%0.303CS..  trans-135.8114.8165.7-168.8-20.5000110.1K55 L56 L110 A284 T286D53-K55 PolarHBondContact O-N 3Å; D53-K55 VanDerWaalsContact O-N 3.13Å; D53-K55 VanDerWaalsContact OD1-CB 3.31Å; D53-K55 WeakPolarHBondContact OD1-CB 3.46Å; D53-K55 VanDerWaalsContact OD1-CG 3.26Å; D53-K55 WeakPolarHBondContact OD1-CG 3.47Å; D53-K55 PolarHBondContact OD1-N 3.5Å; D53-L56 WeakPolarHBondContact O-CB 3.44Å; D53-L56 PolarHBondContact O-N 3.3Å; D53-L110 PolarHBondContact N-O 3.07Å; D53-A284 HydrophobicContact CB-CB 3.7Å; D53-T286 WeakPolarHBondContact OD2-CB 3.19Å; D53-T286 WeakPolarHBondContact OD2-CG2 3.25Å; D53-T286 PolarHBondContact OD2-OG1 3.36Å
54I97.7Very high98Very high69 Ų6960.3 Ų60.335%0.35430%0.295SS..THydrogen-bonded Turntrans-64.1-17.5-178.7-16559.9000113L56 A57 Y58 V111 F112I54-L56 PolarHBondContact O-N 3.04Å; I54-A57 HydrophobicContact CD1-CB 3.96Å; I54-A57 VanDerWaalsContact O-CB 3.29Å; I54-A57 WeakPolarHBondContact O-CB 3.27Å; I54-A57 PolarHBondContact O-N 2.8Å; I54-Y58 HydrophobicContact CG2-CE2 4.11Å; I54-V111 HydrophobicContact CD1-CG1 3.98Å; I54-F112 HydrophobicContact CD1-CD1 3.98Å; I54-F112 HydrophobicContact CD1-CE1 3.6Å
55K97.6Very high98Very high109 Ų10962.4 Ų62.447%0.47430%0.297SS..Hα-helixtrans-57.5-33.2177.1-70.6174.5-173.6172.60112.6D53 A57 Y58 F59 T286D53-K55 PolarHBondContact O-N 3Å; D53-K55 VanDerWaalsContact O-N 3.13Å; D53-K55 VanDerWaalsContact OD1-CB 3.31Å; D53-K55 WeakPolarHBondContact OD1-CB 3.46Å; D53-K55 VanDerWaalsContact OD1-CG 3.26Å; D53-K55 WeakPolarHBondContact OD1-CG 3.47Å; D53-K55 PolarHBondContact OD1-N 3.5Å; K55-A57 PolarHBondContact O-N 3.25Å; K55-Y58 PolarHBondContact O-N 3.49Å; K55-F59 HydrophobicContact CB-CD2 4.4Å; K55-F59 HydrophobicContact CB-CE2 4.13Å; K55-F59 WeakPolarHBondContact O-CD2 3.41Å; K55-F59 PolarHBondContact O-N 2.83Å; K55-F59 VanDerWaalsContact O-N 3.16Å; K55-T286 HydrophobicContact CB-CG2 4.47Å; K55-T286 HydrophobicContact CD-CG2 4.41Å
56L97.3Very high98.1Very high1 Ų161.4 Ų61.41%0.00529%0.293CS..Hα-helixtrans-51.2-41.9172.3176.454.3000111.3D53 I54 Y58 S60 A102 E105 V106 V111 Y269 Y285D53-L56 WeakPolarHBondContact O-CB 3.44Å; D53-L56 PolarHBondContact O-N 3.3Å; I54-L56 PolarHBondContact O-N 3.04Å; L56-Y58 PolarHBondContact O-N 3.41Å; L56-S60 PolarHBondContact O-N 3.17Å; L56-S60 PolarHBondContact O-OG 2.85Å; L56-A102 HydrophobicContact CD1-CB 4.11Å; L56-E105 HydrophobicContact CD1-CB 4.25Å; L56-E105 HydrophobicContact CD2-CB 3.31Å; L56-E105 HydrophobicContact CD2-CG 4.2Å; L56-E105 HydrophobicContact CG-CB 4.44Å; L56-V106 HydrophobicContact CD2-CG2 4.25Å; L56-V111 HydrophobicContact CB-CG2 4.04Å; L56-V111 HydrophobicContact CD2-CG2 3.34Å; L56-V111 HydrophobicContact CG-CG2 3.61Å; L56-Y269 HydrophobicContact CD1-CD1 3.45Å; L56-Y269 VanDerWaalsContact CD1-CD1 3.45Å; L56-Y269 HydrophobicContact CD1-CE1 3.37Å; L56-Y269 HydrophobicContact CD1-CG 4.27Å; L56-Y285 HydrophobicContact CB-CE1 3.94Å; L56-Y285 HydrophobicContact CD1-CD1 4.49Å; L56-Y285 HydrophobicContact CD1-CE1 4.16Å
57A98.3Very high98.1Very high8 Ų861.4 Ų61.47%0.06629%0.293CS..Hα-helixtrans-66.6-36178.700000112.8I54 K55 S61 V111 Y123I54-A57 HydrophobicContact CD1-CB 3.96Å; I54-A57 VanDerWaalsContact O-CB 3.29Å; I54-A57 WeakPolarHBondContact O-CB 3.27Å; I54-A57 PolarHBondContact O-N 2.8Å; K55-A57 PolarHBondContact O-N 3.25Å; A57-S61 WeakPolarHBondContact O-CB 3.37Å; A57-S61 PolarHBondContact O-N 3.34Å; A57-S61 PolarHBondContact O-OG 2.88Å; A57-V111 HydrophobicContact CB-CG1 3.76Å; A57-Y123 WeakPolarHBondContact CA-OH 3.45Å; A57-Y123 HydrophobicContact CB-CE1 4.28Å; A57-Y123 HydrophobicContact CB-CE2 4.31Å; A57-Y123 PolarHBondContact O-OH 3.1Å
58Y98Very high98.1Very high161 Ų16158.2 Ų58.263%0.63128%0.279SS*.Hα-helixtrans-67.9-47179.6-57.7-37.2000111.4I54 K55 L56 F62I54-Y58 HydrophobicContact CG2-CE2 4.11Å; K55-Y58 PolarHBondContact O-N 3.49Å; L56-Y58 PolarHBondContact O-N 3.41Å; Y58-F62 WeakPolarHBondContact O-CB 3.36Å; Y58-F62 PolarHBondContact O-N 3.39Å
59F96.9Very high98.1Very high113 Ų11354.5 Ų54.550%0.49626%0.264SS..Hα-helixtrans-68.6-49.8-178.7-66.6-66.9000112.4K55 S61 F62 E63 Y269 Y285K55-F59 HydrophobicContact CB-CD2 4.4Å; K55-F59 HydrophobicContact CB-CE2 4.13Å; K55-F59 WeakPolarHBondContact O-CD2 3.41Å; K55-F59 PolarHBondContact O-N 2.83Å; K55-F59 VanDerWaalsContact O-N 3.16Å; F59-S61 VanDerWaalsContact C-N 3.35Å; F59-S61 PolarHBondContact O-N 2.82Å; F59-F62 WeakPolarHBondContact O-CB 3.44Å; F59-F62 PolarHBondContact O-N 2.91Å; F59-F62 VanDerWaalsContact O-N 3.17Å; F59-E63 WeakPolarHBondContact O-CG 3.26Å; F59-E63 PolarHBondContact O-N 2.8Å; F59-Y269 HydrophobicContact CB-CE1 4.01Å; F59-Y285 WeakPolarHBondContact CD2-OH 3.22Å
60S98.6Very high98.2Very high0 Ų054.5 Ų54.50%026%0.264CS..Hα-helixtrans-70-31.8-178.253.40000112.3L56 E63 V64 Y123 Y269L56-S60 PolarHBondContact O-N 3.17Å; L56-S60 PolarHBondContact O-OG 2.85Å; S60-E63 PolarHBondContact O-N 3.47Å; S60-V64 VanDerWaalsContact O-CG2 3.27Å; S60-V64 WeakPolarHBondContact O-CG2 3.32Å; S60-V64 PolarHBondContact O-N 3.13Å; S60-Y123 PolarHBondContact OG-OH 2.96Å; S60-Y269 VanDerWaalsContact CA-OH 3.22Å; S60-Y269 WeakPolarHBondContact CA-OH 3.44Å; S60-Y269 WeakPolarHBondContact CB-OH 3.49Å; S60-Y269 PolarHBondContact N-OH 3.15Å; S60-Y269 VanDerWaalsContact N-OH 3.1Å
61S98.8Very high98.2Very high26 Ų2651.3 Ų51.318%0.18225%0.249CC..Hα-helixtrans-66.5-39.9170.4-53.80000112A57 F59 E63 V64 F65 Y123A57-S61 WeakPolarHBondContact O-CB 3.37Å; A57-S61 PolarHBondContact O-N 3.34Å; A57-S61 PolarHBondContact O-OG 2.88Å; F59-S61 VanDerWaalsContact C-N 3.35Å; F59-S61 PolarHBondContact O-N 2.82Å; S61-E63 VanDerWaalsContact C-N 3.32Å; S61-E63 PolarHBondContact O-N 2.98Å; S61-V64 WeakPolarHBondContact O-CB 3.39Å; S61-V64 PolarHBondContact O-N 3.05Å; S61-F65 WeakPolarHBondContact O-CD2 3.26Å; S61-F65 PolarHBondContact O-N 2.85Å; S61-Y123 PolarHBondContact N-OH 2.8Å; S61-Y123 PolarHBondContact OG-OH 3.12Å
62F98.7Very high98.3Very high131 Ų13153.7 Ų53.758%0.57526%0.256SS*.Hα-helixtrans-59.4-44.4174.9167.8-98.2000111.4Y58 F59 V64 F65 L66Y58-F62 WeakPolarHBondContact O-CB 3.36Å; Y58-F62 PolarHBondContact O-N 3.39Å; F59-F62 WeakPolarHBondContact O-CB 3.44Å; F59-F62 PolarHBondContact O-N 2.91Å; F59-F62 VanDerWaalsContact O-N 3.17Å; F62-V64 PolarHBondContact O-N 3.23Å; F62-F65 PolarHBondContact O-N 3.48Å; F62-L66 HydrophobicContact CE1-CD2 4.18Å; F62-L66 HydrophobicContact CZ-CD2 4.34Å; F62-L66 WeakPolarHBondContact O-CB 3.11Å; F62-L66 PolarHBondContact O-N 2.84Å
63E98.8Very high98.3Very high22 Ų2257.6 Ų57.610%0.10326%0.263CS..Hα-helixtrans-59.5-42.9175.4-76.8-179.7159.900112.7F59 S60 S61 L66 Q67 I95 S98 L99 Y269F59-E63 WeakPolarHBondContact O-CG 3.26Å; F59-E63 PolarHBondContact O-N 2.8Å; S60-E63 PolarHBondContact O-N 3.47Å; S61-E63 VanDerWaalsContact C-N 3.32Å; S61-E63 PolarHBondContact O-N 2.98Å; E63-L66 PolarHBondContact O-N 3.39Å; E63-Q67 WeakPolarHBondContact O-CB 3.32Å; E63-Q67 WeakPolarHBondContact O-CG 3.19Å; E63-Q67 PolarHBondContact O-N 2.81Å; E63-I95 HydrophobicContact CB-CG2 3.67Å; E63-I95 HydrophobicContact CG-CG2 4.06Å; E63-S98 VanDerWaalsContact CD-OG 3.26Å; E63-S98 VanDerWaalsContact OE1-CB 3.31Å; E63-S98 WeakPolarHBondContact OE1-CB 2.98Å; E63-S98 PolarHBondContact OE1-OG 2.92Å; E63-S98 PolarHBondContact OE2-OG 2.87Å; E63-L99 HydrophobicContact CB-CD2 3.83Å; E63-L99 HydrophobicContact CB-CG 4.26Å; E63-L99 WeakPolarHBondContact OE2-CD2 3.43Å; E63-Y269 PolarHBondContact OE2-OH 3.44Å; E63-Y269 VanDerWaalsContact OE2-OH 3.05Å
64V98.9Very high98.3Very high0 Ų056.8 Ų56.80%026%0.258CS..Hα-helixtrans-58.1-50173.7171.50000111S60 S61 F62 L66 Q67 F68 L99 F126 I127 P130S60-V64 VanDerWaalsContact O-CG2 3.27Å; S60-V64 WeakPolarHBondContact O-CG2 3.32Å; S60-V64 PolarHBondContact O-N 3.13Å; S61-V64 WeakPolarHBondContact O-CB 3.39Å; S61-V64 PolarHBondContact O-N 3.05Å; F62-V64 PolarHBondContact O-N 3.23Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 2.76Å; V64-Q67 WeakPolarHBondContact O-CB 3.15Å; V64-Q67 PolarHBondContact O-N 3.38Å; V64-F68 HydrophobicContact CG1-CD2 3.77Å; V64-F68 HydrophobicContact CG1-CE2 3.44Å; V64-F68 VanDerWaalsContact CG1-CE2 3.44Å; V64-F68 WeakPolarHBondContact O-CD2 3.18Å; V64-F68 PolarHBondContact O-N 3.3Å; V64-L99 HydrophobicContact CG2-CD1 4.34Å; V64-L99 HydrophobicContact CG2-CD2 3.93Å; V64-F126 HydrophobicContact CB-CE1 4.43Å; V64-F126 HydrophobicContact CB-CZ 4.18Å; V64-F126 HydrophobicContact CG1-CE1 4.34Å; V64-F126 HydrophobicContact CG1-CE2 3.93Å; V64-F126 HydrophobicContact CG1-CZ 3.71Å; V64-F126 HydrophobicContact CG2-CE1 4.33Å; V64-F126 HydrophobicContact CG2-CZ 4.49Å; V64-I127 HydrophobicContact CG2-CB 4.03Å; V64-I127 HydrophobicContact CG2-CG2 4.05Å; V64-P130 HydrophobicContact CB-CG 4.22Å; V64-P130 HydrophobicContact CG1-CG 3.98Å; V64-P130 HydrophobicContact CG2-CG 4.05Å
65F98.8Very high98.3Very high120 Ų12054.7 Ų54.753%0.52625%0.25SC..Hα-helixtrans-65.1-37.4179.2-71.4-63000112.6S61 F62 Q67 F68 I69 F126S61-F65 WeakPolarHBondContact O-CD2 3.26Å; S61-F65 PolarHBondContact O-N 2.85Å; F62-F65 PolarHBondContact O-N 3.48Å; F65-Q67 VanDerWaalsContact C-N 3.32Å; F65-Q67 PolarHBondContact O-N 3.47Å; F65-F68 WeakPolarHBondContact O-CB 3.48Å; F65-F68 PolarHBondContact O-N 2.93Å; F65-I69 WeakPolarHBondContact O-CG1 3.47Å; F65-I69 PolarHBondContact O-N 2.57Å; F65-F126 HydrophobicContact CE2-CZ 4.47Å; F65-F126 HydrophobicContact CZ-CZ 4.39Å
66L98.7Very high98.4Very high59 Ų5954.4 Ų54.431%0.30925%0.252SS..Hα-helixtrans-61.5-43.2174.9-179.157.2000111.1F62 E63 V64 F68 I69 V70 I95F62-L66 HydrophobicContact CE1-CD2 4.18Å; F62-L66 HydrophobicContact CZ-CD2 4.34Å; F62-L66 WeakPolarHBondContact O-CB 3.11Å; F62-L66 PolarHBondContact O-N 2.84Å; E63-L66 PolarHBondContact O-N 3.39Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 2.76Å; L66-F68 VanDerWaalsContact C-N 3.32Å; L66-F68 PolarHBondContact O-N 3.41Å; L66-I69 PolarHBondContact O-N 3.35Å; L66-V70 HydrophobicContact CD1-CG2 4.42Å; L66-V70 WeakPolarHBondContact O-CG2 3.48Å; L66-V70 PolarHBondContact O-N 2.73Å; L66-I95 HydrophobicContact CB-CD1 4.5Å; L66-I95 HydrophobicContact CD2-CD1 3.66Å; L66-I95 HydrophobicContact CG-CD1 3.93Å
67Q98.7Very high98.4Very high0 Ų062.6 Ų62.60%028%0.284CS..Hα-helixtrans-59.1-42.3174.4-78.8-74.944.500112.4E63 V64 F65 V70 A71 S92 I95 N96 P130 Y226 F227E63-Q67 WeakPolarHBondContact O-CB 3.32Å; E63-Q67 WeakPolarHBondContact O-CG 3.19Å; E63-Q67 PolarHBondContact O-N 2.81Å; V64-Q67 WeakPolarHBondContact O-CB 3.15Å; V64-Q67 PolarHBondContact O-N 3.38Å; F65-Q67 VanDerWaalsContact C-N 3.32Å; F65-Q67 PolarHBondContact O-N 3.47Å; Q67-V70 PolarHBondContact O-N 3.49Å; Q67-A71 WeakPolarHBondContact O-CB 3.39Å; Q67-A71 PolarHBondContact O-N 3.23Å; Q67-S92 PolarHBondContact NE2-O 3.21Å; Q67-S92 PolarHBondContact NE2-OG 2.72Å; Q67-I95 HydrophobicContact CG-CB 3.98Å; Q67-I95 HydrophobicContact CG-CD1 4.23Å; Q67-I95 HydrophobicContact CG-CG2 3.47Å; Q67-I95 VanDerWaalsContact CG-CG2 3.47Å; Q67-N96 VanDerWaalsContact NE2-CG 3.34Å; Q67-N96 PolarHBondContact NE2-OD1 3.37Å; Q67-P130 HydrophobicContact CB-CB 3.79Å; Q67-P130 HydrophobicContact CB-CG 4.05Å; Q67-P130 HydrophobicContact CG-CB 3.92Å; Q67-P130 HydrophobicContact CG-CG 4.41Å; Q67-Y226 VanDerWaalsContact OE1-CZ 3.24Å; Q67-Y226 PolarHBondContact OE1-OH 3.43Å; Q67-F227 HydrophobicContact CB-CE1 4.02Å
68F98.4Very high98.4Very high59 Ų5969.8 Ų69.826%0.25932%0.317SS..Hα-helixtrans-64.3-40.2174.7-79.5-66.4000113.8V64 F65 L66 A71 L72 F211 I215 F227V64-F68 HydrophobicContact CG1-CD2 3.77Å; V64-F68 HydrophobicContact CG1-CE2 3.44Å; V64-F68 VanDerWaalsContact CG1-CE2 3.44Å; V64-F68 WeakPolarHBondContact O-CD2 3.18Å; V64-F68 PolarHBondContact O-N 3.3Å; F65-F68 WeakPolarHBondContact O-CB 3.48Å; F65-F68 PolarHBondContact O-N 2.93Å; L66-F68 VanDerWaalsContact C-N 3.32Å; L66-F68 PolarHBondContact O-N 3.41Å; F68-A71 PolarHBondContact O-N 3.42Å; F68-L72 WeakPolarHBondContact O-CB 3.35Å; F68-L72 PolarHBondContact O-N 2.93Å; F68-F211 HydrophobicContact CD1-CZ 4.49Å; F68-F211 AromaticContact CE1-CE2 3.31Å; F68-F211 HydrophobicContact CE1-CE2 3.31Å; F68-F211 AromaticContact CE1-CZ 3.25Å; F68-F211 HydrophobicContact CE1-CZ 3.25Å; F68-F211 HydrophobicContact CZ-CD2 4.48Å; F68-F211 AromaticContact CZ-CE2 3.26Å; F68-F211 HydrophobicContact CZ-CE2 3.26Å; F68-F211 AromaticContact CZ-CZ 3.3Å; F68-F211 HydrophobicContact CZ-CZ 3.3Å; F68-I215 HydrophobicContact CE1-CD1 4.22Å; F68-F227 HydrophobicContact CD1-CZ 4.3Å; F68-F227 HydrophobicContact CE1-CZ 4.45Å
69I98.7Very high98.4Very high78 Ų7863.7 Ų63.740%0.430%0.297SS..Hα-helixtrans-62.5-46.2177.9-70.2164000110.1F65 L66 L72 W73F65-I69 WeakPolarHBondContact O-CG1 3.47Å; F65-I69 PolarHBondContact O-N 2.57Å; L66-I69 PolarHBondContact O-N 3.35Å; I69-L72 PolarHBondContact O-N 3.49Å; I69-W73 HydrophobicContact CG2-CD2 4.2Å; I69-W73 HydrophobicContact CG2-CH2 4.22Å; I69-W73 HydrophobicContact CG2-CZ2 3.74Å; I69-W73 PolarHBondContact O-N 3.22Å
70V98.6Very high98.4Very high9 Ų962 Ų626%0.05530%0.299CS..Hα-helixtrans-67.9-40.9179.4178.60000111.1L66 Q67 L72 W73 I74 I91 Y226L66-V70 HydrophobicContact CD1-CG2 4.42Å; L66-V70 WeakPolarHBondContact O-CG2 3.48Å; L66-V70 PolarHBondContact O-N 2.73Å; Q67-V70 PolarHBondContact O-N 3.49Å; V70-L72 VanDerWaalsContact C-N 3.33Å; V70-L72 PolarHBondContact O-N 3.46Å; V70-W73 PolarHBondContact O-N 3.07Å; V70-I74 HydrophobicContact CG1-CD1 4.23Å; V70-I74 WeakPolarHBondContact O-CG1 3.08Å; V70-I74 PolarHBondContact O-N 2.96Å; V70-I91 HydrophobicContact CG1-CD1 4.32Å; V70-I91 HydrophobicContact CG1-CG2 4.49Å; V70-I91 HydrophobicContact CG2-CD1 4.5Å; V70-I91 HydrophobicContact CG2-CG2 4.26Å; V70-Y226 HydrophobicContact CG1-CE1 4.45Å; V70-Y226 HydrophobicContact CG1-CE2 3.93Å; V70-Y226 WeakPolarHBondContact CG1-OH 3.5Å
71A98.3Very high98.4Very high3 Ų370.1 Ų70.13%0.02533%0.33CS..Hα-helixtrans-59-43.3173.600000112Q67 F68 W73 I74 S75 T223 Y226 F227Q67-A71 WeakPolarHBondContact O-CB 3.39Å; Q67-A71 PolarHBondContact O-N 3.23Å; F68-A71 PolarHBondContact O-N 3.42Å; A71-W73 VanDerWaalsContact C-N 3.35Å; A71-W73 PolarHBondContact O-N 2.66Å; A71-I74 PolarHBondContact O-N 3.31Å; A71-S75 PolarHBondContact O-N 2.64Å; A71-T223 HydrophobicContact CB-CG2 3.64Å; A71-T223 WeakPolarHBondContact O-CG2 3.23Å; A71-Y226 HydrophobicContact CB-CD1 4.23Å; A71-Y226 HydrophobicContact CB-CE1 4.35Å; A71-F227 HydrophobicContact CB-CE1 3.91Å; A71-F227 HydrophobicContact CB-CE2 4Å; A71-F227 HydrophobicContact CB-CZ 3.37Å
72L98.3Very high98.3Very high73 Ų7373.8 Ų73.838%0.38235%0.347SS..Hα-helixtrans-62.5-41.4174.9-17963000111.6F68 I69 V70 S75 I76 F219F68-L72 WeakPolarHBondContact O-CB 3.35Å; F68-L72 PolarHBondContact O-N 2.93Å; I69-L72 PolarHBondContact O-N 3.49Å; V70-L72 VanDerWaalsContact C-N 3.33Å; V70-L72 PolarHBondContact O-N 3.46Å; L72-S75 WeakPolarHBondContact O-CB 3.5Å; L72-S75 PolarHBondContact O-N 3.01Å; L72-I76 HydrophobicContact CD1-CD1 3.87Å; L72-I76 HydrophobicContact CD1-CG1 4.24Å; L72-I76 HydrophobicContact CD2-CD1 4.44Å; L72-I76 HydrophobicContact CG-CD1 3.79Å; L72-I76 HydrophobicContact CG-CG1 4.49Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.49Å; L72-F219 HydrophobicContact CD1-CD1 3.92Å; L72-F219 HydrophobicContact CD1-CE1 3.65Å
73W98.3Very high98.3Very high145 Ų14571.6 Ų71.655%0.54934%0.34SS..Hα-helixtrans-64.4-40.5175.6-69.4-7.3000112.5I69 V70 A71 S75 I76 Y77I69-W73 HydrophobicContact CG2-CD2 4.2Å; I69-W73 HydrophobicContact CG2-CH2 4.22Å; I69-W73 HydrophobicContact CG2-CZ2 3.74Å; I69-W73 PolarHBondContact O-N 3.22Å; V70-W73 PolarHBondContact O-N 3.07Å; A71-W73 VanDerWaalsContact C-N 3.35Å; A71-W73 PolarHBondContact O-N 2.66Å; W73-S75 VanDerWaalsContact C-N 3.28Å; W73-S75 PolarHBondContact O-N 3.4Å; W73-I76 PolarHBondContact O-N 3.14Å; W73-Y77 HydrophobicContact CB-CD2 4.1Å; W73-Y77 HydrophobicContact CB-CE2 4.45Å; W73-Y77 HydrophobicContact CG-CD2 4.49Å; W73-Y77 HydrophobicContact CG-CE2 4.36Å; W73-Y77 WeakPolarHBondContact O-CB 3.48Å; W73-Y77 VanDerWaalsContact O-CD2 3.31Å; W73-Y77 WeakPolarHBondContact O-CD2 3.4Å; W73-Y77 PolarHBondContact O-N 2.86Å
74I98.4Very high98.3Very high6 Ų671.7 Ų71.73%0.03134%0.34CS..Hα-helixtrans-59.4-43.9174.1-73.4169000110.4V70 A71 Q78 P79 L87 Y226V70-I74 HydrophobicContact CG1-CD1 4.23Å; V70-I74 WeakPolarHBondContact O-CG1 3.08Å; V70-I74 PolarHBondContact O-N 2.96Å; A71-I74 PolarHBondContact O-N 3.31Å; I74-Q78 WeakPolarHBondContact O-CA 3.41Å; I74-Q78 PolarHBondContact O-N 2.92Å; I74-P79 HydrophobicContact CG1-CG 4.35Å; I74-P79 WeakPolarHBondContact O-CD 3.26Å; I74-L87 HydrophobicContact CG1-CD1 4.48Å; I74-Y226 HydrophobicContact CD1-CD1 4.22Å; I74-Y226 HydrophobicContact CD1-CD2 3.17Å; I74-Y226 HydrophobicContact CD1-CE2 3.58Å; I74-Y226 HydrophobicContact CD1-CG 3.52Å
75S98.4Very high98.3Very high25 Ų2575 Ų7518%0.17536%0.357CS..Hα-helixtrans-62.6-47.3178.5-171.60000112.9A71 L72 W73 Q78 F219 T223A71-S75 PolarHBondContact O-N 2.64Å; L72-S75 WeakPolarHBondContact O-CB 3.5Å; L72-S75 PolarHBondContact O-N 3.01Å; W73-S75 VanDerWaalsContact C-N 3.28Å; W73-S75 PolarHBondContact O-N 3.4Å; S75-Q78 WeakPolarHBondContact O-CG 3.32Å; S75-F219 WeakPolarHBondContact CB-O 3.38Å; S75-F219 WeakPolarHBondContact OG-CA 3.32Å; S75-F219 WeakPolarHBondContact OG-CB 3.21Å; S75-F219 PolarHBondContact OG-O 3.15Å; S75-T223 WeakPolarHBondContact CB-OG1 3.26Å
76I98.5Very high98.3Very high104 Ų10475.5 Ų75.553%0.53336%0.359SS..Hα-helixtrans-72.1-48.4-176.9-67.7170.3000111.7L72 W73L72-I76 HydrophobicContact CD1-CD1 3.87Å; L72-I76 HydrophobicContact CD1-CG1 4.24Å; L72-I76 HydrophobicContact CD2-CD1 4.44Å; L72-I76 HydrophobicContact CG-CD1 3.79Å; L72-I76 HydrophobicContact CG-CG1 4.49Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.49Å; W73-I76 PolarHBondContact O-N 3.14Å
77Y98Very high98.3Very high173 Ų17374.5 Ų74.568%0.67835%0.354SS*.Hα-helixtrans-92.1-15-169.7-66-71.2000114W73W73-Y77 HydrophobicContact CB-CD2 4.1Å; W73-Y77 HydrophobicContact CB-CE2 4.45Å; W73-Y77 HydrophobicContact CG-CD2 4.49Å; W73-Y77 HydrophobicContact CG-CE2 4.36Å; W73-Y77 WeakPolarHBondContact O-CB 3.48Å; W73-Y77 VanDerWaalsContact O-CD2 3.31Å; W73-Y77 WeakPolarHBondContact O-CD2 3.4Å; W73-Y77 PolarHBondContact O-N 2.86Å
78Q97.2Very high98.3Very high159 Ų15974.5 Ų74.574%0.74335%0.354SS*.  trans45.863177.7-58.3-174.310.500112.7I74 S75I74-Q78 WeakPolarHBondContact O-CA 3.41Å; I74-Q78 PolarHBondContact O-N 2.92Å; S75-Q78 WeakPolarHBondContact O-CG 3.32Å
79P97.7Very high98.3Very high33 Ų3375.6 Ų75.621%0.21436%0.357CS..  trans-59.8155.8-176.927-35000111.6I74 L83 W84I74-P79 HydrophobicContact CG1-CG 4.35Å; I74-P79 WeakPolarHBondContact O-CD 3.26Å; P79-L83 HydrophobicContact CB-CB 4.1Å; P79-L83 HydrophobicContact CB-CD2 3.71Å; P79-L83 HydrophobicContact CB-CG 3.89Å; P79-W84 HydrophobicContact CG-CB 4.26Å
80S98.2Very high98.3Very high77 Ų7774.2 Ų74.254%0.53835%0.352SS..  trans-53.8152.3171.772.80000111.3L82 L83 W84S80-L82 PolarHBondContact O-N 2.8Å; S80-L82 VanDerWaalsContact O-N 3.12Å; S80-L83 PolarHBondContact O-N 3.42Å; S80-W84 PolarHBondContact O-N 3.15Å
81W97.4Very high98.3Very high171 Ų17176.1 Ų76.165%0.64836%0.362SS*.Hα-helixtrans-56-34.3-17676.5-91000113.5L85W81-L85 HydrophobicContact CZ3-CD2 4.2Å; W81-L85 WeakPolarHBondContact O-CB 3.45Å; W81-L85 PolarHBondContact O-N 3.4Å
82L98.4Very high98.3Very high103 Ų10376 Ų7654%0.53936%0.36SS..Hα-helixtrans-67.4-44.7176.3-77173.3000112S80 L85 F86S80-L82 PolarHBondContact O-N 2.8Å; S80-L82 VanDerWaalsContact O-N 3.12Å; L82-L85 PolarHBondContact O-N 3.1Å; L82-F86 WeakPolarHBondContact O-CB 3.1Å; L82-F86 PolarHBondContact O-N 3.16Å
83L98.4Very high98.4Very high84 Ų8472.5 Ų72.544%0.4434%0.342SS..Hα-helixtrans-67.6-41176.917858.6000110.6P79 S80 L85 F86 L87P79-L83 HydrophobicContact CB-CB 4.1Å; P79-L83 HydrophobicContact CB-CD2 3.71Å; P79-L83 HydrophobicContact CB-CG 3.89Å; S80-L83 PolarHBondContact O-N 3.42Å; L83-L85 VanDerWaalsContact C-N 3.35Å; L83-L85 PolarHBondContact O-N 3.26Å; L83-F86 HydrophobicContact CD1-CD1 4.39Å; L83-F86 PolarHBondContact O-N 2.91Å; L83-L87 HydrophobicContact CD1-CD1 4.22Å; L83-L87 HydrophobicContact CD1-CG 4.11Å; L83-L87 HydrophobicContact CG-CD1 4.08Å; L83-L87 HydrophobicContact CG-CG 4.43Å; L83-L87 WeakPolarHBondContact O-CB 3.39Å; L83-L87 VanDerWaalsContact O-CG 3.25Å; L83-L87 WeakPolarHBondContact O-CG 3.48Å; L83-L87 PolarHBondContact O-N 3.42Å
84W98.6Very high98.4Very high24 Ų2467 Ų679%0.09133%0.325CS..Hα-helixtrans-57.1-47.3172.8175.387.7000111.6P79 S80 F86 L87 T88 W222 A225 I229P79-W84 HydrophobicContact CG-CB 4.26Å; S80-W84 PolarHBondContact O-N 3.15Å; W84-F86 PolarHBondContact O-N 3.3Å; W84-L87 PolarHBondContact O-N 3.24Å; W84-T88 HydrophobicContact CH2-CG2 4.39Å; W84-T88 HydrophobicContact CZ2-CG2 4.44Å; W84-T88 VanDerWaalsContact O-CB 3.29Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 3.06Å; W84-T88 PolarHBondContact O-OG1 2.88Å; W84-W222 HydrophobicContact CD2-CE3 4.19Å; W84-W222 HydrophobicContact CE3-CE3 4.45Å; W84-W222 HydrophobicContact CE3-CZ3 4.46Å; W84-W222 HydrophobicContact CH2-CE3 4.43Å; W84-W222 HydrophobicContact CH2-CZ3 4.47Å; W84-W222 HydrophobicContact CZ2-CE3 4.13Å; W84-W222 HydrophobicContact CZ3-CZ3 4.38Å; W84-W222 PolarHBondContact NE1-O 3.39Å; W84-A225 HydrophobicContact CH2-CB 4.18Å; W84-A225 HydrophobicContact CZ2-CB 3.63Å; W84-I229 HydrophobicContact CH2-CB 4.23Å; W84-I229 HydrophobicContact CH2-CG1 4.22Å; W84-I229 HydrophobicContact CH2-CG2 4.32Å
85L98.7Very high98.4Very high70 Ų7067.5 Ų67.537%0.36633%0.327SS..Hα-helixtrans-64.4-42.1179.3179.861.6000111.4W81 L82 L83 T88 Y89 L233W81-L85 HydrophobicContact CZ3-CD2 4.2Å; W81-L85 WeakPolarHBondContact O-CB 3.45Å; W81-L85 PolarHBondContact O-N 3.4Å; L82-L85 PolarHBondContact O-N 3.1Å; L83-L85 VanDerWaalsContact C-N 3.35Å; L83-L85 PolarHBondContact O-N 3.26Å; L85-T88 PolarHBondContact O-N 2.95Å; L85-Y89 WeakPolarHBondContact O-CB 3.47Å; L85-Y89 PolarHBondContact O-N 3.29Å; L85-L233 HydrophobicContact CD1-CD1 4.34Å
86F98.6Very high98.4Very high130 Ų13066.3 Ų66.357%0.5732%0.319SS*.Hα-helixtrans-59.7-48.9175.4175.4-97.9000111.8L82 L83 W84 T88 Y89 T90L82-F86 WeakPolarHBondContact O-CB 3.1Å; L82-F86 PolarHBondContact O-N 3.16Å; L83-F86 HydrophobicContact CD1-CD1 4.39Å; L83-F86 PolarHBondContact O-N 2.91Å; W84-F86 PolarHBondContact O-N 3.3Å; F86-T88 VanDerWaalsContact C-N 3.33Å; F86-T88 PolarHBondContact O-N 3.41Å; F86-Y89 PolarHBondContact O-N 3.06Å; F86-T90 HydrophobicContact CD2-CG2 4.02Å; F86-T90 HydrophobicContact CE1-CG2 4.49Å; F86-T90 HydrophobicContact CE2-CG2 3.7Å; F86-T90 HydrophobicContact CZ-CG2 3.95Å; F86-T90 WeakPolarHBondContact O-CB 3.42Å; F86-T90 WeakPolarHBondContact O-CG2 3.33Å; F86-T90 PolarHBondContact O-N 2.7Å; F86-T90 PolarHBondContact O-OG1 2.95Å
87L98.6Very high98.4Very high38 Ų3861.4 Ų61.420%0.19929%0.294CS..Hα-helixtrans-63.1-40.4176.6-66.8170.7000111.4I74 L83 W84 I91 S92I74-L87 HydrophobicContact CG1-CD1 4.48Å; L83-L87 HydrophobicContact CD1-CD1 4.22Å; L83-L87 HydrophobicContact CD1-CG 4.11Å; L83-L87 HydrophobicContact CG-CD1 4.08Å; L83-L87 HydrophobicContact CG-CG 4.43Å; L83-L87 WeakPolarHBondContact O-CB 3.39Å; L83-L87 VanDerWaalsContact O-CG 3.25Å; L83-L87 WeakPolarHBondContact O-CG 3.48Å; L83-L87 PolarHBondContact O-N 3.42Å; W84-L87 PolarHBondContact O-N 3.24Å; L87-I91 HydrophobicContact CD2-CD1 3.61Å; L87-I91 HydrophobicContact CD2-CG1 4.41Å; L87-I91 WeakPolarHBondContact O-CA 3.42Å; L87-I91 VanDerWaalsContact O-CB 3.28Å; L87-I91 WeakPolarHBondContact O-CB 3.32Å; L87-I91 PolarHBondContact O-N 3.44Å; L87-S92 PolarHBondContact O-N 3.4Å
88T98.8Very high98.5Very high0 Ų053.2 Ų53.20%026%0.262CS..Iπ-helixtrans-62.7-46.8177.7-58.50000111.3W84 L85 F86 S92 G93 I229 L233W84-T88 HydrophobicContact CH2-CG2 4.39Å; W84-T88 HydrophobicContact CZ2-CG2 4.44Å; W84-T88 VanDerWaalsContact O-CB 3.29Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 3.06Å; W84-T88 PolarHBondContact O-OG1 2.88Å; L85-T88 PolarHBondContact O-N 2.95Å; F86-T88 VanDerWaalsContact C-N 3.33Å; F86-T88 PolarHBondContact O-N 3.41Å; T88-S92 CarbonylContact O-C 3.37Å; T88-S92 WeakPolarHBondContact O-CA 3.48Å; T88-S92 WeakPolarHBondContact O-CB 3.24Å; T88-S92 PolarHBondContact O-N 2.71Å; T88-G93 PolarHBondContact O-N 3.18Å; T88-I229 HydrophobicContact CG2-CB 4.07Å; T88-I229 HydrophobicContact CG2-CG2 4.03Å; T88-L233 HydrophobicContact CG2-CD1 4.29Å
89Y98.7Very high98.5Very high83 Ų8345.6 Ų45.633%0.32523%0.226SC..Iπ-helixtrans-68.4-49.8178.8-176.2-100.5000111.9L85 F86 G93 L233 L237L85-Y89 WeakPolarHBondContact O-CB 3.47Å; L85-Y89 PolarHBondContact O-N 3.29Å; F86-Y89 PolarHBondContact O-N 3.06Å; Y89-G93 WeakPolarHBondContact O-CA 3.32Å; Y89-L233 HydrophobicContact CD2-CB 3.97Å; Y89-L233 HydrophobicContact CD2-CD1 4.1Å; Y89-L233 HydrophobicContact CD2-CD2 4.37Å; Y89-L233 HydrophobicContact CD2-CG 4.37Å; Y89-L233 HydrophobicContact CE2-CB 4.49Å; Y89-L237 WeakPolarHBondContact CE2-O 3.25Å; Y89-L237 PolarHBondContact OH-O 3.48Å
90T98.5Very high98.6Very high48 Ų4844.9 Ų44.929%0.29422%0.224SC..Iπ-helixtrans-80.6-40.5-170.157.60000113.7F86 T94F86-T90 HydrophobicContact CD2-CG2 4.02Å; F86-T90 HydrophobicContact CE1-CG2 4.49Å; F86-T90 HydrophobicContact CE2-CG2 3.7Å; F86-T90 HydrophobicContact CZ-CG2 3.95Å; F86-T90 WeakPolarHBondContact O-CB 3.42Å; F86-T90 WeakPolarHBondContact O-CG2 3.33Å; F86-T90 PolarHBondContact O-N 2.7Å; F86-T90 PolarHBondContact O-OG1 2.95Å; T90-T94 WeakPolarHBondContact O-CB 3.26Å; T90-T94 PolarHBondContact O-OG1 3.26Å
91I98.7Very high98.6Very high49 Ų4941.3 Ų41.325%0.25120%0.2SC..Iπ-helixtrans-94.3-59.3-178.8-54-177000109.6V70 L87 G93 T94 I95 Y226V70-I91 HydrophobicContact CG1-CD1 4.32Å; V70-I91 HydrophobicContact CG1-CG2 4.49Å; V70-I91 HydrophobicContact CG2-CD1 4.5Å; V70-I91 HydrophobicContact CG2-CG2 4.26Å; L87-I91 HydrophobicContact CD2-CD1 3.61Å; L87-I91 HydrophobicContact CD2-CG1 4.41Å; L87-I91 WeakPolarHBondContact O-CA 3.42Å; L87-I91 VanDerWaalsContact O-CB 3.28Å; L87-I91 WeakPolarHBondContact O-CB 3.32Å; L87-I91 PolarHBondContact O-N 3.44Å; I91-G93 PolarHBondContact O-N 3.22Å; I91-T94 PolarHBondContact O-N 3.39Å; I91-I95 HydrophobicContact CG2-CD1 3.69Å; I91-I95 WeakPolarHBondContact O-CB 3.36Å; I91-I95 WeakPolarHBondContact O-CG1 3.35Å; I91-I95 PolarHBondContact O-N 3.23Å; I91-Y226 WeakPolarHBondContact CG2-OH 3.12Å
92S98.8Very high98.7Very high0 Ų033.2 Ų33.20%017%0.169CC..Iπ-helixtrans-64.8-45.9-174.6-159.30000111.8Q67 L87 T88 T94 I95 N96 Y226Q67-S92 PolarHBondContact NE2-O 3.21Å; Q67-S92 PolarHBondContact NE2-OG 2.72Å; L87-S92 PolarHBondContact O-N 3.4Å; T88-S92 CarbonylContact O-C 3.37Å; T88-S92 WeakPolarHBondContact O-CA 3.48Å; T88-S92 WeakPolarHBondContact O-CB 3.24Å; T88-S92 PolarHBondContact O-N 2.71Å; S92-T94 PolarHBondContact O-N 3.01Å; S92-I95 PolarHBondContact O-N 2.9Å; S92-N96 WeakPolarHBondContact O-CB 3.28Å; S92-N96 PolarHBondContact O-N 3.45Å; S92-Y226 VanDerWaalsContact CB-CE2 3.48Å; S92-Y226 VanDerWaalsContact CB-CZ 3.47Å; S92-Y226 VanDerWaalsContact CB-O 3.32Å; S92-Y226 WeakPolarHBondContact CB-O 3.48Å; S92-Y226 PolarHBondContact OG-O 3.07Å
93G98.7Very high98.7Very high0 Ų028.4 Ų28.40%014%0.144CC..Iπ-helixtrans-58.4-48.9177.200000112.6T88 Y89 I91 H97 G230 G234T88-G93 PolarHBondContact O-N 3.18Å; Y89-G93 WeakPolarHBondContact O-CA 3.32Å; I91-G93 PolarHBondContact O-N 3.22Å; G93-H97 WeakPolarHBondContact O-CB 3.29Å; G93-H97 PolarHBondContact O-N 2.68Å; G93-G230 VanDerWaalsContact CA-O 3.26Å; G93-G230 WeakPolarHBondContact CA-O 3.1Å; G93-G234 WeakPolarHBondContact O-CA 3.41Å
94T98.8Very high98.7Very high29 Ų2924.6 Ų24.618%0.17812%0.124CC..Hα-helixtrans-62.8-49.7178.6-57.90000112.1T90 I91 S92 H97 S98 H238 L240 L267T90-T94 WeakPolarHBondContact O-CB 3.26Å; T90-T94 PolarHBondContact O-OG1 3.26Å; I91-T94 PolarHBondContact O-N 3.39Å; S92-T94 PolarHBondContact O-N 3.01Å; T94-H97 PolarHBondContact O-N 2.77Å; T94-S98 PolarHBondContact O-N 2.87Å; T94-H238 PolarHBondContact OG1-NE2 3.15Å; T94-L240 HydrophobicContact CG2-CD1 4.18Å; T94-L267 HydrophobicContact CG2-CD1 3.7Å
95I98.8Very high98.7Very high17 Ų1723.6 Ų23.69%0.08712%0.12CC..Hα-helixtrans-71.5-41.5-176-62.3172.9000110.8E63 L66 Q67 I91 S92 H97 S98 L99E63-I95 HydrophobicContact CB-CG2 3.67Å; E63-I95 HydrophobicContact CG-CG2 4.06Å; L66-I95 HydrophobicContact CB-CD1 4.5Å; L66-I95 HydrophobicContact CD2-CD1 3.66Å; L66-I95 HydrophobicContact CG-CD1 3.93Å; Q67-I95 HydrophobicContact CG-CB 3.98Å; Q67-I95 HydrophobicContact CG-CD1 4.23Å; Q67-I95 HydrophobicContact CG-CG2 3.47Å; Q67-I95 VanDerWaalsContact CG-CG2 3.47Å; I91-I95 HydrophobicContact CG2-CD1 3.69Å; I91-I95 WeakPolarHBondContact O-CB 3.36Å; I91-I95 WeakPolarHBondContact O-CG1 3.35Å; I91-I95 PolarHBondContact O-N 3.23Å; S92-I95 PolarHBondContact O-N 2.9Å; I95-H97 VanDerWaalsContact C-N 3.27Å; I95-H97 PolarHBondContact O-N 2.58Å; I95-S98 CarbonylContact O-C 3.59Å; I95-S98 WeakPolarHBondContact O-CB 3.48Å; I95-S98 PolarHBondContact O-N 3.44Å; I95-S98 VanDerWaalsContact O-N 3.15Å; I95-L99 HydrophobicContact CG2-CD1 3.97Å; I95-L99 HydrophobicContact CG2-CG 4.15Å; I95-L99 WeakPolarHBondContact O-CB 3.41Å; I95-L99 VanDerWaalsContact O-CG 3.31Å; I95-L99 WeakPolarHBondContact O-CG 3.39Å; I95-L99 PolarHBondContact O-N 3.08Å
96N98.8Very high98.7Very high0 Ų020.3 Ų20.30%010%0.103CC..Hα-helixtrans-66.8-31177-74.8-4.7000112.3Q67 S92 G100 P130 M131 F227 T231Q67-N96 VanDerWaalsContact NE2-CG 3.34Å; Q67-N96 PolarHBondContact NE2-OD1 3.37Å; S92-N96 WeakPolarHBondContact O-CB 3.28Å; S92-N96 PolarHBondContact O-N 3.45Å; N96-G100 PolarHBondContact O-N 3.49Å; N96-P130 PolarHBondContact ND2-O 3.08Å; N96-P130 PolarHBondContact OD1-O 2.97Å; N96-M131 HydrophobicContact CB-CG 4.38Å; N96-F227 PolarHBondContact ND2-O 3.13Å; N96-T231 PolarHBondContact ND2-OG1 3.41Å
97H98.6Very high98.6Very high2 Ų214.2 Ų14.21%0.0098%0.077CC..Hα-helixtrans-63.7-48.9169.5-170.198.2000111G93 T94 I95 L99 G100 C101 G234 L240 S241 H243 F244G93-H97 WeakPolarHBondContact O-CB 3.29Å; G93-H97 PolarHBondContact O-N 2.68Å; T94-H97 PolarHBondContact O-N 2.77Å; I95-H97 VanDerWaalsContact C-N 3.27Å; I95-H97 PolarHBondContact O-N 2.58Å; H97-L99 VanDerWaalsContact C-N 3.33Å; H97-L99 PolarHBondContact O-N 3.07Å; H97-G100 WeakPolarHBondContact O-CA 3.14Å; H97-G100 PolarHBondContact O-N 3.09Å; H97-C101 PolarHBondContact O-N 2.78Å; H97-C101 VanDerWaalsContact O-N 3.09Å; H97-G234 PolarHBondContact ND1-O 3.21Å; H97-L240 HydrophobicContact CB-CD1 4.27Å; H97-L240 WeakPolarHBondContact CD2-CB 3.15Å; H97-L240 VanDerWaalsContact NE2-CB 3.32Å; H97-L240 WeakPolarHBondContact NE2-CB 3.32Å; H97-S241 PolarHBondContact CE1-N 3.46Å; H97-H243 AromaticContact CE1-CD2 3.33Å; H97-H243 PolarHBondContact CE1-CD2 3.27Å; H97-H243 AromaticContact CE1-NE2 3.24Å; H97-H243 PolarHBondContact CE1-NE2 3.05Å; H97-H243 AromaticContact NE2-CD2 3.06Å; H97-H243 PolarHBondContact NE2-CD2 2.92Å; H97-H243 AromaticContact NE2-NE2 3.14Å; H97-H243 PolarHBondContact NE2-NE2 3.3Å; H97-H243 VanDerWaalsContact NE2-NE2 3.14Å; H97-F244 AromaticContact CE1-CE2 3.9Å
98S98.8Very high98.6Very high0 Ų012.4 Ų12.40%07%0.067CC..Hα-helixtrans-55.5-45.6174.5-1720000112.3E63 T94 I95 G100 C101 A102 L267 Y269E63-S98 VanDerWaalsContact CD-OG 3.26Å; E63-S98 VanDerWaalsContact OE1-CB 3.31Å; E63-S98 WeakPolarHBondContact OE1-CB 2.98Å; E63-S98 PolarHBondContact OE1-OG 2.92Å; E63-S98 PolarHBondContact OE2-OG 2.87Å; T94-S98 PolarHBondContact O-N 2.87Å; I95-S98 CarbonylContact O-C 3.59Å; I95-S98 WeakPolarHBondContact O-CB 3.48Å; I95-S98 PolarHBondContact O-N 3.44Å; I95-S98 VanDerWaalsContact O-N 3.15Å; S98-G100 VanDerWaalsContact C-N 3.27Å; S98-G100 PolarHBondContact O-N 3.28Å; S98-C101 CarbonylContact O-C 3.54Å; S98-C101 WeakPolarHBondContact O-CA 3.49Å; S98-C101 WeakPolarHBondContact O-CB 3.26Å; S98-C101 PolarHBondContact O-N 2.81Å; S98-A102 PolarHBondContact O-N 3.37Å; S98-L267 VanDerWaalsContact CA-O 3.24Å; S98-L267 WeakPolarHBondContact CA-O 3.43Å; S98-L267 WeakPolarHBondContact CB-O 3.38Å; S98-L267 PolarHBondContact OG-O 3.24Å; S98-Y269 WeakPolarHBondContact O-CE2 3.33Å; S98-Y269 VanDerWaalsContact OG-CE2 3.28Å; S98-Y269 WeakPolarHBondContact OG-CE2 3.44Å
99L98.9Very high98.6Very high0 Ų013 Ų130%07%0.071CC..Hα-helixtrans-63.2-31.6175.4-69.2172000112.3E63 V64 I95 H97 A102 I103 I127 P130E63-L99 HydrophobicContact CB-CD2 3.83Å; E63-L99 HydrophobicContact CB-CG 4.26Å; E63-L99 WeakPolarHBondContact OE2-CD2 3.43Å; V64-L99 HydrophobicContact CG2-CD1 4.34Å; V64-L99 HydrophobicContact CG2-CD2 3.93Å; I95-L99 HydrophobicContact CG2-CD1 3.97Å; I95-L99 HydrophobicContact CG2-CG 4.15Å; I95-L99 WeakPolarHBondContact O-CB 3.41Å; I95-L99 VanDerWaalsContact O-CG 3.31Å; I95-L99 WeakPolarHBondContact O-CG 3.39Å; I95-L99 PolarHBondContact O-N 3.08Å; H97-L99 VanDerWaalsContact C-N 3.33Å; H97-L99 PolarHBondContact O-N 3.07Å; L99-A102 WeakPolarHBondContact O-CB 3.42Å; L99-A102 PolarHBondContact O-N 3.22Å; L99-I103 WeakPolarHBondContact O-CG1 3.24Å; L99-I103 PolarHBondContact O-N 3.46Å; L99-I127 HydrophobicContact CD2-CB 4.2Å; L99-P130 HydrophobicContact CD1-CB 4.06Å; L99-P130 HydrophobicContact CD1-CG 3.94Å
100G98.4Very high98.5Very high17 Ų179.2 Ų9.218%0.1756%0.056CC..Hα-helixtrans-60.7-47.1168.900000112.2N96 H97 S98 A102 I103 H104N96-G100 PolarHBondContact O-N 3.49Å; H97-G100 WeakPolarHBondContact O-CA 3.14Å; H97-G100 PolarHBondContact O-N 3.09Å; S98-G100 VanDerWaalsContact C-N 3.27Å; S98-G100 PolarHBondContact O-N 3.28Å; G100-A102 VanDerWaalsContact C-N 3.3Å; G100-A102 PolarHBondContact O-N 2.96Å; G100-I103 WeakPolarHBondContact O-CB 3.18Å; G100-I103 PolarHBondContact O-N 3.23Å; G100-H104 PolarHBondContact O-N 2.99Å
101C98.7Very high98.5Very high3 Ų37.1 Ų7.12%0.024%0.043CC..Hα-helixtrans-64-33.6172.9-57.20000112.2H97 S98 H104 E105 Y269 L271H97-C101 PolarHBondContact O-N 2.78Å; H97-C101 VanDerWaalsContact O-N 3.09Å; S98-C101 CarbonylContact O-C 3.54Å; S98-C101 WeakPolarHBondContact O-CA 3.49Å; S98-C101 WeakPolarHBondContact O-CB 3.26Å; S98-C101 PolarHBondContact O-N 2.81Å; C101-H104 VanDerWaalsContact O-CB 3.31Å; C101-H104 WeakPolarHBondContact O-CB 3.49Å; C101-H104 PolarHBondContact O-N 3.45Å; C101-E105 PolarHBondContact O-N 2.99Å; C101-Y269 HydrophobicContact CB-CD2 4.04Å; C101-L271 HydrophobicContact CB-CD2 4.35Å
102A98.8Very high98.5Very high0 Ų08 Ų80%05%0.045CC..Hα-helixtrans-67.1-42.4172.500000111.8L56 S98 L99 G100 H104 E105 V106 I127 Y269L56-A102 HydrophobicContact CD1-CB 4.11Å; S98-A102 PolarHBondContact O-N 3.37Å; L99-A102 WeakPolarHBondContact O-CB 3.42Å; L99-A102 PolarHBondContact O-N 3.22Å; G100-A102 VanDerWaalsContact C-N 3.3Å; G100-A102 PolarHBondContact O-N 2.96Å; A102-H104 PolarHBondContact O-N 3.26Å; A102-E105 PolarHBondContact O-N 3.38Å; A102-E105 VanDerWaalsContact O-N 3.16Å; A102-V106 WeakPolarHBondContact O-CG2 3.39Å; A102-V106 PolarHBondContact O-N 3.42Å; A102-I127 HydrophobicContact CB-CD1 3.79Å; A102-Y269 HydrophobicContact CB-CD2 4.15Å; A102-Y269 HydrophobicContact CB-CE2 3.67Å
103I98.8Very high98.4Very high3 Ų38.5 Ų8.52%0.0155%0.05CC..Hα-helixtrans-58.5-37.6174.4-75.4170.3000110.8L99 G100 V106 G107 I127 N128 M131 A136 Y139L99-I103 WeakPolarHBondContact O-CG1 3.24Å; L99-I103 PolarHBondContact O-N 3.46Å; G100-I103 WeakPolarHBondContact O-CB 3.18Å; G100-I103 PolarHBondContact O-N 3.23Å; I103-V106 PolarHBondContact O-N 2.8Å; I103-G107 PolarHBondContact O-N 3.15Å; I103-I127 HydrophobicContact CG1-CD1 3.79Å; I103-I127 HydrophobicContact CG1-CG1 3.83Å; I103-N128 HydrophobicContact CD1-CB 3.9Å; I103-M131 HydrophobicContact CD1-SD 3.58Å; I103-M131 VanDerWaalsContact CD1-SD 3.58Å; I103-A136 HydrophobicContact CD1-CB 4.13Å; I103-A136 HydrophobicContact CG1-CB 4.42Å; I103-A136 HydrophobicContact CG2-CB 4.22Å; I103-Y139 HydrophobicContact CG2-CD1 3.84Å; I103-Y139 HydrophobicContact CG2-CG 4.24Å
104H98.4Very high98.3Very high4 Ų413.7 Ų13.72%0.0197%0.074CC..Hα-helixtrans-55-54.7171.7162-80.4000112.4G100 C101 A102 V106 G107 H108 Y139 H143 L271 H277G100-H104 PolarHBondContact O-N 2.99Å; C101-H104 VanDerWaalsContact O-CB 3.31Å; C101-H104 WeakPolarHBondContact O-CB 3.49Å; C101-H104 PolarHBondContact O-N 3.45Å; A102-H104 PolarHBondContact O-N 3.26Å; H104-V106 VanDerWaalsContact C-N 3.34Å; H104-V106 PolarHBondContact O-N 3.32Å; H104-G107 WeakPolarHBondContact O-CA 3.29Å; H104-G107 PolarHBondContact O-N 2.98Å; H104-H108 AromaticContact NE2-NE2 3.86Å; H104-H108 PolarHBondContact O-N 3.41Å; H104-Y139 HydrophobicContact CB-CE1 3.84Å; H104-Y139 PolarHBondContact CD2-OH 3.44Å; H104-H143 AromaticContact CD2-CD2 3.78Å; H104-H143 AromaticContact CD2-CE1 3.33Å; H104-H143 PolarHBondContact CD2-CE1 2.83Å; H104-H143 AromaticContact CD2-NE2 3.09Å; H104-H143 PolarHBondContact CD2-NE2 3.18Å; H104-H143 AromaticContact NE2-CE1 3.44Å; H104-H143 PolarHBondContact NE2-CE1 3.28Å; H104-H143 AromaticContact NE2-NE2 3.15Å; H104-H143 PolarHBondContact NE2-NE2 3.28Å; H104-H143 VanDerWaalsContact NE2-NE2 3.15Å; H104-L271 VanDerWaalsContact CE1-CD1 3.42Å; H104-L271 WeakPolarHBondContact CE1-CD1 3.38Å; H104-H277 AromaticContact CE1-CD2 3.76Å; H104-H277 AromaticContact CE1-CE1 3.37Å; H104-H277 PolarHBondContact CE1-CE1 3.48Å; H104-H277 AromaticContact CE1-ND1 3.88Å; H104-H277 AromaticContact CE1-NE2 3.3Å; H104-H277 PolarHBondContact CE1-NE2 2.86Å; H104-H277 VanDerWaalsContact CE1-NE2 3.3Å; H104-H277 AromaticContact NE2-CD2 3.63Å; H104-H277 AromaticContact NE2-CE1 3.72Å; H104-H277 AromaticContact NE2-NE2 3.16Å; H104-H277 PolarHBondContact NE2-NE2 3.25Å; H104-H277 VanDerWaalsContact NE2-NE2 3.16Å
105E98.3Very high98.2Very high2 Ų220.7 Ų20.71%0.00910%0.102CC..Hα-helixtrans-61-41.9178.7-71.1-70.598.700112.4L56 C101 A102 G107 H108 L110 Y285L56-E105 HydrophobicContact CD1-CB 4.25Å; L56-E105 HydrophobicContact CD2-CB 3.31Å; L56-E105 HydrophobicContact CD2-CG 4.2Å; L56-E105 HydrophobicContact CG-CB 4.44Å; C101-E105 PolarHBondContact O-N 2.99Å; A102-E105 PolarHBondContact O-N 3.38Å; A102-E105 VanDerWaalsContact O-N 3.16Å; E105-G107 PolarHBondContact O-N 3.05Å; E105-H108 PolarHBondContact O-N 2.83Å; E105-L110 WeakPolarHBondContact O-CB 3.48Å; E105-L110 PolarHBondContact O-N 3.03Å; E105-Y285 HydrophobicContact CG-CD1 4.46Å; E105-Y285 VanDerWaalsContact OE2-CB 3.31Å; E105-Y285 WeakPolarHBondContact OE2-CB 3.38Å; E105-Y285 PolarHBondContact OE2-N 2.77Å
106V98.6Very high98.2Very high1 Ų126 Ų261%0.00612%0.122CC..Hα-helixtrans-64.8-31.2176.3-175.20000111L56 A102 I103 H104 H108 N109 V111 N120 Y123 I127L56-V106 HydrophobicContact CD2-CG2 4.25Å; A102-V106 WeakPolarHBondContact O-CG2 3.39Å; A102-V106 PolarHBondContact O-N 3.42Å; I103-V106 PolarHBondContact O-N 2.8Å; H104-V106 VanDerWaalsContact C-N 3.34Å; H104-V106 PolarHBondContact O-N 3.32Å; V106-H108 PolarHBondContact O-N 3.47Å; V106-N109 VanDerWaalsContact O-CA 3.31Å; V106-N109 WeakPolarHBondContact O-CA 3.49Å; V106-N109 PolarHBondContact O-N 3.29Å; V106-V111 HydrophobicContact CG2-CG2 3.63Å; V106-N120 HydrophobicContact CG1-CB 3.92Å; V106-N120 WeakPolarHBondContact CG1-O 3.33Å; V106-Y123 HydrophobicContact CG1-CD1 4.33Å; V106-Y123 HydrophobicContact CG2-CD1 3.85Å; V106-Y123 HydrophobicContact CG2-CE1 4.14Å; V106-I127 HydrophobicContact CG2-CD1 3.84Å
107G97.6Very high98Very high2 Ų226.8 Ų26.82%0.02113%0.13CC..Hα-helixtrans-57.1-37.6175.100000113I103 H104 E105 N109 R140I103-G107 PolarHBondContact O-N 3.15Å; H104-G107 WeakPolarHBondContact O-CA 3.29Å; H104-G107 PolarHBondContact O-N 2.98Å; E105-G107 PolarHBondContact O-N 3.05Å; G107-N109 PolarHBondContact O-N 3.44Å; G107-R140 WeakPolarHBondContact O-CD 3.44Å; G107-R140 WeakPolarHBondContact O-CG 3.12Å; G107-R140 PolarHBondContact O-NE 3.16Å
108H98Very high98Very high1 Ų134 Ų341%0.00516%0.161CC..THydrogen-bonded Turntrans-79.10.6172.9-69.4-61.8000114H104 E105 V106 L110 H114 H143 Q144 H147 H277H104-H108 AromaticContact NE2-NE2 3.86Å; H104-H108 PolarHBondContact O-N 3.41Å; E105-H108 PolarHBondContact O-N 2.83Å; V106-H108 PolarHBondContact O-N 3.47Å; H108-L110 VanDerWaalsContact C-N 3.34Å; H108-L110 HydrophobicContact CB-CD1 3.66Å; H108-L110 HydrophobicContact CB-CG 3.79Å; H108-H114 PolarHBondContact O-CE1 3.41Å; H108-H143 AromaticContact CD2-NE2 3.91Å; H108-H143 AromaticContact CE1-CD2 3.95Å; H108-H143 AromaticContact CE1-NE2 3.65Å; H108-H143 AromaticContact NE2-CD2 3.5Å; H108-H143 AromaticContact NE2-NE2 2.95Å; H108-H143 PolarHBondContact NE2-NE2 3.04Å; H108-Q144 PolarHBondContact CE1-NE2 3.34Å; H108-Q144 PolarHBondContact ND1-NE2 2.85Å; H108-H147 AromaticContact CE1-CD2 3.41Å; H108-H147 PolarHBondContact CE1-CD2 3.1Å; H108-H147 VanDerWaalsContact CE1-CD2 3.41Å; H108-H147 AromaticContact CE1-NE2 3.33Å; H108-H147 PolarHBondContact CE1-NE2 3.47Å; H108-H147 VanDerWaalsContact CE1-NE2 3.33Å; H108-H147 AromaticContact NE2-CD2 3.75Å; H108-H147 AromaticContact NE2-NE2 3.25Å; H108-H147 PolarHBondContact NE2-NE2 3.01Å; H108-H277 AromaticContact CD2-CE1 3.44Å; H108-H277 PolarHBondContact CD2-CE1 3.33Å; H108-H277 VanDerWaalsContact CD2-CE1 3.44Å; H108-H277 AromaticContact CD2-NE2 3.76Å; H108-H277 AromaticContact CE1-NE2 3.99Å; H108-H277 AromaticContact NE2-CE1 3.3Å; H108-H277 PolarHBondContact NE2-CE1 2.9Å; H108-H277 VanDerWaalsContact NE2-CE1 3.3Å; H108-H277 AromaticContact NE2-NE2 3.15Å; H108-H277 PolarHBondContact NE2-NE2 2.84Å; H108-H277 VanDerWaalsContact NE2-NE2 3.15Å
109N98.1Very high98Very high13 Ų1335.8 Ų35.87%0.0718%0.176CC..THydrogen-bonded Turntrans65.130.7-174.6-48.2-84.1000113.7V106 G107 V111 G113 H114 N120V106-N109 VanDerWaalsContact O-CA 3.31Å; V106-N109 WeakPolarHBondContact O-CA 3.49Å; V106-N109 PolarHBondContact O-N 3.29Å; G107-N109 PolarHBondContact O-N 3.44Å; N109-V111 VanDerWaalsContact C-N 3.27Å; N109-V111 PolarHBondContact O-N 2.74Å; N109-G113 WeakPolarHBondContact O-CA 3.49Å; N109-G113 PolarHBondContact O-N 3.02Å; N109-H114 PolarHBondContact ND2-ND1 3.07Å; N109-N120 HydrophobicContact CB-CB 4.41Å
110L98.3Very high98Very high3 Ų335.9 Ų35.92%0.01618%0.177CC..THydrogen-bonded Turntrans-810.8-173.6-66.4166.4000114.6P52 D53 E105 H108 Y282 A284P52-L110 CarbonylContact C-O 3.47Å; P52-L110 WeakPolarHBondContact CA-O 3.47Å; P52-L110 VanDerWaalsContact CB-O 3.26Å; P52-L110 WeakPolarHBondContact CB-O 3.17Å; D53-L110 PolarHBondContact N-O 3.07Å; E105-L110 WeakPolarHBondContact O-CB 3.48Å; E105-L110 PolarHBondContact O-N 3.03Å; H108-L110 VanDerWaalsContact C-N 3.34Å; H108-L110 HydrophobicContact CB-CD1 3.66Å; H108-L110 HydrophobicContact CB-CG 3.79Å; L110-Y282 WeakPolarHBondContact CD2-O 3.35Å; L110-A284 HydrophobicContact CB-CB 4.44Å; L110-A284 HydrophobicContact CD2-CB 4.39Å
111V98.3Very high98Very high4 Ų438.4 Ų38.42%0.02418%0.181CC..THydrogen-bonded Turntrans-85.8-57.8171.6-1790000111.4P52 I54 L56 A57 V106 N109 N120 Y123P52-V111 WeakPolarHBondContact CB-O 3.31Å; I54-V111 HydrophobicContact CD1-CG1 3.98Å; L56-V111 HydrophobicContact CB-CG2 4.04Å; L56-V111 HydrophobicContact CD2-CG2 3.34Å; L56-V111 HydrophobicContact CG-CG2 3.61Å; A57-V111 HydrophobicContact CB-CG1 3.76Å; V106-V111 HydrophobicContact CG2-CG2 3.63Å; N109-V111 VanDerWaalsContact C-N 3.27Å; N109-V111 PolarHBondContact O-N 2.74Å; V111-N120 WeakPolarHBondContact CB-OD1 3.46Å; V111-N120 PolarHBondContact N-OD1 3.44Å; V111-Y123 HydrophobicContact CG1-CD1 4.37Å; V111-Y123 HydrophobicContact CG2-CD1 3.96Å; V111-Y123 HydrophobicContact CG2-CE1 4.02Å
112F98.3Very high98Very high68 Ų6843 Ų4330%0.29820%0.204SC..THydrogen-bonded Turntrans-110.4-4.8-174.4-51.2-71.1000113.3I54 Y116 A119 N120 Y123I54-F112 HydrophobicContact CD1-CD1 3.98Å; I54-F112 HydrophobicContact CD1-CE1 3.6Å; F112-Y116 VanDerWaalsContact O-CD2 3.27Å; F112-Y116 WeakPolarHBondContact O-CD2 3.37Å; F112-A119 HydrophobicContact CB-CB 4.48Å; F112-A119 HydrophobicContact CD2-CB 3.82Å; F112-A119 HydrophobicContact CE2-CB 4.32Å; F112-A119 HydrophobicContact CG-CB 4.22Å; F112-N120 PolarHBondContact N-OD1 3.34Å; F112-N120 VanDerWaalsContact N-OD1 3.11Å; F112-Y123 HydrophobicContact CE2-CD1 4.37Å; F112-Y123 HydrophobicContact CE2-CD2 4.35Å; F112-Y123 AromaticContact CE2-CG 3.86Å; F112-Y123 HydrophobicContact CE2-CG 3.86Å; F112-Y123 HydrophobicContact CZ-CD2 4.35Å; F112-Y123 HydrophobicContact CZ-CG 4.28Å
113G97.5Very high98Very high9 Ų944 Ų449%0.09321%0.209CC..  trans81.4165.7-177.100000113.7N109 K115 Y116 N120N109-G113 WeakPolarHBondContact O-CA 3.49Å; N109-G113 PolarHBondContact O-N 3.02Å; G113-K115 VanDerWaalsContact C-N 3.27Å; G113-K115 PolarHBondContact O-N 2.99Å; G113-Y116 CarbonylContact O-C 3.5Å; G113-Y116 PolarHBondContact O-N 2.76Å; G113-N120 PolarHBondContact O-ND2 3.01Å; G113-N120 VanDerWaalsContact O-ND2 3.16Å
114H95.8Very high98Very high109 Ų10944 Ų4451%0.50521%0.209SC..G310 helixtrans-60.3-32.8-174.6-63-73.9000114.2H108 N109 Y116 G117 Y282H108-H114 PolarHBondContact O-CE1 3.41Å; N109-H114 PolarHBondContact ND2-ND1 3.07Å; H114-Y116 PolarHBondContact O-N 2.7Å; H114-Y116 VanDerWaalsContact O-N 3.14Å; H114-G117 PolarHBondContact O-N 2.81Å; H114-Y282 AromaticContact CE1-CD1 3.63Å; H114-Y282 AromaticContact CE1-CE1 3.47Å; H114-Y282 VanDerWaalsContact CE1-CE1 3.47Å; H114-Y282 WeakPolarHBondContact CE1-CE1 3.15Å; H114-Y282 AromaticContact NE2-CD1 3.5Å; H114-Y282 AromaticContact NE2-CE1 3.77Å
115K97.3Very high98Very high177 Ų17744 Ų4477%0.7721%0.209SC*.G310 helixtrans-57.2-28.9176.5-175.5178.7177.2-173.20112.2G113G113-K115 VanDerWaalsContact C-N 3.27Å; G113-K115 PolarHBondContact O-N 2.99Å
116Y97.6Very high98Very high127 Ų12747 Ų4750%0.49822%0.222SC..G310 helixtrans-114.840.9-177.3-56.3-81.5000111.7F112 G113 H114 K118 A119 N120F112-Y116 VanDerWaalsContact O-CD2 3.27Å; F112-Y116 WeakPolarHBondContact O-CD2 3.37Å; G113-Y116 CarbonylContact O-C 3.5Å; G113-Y116 PolarHBondContact O-N 2.76Å; H114-Y116 PolarHBondContact O-N 2.7Å; H114-Y116 VanDerWaalsContact O-N 3.14Å; Y116-K118 PolarHBondContact O-N 3.47Å; Y116-K118 VanDerWaalsContact O-N 3.13Å; Y116-A119 WeakPolarHBondContact O-CA 3.48Å; Y116-A119 WeakPolarHBondContact O-CB 3.01Å; Y116-A119 PolarHBondContact O-N 3.08Å; Y116-N120 PolarHBondContact O-N 3.32Å; Y116-N120 VanDerWaalsContact O-N 3.13Å; Y116-N120 PolarHBondContact O-ND2 2.9Å; Y116-N120 VanDerWaalsContact O-ND2 3.1Å
117G95.8Very high98Very high17 Ų1747 Ų4718%0.17522%0.222CC..Hα-helixtrans-53.9-34.3-178.900000114.5H114 N120 R121H114-G117 PolarHBondContact O-N 2.81Å; G117-N120 PolarHBondContact O-N 3.29Å; G117-R121 WeakPolarHBondContact O-CG 3.46Å; G117-R121 PolarHBondContact O-N 2.95Å; G117-R121 VanDerWaalsContact O-N 3.07Å
118K98Very high98.1Very high154 Ų15446.9 Ų46.967%0.6722%0.221SC*.Hα-helixtrans-66-37.1173.8-67.4-175.5-178.7177.90112.6Y116 R121 L122 W200Y116-K118 PolarHBondContact O-N 3.47Å; Y116-K118 VanDerWaalsContact O-N 3.13Å; K118-R121 PolarHBondContact O-N 3.33Å; K118-L122 PolarHBondContact O-N 2.96Å; K118-W200 HydrophobicContact CB-CZ2 4.43Å; K118-W200 HydrophobicContact CG-CZ2 4.1Å
119A98.5Very high98.1Very high38 Ų3848 Ų4831%0.31423%0.226SC..Hα-helixtrans-66.8-41.7176.700000110.9F112 Y116 R121 L122 Y123F112-A119 HydrophobicContact CB-CB 4.48Å; F112-A119 HydrophobicContact CD2-CB 3.82Å; F112-A119 HydrophobicContact CE2-CB 4.32Å; F112-A119 HydrophobicContact CG-CB 4.22Å; Y116-A119 WeakPolarHBondContact O-CA 3.48Å; Y116-A119 WeakPolarHBondContact O-CB 3.01Å; Y116-A119 PolarHBondContact O-N 3.08Å; A119-R121 VanDerWaalsContact C-N 3.34Å; A119-R121 PolarHBondContact O-N 2.91Å; A119-L122 PolarHBondContact O-N 3.13Å; A119-Y123 VanDerWaalsContact O-CB 3.26Å; A119-Y123 WeakPolarHBondContact O-CB 3.09Å; A119-Y123 PolarHBondContact O-N 2.84Å
120N98.7Very high98.2Very high1 Ų147.3 Ų47.31%0.00522%0.223CC..Hα-helixtrans-60.4-41.6173.3-69.5-80.9000111.7V106 N109 V111 F112 G113 Y116 G117 Y123 S124V106-N120 HydrophobicContact CG1-CB 3.92Å; V106-N120 WeakPolarHBondContact CG1-O 3.33Å; N109-N120 HydrophobicContact CB-CB 4.41Å; V111-N120 WeakPolarHBondContact CB-OD1 3.46Å; V111-N120 PolarHBondContact N-OD1 3.44Å; F112-N120 PolarHBondContact N-OD1 3.34Å; F112-N120 VanDerWaalsContact N-OD1 3.11Å; G113-N120 PolarHBondContact O-ND2 3.01Å; G113-N120 VanDerWaalsContact O-ND2 3.16Å; Y116-N120 PolarHBondContact O-N 3.32Å; Y116-N120 VanDerWaalsContact O-N 3.13Å; Y116-N120 PolarHBondContact O-ND2 2.9Å; Y116-N120 VanDerWaalsContact O-ND2 3.1Å; G117-N120 PolarHBondContact O-N 3.29Å; N120-Y123 PolarHBondContact O-N 3.29Å; N120-S124 WeakPolarHBondContact O-CB 3.42Å; N120-S124 PolarHBondContact O-N 3.37Å; N120-S124 PolarHBondContact O-OG 2.83Å
121R98.3Very high98.2Very high71 Ų7147.3 Ų47.327%0.26822%0.223SC..Hα-helixtrans-63.9-43.4176.3-69.4174.7-167.4173.52.7113.5G117 K118 A119 Y123 S124 I125 I137 W200G117-R121 WeakPolarHBondContact O-CG 3.46Å; G117-R121 PolarHBondContact O-N 2.95Å; G117-R121 VanDerWaalsContact O-N 3.07Å; K118-R121 PolarHBondContact O-N 3.33Å; A119-R121 VanDerWaalsContact C-N 3.34Å; A119-R121 PolarHBondContact O-N 2.91Å; R121-Y123 VanDerWaalsContact C-N 3.3Å; R121-S124 PolarHBondContact O-N 2.99Å; R121-S124 PolarHBondContact O-OG 3.4Å; R121-I125 VanDerWaalsContact O-CG1 3.3Å; R121-I125 WeakPolarHBondContact O-CG1 3.45Å; R121-I125 PolarHBondContact O-N 2.93Å; R121-I125 VanDerWaalsContact O-N 3.15Å; R121-I137 HydrophobicContact CB-CD1 3.94Å; R121-I137 HydrophobicContact CG-CD1 4.08Å; R121-W200 HydrophobicContact CB-CD2 4.36Å; R121-W200 HydrophobicContact CB-CE3 3.94Å; R121-W200 HydrophobicContact CB-CH2 4.24Å; R121-W200 HydrophobicContact CB-CZ3 3.88Å
122L98.7Very high98.2Very high98 Ų9847.3 Ų47.351%0.51322%0.223SC..Hα-helixtrans-64.7-40.7175.9-73.1171.1000111K118 A119 I125 F126 W200K118-L122 PolarHBondContact O-N 2.96Å; A119-L122 PolarHBondContact O-N 3.13Å; L122-I125 PolarHBondContact O-N 3.45Å; L122-F126 PolarHBondContact O-N 3.34Å; L122-W200 HydrophobicContact CD2-CH2 4.31Å; L122-W200 HydrophobicContact CD2-CZ3 4Å; L122-W200 HydrophobicContact CG-CH2 4.22Å; L122-W200 HydrophobicContact CG-CZ3 4.2Å
123Y98.8Very high98.2Very high23 Ų2347.1 Ų47.19%0.0923%0.225CC..Hα-helixtrans-66.8-40.9177.9-171.6-105.6000112.7A57 S60 S61 V106 V111 F112 A119 N120 R121 I125 F126 I127A57-Y123 WeakPolarHBondContact CA-OH 3.45Å; A57-Y123 HydrophobicContact CB-CE1 4.28Å; A57-Y123 HydrophobicContact CB-CE2 4.31Å; A57-Y123 PolarHBondContact O-OH 3.1Å; S60-Y123 PolarHBondContact OG-OH 2.96Å; S61-Y123 PolarHBondContact N-OH 2.8Å; S61-Y123 PolarHBondContact OG-OH 3.12Å; V106-Y123 HydrophobicContact CG1-CD1 4.33Å; V106-Y123 HydrophobicContact CG2-CD1 3.85Å; V106-Y123 HydrophobicContact CG2-CE1 4.14Å; V111-Y123 HydrophobicContact CG1-CD1 4.37Å; V111-Y123 HydrophobicContact CG2-CD1 3.96Å; V111-Y123 HydrophobicContact CG2-CE1 4.02Å; F112-Y123 HydrophobicContact CE2-CD1 4.37Å; F112-Y123 HydrophobicContact CE2-CD2 4.35Å; F112-Y123 AromaticContact CE2-CG 3.86Å; F112-Y123 HydrophobicContact CE2-CG 3.86Å; F112-Y123 HydrophobicContact CZ-CD2 4.35Å; F112-Y123 HydrophobicContact CZ-CG 4.28Å; A119-Y123 VanDerWaalsContact O-CB 3.26Å; A119-Y123 WeakPolarHBondContact O-CB 3.09Å; A119-Y123 PolarHBondContact O-N 2.84Å; N120-Y123 PolarHBondContact O-N 3.29Å; R121-Y123 VanDerWaalsContact C-N 3.3Å; Y123-I125 VanDerWaalsContact C-N 3.27Å; Y123-I125 PolarHBondContact O-N 2.88Å; Y123-F126 HydrophobicContact CD2-CD1 4.1Å; Y123-F126 AromaticContact CE2-CD1 3.78Å; Y123-F126 HydrophobicContact CE2-CD1 3.78Å; Y123-F126 HydrophobicContact CE2-CE1 4.18Å; Y123-F126 WeakPolarHBondContact O-CB 3.04Å; Y123-F126 PolarHBondContact O-N 3.32Å; Y123-F126 VanDerWaalsContact O-N 3.1Å; Y123-I127 HydrophobicContact CD1-CG2 4.37Å; Y123-I127 HydrophobicContact CE1-CD1 4.33Å; Y123-I127 HydrophobicContact CE1-CG2 3.73Å; Y123-I127 HydrophobicContact CE2-CG2 4.05Å; Y123-I127 PolarHBondContact O-N 3.21Å; Y123-I127 WeakPolarHBondContact OH-CG2 3.45Å
124S98.8Very high98.2Very high3 Ų348.6 Ų48.62%0.02123%0.233CC..Hα-helixtrans-60.8-38174.668.90000111.5N120 R121 I127 N128 A136N120-S124 WeakPolarHBondContact O-CB 3.42Å; N120-S124 PolarHBondContact O-N 3.37Å; N120-S124 PolarHBondContact O-OG 2.83Å; R121-S124 PolarHBondContact O-N 2.99Å; R121-S124 PolarHBondContact O-OG 3.4Å; S124-I127 WeakPolarHBondContact O-CG1 3.33Å; S124-N128 WeakPolarHBondContact O-CB 3.27Å; S124-N128 PolarHBondContact O-N 3.26Å; S124-N128 VanDerWaalsContact O-N 3.11Å; S124-A136 WeakPolarHBondContact O-CB 3.45Å
125I98.9Very high98.2Very high4 Ų445.6 Ų45.62%0.02122%0.221CC..Hα-helixtrans-66.7-39.7174.5-66.7167.3000111.2R121 L122 Y123 N128 L129 I137 W200 I203 N204 I207R121-I125 VanDerWaalsContact O-CG1 3.3Å; R121-I125 WeakPolarHBondContact O-CG1 3.45Å; R121-I125 PolarHBondContact O-N 2.93Å; R121-I125 VanDerWaalsContact O-N 3.15Å; L122-I125 PolarHBondContact O-N 3.45Å; Y123-I125 VanDerWaalsContact C-N 3.27Å; Y123-I125 PolarHBondContact O-N 2.88Å; I125-N128 WeakPolarHBondContact O-CB 3.17Å; I125-N128 PolarHBondContact O-N 3.5Å; I125-L129 PolarHBondContact O-N 3.46Å; I125-I137 HydrophobicContact CD1-CD1 4.15Å; I125-I137 HydrophobicContact CD1-CG1 4.1Å; I125-I137 HydrophobicContact CG1-CD1 4.13Å; I125-I137 HydrophobicContact CG1-CG1 4.07Å; I125-W200 HydrophobicContact CD1-CE3 4.32Å; I125-W200 HydrophobicContact CD1-CZ3 4.47Å; I125-I203 HydrophobicContact CD1-CG2 4.19Å; I125-N204 HydrophobicContact CD1-CB 4.13Å; I125-N204 HydrophobicContact CG1-CB 4.08Å; I125-I207 HydrophobicContact CG2-CB 4.08Å; I125-I207 HydrophobicContact CG2-CD1 3.96Å; I125-I207 HydrophobicContact CG2-CG2 3.68Å
126F98.9Very high98.3Very high65 Ų6537.2 Ų37.229%0.28518%0.184SC..Hα-helixtrans-61.8-48.5176.4164.9-107.4000112.2V64 F65 L122 Y123 N128 L129V64-F126 HydrophobicContact CB-CE1 4.43Å; V64-F126 HydrophobicContact CB-CZ 4.18Å; V64-F126 HydrophobicContact CG1-CE1 4.34Å; V64-F126 HydrophobicContact CG1-CE2 3.93Å; V64-F126 HydrophobicContact CG1-CZ 3.71Å; V64-F126 HydrophobicContact CG2-CE1 4.33Å; V64-F126 HydrophobicContact CG2-CZ 4.49Å; F65-F126 HydrophobicContact CE2-CZ 4.47Å; F65-F126 HydrophobicContact CZ-CZ 4.39Å; L122-F126 PolarHBondContact O-N 3.34Å; Y123-F126 HydrophobicContact CD2-CD1 4.1Å; Y123-F126 AromaticContact CE2-CD1 3.78Å; Y123-F126 HydrophobicContact CE2-CD1 3.78Å; Y123-F126 HydrophobicContact CE2-CE1 4.18Å; Y123-F126 WeakPolarHBondContact O-CB 3.04Å; Y123-F126 PolarHBondContact O-N 3.32Å; Y123-F126 VanDerWaalsContact O-N 3.1Å; F126-N128 PolarHBondContact O-N 2.86Å; F126-L129 HydrophobicContact CD2-CD1 4.18Å; F126-L129 WeakPolarHBondContact O-CB 3.47Å; F126-L129 VanDerWaalsContact O-CG 3.29Å; F126-L129 WeakPolarHBondContact O-CG 3.41Å; F126-L129 PolarHBondContact O-N 3.13Å
127I98.8Very high98.3Very high0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-73.5-14.4-179.867.6171.8000113.5V64 L99 A102 I103 V106 Y123 S124 P130V64-I127 HydrophobicContact CG2-CB 4.03Å; V64-I127 HydrophobicContact CG2-CG2 4.05Å; L99-I127 HydrophobicContact CD2-CB 4.2Å; A102-I127 HydrophobicContact CB-CD1 3.79Å; I103-I127 HydrophobicContact CG1-CD1 3.79Å; I103-I127 HydrophobicContact CG1-CG1 3.83Å; V106-I127 HydrophobicContact CG2-CD1 3.84Å; Y123-I127 HydrophobicContact CD1-CG2 4.37Å; Y123-I127 HydrophobicContact CE1-CD1 4.33Å; Y123-I127 HydrophobicContact CE1-CG2 3.73Å; Y123-I127 HydrophobicContact CE2-CG2 4.05Å; Y123-I127 PolarHBondContact O-N 3.21Å; Y123-I127 WeakPolarHBondContact OH-CG2 3.45Å; S124-I127 WeakPolarHBondContact O-CG1 3.33Å; I127-P130 WeakPolarHBondContact O-CD 3.28Å
128N98.9Very high98.3Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-76.6-22.1172.8-174.1119.8000112.8I103 S124 I125 F126 P130 M131 L133 I135 A136 Q208I103-N128 HydrophobicContact CD1-CB 3.9Å; S124-N128 WeakPolarHBondContact O-CB 3.27Å; S124-N128 PolarHBondContact O-N 3.26Å; S124-N128 VanDerWaalsContact O-N 3.11Å; I125-N128 WeakPolarHBondContact O-CB 3.17Å; I125-N128 PolarHBondContact O-N 3.5Å; F126-N128 PolarHBondContact O-N 2.86Å; N128-P130 VanDerWaalsContact C-CD 3.49Å; N128-M131 VanDerWaalsContact O-CB 3.24Å; N128-M131 WeakPolarHBondContact O-CB 3.38Å; N128-M131 PolarHBondContact O-N 3.31Å; N128-L133 PolarHBondContact ND2-O 3.01Å; N128-L133 PolarHBondContact OD1-O 2.6Å; N128-I135 PolarHBondContact OD1-N 2.82Å; N128-A136 HydrophobicContact CB-CB 3.96Å; N128-A136 WeakPolarHBondContact OD1-CB 3.34Å; N128-A136 PolarHBondContact OD1-N 3.32Å; N128-Q208 PolarHBondContact ND2-OE1 3.47Å; N128-Q208 PolarHBondContact O-OE1 3.48Å
129L98.9Very high98.3Very high23 Ų2327.1 Ų27.112%0.1214%0.141CC..G310 helixtrans-51.2-47.6-172.1-63.8175.3000113.7I125 F126 M131 G132 I207 Q208 F211I125-L129 PolarHBondContact O-N 3.46Å; F126-L129 HydrophobicContact CD2-CD1 4.18Å; F126-L129 WeakPolarHBondContact O-CB 3.47Å; F126-L129 VanDerWaalsContact O-CG 3.29Å; F126-L129 WeakPolarHBondContact O-CG 3.41Å; F126-L129 PolarHBondContact O-N 3.13Å; L129-M131 PolarHBondContact O-N 3.36Å; L129-M131 VanDerWaalsContact O-N 3.07Å; L129-G132 PolarHBondContact O-N 2.98Å; L129-I207 HydrophobicContact CD2-CG2 3.93Å; L129-Q208 PolarHBondContact O-NE2 3.18Å; L129-Q208 VanDerWaalsContact O-NE2 3.08Å; L129-F211 HydrophobicContact CB-CD1 4.15Å; L129-F211 HydrophobicContact CB-CD2 4.35Å; L129-F211 HydrophobicContact CB-CE1 4.02Å; L129-F211 HydrophobicContact CB-CE2 4.24Å; L129-F211 HydrophobicContact CB-CG 4.3Å; L129-F211 HydrophobicContact CB-CZ 4.06Å; L129-F211 HydrophobicContact CD1-CD2 4.24Å; L129-F211 HydrophobicContact CD1-CE2 4.43Å; L129-F211 HydrophobicContact CD2-CB 3.88Å; L129-F211 HydrophobicContact CD2-CD1 4.21Å; L129-F211 HydrophobicContact CD2-CD2 4.16Å; L129-F211 HydrophobicContact CD2-CG 3.8Å; L129-F211 HydrophobicContact CG-CD2 4.49Å; L129-F211 HydrophobicContact CG-CG 4.48Å; L129-F211 WeakPolarHBondContact O-CE1 3.44Å
130P98.8Very high98.2Very high0 Ų028 Ų280%014%0.137CC..G310 helixtrans-65.3-11.5179.1-20.535000114.6V64 Q67 N96 L99 I127 N128 G132 F227V64-P130 HydrophobicContact CB-CG 4.22Å; V64-P130 HydrophobicContact CG1-CG 3.98Å; V64-P130 HydrophobicContact CG2-CG 4.05Å; Q67-P130 HydrophobicContact CB-CB 3.79Å; Q67-P130 HydrophobicContact CB-CG 4.05Å; Q67-P130 HydrophobicContact CG-CB 3.92Å; Q67-P130 HydrophobicContact CG-CG 4.41Å; N96-P130 PolarHBondContact ND2-O 3.08Å; N96-P130 PolarHBondContact OD1-O 2.97Å; L99-P130 HydrophobicContact CD1-CB 4.06Å; L99-P130 HydrophobicContact CD1-CG 3.94Å; I127-P130 WeakPolarHBondContact O-CD 3.28Å; N128-P130 VanDerWaalsContact C-CD 3.49Å; P130-G132 VanDerWaalsContact C-N 3.33Å; P130-F227 HydrophobicContact CB-CD1 4.03Å; P130-F227 HydrophobicContact CB-CE1 4.01Å; P130-F227 WeakPolarHBondContact O-CB 3.5Å; P130-F227 WeakPolarHBondContact O-CD1 3.4Å; P130-F227 WeakPolarHBondContact O-CG 3.39Å
131M98.6Very high98Very high3 Ų329.9 Ų29.92%0.01515%0.145CC..G310 helixtrans-77.6-19.2178.9-57.1-175.778.300112.8N96 I103 N128 L129 L133 I135 T231 L235N96-M131 HydrophobicContact CB-CG 4.38Å; I103-M131 HydrophobicContact CD1-SD 3.58Å; I103-M131 VanDerWaalsContact CD1-SD 3.58Å; N128-M131 VanDerWaalsContact O-CB 3.24Å; N128-M131 WeakPolarHBondContact O-CB 3.38Å; N128-M131 PolarHBondContact O-N 3.31Å; L129-M131 PolarHBondContact O-N 3.36Å; L129-M131 VanDerWaalsContact O-N 3.07Å; M131-L133 PolarHBondContact O-N 3.1Å; M131-I135 HydrophobicContact CE-CD1 3.8Å; M131-I135 HydrophobicContact SD-CD1 4.43Å; M131-T231 VanDerWaalsContact C-OG1 3.28Å; M131-T231 WeakPolarHBondContact CA-OG1 3.26Å; M131-T231 HydrophobicContact CB-CG2 4.26Å; M131-T231 HydrophobicContact CE-CG2 3.93Å; M131-T231 WeakPolarHBondContact O-CB 3.35Å; M131-T231 PolarHBondContact O-OG1 3.11Å; M131-L235 HydrophobicContact CE-CD1 4.32Å
132G98.3Very high97.9Very high3 Ų327.2 Ų27.23%0.03114%0.135CC..SBendtrans68.39.1179.700000114.9L129 P130 Q208L129-G132 PolarHBondContact O-N 2.98Å; P130-G132 VanDerWaalsContact C-N 3.33Å; G132-Q208 VanDerWaalsContact CA-NE2 3.29Å
133L97.6Very high97.7Very high65 Ų6522.8 Ų22.834%0.3411%0.112SC..SBendtrans-144.6133.8-175.1-65.8173.5000109.7N128 M131 I135 T231N128-L133 PolarHBondContact ND2-O 3.01Å; N128-L133 PolarHBondContact OD1-O 2.6Å; M131-L133 PolarHBondContact O-N 3.1Å; L133-I135 HydrophobicContact CB-CD1 3.82Å; L133-I135 HydrophobicContact CB-CG1 3.98Å; L133-I135 HydrophobicContact CD1-CD1 4.44Å; L133-I135 PolarHBondContact O-N 2.65Å; L133-T231 HydrophobicContact CD1-CG2 4.15Å
134P97.7Very high97.5Very high40 Ų4024.4 Ų24.426%0.2612%0.12SC..  trans-80.174.8-171.631.6-35000112.8F205 Q208P134-F205 HydrophobicContact CG-CD2 3.92Å; P134-Q208 HydrophobicContact CB-CB 3.88Å; P134-Q208 HydrophobicContact CB-CG 4.27Å
135I96.5Very high97Very high46 Ų4624.9 Ų24.924%0.23612%0.124CC..  trans-92.9-37.2-169.1-64.2162.3000112.2N128 M131 L133 I137 S138 Y139 T231N128-I135 PolarHBondContact OD1-N 2.82Å; M131-I135 HydrophobicContact CE-CD1 3.8Å; M131-I135 HydrophobicContact SD-CD1 4.43Å; L133-I135 HydrophobicContact CB-CD1 3.82Å; L133-I135 HydrophobicContact CB-CG1 3.98Å; L133-I135 HydrophobicContact CD1-CD1 4.44Å; L133-I135 PolarHBondContact O-N 2.65Å; I135-I137 PolarHBondContact O-N 2.95Å; I135-S138 PolarHBondContact O-N 3.1Å; I135-Y139 VanDerWaalsContact O-CB 3.3Å; I135-Y139 WeakPolarHBondContact O-CB 3.46Å; I135-Y139 PolarHBondContact O-N 2.88Å; I135-T231 HydrophobicContact CD1-CG2 4.32Å
136A98.4Very high96.7Very high0 Ų024.8 Ų24.80%012%0.123CC..Hα-helixtrans-53.4-49.6-161.300000115.6I103 S124 N128 R140 N204I103-A136 HydrophobicContact CD1-CB 4.13Å; I103-A136 HydrophobicContact CG1-CB 4.42Å; I103-A136 HydrophobicContact CG2-CB 4.22Å; S124-A136 WeakPolarHBondContact O-CB 3.45Å; N128-A136 HydrophobicContact CB-CB 3.96Å; N128-A136 WeakPolarHBondContact OD1-CB 3.34Å; N128-A136 PolarHBondContact OD1-N 3.32Å; A136-R140 PolarHBondContact O-N 3.3Å; A136-R140 VanDerWaalsContact O-N 3.13Å; A136-N204 PolarHBondContact N-OD1 3Å
137I98.1Very high96.4Very high11 Ų1122.9 Ų22.96%0.05612%0.115CC..Hα-helixtrans-73.4-42-174.8-60.4-58.1000111.3R121 I125 I135 R140 K141 W200 E201 N204R121-I137 HydrophobicContact CB-CD1 3.94Å; R121-I137 HydrophobicContact CG-CD1 4.08Å; I125-I137 HydrophobicContact CD1-CD1 4.15Å; I125-I137 HydrophobicContact CD1-CG1 4.1Å; I125-I137 HydrophobicContact CG1-CD1 4.13Å; I125-I137 HydrophobicContact CG1-CG1 4.07Å; I135-I137 PolarHBondContact O-N 2.95Å; I137-R140 PolarHBondContact O-N 3.48Å; I137-K141 PolarHBondContact O-N 2.96Å; I137-W200 HydrophobicContact CD1-CB 4.42Å; I137-W200 HydrophobicContact CG1-CB 4.32Å; I137-W200 HydrophobicContact CG2-CB 3.65Å; I137-E201 HydrophobicContact CB-CG 4.21Å; I137-E201 HydrophobicContact CG2-CG 3.64Å; I137-N204 HydrophobicContact CB-CB 4.28Å; I137-N204 HydrophobicContact CG1-CB 3.75Å; I137-N204 WeakPolarHBondContact CG1-OD1 3.22Å; I137-N204 PolarHBondContact N-OD1 3.17Å; I137-N204 VanDerWaalsContact N-OD1 3.12Å
138S96.7Very high95.8Very high33 Ų3330.2 Ų30.223%0.23114%0.143CC..Hα-helixtrans-64.9-45.2177.2-61.40000110.6I135 R140 K141 Y142 E201I135-S138 PolarHBondContact O-N 3.1Å; S138-R140 PolarHBondContact O-N 3.18Å; S138-K141 WeakPolarHBondContact O-CB 3.33Å; S138-K141 PolarHBondContact O-N 3.38Å; S138-Y142 VanDerWaalsContact O-CD2 3.23Å; S138-Y142 WeakPolarHBondContact O-CD2 3.42Å; S138-Y142 PolarHBondContact O-N 3.33Å; S138-E201 PolarHBondContact OG-OE1 3.08Å
139Y96.7Very high95Very high42 Ų4231.4 Ų31.417%0.16515%0.148CC..Hα-helixtrans-53.6-52.5176-179.7-88.1000110.9I103 H104 I135 K141 Y142 H143I103-Y139 HydrophobicContact CG2-CD1 3.84Å; I103-Y139 HydrophobicContact CG2-CG 4.24Å; H104-Y139 HydrophobicContact CB-CE1 3.84Å; H104-Y139 PolarHBondContact CD2-OH 3.44Å; I135-Y139 VanDerWaalsContact O-CB 3.3Å; I135-Y139 WeakPolarHBondContact O-CB 3.46Å; I135-Y139 PolarHBondContact O-N 2.88Å; Y139-K141 PolarHBondContact O-N 3.48Å; Y139-Y142 PolarHBondContact O-N 3.34Å; Y139-H143 HydrophobicContact CD1-CB 4.17Å; Y139-H143 HydrophobicContact CE1-CB 3.74Å; Y139-H143 AromaticContact CE1-CG 3.82Å; Y139-H143 AromaticContact CZ-CG 3.96Å; Y139-H143 WeakPolarHBondContact O-CB 3.37Å; Y139-H143 PolarHBondContact O-N 3.05Å
140R96.7Very high94.4Very high57 Ų5730.5 Ų30.522%0.21514%0.143CC..Hα-helixtrans-54.1-41.7176.6178.4-178.7180-71.4-16.2112.4G107 A136 I137 S138 Q144G107-R140 WeakPolarHBondContact O-CD 3.44Å; G107-R140 WeakPolarHBondContact O-CG 3.12Å; G107-R140 PolarHBondContact O-NE 3.16Å; A136-R140 PolarHBondContact O-N 3.3Å; A136-R140 VanDerWaalsContact O-N 3.13Å; I137-R140 PolarHBondContact O-N 3.48Å; S138-R140 PolarHBondContact O-N 3.18Å; R140-Q144 WeakPolarHBondContact O-CB 3.06Å; R140-Q144 WeakPolarHBondContact O-CG 3.34Å; R140-Q144 PolarHBondContact O-N 2.99Å
141K94.7Very high93.7Very high40 Ų4030.6 Ų30.617%0.17414%0.143CC..Hα-helixtrans-64-48.2-178.9179.8175.163.1-178.70111.3I137 S138 Y139 A145 L195 P196 E201I137-K141 PolarHBondContact O-N 2.96Å; S138-K141 WeakPolarHBondContact O-CB 3.33Å; S138-K141 PolarHBondContact O-N 3.38Å; Y139-K141 PolarHBondContact O-N 3.48Å; K141-A145 PolarHBondContact O-N 3.06Å; K141-L195 HydrophobicContact CD-CB 4Å; K141-L195 HydrophobicContact CD-CD1 3.9Å; K141-L195 HydrophobicContact CG-CD1 3.74Å; K141-P196 PolarHBondContact NZ-O 2.89Å; K141-E201 WeakPolarHBondContact CE-OE1 3.39Å; K141-E201 IonicContact NZ-OE1 2.85Å; K141-E201 PolarHBondContact NZ-OE1 3.48Å; K141-E201 IonicContact NZ-OE2 3.95Å; K141-E201 PolarHBondContact NZ-OE2 3.03Å
142Y95.8Very high93Very high16 Ų1630.7 Ų30.76%0.06314%0.144CC..Hα-helixtrans-77.2-36.1-177.3-73.1-72.2000112.9S138 Y139 Q144 A145 H146 A157 P189 H193 L195S138-Y142 VanDerWaalsContact O-CD2 3.23Å; S138-Y142 WeakPolarHBondContact O-CD2 3.42Å; S138-Y142 PolarHBondContact O-N 3.33Å; Y139-Y142 PolarHBondContact O-N 3.34Å; Y142-Q144 VanDerWaalsContact C-N 3.31Å; Y142-Q144 PolarHBondContact O-N 3.01Å; Y142-A145 CarbonylContact O-C 3.6Å; Y142-A145 WeakPolarHBondContact O-CA 3.5Å; Y142-A145 VanDerWaalsContact O-CB 3.25Å; Y142-A145 WeakPolarHBondContact O-CB 3.04Å; Y142-A145 PolarHBondContact O-N 3.4Å; Y142-H146 PolarHBondContact O-N 2.84Å; Y142-A157 HydrophobicContact CD1-CB 3.85Å; Y142-A157 HydrophobicContact CG-CB 4.42Å; Y142-P189 HydrophobicContact CD1-CB 3.97Å; Y142-P189 HydrophobicContact CD2-CB 3.83Å; Y142-P189 HydrophobicContact CD2-CG 4.16Å; Y142-P189 HydrophobicContact CE1-CB 3.65Å; Y142-P189 HydrophobicContact CE2-CB 3.5Å; Y142-P189 HydrophobicContact CE2-CG 4.29Å; Y142-P189 HydrophobicContact CG-CB 4.06Å; Y142-P189 HydrophobicContact CG-CG 4.29Å; Y142-P189 VanDerWaalsContact CZ-CB 3.4Å; Y142-H193 VanDerWaalsContact CE1-O 3.25Å; Y142-H193 WeakPolarHBondContact CE1-O 3.33Å; Y142-H193 PolarHBondContact OH-O 2.87Å; Y142-L195 HydrophobicContact CD1-CD1 4.15Å; Y142-L195 HydrophobicContact CE1-CB 4.24Å; Y142-L195 HydrophobicContact CE1-CD1 3.72Å; Y142-L195 HydrophobicContact CE1-CG 3.91Å; Y142-L195 PolarHBondContact OH-N 3.08Å; Y142-L195 VanDerWaalsContact OH-N 3.08Å
143H95.7Very high92.2Very high5 Ų532.3 Ų32.32%0.02315%0.151CC..Hα-helixtrans-66.4-32.5177.2-177.461000112.8H104 H108 Y139 A145 H146 H147H104-H143 AromaticContact CD2-CD2 3.78Å; H104-H143 AromaticContact CD2-CE1 3.33Å; H104-H143 PolarHBondContact CD2-CE1 2.83Å; H104-H143 AromaticContact CD2-NE2 3.09Å; H104-H143 PolarHBondContact CD2-NE2 3.18Å; H104-H143 AromaticContact NE2-CE1 3.44Å; H104-H143 PolarHBondContact NE2-CE1 3.28Å; H104-H143 AromaticContact NE2-NE2 3.15Å; H104-H143 PolarHBondContact NE2-NE2 3.28Å; H104-H143 VanDerWaalsContact NE2-NE2 3.15Å; H108-H143 AromaticContact CD2-NE2 3.91Å; H108-H143 AromaticContact CE1-CD2 3.95Å; H108-H143 AromaticContact CE1-NE2 3.65Å; H108-H143 AromaticContact NE2-CD2 3.5Å; H108-H143 AromaticContact NE2-NE2 2.95Å; H108-H143 PolarHBondContact NE2-NE2 3.04Å; Y139-H143 HydrophobicContact CD1-CB 4.17Å; Y139-H143 HydrophobicContact CE1-CB 3.74Å; Y139-H143 AromaticContact CE1-CG 3.82Å; Y139-H143 AromaticContact CZ-CG 3.96Å; Y139-H143 WeakPolarHBondContact O-CB 3.37Å; Y139-H143 PolarHBondContact O-N 3.05Å; H143-A145 VanDerWaalsContact C-N 3.29Å; H143-A145 PolarHBondContact O-N 3.1Å; H143-H146 AromaticContact ND1-CD2 3.86Å; H143-H146 WeakPolarHBondContact O-CB 3.3Å; H143-H146 PolarHBondContact O-N 3.05Å; H143-H147 AromaticContact CD2-CD2 3.99Å; H143-H147 AromaticContact CE1-CD2 3.55Å; H143-H147 AromaticContact CE1-NE2 3.27Å; H143-H147 PolarHBondContact CE1-NE2 3.19Å; H143-H147 VanDerWaalsContact CE1-NE2 3.27Å; H143-H147 AromaticContact NE2-CD2 3.37Å; H143-H147 PolarHBondContact NE2-CD2 2.92Å; H143-H147 AromaticContact NE2-NE2 3.09Å; H143-H147 PolarHBondContact NE2-NE2 3.38Å; H143-H147 PolarHBondContact O-CD2 3.09Å; H143-H147 PolarHBondContact O-N 3.06Å; H143-H147 VanDerWaalsContact O-N 3.09Å
144Q93.2Very high91.4Very high57 Ų5730.3 Ų30.327%0.26614%0.14SC..Hα-helixtrans-67.1-30.9169.5-68.6-73.4-51.400112.5H108 R140 Y142 R148H108-Q144 PolarHBondContact CE1-NE2 3.34Å; H108-Q144 PolarHBondContact ND1-NE2 2.85Å; R140-Q144 WeakPolarHBondContact O-CB 3.06Å; R140-Q144 WeakPolarHBondContact O-CG 3.34Å; R140-Q144 PolarHBondContact O-N 2.99Å; Y142-Q144 VanDerWaalsContact C-N 3.31Å; Y142-Q144 PolarHBondContact O-N 3.01Å; Q144-R148 PolarHBondContact O-N 3.06Å
145A89.9Confident90.7Very high12 Ų1228.4 Ų28.410%0.09913%0.128CC..Hα-helixtrans-70.7-40.8172.200000110.6K141 Y142 H143 H147 R148 W149K141-A145 PolarHBondContact O-N 3.06Å; Y142-A145 CarbonylContact O-C 3.6Å; Y142-A145 WeakPolarHBondContact O-CA 3.5Å; Y142-A145 VanDerWaalsContact O-CB 3.25Å; Y142-A145 WeakPolarHBondContact O-CB 3.04Å; Y142-A145 PolarHBondContact O-N 3.4Å; H143-A145 VanDerWaalsContact C-N 3.29Å; H143-A145 PolarHBondContact O-N 3.1Å; A145-H147 PolarHBondContact O-N 2.87Å; A145-R148 CarbonylContact O-C 3.07Å; A145-R148 WeakPolarHBondContact O-CA 3.35Å; A145-R148 WeakPolarHBondContact O-CB 3.46Å; A145-R148 PolarHBondContact O-N 2.6Å; A145-W149 WeakPolarHBondContact O-CB 3.43Å; A145-W149 VanDerWaalsContact O-CD1 3.22Å; A145-W149 PolarHBondContact O-N 3.22Å
146H92.8Very high90.4Very high2 Ų226.2 Ų26.21%0.00912%0.117CC..Hα-helixtrans-55.2-50.9174.5168.776.1000112.5Y142 H143 R148 W149 L150 D156 D158 H248 H278Y142-H146 PolarHBondContact O-N 2.84Å; H143-H146 AromaticContact ND1-CD2 3.86Å; H143-H146 WeakPolarHBondContact O-CB 3.3Å; H143-H146 PolarHBondContact O-N 3.05Å; H146-R148 PolarHBondContact O-N 3.1Å; H146-R148 VanDerWaalsContact O-N 3.14Å; H146-W149 CarbonylContact O-C 3.46Å; H146-W149 PolarHBondContact O-N 3.16Å; H146-L150 WeakPolarHBondContact CE1-CD1 3.38Å; H146-L150 WeakPolarHBondContact O-CA 3.2Å; H146-L150 WeakPolarHBondContact O-CB 3.46Å; H146-L150 PolarHBondContact O-N 3.16Å; H146-D156 IonicContact CE1-OD2 2.9Å; H146-D156 IonicContact CG-OD1 3.9Å; H146-D156 IonicContact CG-OD2 3.72Å; H146-D156 VanDerWaalsContact ND1-CG 3.31Å; H146-D156 IonicContact ND1-OD1 2.85Å; H146-D156 PolarHBondContact ND1-OD1 3.05Å; H146-D156 VanDerWaalsContact ND1-OD1 3.17Å; H146-D156 IonicContact ND1-OD2 2.7Å; H146-D156 PolarHBondContact ND1-OD2 3.04Å; H146-D158 IonicContact CE1-OD2 3.63Å; H146-D158 IonicContact CG-OD2 3.34Å; H146-D158 IonicContact ND1-OD2 2.95Å; H146-H248 AromaticContact CE1-CD2 3.54Å; H146-H248 AromaticContact CE1-CE1 4Å; H146-H248 AromaticContact CE1-NE2 3.28Å; H146-H248 PolarHBondContact CE1-NE2 3.17Å; H146-H248 VanDerWaalsContact CE1-NE2 3.28Å; H146-H248 AromaticContact NE2-CD2 3.83Å; H146-H248 AromaticContact NE2-CE1 3.88Å; H146-H248 AromaticContact NE2-NE2 3.13Å; H146-H248 PolarHBondContact NE2-NE2 3.44Å; H146-H248 VanDerWaalsContact NE2-NE2 3.13Å; H146-H278 AromaticContact CD2-CE1 3.83Å; H146-H278 AromaticContact NE2-CE1 3.27Å; H146-H278 PolarHBondContact NE2-CE1 3.03Å; H146-H278 VanDerWaalsContact NE2-CE1 3.27Å; H146-H278 AromaticContact NE2-NE2 3.49Å; H146-H278 PolarHBondContact NE2-NE2 2.59Å
147H91.7Very high90.1Very high26 Ų2626.3 Ų26.312%0.1212%0.117CC..Hα-helixtrans-60.6-27.8175-83.5-76.3000114.3H108 H143 A145 H277 H278H108-H147 AromaticContact CE1-CD2 3.41Å; H108-H147 PolarHBondContact CE1-CD2 3.1Å; H108-H147 VanDerWaalsContact CE1-CD2 3.41Å; H108-H147 AromaticContact CE1-NE2 3.33Å; H108-H147 PolarHBondContact CE1-NE2 3.47Å; H108-H147 VanDerWaalsContact CE1-NE2 3.33Å; H108-H147 AromaticContact NE2-CD2 3.75Å; H108-H147 AromaticContact NE2-NE2 3.25Å; H108-H147 PolarHBondContact NE2-NE2 3.01Å; H143-H147 AromaticContact CD2-CD2 3.99Å; H143-H147 AromaticContact CE1-CD2 3.55Å; H143-H147 AromaticContact CE1-NE2 3.27Å; H143-H147 PolarHBondContact CE1-NE2 3.19Å; H143-H147 VanDerWaalsContact CE1-NE2 3.27Å; H143-H147 AromaticContact NE2-CD2 3.37Å; H143-H147 PolarHBondContact NE2-CD2 2.92Å; H143-H147 AromaticContact NE2-NE2 3.09Å; H143-H147 PolarHBondContact NE2-NE2 3.38Å; H143-H147 PolarHBondContact O-CD2 3.09Å; H143-H147 PolarHBondContact O-N 3.06Å; H143-H147 VanDerWaalsContact O-N 3.09Å; A145-H147 PolarHBondContact O-N 2.87Å; H147-H277 AromaticContact CE1-CD2 3.54Å; H147-H277 AromaticContact CE1-NE2 3.24Å; H147-H277 PolarHBondContact CE1-NE2 3.27Å; H147-H277 AromaticContact NE2-CD2 3.79Å; H147-H277 AromaticContact NE2-NE2 3.11Å; H147-H277 PolarHBondContact NE2-NE2 3.42Å; H147-H277 VanDerWaalsContact NE2-NE2 3.11Å; H147-H278 AromaticContact CE1-CD2 3.79Å; H147-H278 AromaticContact CE1-CE1 3.66Å; H147-H278 AromaticContact CE1-CG 3.81Å; H147-H278 AromaticContact CE1-ND1 3.74Å; H147-H278 AromaticContact CE1-NE2 3.67Å; H147-H278 AromaticContact ND1-CE1 3.62Å; H147-H278 AromaticContact ND1-CG 3.93Å; H147-H278 AromaticContact ND1-ND1 3.49Å; H147-H278 PolarHBondContact ND1-ND1 3.49Å
148R85.3Confident89.9Confident154 Ų15427 Ų2758%0.58112%0.121SC*.Hα-helixtrans-84.3-33.4180-177.2174.9175.1177.5-4.1112.4Q144 A145 H146Q144-R148 PolarHBondContact O-N 3.06Å; A145-R148 CarbonylContact O-C 3.07Å; A145-R148 WeakPolarHBondContact O-CA 3.35Å; A145-R148 WeakPolarHBondContact O-CB 3.46Å; A145-R148 PolarHBondContact O-N 2.6Å; H146-R148 PolarHBondContact O-N 3.1Å; H146-R148 VanDerWaalsContact O-N 3.14Å
149W82.6Confident89.7Confident25 Ų2525.4 Ų25.410%0.09511%0.11CC..Hα-helixtrans-121.825.6-170-56.6120.8000112.5A145 H146 G151 H152 D156 I338 Y339A145-W149 WeakPolarHBondContact O-CB 3.43Å; A145-W149 VanDerWaalsContact O-CD1 3.22Å; A145-W149 PolarHBondContact O-N 3.22Å; H146-W149 CarbonylContact O-C 3.46Å; H146-W149 PolarHBondContact O-N 3.16Å; W149-G151 PolarHBondContact O-N 3.37Å; W149-G151 VanDerWaalsContact O-N 3.1Å; W149-H152 HydrophobicContact CB-CB 4.04Å; W149-H152 WeakPolarHBondContact O-CB 3.43Å; W149-H152 PolarHBondContact O-N 3.11Å; W149-D156 HydrophobicContact CB-CB 4.46Å; W149-D156 WeakPolarHBondContact O-CB 3.36Å; W149-I338 HydrophobicContact CH2-CG2 3.19Å; W149-I338 HydrophobicContact CZ2-CG2 4.19Å; W149-I338 HydrophobicContact CZ3-CG2 3.82Å; W149-Y339 HydrophobicContact CE3-CE1 4.38Å; W149-Y339 AromaticContact CZ3-CE1 3.98Å; W149-Y339 HydrophobicContact CZ3-CE1 3.98Å
150L86.8Confident89.6Confident4 Ų423.4 Ų23.42%0.02110%0.102CC..THydrogen-bonded Turntrans-45.1119.1-170.5173.561.9000111.8P31 H146 H152 H248 T329P31-L150 HydrophobicContact CG-CD2 4.49Å; H146-L150 WeakPolarHBondContact CE1-CD1 3.38Å; H146-L150 WeakPolarHBondContact O-CA 3.2Å; H146-L150 WeakPolarHBondContact O-CB 3.46Å; H146-L150 PolarHBondContact O-N 3.16Å; L150-H152 VanDerWaalsContact C-N 3.26Å; L150-H152 PolarHBondContact O-N 2.8Å; L150-H248 VanDerWaalsContact CD1-CE1 3.44Å; L150-H248 WeakPolarHBondContact CD1-CE1 3.38Å; L150-T329 VanDerWaalsContact O-CG2 3.27Å; L150-T329 WeakPolarHBondContact O-CG2 3.43Å; L150-T329 PolarHBondContact O-OG1 2.56Å
151G84.5Confident89.5Confident1 Ų121.4 Ų21.41%0.0110%0.096CC..THydrogen-bonded Turntrans77.90.7177.700000115.5W149 E153 D156 V328 T329W149-G151 PolarHBondContact O-N 3.37Å; W149-G151 VanDerWaalsContact O-N 3.1Å; G151-E153 PolarHBondContact O-N 2.99Å; G151-D156 PolarHBondContact N-OD2 3.15Å; G151-D156 VanDerWaalsContact N-OD2 3.09Å; G151-V328 WeakPolarHBondContact O-CA 3.4Å; G151-T329 PolarHBondContact O-N 3.31Å; G151-T329 VanDerWaalsContact O-N 3.14Å
152H84Confident89.4Confident6 Ų622.9 Ų22.93%0.02811%0.105CC..  trans-74.2122.9175.5-175.8-59.8000110.1W149 L150 D154 G155 D156 T329 Y339W149-H152 HydrophobicContact CB-CB 4.04Å; W149-H152 WeakPolarHBondContact O-CB 3.43Å; W149-H152 PolarHBondContact O-N 3.11Å; L150-H152 VanDerWaalsContact C-N 3.26Å; L150-H152 PolarHBondContact O-N 2.8Å; H152-D154 VanDerWaalsContact C-N 3.34Å; H152-D154 PolarHBondContact ND1-N 2.62Å; H152-D154 VanDerWaalsContact ND1-N 3.16Å; H152-D154 PolarHBondContact O-N 2.82Å; H152-D154 VanDerWaalsContact O-N 3.12Å; H152-G155 PolarHBondContact ND1-N 3.28Å; H152-G155 PolarHBondContact O-N 3.31Å; H152-D156 WeakPolarHBondContact O-CB 3.11Å; H152-D156 PolarHBondContact O-N 3.24Å; H152-T329 PolarHBondContact N-OG1 2.81Å; H152-Y339 AromaticContact CD2-CE1 3.87Å; H152-Y339 AromaticContact NE2-CE1 3.57Å
153E81.5Confident89.3Confident37 Ų3726.8 Ų26.817%0.17312%0.123CC..THydrogen-bonded Turntrans-48.1-47.8-172.3176.9162.3-157.100115.1Y14 G151 L162 K192Y14-E153 HydrophobicContact CE2-CG 4.36Å; Y14-E153 WeakPolarHBondContact OH-CG 3.34Å; Y14-E153 PolarHBondContact OH-OE1 3.38Å; G151-E153 PolarHBondContact O-N 2.99Å; E153-L162 WeakPolarHBondContact OE1-CD2 3.24Å; E153-K192 WeakPolarHBondContact O-CD 3.26Å; E153-K192 PolarHBondContact O-NZ 2.79Å
154D80.2Confident89.3Confident22 Ų2226.6 Ų26.612%0.11812%0.122CC..THydrogen-bonded Turntrans-101.4-15.3-179.5-64.4-47.8000115.2H152 H193 L344 L348H152-D154 VanDerWaalsContact C-N 3.34Å; H152-D154 PolarHBondContact ND1-N 2.62Å; H152-D154 VanDerWaalsContact ND1-N 3.16Å; H152-D154 PolarHBondContact O-N 2.82Å; H152-D154 VanDerWaalsContact O-N 3.12Å; D154-H193 WeakPolarHBondContact O-CB 3.47Å; D154-L344 HydrophobicContact CB-CD2 3.53Å; D154-L348 WeakPolarHBondContact OD2-CD1 3.32Å
155G82.7Confident89.3Confident0 Ų024 Ų240%011%0.11CC..THydrogen-bonded Turntrans-94-25.1-173.400000112.5H152H152-G155 PolarHBondContact ND1-N 3.28Å; H152-G155 PolarHBondContact O-N 3.31Å
156D90.2Very high89.5Confident0 Ų030 Ų300%013%0.134CC..  trans-106.6113.2176.7-172.9-2.6000110H146 W149 G151 H152 D158 M159H146-D156 IonicContact CE1-OD2 2.9Å; H146-D156 IonicContact CG-OD1 3.9Å; H146-D156 IonicContact CG-OD2 3.72Å; H146-D156 VanDerWaalsContact ND1-CG 3.31Å; H146-D156 IonicContact ND1-OD1 2.85Å; H146-D156 PolarHBondContact ND1-OD1 3.05Å; H146-D156 VanDerWaalsContact ND1-OD1 3.17Å; H146-D156 IonicContact ND1-OD2 2.7Å; H146-D156 PolarHBondContact ND1-OD2 3.04Å; W149-D156 HydrophobicContact CB-CB 4.46Å; W149-D156 WeakPolarHBondContact O-CB 3.36Å; G151-D156 PolarHBondContact N-OD2 3.15Å; G151-D156 VanDerWaalsContact N-OD2 3.09Å; H152-D156 WeakPolarHBondContact O-CB 3.11Å; H152-D156 PolarHBondContact O-N 3.24Å; D156-D158 PolarHBondContact O-N 3.35Å; D156-D158 WeakPolarHBondContact OD1-CB 3.32Å; D156-D158 PolarHBondContact OD1-N 2.68Å; D156-M159 HydrophobicContact CB-CG 3.99Å; D156-M159 WeakPolarHBondContact O-CB 3.3Å; D156-M159 PolarHBondContact O-N 3.32Å
157A92.7Very high89.6Confident2 Ų235 Ų352%0.01716%0.16CC..THydrogen-bonded Turntrans-73.3-12.9-179.400000112.8Y142 M159 R188 P189Y142-A157 HydrophobicContact CD1-CB 3.85Å; Y142-A157 HydrophobicContact CG-CB 4.42Å; A157-M159 VanDerWaalsContact C-N 3.28Å; A157-R188 WeakPolarHBondContact O-CB 3.3Å; A157-R188 WeakPolarHBondContact O-CD 3.3Å; A157-P189 HydrophobicContact CB-CB 4.28Å; A157-P189 HydrophobicContact CB-CG 4.08Å
158D93.9Very high89.9Confident25 Ų2534.4 Ų34.413%0.13416%0.157CC..THydrogen-bonded Turntrans-74.8-24.8178-69.7-3.5000111.1H146 D156 Y185 R188H146-D158 IonicContact CE1-OD2 3.63Å; H146-D158 IonicContact CG-OD2 3.34Å; H146-D158 IonicContact ND1-OD2 2.95Å; D156-D158 PolarHBondContact O-N 3.35Å; D156-D158 WeakPolarHBondContact OD1-CB 3.32Å; D156-D158 PolarHBondContact OD1-N 2.68Å; D158-Y185 HydrophobicContact CB-CE2 4.35Å; D158-Y185 VanDerWaalsContact OD1-CE2 3.26Å; D158-Y185 WeakPolarHBondContact OD1-CE2 3.24Å; D158-Y185 PolarHBondContact OD1-OH 3.04Å; D158-Y185 PolarHBondContact OD2-OH 2.9Å; D158-R188 PolarHBondContact O-NH1 3Å
159M92.2Very high90.3Very high0 Ų030.3 Ų30.30%015%0.149CC..SBendtrans-56.5130.5175.8-73.5-62.3-48.800111.9Y14 D156 A157 R188 K192 H326 C327 V328Y14-M159 HydrophobicContact CD1-CE 3.55Å; Y14-M159 HydrophobicContact CE1-CE 3.73Å; Y14-M159 HydrophobicContact CG-CE 4.04Å; D156-M159 HydrophobicContact CB-CG 3.99Å; D156-M159 WeakPolarHBondContact O-CB 3.3Å; D156-M159 PolarHBondContact O-N 3.32Å; A157-M159 VanDerWaalsContact C-N 3.28Å; M159-R188 WeakPolarHBondContact O-CD 2.98Å; M159-K192 HydrophobicContact CB-CD 4.41Å; M159-K192 WeakPolarHBondContact O-CD 3.38Å; M159-K192 WeakPolarHBondContact O-CE 3.09Å; M159-K192 PolarHBondContact O-NZ 3.04Å; M159-H326 HydrophobicContact CE-CB 4.39Å; M159-H326 PolarHBondContact SD-CE1 3.36Å; M159-H326 PolarHBondContact SD-ND1 2.99Å; M159-C327 VanDerWaalsContact SD-O 3.41Å; M159-V328 HydrophobicContact CE-CG2 3.37Å; M159-V328 HydrophobicContact SD-CG2 4.43Å
160P95.1Very high90.9Very high0 Ų034.4 Ų34.40%017%0.169CC..PPolyproline II helixtrans-54.2152.7174-28.136.6000113.4Y14 E164 V165 K192 P323 H326Y14-P160 VanDerWaalsContact CE1-O 3.3Å; Y14-P160 WeakPolarHBondContact CE1-O 3.36Å; P160-E164 HydrophobicContact CB-CB 4.34Å; P160-V165 HydrophobicContact CB-CG2 4.04Å; P160-K192 WeakPolarHBondContact O-CE 3.46Å; P160-K192 PolarHBondContact O-NZ 3.39Å; P160-P323 HydrophobicContact CB-CB 4Å; P160-P323 HydrophobicContact CG-CB 4.1Å; P160-H326 HydrophobicContact CG-CB 4.18Å
161L94.3Very high91.4Very high16 Ų1636.2 Ų36.28%0.08418%0.181CC..PPolyproline II helixtrans-74150.7170.7-62.5164000110F163 E164 V165 R188 I191 K192L161-F163 HydrophobicContact CB-CD1 3.75Å; L161-F163 HydrophobicContact CB-CE1 3.74Å; L161-F163 HydrophobicContact CD1-CD1 4.22Å; L161-F163 HydrophobicContact CD1-CE1 3.41Å; L161-F163 VanDerWaalsContact CD1-CE1 3.41Å; L161-F163 HydrophobicContact CD1-CZ 4.1Å; L161-F163 HydrophobicContact CG-CE1 4.18Å; L161-F163 PolarHBondContact O-N 2.82Å; L161-F163 VanDerWaalsContact O-N 3.11Å; L161-E164 HydrophobicContact CB-CG 4.08Å; L161-E164 WeakPolarHBondContact CB-OE1 3.27Å; L161-E164 WeakPolarHBondContact CG-OE1 3.45Å; L161-E164 PolarHBondContact N-OE1 3.41Å; L161-E164 WeakPolarHBondContact O-CA 3.48Å; L161-E164 WeakPolarHBondContact O-CB 3.48Å; L161-E164 PolarHBondContact O-N 3.46Å; L161-V165 PolarHBondContact O-N 2.91Å; L161-V165 VanDerWaalsContact O-N 3.16Å; L161-R188 HydrophobicContact CD1-CG 4.2Å; L161-R188 HydrophobicContact CG-CG 4.05Å; L161-I191 HydrophobicContact CD1-CD1 3.75Å; L161-I191 HydrophobicContact CD1-CG2 4.33Å; L161-I191 HydrophobicContact CD2-CB 4.16Å; L161-I191 HydrophobicContact CD2-CG2 3.61Å; L161-K192 HydrophobicContact CD2-CD 4.2Å; L161-K192 HydrophobicContact CD2-CG 3.56Å
162L91.6Very high92Very high70 Ų7041.8 Ų41.837%0.36621%0.21SC..Hα-helixtrans-54.5-33.8178.2-74.3174.6000113.5Y14 I18 E153 K166Y14-L162 HydrophobicContact CE2-CD2 3.89Å; Y14-L162 WeakPolarHBondContact OH-CD2 3.36Å; I18-L162 HydrophobicContact CD1-CD2 3.49Å; I18-L162 VanDerWaalsContact CD1-CD2 3.49Å; I18-L162 HydrophobicContact CG1-CD2 3.82Å; E153-L162 WeakPolarHBondContact OE1-CD2 3.24Å; L162-K166 VanDerWaalsContact O-CG 3.29Å; L162-K166 WeakPolarHBondContact O-CG 3.31Å; L162-K166 PolarHBondContact O-N 3.47Å; L162-K166 VanDerWaalsContact O-N 3.16Å
163F94.4Very high92.7Very high99 Ų9942.6 Ų42.643%0.43422%0.216SC..Hα-helixtrans-72.5-31.417683.7-98000112.1L161 K166 L167 F184L161-F163 HydrophobicContact CB-CD1 3.75Å; L161-F163 HydrophobicContact CB-CE1 3.74Å; L161-F163 HydrophobicContact CD1-CD1 4.22Å; L161-F163 HydrophobicContact CD1-CE1 3.41Å; L161-F163 VanDerWaalsContact CD1-CE1 3.41Å; L161-F163 HydrophobicContact CD1-CZ 4.1Å; L161-F163 HydrophobicContact CG-CE1 4.18Å; L161-F163 PolarHBondContact O-N 2.82Å; L161-F163 VanDerWaalsContact O-N 3.11Å; F163-K166 PolarHBondContact O-N 3.26Å; F163-L167 WeakPolarHBondContact O-CB 3.33Å; F163-L167 PolarHBondContact O-N 2.84Å; F163-F184 AromaticContact CE2-CE1 3.89Å; F163-F184 HydrophobicContact CE2-CE1 3.89Å; F163-F184 AromaticContact CE2-CZ 3.99Å; F163-F184 HydrophobicContact CE2-CZ 3.99Å; F163-F184 HydrophobicContact CZ-CD1 4.19Å; F163-F184 AromaticContact CZ-CE1 3.6Å; F163-F184 HydrophobicContact CZ-CE1 3.6Å; F163-F184 HydrophobicContact CZ-CZ 4.17Å
164E95.7Very high93.4Very high0 Ų041.6 Ų41.60%021%0.211CC..Hα-helixtrans-64.7-45.8176.7-64178.7-101.900109.9P160 L161 K166 L167 F168 W177 F184 R188 P323P160-E164 HydrophobicContact CB-CB 4.34Å; L161-E164 HydrophobicContact CB-CG 4.08Å; L161-E164 WeakPolarHBondContact CB-OE1 3.27Å; L161-E164 WeakPolarHBondContact CG-OE1 3.45Å; L161-E164 PolarHBondContact N-OE1 3.41Å; L161-E164 WeakPolarHBondContact O-CA 3.48Å; L161-E164 WeakPolarHBondContact O-CB 3.48Å; L161-E164 PolarHBondContact O-N 3.46Å; E164-K166 VanDerWaalsContact C-N 3.29Å; E164-K166 PolarHBondContact O-N 2.86Å; E164-L167 PolarHBondContact O-N 3.23Å; E164-F168 HydrophobicContact CB-CD2 4.03Å; E164-F168 HydrophobicContact CB-CE2 4.34Å; E164-F168 HydrophobicContact CG-CD2 4.49Å; E164-F168 HydrophobicContact CG-CE2 4.32Å; E164-F168 WeakPolarHBondContact O-CB 3.22Å; E164-F168 VanDerWaalsContact O-CD2 3.27Å; E164-F168 WeakPolarHBondContact O-CD2 3.47Å; E164-F168 PolarHBondContact O-N 3.15Å; E164-W177 PolarHBondContact OE2-NE1 3.26Å; E164-F184 HydrophobicContact CG-CD1 4.46Å; E164-F184 HydrophobicContact CG-CD2 4.27Å; E164-F184 HydrophobicContact CG-CE1 4.49Å; E164-F184 HydrophobicContact CG-CE2 4.25Å; E164-F184 HydrophobicContact CG-CG 4.37Å; E164-F184 HydrophobicContact CG-CZ 4.39Å; E164-F184 WeakPolarHBondContact OE2-CB 3.32Å; E164-F184 WeakPolarHBondContact OE2-CD2 3.12Å; E164-F184 WeakPolarHBondContact OE2-CG 3.38Å; E164-R188 IonicContact OE1-CZ 3.88Å; E164-R188 IonicContact OE1-NE 3.88Å; E164-R188 PolarHBondContact OE1-NE 2.93Å; E164-R188 IonicContact OE1-NH2 3.26Å; E164-R188 PolarHBondContact OE1-NH2 2.98Å; E164-R188 IonicContact OE2-CZ 3.54Å; E164-R188 IonicContact OE2-NE 3.5Å; E164-R188 IonicContact OE2-NH2 3.91Å; E164-R188 PolarHBondContact OE2-NH2 3.46Å; E164-P323 HydrophobicContact CB-CB 4.42Å
165V93.7Very high94.3Very high3 Ų344.9 Ų44.92%0.01822%0.224CC..Hα-helixtrans-55.2-43.2174.2172.80000111.7Y14 I18 P160 L161 T169 P323 Q324Y14-V165 HydrophobicContact CD1-CG2 3.43Å; Y14-V165 VanDerWaalsContact CD1-CG2 3.43Å; Y14-V165 HydrophobicContact CE1-CG2 3.64Å; Y14-V165 HydrophobicContact CG-CG2 4.2Å; I18-V165 HydrophobicContact CD1-CB 4.5Å; I18-V165 HydrophobicContact CD1-CG1 3.64Å; P160-V165 HydrophobicContact CB-CG2 4.04Å; L161-V165 PolarHBondContact O-N 2.91Å; L161-V165 VanDerWaalsContact O-N 3.16Å; V165-T169 WeakPolarHBondContact O-CG2 3.28Å; V165-P323 HydrophobicContact CG2-CB 4.48Å; V165-Q324 HydrophobicContact CB-CB 4.32Å; V165-Q324 HydrophobicContact CG1-CB 3.45Å; V165-Q324 VanDerWaalsContact CG1-CB 3.45Å
166K93.5Very high95Very high139 Ų13948.6 Ų48.660%0.60424%0.243SC*.Hα-helixtrans-79-37.2-177.9-70.2174.9-176.7-176.40113.3L162 F163 E164L162-K166 VanDerWaalsContact O-CG 3.29Å; L162-K166 WeakPolarHBondContact O-CG 3.31Å; L162-K166 PolarHBondContact O-N 3.47Å; L162-K166 VanDerWaalsContact O-N 3.16Å; F163-K166 PolarHBondContact O-N 3.26Å; E164-K166 VanDerWaalsContact C-N 3.29Å; E164-K166 PolarHBondContact O-N 2.86Å
167L95.5Very high95.3Very high107 Ų10748.6 Ų48.656%0.5624%0.243SC*.Hα-helixtrans-83.4-38.2-172.4-177.260.9000112.7F163 E164 T169F163-L167 WeakPolarHBondContact O-CB 3.33Å; F163-L167 PolarHBondContact O-N 2.84Å; E164-L167 PolarHBondContact O-N 3.23Å; L167-T169 PolarHBondContact O-N 3.13Å
168F96.5Very high95.5Very high12 Ų1248.9 Ų48.95%0.05324%0.244CC..  trans-9951.5-171-58.5-71.8000112.4E164 S173 R174 I176 W177 I180 F184 P323E164-F168 HydrophobicContact CB-CD2 4.03Å; E164-F168 HydrophobicContact CB-CE2 4.34Å; E164-F168 HydrophobicContact CG-CD2 4.49Å; E164-F168 HydrophobicContact CG-CE2 4.32Å; E164-F168 WeakPolarHBondContact O-CB 3.22Å; E164-F168 VanDerWaalsContact O-CD2 3.27Å; E164-F168 WeakPolarHBondContact O-CD2 3.47Å; E164-F168 PolarHBondContact O-N 3.15Å; F168-S173 WeakPolarHBondContact CA-OG 3.34Å; F168-S173 WeakPolarHBondContact CD1-O 3.33Å; F168-R174 WeakPolarHBondContact O-CG 3.49Å; F168-I176 HydrophobicContact CE1-CG2 4.41Å; F168-W177 HydrophobicContact CB-CB 4.09Å; F168-W177 HydrophobicContact CB-CG 4.35Å; F168-W177 HydrophobicContact CD1-CB 3.76Å; F168-W177 HydrophobicContact CD1-CG 4.47Å; F168-W177 HydrophobicContact CD2-CB 4.26Å; F168-W177 AromaticContact CD2-CD1 3.31Å; F168-W177 HydrophobicContact CD2-CG 4.11Å; F168-W177 HydrophobicContact CE1-CB 4.2Å; F168-W177 AromaticContact CE2-CD1 3.64Å; F168-W177 HydrophobicContact CG-CB 3.77Å; F168-W177 AromaticContact CG-CD1 3.7Å; F168-W177 HydrophobicContact CG-CG 4.06Å; F168-I180 HydrophobicContact CE1-CD1 4.19Å; F168-I180 HydrophobicContact CZ-CD1 3.79Å; F168-F184 HydrophobicContact CD2-CE2 4.49Å; F168-F184 AromaticContact CE2-CE2 3.52Å; F168-F184 HydrophobicContact CE2-CE2 3.52Å; F168-F184 AromaticContact CE2-CZ 3.73Å; F168-F184 HydrophobicContact CE2-CZ 3.73Å; F168-F184 AromaticContact CZ-CE2 3.7Å; F168-F184 HydrophobicContact CZ-CE2 3.7Å; F168-F184 AromaticContact CZ-CZ 3.83Å; F168-F184 HydrophobicContact CZ-CZ 3.83Å; F168-P323 HydrophobicContact CB-CG 3.95Å; F168-P323 WeakPolarHBondContact O-CD 3.46Å
169T93.7Very high95.6Very high68 Ų6851.6 Ų51.642%0.41726%0.258SS..  trans-96.1-18.7-175.954.20000113.8V165 L167 S173 R174V165-T169 WeakPolarHBondContact O-CG2 3.28Å; L167-T169 PolarHBondContact O-N 3.13Å; T169-S173 PolarHBondContact N-OG 3.04Å; T169-R174 VanDerWaalsContact O-CZ 3.23Å; T169-R174 PolarHBondContact O-NE 2.86Å; T169-R174 PolarHBondContact O-NH2 3.5Å
170H95.8Very high95.8Very high112 Ų11254 Ų5452%0.51927%0.27SS..SBendtrans-100147.6-179.9-171.7-90.5000111.6I172 S173 R174H170-I172 VanDerWaalsContact C-N 3.33Å; H170-I172 PolarHBondContact ND1-N 3.12Å; H170-I172 PolarHBondContact O-N 2.86Å; H170-I172 VanDerWaalsContact O-N 3.14Å; H170-S173 PolarHBondContact N-OG 3.37Å; H170-S173 CarbonylContact O-C 3.57Å; H170-S173 WeakPolarHBondContact O-CA 3.4Å; H170-S173 PolarHBondContact O-N 3.16Å; H170-S173 PolarHBondContact O-OG 3.33Å; H170-R174 WeakPolarHBondContact O-CG 3.09Å; H170-R174 PolarHBondContact O-N 3.24Å
171P97.1Very high95.8Very high41 Ų4154.5 Ų54.527%0.26627%0.272SS..Hα-helixtrans-48.6-45.5-177.2-32.736000115.5S173 R174 F175 V316 F317P171-S173 PolarHBondContact O-N 3.27Å; P171-R174 PolarHBondContact O-N 3.14Å; P171-F175 WeakPolarHBondContact O-CB 3.2Å; P171-F175 PolarHBondContact O-N 2.9Å; P171-V316 WeakPolarHBondContact CA-O 3.4Å; P171-V316 HydrophobicContact CB-CG1 4.16Å; P171-V316 WeakPolarHBondContact CB-O 3.11Å; P171-F317 HydrophobicContact CB-CD1 4.24Å; P171-F317 HydrophobicContact CB-CE1 4.44Å
172I97.8Very high95.9Very high119 Ų11954.6 Ų54.661%0.6127%0.274SS*.Hα-helixtrans-59.7-46.2176.8-62173000111.2H170 F175 I176H170-I172 VanDerWaalsContact C-N 3.33Å; H170-I172 PolarHBondContact ND1-N 3.12Å; H170-I172 PolarHBondContact O-N 2.86Å; H170-I172 VanDerWaalsContact O-N 3.14Å; I172-F175 PolarHBondContact O-N 3.45Å; I172-I176 HydrophobicContact CG2-CD1 4.13Å; I172-I176 WeakPolarHBondContact O-CG1 3.29Å; I172-I176 PolarHBondContact O-N 3.07Å
173S97.6Very high96Very high23 Ų2355.7 Ų55.716%0.16128%0.279CS..Hα-helixtrans-66.7-40.7178.664.40000111.5F168 T169 H170 P171 F175 I176 W177F168-S173 WeakPolarHBondContact CA-OG 3.34Å; F168-S173 WeakPolarHBondContact CD1-O 3.33Å; T169-S173 PolarHBondContact N-OG 3.04Å; H170-S173 PolarHBondContact N-OG 3.37Å; H170-S173 CarbonylContact O-C 3.57Å; H170-S173 WeakPolarHBondContact O-CA 3.4Å; H170-S173 PolarHBondContact O-N 3.16Å; H170-S173 PolarHBondContact O-OG 3.33Å; P171-S173 PolarHBondContact O-N 3.27Å; S173-F175 VanDerWaalsContact C-N 3.32Å; S173-F175 PolarHBondContact O-N 3.14Å; S173-I176 CarbonylContact O-C 3.59Å; S173-I176 WeakPolarHBondContact O-CB 3.3Å; S173-I176 PolarHBondContact O-N 3.24Å; S173-I176 VanDerWaalsContact O-N 3.15Å; S173-W177 PolarHBondContact O-N 3.41Å
174R97.6Very high96Very high16 Ų1652.7 Ų52.76%0.0627%0.266CS..Hα-helixtrans-61.8-39.1174.5-66179.6-157.7173.41.2112.3F168 T169 H170 P171 W177 L178 F315 A318 N321F168-R174 WeakPolarHBondContact O-CG 3.49Å; T169-R174 VanDerWaalsContact O-CZ 3.23Å; T169-R174 PolarHBondContact O-NE 2.86Å; T169-R174 PolarHBondContact O-NH2 3.5Å; H170-R174 WeakPolarHBondContact O-CG 3.09Å; H170-R174 PolarHBondContact O-N 3.24Å; P171-R174 PolarHBondContact O-N 3.14Å; R174-W177 WeakPolarHBondContact O-CB 3.33Å; R174-W177 PolarHBondContact O-N 3.32Å; R174-L178 PolarHBondContact O-N 3.44Å; R174-F315 HydrophobicContact CB-CD1 4.3Å; R174-F315 HydrophobicContact CB-CE1 4.06Å; R174-F315 WeakPolarHBondContact CD-O 3.29Å; R174-F315 PolarHBondContact NH1-O 2.83Å; R174-A318 PolarHBondContact NH1-O 3.4Å; R174-N321 VanDerWaalsContact CZ-C 3.47Å; R174-N321 PolarHBondContact NE-O 3.22Å; R174-N321 VanDerWaalsContact NE-O 3.1Å; R174-N321 PolarHBondContact NH1-O 3.37Å; R174-N321 VanDerWaalsContact NH1-O 3.13Å; R174-N321 PolarHBondContact NH2-O 3.31Å
175F97.8Very high95.9Very high90 Ų9055.1 Ų55.140%0.39528%0.276SS..Hα-helixtrans-63.6-43.8173.5179.5-101.4000111.8P171 I172 S173 W177 L178 I179 L237 V316P171-F175 WeakPolarHBondContact O-CB 3.2Å; P171-F175 PolarHBondContact O-N 2.9Å; I172-F175 PolarHBondContact O-N 3.45Å; S173-F175 VanDerWaalsContact C-N 3.32Å; S173-F175 PolarHBondContact O-N 3.14Å; F175-W177 VanDerWaalsContact C-N 3.28Å; F175-W177 PolarHBondContact O-N 3.35Å; F175-L178 WeakPolarHBondContact O-CB 3.27Å; F175-L178 PolarHBondContact O-N 2.94Å; F175-I179 HydrophobicContact CD1-CD1 4.15Å; F175-I179 HydrophobicContact CE1-CD1 3.66Å; F175-I179 HydrophobicContact CZ-CD1 4.14Å; F175-I179 PolarHBondContact O-N 3.16Å; F175-L237 HydrophobicContact CE2-CD1 4.16Å; F175-L237 HydrophobicContact CE2-CD2 3.7Å; F175-L237 HydrophobicContact CZ-CD2 3.74Å; F175-V316 HydrophobicContact CB-CG1 4.17Å; F175-V316 HydrophobicContact CB-CG2 4.25Å; F175-V316 HydrophobicContact CD2-CG2 4.46Å
176I97.5Very high95.9Very high78 Ų7857.5 Ų57.540%0.430%0.296SS..Hα-helixtrans-60.1-41.4172.9-68.2165.9000110.5F168 I172 S173 L178 I179 I180F168-I176 HydrophobicContact CE1-CG2 4.41Å; I172-I176 HydrophobicContact CG2-CD1 4.13Å; I172-I176 WeakPolarHBondContact O-CG1 3.29Å; I172-I176 PolarHBondContact O-N 3.07Å; S173-I176 CarbonylContact O-C 3.59Å; S173-I176 WeakPolarHBondContact O-CB 3.3Å; S173-I176 PolarHBondContact O-N 3.24Å; S173-I176 VanDerWaalsContact O-N 3.15Å; I176-L178 VanDerWaalsContact C-N 3.31Å; I176-L178 PolarHBondContact O-N 3.43Å; I176-I179 WeakPolarHBondContact O-CB 3.13Å; I176-I179 PolarHBondContact O-N 2.8Å; I176-I180 HydrophobicContact CG2-CD1 4.15Å; I176-I180 WeakPolarHBondContact O-CG1 3.44Å; I176-I180 PolarHBondContact O-N 2.89Å; I176-I180 VanDerWaalsContact O-N 3.1Å
177W97.5Very high95.9Very high1 Ų156.6 Ų56.60%0.00429%0.292CS..Hα-helixtrans-56.7-43.9176.3-174.490.2000111.6E164 F168 S173 R174 F175 I179 I180 H181 F184 R188 I245 F315 P323E164-W177 PolarHBondContact OE2-NE1 3.26Å; F168-W177 HydrophobicContact CB-CB 4.09Å; F168-W177 HydrophobicContact CB-CG 4.35Å; F168-W177 HydrophobicContact CD1-CB 3.76Å; F168-W177 HydrophobicContact CD1-CG 4.47Å; F168-W177 HydrophobicContact CD2-CB 4.26Å; F168-W177 AromaticContact CD2-CD1 3.31Å; F168-W177 HydrophobicContact CD2-CG 4.11Å; F168-W177 HydrophobicContact CE1-CB 4.2Å; F168-W177 AromaticContact CE2-CD1 3.64Å; F168-W177 HydrophobicContact CG-CB 3.77Å; F168-W177 AromaticContact CG-CD1 3.7Å; F168-W177 HydrophobicContact CG-CG 4.06Å; S173-W177 PolarHBondContact O-N 3.41Å; R174-W177 WeakPolarHBondContact O-CB 3.33Å; R174-W177 PolarHBondContact O-N 3.32Å; F175-W177 VanDerWaalsContact C-N 3.28Å; F175-W177 PolarHBondContact O-N 3.35Å; W177-I179 PolarHBondContact O-N 2.8Å; W177-I180 CarbonylContact O-C 3.55Å; W177-I180 PolarHBondContact O-N 3.03Å; W177-H181 HydrophobicContact CD2-CB 4.4Å; W177-H181 AromaticContact CE2-CD2 3.95Å; W177-H181 HydrophobicContact CE3-CB 4.06Å; W177-H181 HydrophobicContact CH2-CB 4.39Å; W177-H181 AromaticContact CH2-CD2 3.12Å; W177-H181 WeakPolarHBondContact CH2-CD2 3.46Å; W177-H181 AromaticContact CH2-CG 3.8Å; W177-H181 AromaticContact CH2-NE2 3.59Å; W177-H181 AromaticContact CZ2-CD2 3.34Å; W177-H181 WeakPolarHBondContact CZ2-CD2 3.39Å; W177-H181 HydrophobicContact CZ3-CB 4.03Å; W177-H181 AromaticContact CZ3-CD2 3.62Å; W177-H181 AromaticContact CZ3-CG 3.81Å; W177-H181 WeakPolarHBondContact O-CA 3.37Å; W177-H181 VanDerWaalsContact O-CB 3.24Å; W177-H181 WeakPolarHBondContact O-CB 3.48Å; W177-H181 PolarHBondContact O-N 2.68Å; W177-F184 AromaticContact CD1-CD2 3.78Å; W177-F184 AromaticContact CD1-CE2 3.71Å; W177-F184 AromaticContact NE1-CD2 3.73Å; W177-R188 VanDerWaalsContact CZ2-NH2 3.29Å; W177-I245 HydrophobicContact CZ3-CD1 4.29Å; W177-F315 HydrophobicContact CD2-CE1 4.23Å; W177-F315 AromaticContact CD2-CZ 3.94Å; W177-F315 HydrophobicContact CD2-CZ 3.94Å; W177-F315 AromaticContact CE3-CE1 3.48Å; W177-F315 HydrophobicContact CE3-CE1 3.48Å; W177-F315 VanDerWaalsContact CE3-CE1 3.48Å; W177-F315 HydrophobicContact CE3-CE2 4.45Å; W177-F315 AromaticContact CE3-CZ 3.35Å; W177-F315 HydrophobicContact CE3-CZ 3.35Å; W177-F315 HydrophobicContact CH2-CZ 4.07Å; W177-F315 AromaticContact CZ3-CE1 3.89Å; W177-F315 HydrophobicContact CZ3-CE1 3.89Å; W177-F315 HydrophobicContact CZ3-CE2 4.18Å; W177-F315 AromaticContact CZ3-CZ 3.46Å; W177-F315 HydrophobicContact CZ3-CZ 3.46Å; W177-F315 VanDerWaalsContact CZ3-CZ 3.46Å; W177-P323 HydrophobicContact CD2-CG 3.97Å; W177-P323 HydrophobicContact CG-CG 4Å; W177-P323 HydrophobicContact CZ2-CB 4.49Å; W177-P323 HydrophobicContact CZ2-CG 4.12Å
178L96.9Very high95.9Very high8 Ų851.6 Ų51.64%0.04227%0.266CS..Hα-helixtrans-58.3-36.2176-66.8178000112.9R174 F175 I176 L237 I245 L312 F315 V316R174-L178 PolarHBondContact O-N 3.44Å; F175-L178 WeakPolarHBondContact O-CB 3.27Å; F175-L178 PolarHBondContact O-N 2.94Å; I176-L178 VanDerWaalsContact C-N 3.31Å; I176-L178 PolarHBondContact O-N 3.43Å; L178-L237 HydrophobicContact CB-CD1 3.99Å; L178-L237 HydrophobicContact CD1-CD1 3.94Å; L178-I245 HydrophobicContact CD2-CD1 3.47Å; L178-I245 VanDerWaalsContact CD2-CD1 3.47Å; L178-L312 HydrophobicContact CD1-CD2 4.19Å; L178-L312 HydrophobicContact CD2-CD2 3.85Å; L178-F315 HydrophobicContact CD1-CD1 4.23Å; L178-F315 HydrophobicContact CD2-CD1 3.68Å; L178-F315 HydrophobicContact CD2-CE1 3.78Å; L178-F315 HydrophobicContact CD2-CG 4.48Å; L178-F315 HydrophobicContact CG-CD1 3.93Å; L178-F315 HydrophobicContact CG-CE1 4.03Å; L178-V316 HydrophobicContact CD1-CG2 3.56Å
179I96.7Very high95.7Very high82 Ų8251.9 Ų51.942%0.42127%0.268SS..Hα-helixtrans-70-42.6179.3-64170.2000110.9F175 I176 W177 L237F175-I179 HydrophobicContact CD1-CD1 4.15Å; F175-I179 HydrophobicContact CE1-CD1 3.66Å; F175-I179 HydrophobicContact CZ-CD1 4.14Å; F175-I179 PolarHBondContact O-N 3.16Å; I176-I179 WeakPolarHBondContact O-CB 3.13Å; I176-I179 PolarHBondContact O-N 2.8Å; W177-I179 PolarHBondContact O-N 2.8Å; I179-L237 HydrophobicContact CG1-CB 4.37Å; I179-L237 HydrophobicContact CG1-CD2 4.31Å
180I95.8Very high95.6Very high49 Ų4954.8 Ų54.825%0.25128%0.275SS..Hα-helixtrans-95.2-2.8-175.868.4-177.1000113.4F168 I176 W177 P182 I183 F184F168-I180 HydrophobicContact CE1-CD1 4.19Å; F168-I180 HydrophobicContact CZ-CD1 3.79Å; I176-I180 HydrophobicContact CG2-CD1 4.15Å; I176-I180 WeakPolarHBondContact O-CG1 3.44Å; I176-I180 PolarHBondContact O-N 2.89Å; I176-I180 VanDerWaalsContact O-N 3.1Å; W177-I180 CarbonylContact O-C 3.55Å; W177-I180 PolarHBondContact O-N 3.03Å; I180-P182 VanDerWaalsContact C-N 3.32Å; I180-I183 WeakPolarHBondContact O-CB 3.26Å; I180-I183 PolarHBondContact O-N 2.93Å; I180-F184 HydrophobicContact CD1-CD2 4.31Å; I180-F184 HydrophobicContact CD1-CE2 3.36Å; I180-F184 HydrophobicContact CD1-CZ 3.6Å; I180-F184 HydrophobicContact CG1-CD2 3.98Å; I180-F184 HydrophobicContact CG1-CE2 3.51Å; I180-F184 HydrophobicContact CG1-CZ 4.17Å; I180-F184 PolarHBondContact O-N 2.8Å
181H95.6Very high95.3Very high11 Ų1154 Ų545%0.05127%0.274CS..Hα-helixtrans-50.3-43-179174.6-112.4000113.2W177 I183 F184 Y185 F244W177-H181 HydrophobicContact CD2-CB 4.4Å; W177-H181 AromaticContact CE2-CD2 3.95Å; W177-H181 HydrophobicContact CE3-CB 4.06Å; W177-H181 HydrophobicContact CH2-CB 4.39Å; W177-H181 AromaticContact CH2-CD2 3.12Å; W177-H181 WeakPolarHBondContact CH2-CD2 3.46Å; W177-H181 AromaticContact CH2-CG 3.8Å; W177-H181 AromaticContact CH2-NE2 3.59Å; W177-H181 AromaticContact CZ2-CD2 3.34Å; W177-H181 WeakPolarHBondContact CZ2-CD2 3.39Å; W177-H181 HydrophobicContact CZ3-CB 4.03Å; W177-H181 AromaticContact CZ3-CD2 3.62Å; W177-H181 AromaticContact CZ3-CG 3.81Å; W177-H181 WeakPolarHBondContact O-CA 3.37Å; W177-H181 VanDerWaalsContact O-CB 3.24Å; W177-H181 WeakPolarHBondContact O-CB 3.48Å; W177-H181 PolarHBondContact O-N 2.68Å; H181-I183 PolarHBondContact O-N 3.32Å; H181-I183 VanDerWaalsContact O-N 3.16Å; H181-F184 PolarHBondContact O-N 2.98Å; H181-F184 VanDerWaalsContact O-N 3.08Å; H181-Y185 WeakPolarHBondContact O-CB 3.26Å; H181-Y185 PolarHBondContact O-N 2.98Å; H181-F244 AromaticContact CE1-CD2 3.98Å; H181-F244 AromaticContact CE1-CG 3.96Å
182P94.9Very high94.8Very high18 Ų1852.5 Ų52.512%0.11726%0.263CS..Hα-helixtrans-57.5-34177.9-26.936.8000113.3I180 A186 L235 G236I180-P182 VanDerWaalsContact C-N 3.32Å; P182-A186 VanDerWaalsContact O-CB 3.28Å; P182-A186 WeakPolarHBondContact O-CB 3.09Å; P182-A186 PolarHBondContact O-N 3.4Å; P182-L235 HydrophobicContact CB-CB 4.14Å; P182-L235 VanDerWaalsContact CG-C 3.45Å; P182-L235 HydrophobicContact CG-CB 3.96Å; P182-G236 VanDerWaalsContact CG-N 3.28Å
183I94Very high94.1Very high94 Ų9447.4 Ų47.448%0.48224%0.237SC..Hα-helixtrans-70.8-48.3177.9-56.5174.8000109.1I180 H181 Y185 A186 F187I180-I183 WeakPolarHBondContact O-CB 3.26Å; I180-I183 PolarHBondContact O-N 2.93Å; H181-I183 PolarHBondContact O-N 3.32Å; H181-I183 VanDerWaalsContact O-N 3.16Å; I183-Y185 PolarHBondContact O-N 3.23Å; I183-A186 PolarHBondContact O-N 2.92Å; I183-F187 HydrophobicContact CG2-CD2 3.8Å; I183-F187 HydrophobicContact CG2-CE2 4.02Å; I183-F187 VanDerWaalsContact O-CD2 3.26Å; I183-F187 WeakPolarHBondContact O-CD2 3.26Å; I183-F187 PolarHBondContact O-N 3.11Å; I183-F187 VanDerWaalsContact O-N 3.07Å
184F94.8Very high93.8Very high35 Ų3550 Ų5015%0.15425%0.253CS..Hα-helixtrans-59.2-48.3175.9-69.6-43.6000111.9F163 E164 F168 W177 I180 H181 A186 F187 R188F163-F184 AromaticContact CE2-CE1 3.89Å; F163-F184 HydrophobicContact CE2-CE1 3.89Å; F163-F184 AromaticContact CE2-CZ 3.99Å; F163-F184 HydrophobicContact CE2-CZ 3.99Å; F163-F184 HydrophobicContact CZ-CD1 4.19Å; F163-F184 AromaticContact CZ-CE1 3.6Å; F163-F184 HydrophobicContact CZ-CE1 3.6Å; F163-F184 HydrophobicContact CZ-CZ 4.17Å; E164-F184 HydrophobicContact CG-CD1 4.46Å; E164-F184 HydrophobicContact CG-CD2 4.27Å; E164-F184 HydrophobicContact CG-CE1 4.49Å; E164-F184 HydrophobicContact CG-CE2 4.25Å; E164-F184 HydrophobicContact CG-CG 4.37Å; E164-F184 HydrophobicContact CG-CZ 4.39Å; E164-F184 WeakPolarHBondContact OE2-CB 3.32Å; E164-F184 WeakPolarHBondContact OE2-CD2 3.12Å; E164-F184 WeakPolarHBondContact OE2-CG 3.38Å; F168-F184 HydrophobicContact CD2-CE2 4.49Å; F168-F184 AromaticContact CE2-CE2 3.52Å; F168-F184 HydrophobicContact CE2-CE2 3.52Å; F168-F184 AromaticContact CE2-CZ 3.73Å; F168-F184 HydrophobicContact CE2-CZ 3.73Å; F168-F184 AromaticContact CZ-CE2 3.7Å; F168-F184 HydrophobicContact CZ-CE2 3.7Å; F168-F184 AromaticContact CZ-CZ 3.83Å; F168-F184 HydrophobicContact CZ-CZ 3.83Å; W177-F184 AromaticContact CD1-CD2 3.78Å; W177-F184 AromaticContact CD1-CE2 3.71Å; W177-F184 AromaticContact NE1-CD2 3.73Å; I180-F184 HydrophobicContact CD1-CD2 4.31Å; I180-F184 HydrophobicContact CD1-CE2 3.36Å; I180-F184 HydrophobicContact CD1-CZ 3.6Å; I180-F184 HydrophobicContact CG1-CD2 3.98Å; I180-F184 HydrophobicContact CG1-CE2 3.51Å; I180-F184 HydrophobicContact CG1-CZ 4.17Å; I180-F184 PolarHBondContact O-N 2.8Å; H181-F184 PolarHBondContact O-N 2.98Å; H181-F184 VanDerWaalsContact O-N 3.08Å; F184-A186 VanDerWaalsContact C-N 3.29Å; F184-A186 PolarHBondContact O-N 3.29Å; F184-F187 PolarHBondContact O-N 3.15Å; F184-F187 VanDerWaalsContact O-N 3.07Å; F184-R188 VanDerWaalsContact O-CG 3.29Å; F184-R188 WeakPolarHBondContact O-CG 3.44Å; F184-R188 PolarHBondContact O-N 3.48Å
185Y94Very high93.4Very high52 Ų5251.7 Ų51.720%0.20426%0.263CS..Hα-helixtrans-57-42.3178.4-166.6-94.2000111.9D158 H181 I183 F187 P189D158-Y185 HydrophobicContact CB-CE2 4.35Å; D158-Y185 VanDerWaalsContact OD1-CE2 3.26Å; D158-Y185 WeakPolarHBondContact OD1-CE2 3.24Å; D158-Y185 PolarHBondContact OD1-OH 3.04Å; D158-Y185 PolarHBondContact OD2-OH 2.9Å; H181-Y185 WeakPolarHBondContact O-CB 3.26Å; H181-Y185 PolarHBondContact O-N 2.98Å; I183-Y185 PolarHBondContact O-N 3.23Å; Y185-F187 PolarHBondContact O-N 2.68Å; Y185-P189 VanDerWaalsContact O-CD 3.27Å; Y185-P189 WeakPolarHBondContact O-CD 3.13Å
186A93.2Very high93.1Very high53 Ų5352.3 Ų52.344%0.43828%0.276SS..Hα-helixtrans-66-33.2176.700000113.7P182 I183 F184 F190P182-A186 VanDerWaalsContact O-CB 3.28Å; P182-A186 WeakPolarHBondContact O-CB 3.09Å; P182-A186 PolarHBondContact O-N 3.4Å; I183-A186 PolarHBondContact O-N 2.92Å; F184-A186 VanDerWaalsContact C-N 3.29Å; F184-A186 PolarHBondContact O-N 3.29Å; A186-F190 WeakPolarHBondContact O-CE2 3.35Å
187F93.8Very high92.9Very high119 Ų11954.7 Ų54.752%0.52229%0.289SS..Hα-helixtrans-97.3-23.9-174.4-78-74000115.2I183 F184 Y185 P189 F190 I191I183-F187 HydrophobicContact CG2-CD2 3.8Å; I183-F187 HydrophobicContact CG2-CE2 4.02Å; I183-F187 VanDerWaalsContact O-CD2 3.26Å; I183-F187 WeakPolarHBondContact O-CD2 3.26Å; I183-F187 PolarHBondContact O-N 3.11Å; I183-F187 VanDerWaalsContact O-N 3.07Å; F184-F187 PolarHBondContact O-N 3.15Å; F184-F187 VanDerWaalsContact O-N 3.07Å; Y185-F187 PolarHBondContact O-N 2.68Å; F187-P189 VanDerWaalsContact C-N 3.29Å; F187-F190 HydrophobicContact CD1-CD2 4.2Å; F187-F190 PolarHBondContact O-N 3.23Å; F187-I191 PolarHBondContact O-N 2.93Å
188R94.9Very high92.8Very high3 Ų357.5 Ų57.51%0.01131%0.306CS..Hα-helixtrans-47.5-43.4175.7-83.6173.5-166.9158.213.9113.4A157 D158 M159 L161 E164 W177 F184 F190 I191 K192A157-R188 WeakPolarHBondContact O-CB 3.3Å; A157-R188 WeakPolarHBondContact O-CD 3.3Å; D158-R188 PolarHBondContact O-NH1 3Å; M159-R188 WeakPolarHBondContact O-CD 2.98Å; L161-R188 HydrophobicContact CD1-CG 4.2Å; L161-R188 HydrophobicContact CG-CG 4.05Å; E164-R188 IonicContact OE1-CZ 3.88Å; E164-R188 IonicContact OE1-NE 3.88Å; E164-R188 PolarHBondContact OE1-NE 2.93Å; E164-R188 IonicContact OE1-NH2 3.26Å; E164-R188 PolarHBondContact OE1-NH2 2.98Å; E164-R188 IonicContact OE2-CZ 3.54Å; E164-R188 IonicContact OE2-NE 3.5Å; E164-R188 IonicContact OE2-NH2 3.91Å; E164-R188 PolarHBondContact OE2-NH2 3.46Å; W177-R188 VanDerWaalsContact CZ2-NH2 3.29Å; F184-R188 VanDerWaalsContact O-CG 3.29Å; F184-R188 WeakPolarHBondContact O-CG 3.44Å; F184-R188 PolarHBondContact O-N 3.48Å; R188-F190 VanDerWaalsContact C-N 3.26Å; R188-F190 PolarHBondContact O-N 3.16Å; R188-I191 PolarHBondContact O-N 3.37Å; R188-K192 PolarHBondContact O-N 2.58Å
189P93Very high92.9Very high17 Ų1762.8 Ų62.811%0.1133%0.334CS..Hα-helixtrans-58.3-35.2178.5-25.434000114.1Y142 A157 Y185 F187 I191 H193 P194Y142-P189 HydrophobicContact CD1-CB 3.97Å; Y142-P189 HydrophobicContact CD2-CB 3.83Å; Y142-P189 HydrophobicContact CD2-CG 4.16Å; Y142-P189 HydrophobicContact CE1-CB 3.65Å; Y142-P189 HydrophobicContact CE2-CB 3.5Å; Y142-P189 HydrophobicContact CE2-CG 4.29Å; Y142-P189 HydrophobicContact CG-CB 4.06Å; Y142-P189 HydrophobicContact CG-CG 4.29Å; Y142-P189 VanDerWaalsContact CZ-CB 3.4Å; A157-P189 HydrophobicContact CB-CB 4.28Å; A157-P189 HydrophobicContact CB-CG 4.08Å; Y185-P189 VanDerWaalsContact O-CD 3.27Å; Y185-P189 WeakPolarHBondContact O-CD 3.13Å; F187-P189 VanDerWaalsContact C-N 3.29Å; P189-I191 VanDerWaalsContact C-N 3.29Å; P189-I191 PolarHBondContact O-N 3.08Å; P189-H193 CarbonylContact O-C 3.54Å; P189-H193 PolarHBondContact O-N 2.91Å; P189-P194 WeakPolarHBondContact O-CA 3.44Å; P189-P194 VanDerWaalsContact O-N 3.13Å
190F91.1Very high92.9Very high129 Ų12961.4 Ų61.457%0.56632%0.324SS*.Hα-helixtrans-76.5-17.6178.6-58-82.9000113.3A186 F187 R188A186-F190 WeakPolarHBondContact O-CE2 3.35Å; F187-F190 HydrophobicContact CD1-CD2 4.2Å; F187-F190 PolarHBondContact O-N 3.23Å; R188-F190 VanDerWaalsContact C-N 3.26Å; R188-F190 PolarHBondContact O-N 3.16Å
191I90.8Very high93Very high95 Ų9559.9 Ų59.949%0.48732%0.315SS..Hα-helixtrans-100.1-50.9-176.3-60.2168.2000110.7L161 F187 R188 P189L161-I191 HydrophobicContact CD1-CD1 3.75Å; L161-I191 HydrophobicContact CD1-CG2 4.33Å; L161-I191 HydrophobicContact CD2-CB 4.16Å; L161-I191 HydrophobicContact CD2-CG2 3.61Å; F187-I191 PolarHBondContact O-N 2.93Å; R188-I191 PolarHBondContact O-N 3.37Å; P189-I191 VanDerWaalsContact C-N 3.29Å; P189-I191 PolarHBondContact O-N 3.08Å
192K85.4Confident93.2Very high11 Ų1163.4 Ų63.45%0.04833%0.334CS..Hα-helixtrans-76.9-53.4-176.1-71.1-159.1156.7-152.60112.5E153 M159 P160 L161 R188E153-K192 WeakPolarHBondContact O-CD 3.26Å; E153-K192 PolarHBondContact O-NZ 2.79Å; M159-K192 HydrophobicContact CB-CD 4.41Å; M159-K192 WeakPolarHBondContact O-CD 3.38Å; M159-K192 WeakPolarHBondContact O-CE 3.09Å; M159-K192 PolarHBondContact O-NZ 3.04Å; P160-K192 WeakPolarHBondContact O-CE 3.46Å; P160-K192 PolarHBondContact O-NZ 3.39Å; L161-K192 HydrophobicContact CD2-CD 4.2Å; L161-K192 HydrophobicContact CD2-CG 3.56Å; R188-K192 PolarHBondContact O-N 2.58Å
193H84.3Confident93.4Very high12 Ų1264.9 Ų64.96%0.05634%0.34CS..  trans-142.364.9-167.1-167.6-121.1000111.3Y142 D154 P189 L195Y142-H193 VanDerWaalsContact CE1-O 3.25Å; Y142-H193 WeakPolarHBondContact CE1-O 3.33Å; Y142-H193 PolarHBondContact OH-O 2.87Å; D154-H193 WeakPolarHBondContact O-CB 3.47Å; P189-H193 CarbonylContact O-C 3.54Å; P189-H193 PolarHBondContact O-N 2.91Å; H193-L195 VanDerWaalsContact CE1-CD2 3.43Å; H193-L195 WeakPolarHBondContact CE1-CD2 3.44Å; H193-L195 PolarHBondContact O-N 3.34Å
194P89.7Confident93.6Very high76 Ų7660.5 Ų60.549%0.49432%0.318SS..  trans-65101.5-176.126.6-34.4000110.8P189P189-P194 WeakPolarHBondContact O-CA 3.44Å; P189-P194 VanDerWaalsContact O-N 3.13Å
195L89.3Confident93.8Very high52 Ų5264.2 Ų64.227%0.27233%0.334SS..PPolyproline II helixtrans-84.8144.7175.1-70.2176.1000110.7K141 Y142 H193K141-L195 HydrophobicContact CD-CB 4Å; K141-L195 HydrophobicContact CD-CD1 3.9Å; K141-L195 HydrophobicContact CG-CD1 3.74Å; Y142-L195 HydrophobicContact CD1-CD1 4.15Å; Y142-L195 HydrophobicContact CE1-CB 4.24Å; Y142-L195 HydrophobicContact CE1-CD1 3.72Å; Y142-L195 HydrophobicContact CE1-CG 3.91Å; Y142-L195 PolarHBondContact OH-N 3.08Å; Y142-L195 VanDerWaalsContact OH-N 3.08Å; H193-L195 VanDerWaalsContact CE1-CD2 3.43Å; H193-L195 WeakPolarHBondContact CE1-CD2 3.44Å; H193-L195 PolarHBondContact O-N 3.34Å
196P92.3Very high94Very high103 Ų10366.3 Ų66.367%0.66935%0.348SS*.PPolyproline II helixtrans-57.6143.9-179.324.5-34.3000111.7K141K141-P196 PolarHBondContact NZ-O 2.89Å
197L93.6Very high94.3Very high129 Ų12966.8 Ų66.868%0.67534%0.342SS*.PPolyproline II helixtrans-67.2134.5174.4-71.1173.9000110.2E201L197-E201 HydrophobicContact CD2-CB 4.32Å
198T95.5Very high94.5Very high59 Ų5961.1 Ų61.136%0.36232%0.317SS..PPolyproline II helixtrans-102.8159.4176.366.40000110.9W200 E201 I202T198-W200 PolarHBondContact O-N 2.8Å; T198-W200 VanDerWaalsContact O-N 3.15Å; T198-E201 WeakPolarHBondContact CB-OE2 3.35Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.07Å; T198-E201 PolarHBondContact N-OE2 3.13Å; T198-E201 PolarHBondContact O-N 2.77Å; T198-E201 PolarHBondContact OG1-N 3.19Å; T198-E201 PolarHBondContact OG1-OE2 3.28Å; T198-I202 PolarHBondContact O-N 3.31Å
199L97.6Very high94.7Very high120 Ų12064 Ų6463%0.62833%0.333SS*.Hα-helixtrans-54.6-33.617317961.3000112.4I202 I203L199-I202 PolarHBondContact O-N 2.92Å; L199-I203 HydrophobicContact CD1-CD1 4.37Å; L199-I203 HydrophobicContact CD1-CG1 4.43Å; L199-I203 HydrophobicContact CD2-CD1 4.49Å; L199-I203 HydrophobicContact CG-CD1 3.91Å; L199-I203 HydrophobicContact CG-CG1 4.43Å; L199-I203 VanDerWaalsContact O-CG1 3.26Å; L199-I203 WeakPolarHBondContact O-CG1 3.5Å; L199-I203 PolarHBondContact O-N 3.36Å
200W98.1Very high95Very high52 Ų5266.7 Ų66.720%0.19735%0.348CS..Hα-helixtrans-68.6-33.2178.9-77.498.2000113K118 R121 L122 I125 I137 T198 I203 N204K118-W200 HydrophobicContact CB-CZ2 4.43Å; K118-W200 HydrophobicContact CG-CZ2 4.1Å; R121-W200 HydrophobicContact CB-CD2 4.36Å; R121-W200 HydrophobicContact CB-CE3 3.94Å; R121-W200 HydrophobicContact CB-CH2 4.24Å; R121-W200 HydrophobicContact CB-CZ3 3.88Å; L122-W200 HydrophobicContact CD2-CH2 4.31Å; L122-W200 HydrophobicContact CD2-CZ3 4Å; L122-W200 HydrophobicContact CG-CH2 4.22Å; L122-W200 HydrophobicContact CG-CZ3 4.2Å; I125-W200 HydrophobicContact CD1-CE3 4.32Å; I125-W200 HydrophobicContact CD1-CZ3 4.47Å; I137-W200 HydrophobicContact CD1-CB 4.42Å; I137-W200 HydrophobicContact CG1-CB 4.32Å; I137-W200 HydrophobicContact CG2-CB 3.65Å; T198-W200 PolarHBondContact O-N 2.8Å; T198-W200 VanDerWaalsContact O-N 3.15Å; W200-I203 HydrophobicContact CE3-CD1 4.34Å; W200-I203 PolarHBondContact O-N 3.05Å; W200-N204 WeakPolarHBondContact O-CB 3.35Å; W200-N204 PolarHBondContact O-N 3.2Å
201E98Very high95.4Very high17 Ų1761.7 Ų61.78%0.07933%0.326CS..Hα-helixtrans-67.9-40.2174.3-70.6161.498.900110.7I137 S138 K141 L197 T198 N204 F205I137-E201 HydrophobicContact CB-CG 4.21Å; I137-E201 HydrophobicContact CG2-CG 3.64Å; S138-E201 PolarHBondContact OG-OE1 3.08Å; K141-E201 WeakPolarHBondContact CE-OE1 3.39Å; K141-E201 IonicContact NZ-OE1 2.85Å; K141-E201 PolarHBondContact NZ-OE1 3.48Å; K141-E201 IonicContact NZ-OE2 3.95Å; K141-E201 PolarHBondContact NZ-OE2 3.03Å; L197-E201 HydrophobicContact CD2-CB 4.32Å; T198-E201 WeakPolarHBondContact CB-OE2 3.35Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.07Å; T198-E201 PolarHBondContact N-OE2 3.13Å; T198-E201 PolarHBondContact O-N 2.77Å; T198-E201 PolarHBondContact OG1-N 3.19Å; T198-E201 PolarHBondContact OG1-OE2 3.28Å; E201-N204 PolarHBondContact O-N 3.4Å; E201-F205 WeakPolarHBondContact O-CB 3.29Å; E201-F205 PolarHBondContact O-N 2.96Å
202I98.6Very high95.7Very high85 Ų8557.9 Ų57.944%0.43631%0.307SS..Hα-helixtrans-62.4-44.1174.1-60.3172.3000110.6T198 L199 F205 I206T198-I202 PolarHBondContact O-N 3.31Å; L199-I202 PolarHBondContact O-N 2.92Å; I202-F205 PolarHBondContact O-N 3.38Å; I202-I206 HydrophobicContact CG2-CD1 3.81Å; I202-I206 HydrophobicContact CG2-CG1 4.44Å; I202-I206 WeakPolarHBondContact O-CG1 3.48Å; I202-I206 PolarHBondContact O-N 3.5Å
203I98.7Very high96.4Very high50 Ų5061.9 Ų61.926%0.25633%0.328SS..Hα-helixtrans-61.3-46.7176.2-70.1165.8000110.8I125 L199 W200 F205 I206 I207I125-I203 HydrophobicContact CD1-CG2 4.19Å; L199-I203 HydrophobicContact CD1-CD1 4.37Å; L199-I203 HydrophobicContact CD1-CG1 4.43Å; L199-I203 HydrophobicContact CD2-CD1 4.49Å; L199-I203 HydrophobicContact CG-CD1 3.91Å; L199-I203 HydrophobicContact CG-CG1 4.43Å; L199-I203 VanDerWaalsContact O-CG1 3.26Å; L199-I203 WeakPolarHBondContact O-CG1 3.5Å; L199-I203 PolarHBondContact O-N 3.36Å; W200-I203 HydrophobicContact CE3-CD1 4.34Å; W200-I203 PolarHBondContact O-N 3.05Å; I203-F205 VanDerWaalsContact C-N 3.32Å; I203-F205 PolarHBondContact O-N 2.85Å; I203-I206 PolarHBondContact O-N 3.03Å; I203-I207 HydrophobicContact CG2-CD1 3.65Å; I203-I207 HydrophobicContact CG2-CG1 4.44Å; I203-I207 WeakPolarHBondContact O-CB 3.22Å; I203-I207 WeakPolarHBondContact O-CG1 3.2Å; I203-I207 PolarHBondContact O-N 3.4Å
204N98.7Very high97.1Very high1 Ų165 Ų651%0.00534%0.344CS..Hα-helixtrans-59.7-44.5177.5-168.4167000111.2I125 A136 I137 W200 E201 Q208I125-N204 HydrophobicContact CD1-CB 4.13Å; I125-N204 HydrophobicContact CG1-CB 4.08Å; A136-N204 PolarHBondContact N-OD1 3Å; I137-N204 HydrophobicContact CB-CB 4.28Å; I137-N204 HydrophobicContact CG1-CB 3.75Å; I137-N204 WeakPolarHBondContact CG1-OD1 3.22Å; I137-N204 PolarHBondContact N-OD1 3.17Å; I137-N204 VanDerWaalsContact N-OD1 3.12Å; W200-N204 WeakPolarHBondContact O-CB 3.35Å; W200-N204 PolarHBondContact O-N 3.2Å; E201-N204 PolarHBondContact O-N 3.4Å; N204-Q208 WeakPolarHBondContact O-CB 3.48Å; N204-Q208 PolarHBondContact O-N 3.34Å
205F98.7Very high97.5Very high113 Ų11361.6 Ų61.650%0.49632%0.322SS..Hα-helixtrans-60.6-51.3177.9-179.1-91.8000111.6P134 E201 I202 I203 I207 Q208 I209P134-F205 HydrophobicContact CG-CD2 3.92Å; E201-F205 WeakPolarHBondContact O-CB 3.29Å; E201-F205 PolarHBondContact O-N 2.96Å; I202-F205 PolarHBondContact O-N 3.38Å; I203-F205 VanDerWaalsContact C-N 3.32Å; I203-F205 PolarHBondContact O-N 2.85Å; F205-I207 VanDerWaalsContact C-N 3.35Å; F205-I207 PolarHBondContact O-N 3.01Å; F205-Q208 PolarHBondContact O-N 3.2Å; F205-I209 HydrophobicContact CD1-CG1 4.16Å; F205-I209 HydrophobicContact CD2-CG1 4.27Å; F205-I209 HydrophobicContact CE1-CG1 3.82Å; F205-I209 HydrophobicContact CE2-CD1 4.23Å; F205-I209 HydrophobicContact CE2-CG1 3.92Å; F205-I209 HydrophobicContact CG-CG1 4.37Å; F205-I209 HydrophobicContact CZ-CD1 4.22Å; F205-I209 HydrophobicContact CZ-CG1 3.68Å; F205-I209 WeakPolarHBondContact O-CB 3.13Å; F205-I209 VanDerWaalsContact O-CG1 3.32Å; F205-I209 WeakPolarHBondContact O-CG1 3.34Å; F205-I209 PolarHBondContact O-N 2.9Å
206I98.9Very high97.9Very high96 Ų9666.2 Ų66.249%0.49234%0.336SS..Hα-helixtrans-60-45.8-179.7-69.4169.1000111I202 I203 T210I202-I206 HydrophobicContact CG2-CD1 3.81Å; I202-I206 HydrophobicContact CG2-CG1 4.44Å; I202-I206 WeakPolarHBondContact O-CG1 3.48Å; I202-I206 PolarHBondContact O-N 3.5Å; I203-I206 PolarHBondContact O-N 3.03Å; I206-T210 VanDerWaalsContact O-CB 3.26Å; I206-T210 WeakPolarHBondContact O-CB 3.4Å; I206-T210 PolarHBondContact O-N 3.28Å; I206-T210 PolarHBondContact O-OG1 3.13Å
207I98.9Very high98.3Very high63 Ų6369.9 Ų69.932%0.32334%0.338SS..Hα-helixtrans-63.1-46.5179.8-70.3170.9000110.6I125 L129 I203 F205 T210 F211I125-I207 HydrophobicContact CG2-CB 4.08Å; I125-I207 HydrophobicContact CG2-CD1 3.96Å; I125-I207 HydrophobicContact CG2-CG2 3.68Å; L129-I207 HydrophobicContact CD2-CG2 3.93Å; I203-I207 HydrophobicContact CG2-CD1 3.65Å; I203-I207 HydrophobicContact CG2-CG1 4.44Å; I203-I207 WeakPolarHBondContact O-CB 3.22Å; I203-I207 WeakPolarHBondContact O-CG1 3.2Å; I203-I207 PolarHBondContact O-N 3.4Å; F205-I207 VanDerWaalsContact C-N 3.35Å; F205-I207 PolarHBondContact O-N 3.01Å; I207-T210 PolarHBondContact O-N 3.49Å; I207-F211 VanDerWaalsContact O-CB 3.28Å; I207-F211 WeakPolarHBondContact O-CB 3.47Å; I207-F211 PolarHBondContact O-N 2.83Å
208Q98.9Very high98.5Very high0 Ų071.4 Ų71.40%034%0.336CS..Hα-helixtrans-64.6-47.8-179.2-171.963.750.800111.6N128 L129 G132 P134 N204 F205 T210 F211 D212N128-Q208 PolarHBondContact ND2-OE1 3.47Å; N128-Q208 PolarHBondContact O-OE1 3.48Å; L129-Q208 PolarHBondContact O-NE2 3.18Å; L129-Q208 VanDerWaalsContact O-NE2 3.08Å; G132-Q208 VanDerWaalsContact CA-NE2 3.29Å; P134-Q208 HydrophobicContact CB-CB 3.88Å; P134-Q208 HydrophobicContact CB-CG 4.27Å; N204-Q208 WeakPolarHBondContact O-CB 3.48Å; N204-Q208 PolarHBondContact O-N 3.34Å; F205-Q208 PolarHBondContact O-N 3.2Å; Q208-T210 VanDerWaalsContact C-N 3.32Å; Q208-T210 PolarHBondContact O-N 3.27Å; Q208-F211 WeakPolarHBondContact O-CB 3.17Å; Q208-F211 PolarHBondContact O-N 2.79Å; Q208-F211 VanDerWaalsContact O-N 3.17Å; Q208-D212 PolarHBondContact NE2-OD1 2.88Å; Q208-D212 PolarHBondContact O-N 3.19Å
209I98.8Very high98.6Very high65 Ų6572 Ų7233%0.33333%0.333SS..Hα-helixtrans-63.9-39.7179.6-65.2-58.6000111.3F205 F211 D212 I213F205-I209 HydrophobicContact CD1-CG1 4.16Å; F205-I209 HydrophobicContact CD2-CG1 4.27Å; F205-I209 HydrophobicContact CE1-CG1 3.82Å; F205-I209 HydrophobicContact CE2-CD1 4.23Å; F205-I209 HydrophobicContact CE2-CG1 3.92Å; F205-I209 HydrophobicContact CG-CG1 4.37Å; F205-I209 HydrophobicContact CZ-CD1 4.22Å; F205-I209 HydrophobicContact CZ-CG1 3.68Å; F205-I209 WeakPolarHBondContact O-CB 3.13Å; F205-I209 VanDerWaalsContact O-CG1 3.32Å; F205-I209 WeakPolarHBondContact O-CG1 3.34Å; F205-I209 PolarHBondContact O-N 2.9Å; I209-F211 VanDerWaalsContact C-N 3.33Å; I209-F211 PolarHBondContact O-N 3.46Å; I209-D212 PolarHBondContact O-N 2.85Å; I209-I213 HydrophobicContact CG2-CD1 3.8Å; I209-I213 HydrophobicContact CG2-CG1 4.42Å; I209-I213 WeakPolarHBondContact O-CB 3.28Å; I209-I213 VanDerWaalsContact O-CG1 3.23Å; I209-I213 WeakPolarHBondContact O-CG1 3.33Å; I209-I213 PolarHBondContact O-N 3.26Å
210T98.9Very high98.6Very high72 Ų7267.7 Ų67.744%0.44232%0.318SS..Hα-helixtrans-62.1-44.7175.1-57.60000110.8I206 I207 Q208 I213 I214I206-T210 VanDerWaalsContact O-CB 3.26Å; I206-T210 WeakPolarHBondContact O-CB 3.4Å; I206-T210 PolarHBondContact O-N 3.28Å; I206-T210 PolarHBondContact O-OG1 3.13Å; I207-T210 PolarHBondContact O-N 3.49Å; Q208-T210 VanDerWaalsContact C-N 3.32Å; Q208-T210 PolarHBondContact O-N 3.27Å; T210-I213 PolarHBondContact O-N 2.95Å; T210-I214 HydrophobicContact CG2-CD1 4.02Å; T210-I214 VanDerWaalsContact O-CG1 3.27Å; T210-I214 WeakPolarHBondContact O-CG1 3.41Å; T210-I214 PolarHBondContact O-N 3.08Å
211F98.8Very high98.6Very high24 Ų2469.6 Ų69.611%0.10533%0.331CS..Hα-helixtrans-60.6-47.8176.1173.4-97.1000111.9F68 L129 I207 Q208 I209 I213 I214 I215 F227F68-F211 HydrophobicContact CD1-CZ 4.49Å; F68-F211 AromaticContact CE1-CE2 3.31Å; F68-F211 HydrophobicContact CE1-CE2 3.31Å; F68-F211 AromaticContact CE1-CZ 3.25Å; F68-F211 HydrophobicContact CE1-CZ 3.25Å; F68-F211 HydrophobicContact CZ-CD2 4.48Å; F68-F211 AromaticContact CZ-CE2 3.26Å; F68-F211 HydrophobicContact CZ-CE2 3.26Å; F68-F211 AromaticContact CZ-CZ 3.3Å; F68-F211 HydrophobicContact CZ-CZ 3.3Å; L129-F211 HydrophobicContact CB-CD1 4.15Å; L129-F211 HydrophobicContact CB-CD2 4.35Å; L129-F211 HydrophobicContact CB-CE1 4.02Å; L129-F211 HydrophobicContact CB-CE2 4.24Å; L129-F211 HydrophobicContact CB-CG 4.3Å; L129-F211 HydrophobicContact CB-CZ 4.06Å; L129-F211 HydrophobicContact CD1-CD2 4.24Å; L129-F211 HydrophobicContact CD1-CE2 4.43Å; L129-F211 HydrophobicContact CD2-CB 3.88Å; L129-F211 HydrophobicContact CD2-CD1 4.21Å; L129-F211 HydrophobicContact CD2-CD2 4.16Å; L129-F211 HydrophobicContact CD2-CG 3.8Å; L129-F211 HydrophobicContact CG-CD2 4.49Å; L129-F211 HydrophobicContact CG-CG 4.48Å; L129-F211 WeakPolarHBondContact O-CE1 3.44Å; I207-F211 VanDerWaalsContact O-CB 3.28Å; I207-F211 WeakPolarHBondContact O-CB 3.47Å; I207-F211 PolarHBondContact O-N 2.83Å; Q208-F211 WeakPolarHBondContact O-CB 3.17Å; Q208-F211 PolarHBondContact O-N 2.79Å; Q208-F211 VanDerWaalsContact O-N 3.17Å; I209-F211 VanDerWaalsContact C-N 3.33Å; I209-F211 PolarHBondContact O-N 3.46Å; F211-I213 VanDerWaalsContact C-N 3.34Å; F211-I213 PolarHBondContact O-N 3.26Å; F211-I214 WeakPolarHBondContact O-CB 3.05Å; F211-I214 PolarHBondContact O-N 2.89Å; F211-I214 VanDerWaalsContact O-N 3.15Å; F211-I215 HydrophobicContact CD1-CG1 4.16Å; F211-I215 HydrophobicContact CD2-CG1 4.38Å; F211-I215 HydrophobicContact CE1-CD1 4.42Å; F211-I215 HydrophobicContact CE1-CG1 3.65Å; F211-I215 HydrophobicContact CE2-CD1 3.91Å; F211-I215 HydrophobicContact CE2-CG1 3.86Å; F211-I215 HydrophobicContact CZ-CD1 3.75Å; F211-I215 HydrophobicContact CZ-CG1 3.48Å; F211-I215 VanDerWaalsContact CZ-CG1 3.48Å; F211-I215 WeakPolarHBondContact O-CG1 3.37Å; F211-I215 PolarHBondContact O-N 2.89Å; F211-F227 HydrophobicContact CE1-CD2 4.35Å; F211-F227 HydrophobicContact CE1-CE2 4.28Å; F211-F227 HydrophobicContact CZ-CE2 4.14Å
212D98.9Very high98.7Very high15 Ų1576.2 Ų76.28%0.0836%0.355CS..Hα-helixtrans-63-39.4-179.9-65.3-21.2000111.9Q208 I209 I215 W216 L224Q208-D212 PolarHBondContact NE2-OD1 2.88Å; Q208-D212 PolarHBondContact O-N 3.19Å; I209-D212 PolarHBondContact O-N 2.85Å; D212-I215 PolarHBondContact O-N 3.24Å; D212-W216 WeakPolarHBondContact O-CB 3.46Å; D212-W216 PolarHBondContact O-N 3.33Å; D212-L224 HydrophobicContact CB-CD1 3.72Å; D212-L224 HydrophobicContact CB-CD2 4.48Å
213I98.9Very high98.7Very high96 Ų9672.3 Ų72.349%0.49234%0.336SS..Hα-helixtrans-62.8-44.5173.6-70.9167.6000110.8I209 T210 F211 I215 W216 Y217I209-I213 HydrophobicContact CG2-CD1 3.8Å; I209-I213 HydrophobicContact CG2-CG1 4.42Å; I209-I213 WeakPolarHBondContact O-CB 3.28Å; I209-I213 VanDerWaalsContact O-CG1 3.23Å; I209-I213 WeakPolarHBondContact O-CG1 3.33Å; I209-I213 PolarHBondContact O-N 3.26Å; T210-I213 PolarHBondContact O-N 2.95Å; F211-I213 VanDerWaalsContact C-N 3.34Å; F211-I213 PolarHBondContact O-N 3.26Å; I213-I215 VanDerWaalsContact C-N 3.34Å; I213-W216 PolarHBondContact O-N 3.45Å; I213-Y217 VanDerWaalsContact O-CB 3.25Å; I213-Y217 WeakPolarHBondContact O-CB 3.41Å; I213-Y217 PolarHBondContact O-N 3.27Å
214I98.8Very high98.7Very high76 Ų7670.9 Ų70.939%0.3933%0.328SS..Hα-helixtrans-60.8-46175.5-71.2167.5000109.9T210 F211 W216 Y217 Y218T210-I214 HydrophobicContact CG2-CD1 4.02Å; T210-I214 VanDerWaalsContact O-CG1 3.27Å; T210-I214 WeakPolarHBondContact O-CG1 3.41Å; T210-I214 PolarHBondContact O-N 3.08Å; F211-I214 WeakPolarHBondContact O-CB 3.05Å; F211-I214 PolarHBondContact O-N 2.89Å; F211-I214 VanDerWaalsContact O-N 3.15Å; I214-W216 PolarHBondContact O-N 3.26Å; I214-Y217 PolarHBondContact O-N 3.44Å; I214-Y218 HydrophobicContact CG2-CD2 3.87Å; I214-Y218 HydrophobicContact CG2-CE2 4.35Å; I214-Y218 WeakPolarHBondContact O-CD2 3.47Å; I214-Y218 PolarHBondContact O-N 3.33Å
215I98.7Very high98.7Very high5 Ų571.7 Ų71.73%0.02634%0.335CS..Hα-helixtrans-60.3-48.6179-68.6-55.3000110.9F68 F211 D212 I213 F219 G220 T223 L224 F227F68-I215 HydrophobicContact CE1-CD1 4.22Å; F211-I215 HydrophobicContact CD1-CG1 4.16Å; F211-I215 HydrophobicContact CD2-CG1 4.38Å; F211-I215 HydrophobicContact CE1-CD1 4.42Å; F211-I215 HydrophobicContact CE1-CG1 3.65Å; F211-I215 HydrophobicContact CE2-CD1 3.91Å; F211-I215 HydrophobicContact CE2-CG1 3.86Å; F211-I215 HydrophobicContact CZ-CD1 3.75Å; F211-I215 HydrophobicContact CZ-CG1 3.48Å; F211-I215 VanDerWaalsContact CZ-CG1 3.48Å; F211-I215 WeakPolarHBondContact O-CG1 3.37Å; F211-I215 PolarHBondContact O-N 2.89Å; D212-I215 PolarHBondContact O-N 3.24Å; I213-I215 VanDerWaalsContact C-N 3.34Å; I215-F219 HydrophobicContact CD1-CD2 3.84Å; I215-F219 HydrophobicContact CD1-CE2 4.03Å; I215-F219 WeakPolarHBondContact O-CA 3.39Å; I215-F219 WeakPolarHBondContact O-CB 3.25Å; I215-F219 PolarHBondContact O-N 3.32Å; I215-G220 PolarHBondContact O-N 3.06Å; I215-T223 HydrophobicContact CG2-CG2 3.98Å; I215-L224 HydrophobicContact CG2-CB 4.02Å; I215-L224 HydrophobicContact CG2-CD1 4.46Å; I215-F227 HydrophobicContact CD1-CE2 4.2Å; I215-F227 HydrophobicContact CG1-CE2 4.1Å; I215-F227 HydrophobicContact CG2-CD2 4.23Å; I215-F227 HydrophobicContact CG2-CE2 4.15Å
216W98.6Very high98.7Very high150 Ų15066.3 Ų66.357%0.56831%0.312SS*.Hα-helixtrans-61.6-47.1179.2177.526000112.2D212 I213 I214 G220 L224D212-W216 WeakPolarHBondContact O-CB 3.46Å; D212-W216 PolarHBondContact O-N 3.33Å; I213-W216 PolarHBondContact O-N 3.45Å; I214-W216 PolarHBondContact O-N 3.26Å; W216-G220 VanDerWaalsContact O-CA 3.28Å; W216-G220 WeakPolarHBondContact O-CA 3.23Å; W216-G220 PolarHBondContact O-N 3.43Å; W216-L224 HydrophobicContact CB-CB 4.46Å; W216-L224 HydrophobicContact CB-CD2 3.94Å
217Y98.7Very high98.7Very high180 Ų18061.8 Ų61.871%0.70629%0.288SS*.Hα-helixtrans-66.8-43.4-175.4-174.8-95.1000112.8I213 I214I213-Y217 VanDerWaalsContact O-CB 3.25Å; I213-Y217 WeakPolarHBondContact O-CB 3.41Å; I213-Y217 PolarHBondContact O-N 3.27Å; I214-Y217 PolarHBondContact O-N 3.44Å
218Y98.5Very high98.6Very high161 Ų16161.1 Ų61.163%0.63129%0.285SS*.Hα-helixtrans-94.3-26.7-174.6-70.3-75000114.3I214I214-Y218 HydrophobicContact CG2-CD2 3.87Å; I214-Y218 HydrophobicContact CG2-CE2 4.35Å; I214-Y218 WeakPolarHBondContact O-CD2 3.47Å; I214-Y218 PolarHBondContact O-N 3.33Å
219F98.2Very high98.6Very high71 Ų7164.2 Ų64.231%0.31130%0.301SS..Hα-helixtrans-121.3-6.1-172.8-53.8-82.1000114L72 S75 I215 T223L72-F219 HydrophobicContact CD1-CD1 3.92Å; L72-F219 HydrophobicContact CD1-CE1 3.65Å; S75-F219 WeakPolarHBondContact CB-O 3.38Å; S75-F219 WeakPolarHBondContact OG-CA 3.32Å; S75-F219 WeakPolarHBondContact OG-CB 3.21Å; S75-F219 PolarHBondContact OG-O 3.15Å; I215-F219 HydrophobicContact CD1-CD2 3.84Å; I215-F219 HydrophobicContact CD1-CE2 4.03Å; I215-F219 WeakPolarHBondContact O-CA 3.39Å; I215-F219 WeakPolarHBondContact O-CB 3.25Å; I215-F219 PolarHBondContact O-N 3.32Å; F219-T223 HydrophobicContact CB-CG2 3.79Å; F219-T223 WeakPolarHBondContact O-CB 3.38Å; F219-T223 PolarHBondContact O-OG1 3Å
220G98.3Very high98.6Very high30 Ų3061.1 Ų61.131%0.30929%0.285SS..  trans90.9162.5173.100000114.7I215 W216 W222 T223 L224I215-G220 PolarHBondContact O-N 3.06Å; W216-G220 VanDerWaalsContact O-CA 3.28Å; W216-G220 WeakPolarHBondContact O-CA 3.23Å; W216-G220 PolarHBondContact O-N 3.43Å; G220-W222 VanDerWaalsContact C-N 3.34Å; G220-W222 PolarHBondContact O-N 3.4Å; G220-T223 WeakPolarHBondContact O-CB 3.25Å; G220-T223 PolarHBondContact O-N 3.09Å; G220-T223 VanDerWaalsContact O-N 3.14Å; G220-L224 PolarHBondContact O-N 2.95Å
221I98.1Very high98.6Very high91 Ų9157.7 Ų57.747%0.46726%0.264SS..Hα-helixtrans-64.9-34.3-172.4-171.757.8000113.2T223 L224 A225I221-T223 PolarHBondContact O-N 3.09Å; I221-L224 HydrophobicContact CD1-CD2 4.33Å; I221-L224 PolarHBondContact O-N 3.37Å; I221-A225 VanDerWaalsContact O-CB 3.27Å; I221-A225 WeakPolarHBondContact O-CB 3.36Å; I221-A225 PolarHBondContact O-N 3.16Å
222W98.3Very high98.5Very high157 Ų15759.2 Ų59.260%0.59528%0.275SS*.Hα-helixtrans-67.9-26.7177.7-65.9113.7000112.6W84 G220 Y226W84-W222 HydrophobicContact CD2-CE3 4.19Å; W84-W222 HydrophobicContact CE3-CE3 4.45Å; W84-W222 HydrophobicContact CE3-CZ3 4.46Å; W84-W222 HydrophobicContact CH2-CE3 4.43Å; W84-W222 HydrophobicContact CH2-CZ3 4.47Å; W84-W222 HydrophobicContact CZ2-CE3 4.13Å; W84-W222 HydrophobicContact CZ3-CZ3 4.38Å; W84-W222 PolarHBondContact NE1-O 3.39Å; G220-W222 VanDerWaalsContact C-N 3.34Å; G220-W222 PolarHBondContact O-N 3.4Å; W222-Y226 WeakPolarHBondContact O-CB 3.38Å; W222-Y226 PolarHBondContact O-N 3.37Å
223T98.6Very high98.4Very high3 Ų360.8 Ų60.82%0.01828%0.283CS..Hα-helixtrans-74.8-43173.8-52.40000111.1A71 S75 I215 F219 G220 I221 Y226A71-T223 HydrophobicContact CB-CG2 3.64Å; A71-T223 WeakPolarHBondContact O-CG2 3.23Å; S75-T223 WeakPolarHBondContact CB-OG1 3.26Å; I215-T223 HydrophobicContact CG2-CG2 3.98Å; F219-T223 HydrophobicContact CB-CG2 3.79Å; F219-T223 WeakPolarHBondContact O-CB 3.38Å; F219-T223 PolarHBondContact O-OG1 3Å; G220-T223 WeakPolarHBondContact O-CB 3.25Å; G220-T223 PolarHBondContact O-N 3.09Å; G220-T223 VanDerWaalsContact O-N 3.14Å; I221-T223 PolarHBondContact O-N 3.09Å; T223-Y226 WeakPolarHBondContact O-CB 3.15Å; T223-Y226 PolarHBondContact O-N 3.35Å
224L98.8Very high98.3Very high19 Ų1956.2 Ų56.210%0.09926%0.26CS..Hα-helixtrans-62.9-44.2172.1177.359.9000111.3D212 I215 W216 G220 I221 Y226 F227 I228D212-L224 HydrophobicContact CB-CD1 3.72Å; D212-L224 HydrophobicContact CB-CD2 4.48Å; I215-L224 HydrophobicContact CG2-CB 4.02Å; I215-L224 HydrophobicContact CG2-CD1 4.46Å; W216-L224 HydrophobicContact CB-CB 4.46Å; W216-L224 HydrophobicContact CB-CD2 3.94Å; G220-L224 PolarHBondContact O-N 2.95Å; I221-L224 HydrophobicContact CD1-CD2 4.33Å; I221-L224 PolarHBondContact O-N 3.37Å; L224-Y226 VanDerWaalsContact C-N 3.26Å; L224-Y226 PolarHBondContact O-N 3.36Å; L224-F227 PolarHBondContact O-N 2.85Å; L224-F227 VanDerWaalsContact O-N 3.15Å; L224-I228 HydrophobicContact CD1-CD1 3.85Å; L224-I228 HydrophobicContact CD1-CG1 4.24Å; L224-I228 HydrophobicContact CD2-CD1 4.34Å; L224-I228 HydrophobicContact CG-CD1 3.89Å; L224-I228 PolarHBondContact O-N 3.34Å; L224-I228 VanDerWaalsContact O-N 3.12Å
225A98.7Very high98.2Very high19 Ų1954 Ų5416%0.15725%0.249CC..Hα-helixtrans-61.6-34.4177.900000111.8W84 I221 F227 I228 I229W84-A225 HydrophobicContact CH2-CB 4.18Å; W84-A225 HydrophobicContact CZ2-CB 3.63Å; I221-A225 VanDerWaalsContact O-CB 3.27Å; I221-A225 WeakPolarHBondContact O-CB 3.36Å; I221-A225 PolarHBondContact O-N 3.16Å; A225-F227 VanDerWaalsContact C-N 3.27Å; A225-F227 PolarHBondContact O-N 3.44Å; A225-I228 PolarHBondContact O-N 3.5Å; A225-I229 HydrophobicContact CB-CG1 4.33Å; A225-I229 WeakPolarHBondContact O-CA 3.37Å; A225-I229 WeakPolarHBondContact O-CB 3.39Å; A225-I229 VanDerWaalsContact O-CG1 3.29Å; A225-I229 WeakPolarHBondContact O-CG1 3.31Å; A225-I229 PolarHBondContact O-N 3.27Å
226Y98.8Very high98Very high0 Ų053.9 Ų53.90%025%0.249CC..Hα-helixtrans-57.9-40175.4164.1-94.6000112Q67 V70 A71 I74 I91 S92 W222 T223 L224 G230Q67-Y226 VanDerWaalsContact OE1-CZ 3.24Å; Q67-Y226 PolarHBondContact OE1-OH 3.43Å; V70-Y226 HydrophobicContact CG1-CE1 4.45Å; V70-Y226 HydrophobicContact CG1-CE2 3.93Å; V70-Y226 WeakPolarHBondContact CG1-OH 3.5Å; A71-Y226 HydrophobicContact CB-CD1 4.23Å; A71-Y226 HydrophobicContact CB-CE1 4.35Å; I74-Y226 HydrophobicContact CD1-CD1 4.22Å; I74-Y226 HydrophobicContact CD1-CD2 3.17Å; I74-Y226 HydrophobicContact CD1-CE2 3.58Å; I74-Y226 HydrophobicContact CD1-CG 3.52Å; I91-Y226 WeakPolarHBondContact CG2-OH 3.12Å; S92-Y226 VanDerWaalsContact CB-CE2 3.48Å; S92-Y226 VanDerWaalsContact CB-CZ 3.47Å; S92-Y226 VanDerWaalsContact CB-O 3.32Å; S92-Y226 WeakPolarHBondContact CB-O 3.48Å; S92-Y226 PolarHBondContact OG-O 3.07Å; W222-Y226 WeakPolarHBondContact O-CB 3.38Å; W222-Y226 PolarHBondContact O-N 3.37Å; T223-Y226 WeakPolarHBondContact O-CB 3.15Å; T223-Y226 PolarHBondContact O-N 3.35Å; L224-Y226 VanDerWaalsContact C-N 3.26Å; L224-Y226 PolarHBondContact O-N 3.36Å; Y226-G230 WeakPolarHBondContact O-CA 3.31Å; Y226-G230 PolarHBondContact O-N 3.37Å; Y226-G230 VanDerWaalsContact O-N 3.13Å
227F98.8Very high97.8Very high0 Ų049.7 Ų49.70%024%0.237CC..Hα-helixtrans-69.5-56.2174.4-70.1-38.8000112Q67 F68 A71 N96 P130 F211 I215 L224 A225 G230 T231Q67-F227 HydrophobicContact CB-CE1 4.02Å; F68-F227 HydrophobicContact CD1-CZ 4.3Å; F68-F227 HydrophobicContact CE1-CZ 4.45Å; A71-F227 HydrophobicContact CB-CE1 3.91Å; A71-F227 HydrophobicContact CB-CE2 4Å; A71-F227 HydrophobicContact CB-CZ 3.37Å; N96-F227 PolarHBondContact ND2-O 3.13Å; P130-F227 HydrophobicContact CB-CD1 4.03Å; P130-F227 HydrophobicContact CB-CE1 4.01Å; P130-F227 WeakPolarHBondContact O-CB 3.5Å; P130-F227 WeakPolarHBondContact O-CD1 3.4Å; P130-F227 WeakPolarHBondContact O-CG 3.39Å; F211-F227 HydrophobicContact CE1-CD2 4.35Å; F211-F227 HydrophobicContact CE1-CE2 4.28Å; F211-F227 HydrophobicContact CZ-CE2 4.14Å; I215-F227 HydrophobicContact CD1-CE2 4.2Å; I215-F227 HydrophobicContact CG1-CE2 4.1Å; I215-F227 HydrophobicContact CG2-CD2 4.23Å; I215-F227 HydrophobicContact CG2-CE2 4.15Å; L224-F227 PolarHBondContact O-N 2.85Å; L224-F227 VanDerWaalsContact O-N 3.15Å; A225-F227 VanDerWaalsContact C-N 3.27Å; A225-F227 PolarHBondContact O-N 3.44Å; F227-G230 PolarHBondContact O-N 3.3Å; F227-T231 PolarHBondContact O-N 3.11Å; F227-T231 PolarHBondContact O-OG1 2.9Å; F227-T231 VanDerWaalsContact O-OG1 3.05Å
228I98.6Very high97.8Very high49 Ų4941.6 Ų41.625%0.25121%0.206SC..Hα-helixtrans-66.1-50.1-173.5-63.1174.4000111.6L224 A225 G230 T231 V232L224-I228 HydrophobicContact CD1-CD1 3.85Å; L224-I228 HydrophobicContact CD1-CG1 4.24Å; L224-I228 HydrophobicContact CD2-CD1 4.34Å; L224-I228 HydrophobicContact CG-CD1 3.89Å; L224-I228 PolarHBondContact O-N 3.34Å; L224-I228 VanDerWaalsContact O-N 3.12Å; A225-I228 PolarHBondContact O-N 3.5Å; I228-G230 VanDerWaalsContact C-N 3.31Å; I228-G230 PolarHBondContact O-N 3.24Å; I228-T231 WeakPolarHBondContact O-CB 3.18Å; I228-T231 PolarHBondContact O-N 2.91Å; I228-V232 WeakPolarHBondContact O-CG2 3.47Å; I228-V232 PolarHBondContact O-N 3.33Å
229I98.2Very high97.7Very high65 Ų6536.6 Ų36.633%0.33319%0.193SC..Hα-helixtrans-68.8-34.7179.9-57.3-57.1000110.3W84 T88 A225 T231 V232 L233W84-I229 HydrophobicContact CH2-CB 4.23Å; W84-I229 HydrophobicContact CH2-CG1 4.22Å; W84-I229 HydrophobicContact CH2-CG2 4.32Å; T88-I229 HydrophobicContact CG2-CB 4.07Å; T88-I229 HydrophobicContact CG2-CG2 4.03Å; A225-I229 HydrophobicContact CB-CG1 4.33Å; A225-I229 WeakPolarHBondContact O-CA 3.37Å; A225-I229 WeakPolarHBondContact O-CB 3.39Å; A225-I229 VanDerWaalsContact O-CG1 3.29Å; A225-I229 WeakPolarHBondContact O-CG1 3.31Å; A225-I229 PolarHBondContact O-N 3.27Å; I229-T231 VanDerWaalsContact C-N 3.34Å; I229-T231 PolarHBondContact O-N 3.08Å; I229-V232 PolarHBondContact O-N 3.45Å; I229-L233 HydrophobicContact CG2-CD1 3.72Å; I229-L233 HydrophobicContact CG2-CG 4.07Å; I229-L233 WeakPolarHBondContact O-CB 3.48Å; I229-L233 VanDerWaalsContact O-CG 3.26Å; I229-L233 WeakPolarHBondContact O-CG 3.37Å; I229-L233 PolarHBondContact O-N 2.68Å
230G98.4Very high97.7Very high0 Ų033.8 Ų33.80%018%0.181CC..Hα-helixtrans-54.6-49.9170.100000111.8G93 Y226 F227 I228 V232 L233 G234G93-G230 VanDerWaalsContact CA-O 3.26Å; G93-G230 WeakPolarHBondContact CA-O 3.1Å; Y226-G230 WeakPolarHBondContact O-CA 3.31Å; Y226-G230 PolarHBondContact O-N 3.37Å; Y226-G230 VanDerWaalsContact O-N 3.13Å; F227-G230 PolarHBondContact O-N 3.3Å; I228-G230 VanDerWaalsContact C-N 3.31Å; I228-G230 PolarHBondContact O-N 3.24Å; G230-V232 PolarHBondContact O-N 2.83Å; G230-L233 PolarHBondContact O-N 3.1Å; G230-G234 PolarHBondContact O-N 3.2Å
231T98.2Very high97.7Very high0 Ų032.6 Ų32.60%017%0.168CC..Hα-helixtrans-59.3-48.4175.7-58.60000112.5N96 M131 L133 I135 F227 I228 I229 L233 G234 L235N96-T231 PolarHBondContact ND2-OG1 3.41Å; M131-T231 VanDerWaalsContact C-OG1 3.28Å; M131-T231 WeakPolarHBondContact CA-OG1 3.26Å; M131-T231 HydrophobicContact CB-CG2 4.26Å; M131-T231 HydrophobicContact CE-CG2 3.93Å; M131-T231 WeakPolarHBondContact O-CB 3.35Å; M131-T231 PolarHBondContact O-OG1 3.11Å; L133-T231 HydrophobicContact CD1-CG2 4.15Å; I135-T231 HydrophobicContact CD1-CG2 4.32Å; F227-T231 PolarHBondContact O-N 3.11Å; F227-T231 PolarHBondContact O-OG1 2.9Å; F227-T231 VanDerWaalsContact O-OG1 3.05Å; I228-T231 WeakPolarHBondContact O-CB 3.18Å; I228-T231 PolarHBondContact O-N 2.91Å; I229-T231 VanDerWaalsContact C-N 3.34Å; I229-T231 PolarHBondContact O-N 3.08Å; T231-L233 VanDerWaalsContact C-N 3.31Å; T231-L233 PolarHBondContact O-N 2.85Å; T231-G234 PolarHBondContact O-N 2.86Å; T231-L235 HydrophobicContact CG2-CD1 3.61Å; T231-L235 HydrophobicContact CG2-CG 4.16Å; T231-L235 WeakPolarHBondContact O-CB 3.43Å; T231-L235 VanDerWaalsContact O-CG 3.26Å; T231-L235 WeakPolarHBondContact O-CG 3.49Å; T231-L235 PolarHBondContact O-N 3.3Å
232V97Very high97.7Very high56 Ų5628.3 Ų28.334%0.33915%0.146SC..Hα-helixtrans-60.6-42.7179.7174.50000111.1I228 I229 G230 G236I228-V232 WeakPolarHBondContact O-CG2 3.47Å; I228-V232 PolarHBondContact O-N 3.33Å; I229-V232 PolarHBondContact O-N 3.45Å; G230-V232 PolarHBondContact O-N 2.83Å; V232-G236 WeakPolarHBondContact O-CA 3.35Å; V232-G236 PolarHBondContact O-N 2.88Å
233L97Very high97.6Very high48 Ų4821.2 Ų21.225%0.25112%0.12SC..Hα-helixtrans-70.2-43.9178.8-69.6173.3000112.1L85 T88 Y89 I229 G230 T231 G236 H238L85-L233 HydrophobicContact CD1-CD1 4.34Å; T88-L233 HydrophobicContact CG2-CD1 4.29Å; Y89-L233 HydrophobicContact CD2-CB 3.97Å; Y89-L233 HydrophobicContact CD2-CD1 4.1Å; Y89-L233 HydrophobicContact CD2-CD2 4.37Å; Y89-L233 HydrophobicContact CD2-CG 4.37Å; Y89-L233 HydrophobicContact CE2-CB 4.49Å; I229-L233 HydrophobicContact CG2-CD1 3.72Å; I229-L233 HydrophobicContact CG2-CG 4.07Å; I229-L233 WeakPolarHBondContact O-CB 3.48Å; I229-L233 VanDerWaalsContact O-CG 3.26Å; I229-L233 WeakPolarHBondContact O-CG 3.37Å; I229-L233 PolarHBondContact O-N 2.68Å; G230-L233 PolarHBondContact O-N 3.1Å; T231-L233 VanDerWaalsContact C-N 3.31Å; T231-L233 PolarHBondContact O-N 2.85Å; L233-G236 CarbonylContact O-C 3.23Å; L233-G236 PolarHBondContact O-N 3.13Å; L233-H238 WeakPolarHBondContact O-CB 3.35Å
234G97.8Very high97.4Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-67.9-34.5-178.600000113.7G93 H97 G230 T231 H238G93-G234 WeakPolarHBondContact O-CA 3.41Å; H97-G234 PolarHBondContact ND1-O 3.21Å; G230-G234 PolarHBondContact O-N 3.2Å; T231-G234 PolarHBondContact O-N 2.86Å; G234-H238 WeakPolarHBondContact O-CB 3.42Å
235L96.3Very high97.2Very high30 Ų3022.2 Ų22.216%0.15712%0.123CC..Hα-helixtrans-84.6-19.2174.3-60.1-178.5000112.6M131 P182 T231 F244M131-L235 HydrophobicContact CE-CD1 4.32Å; P182-L235 HydrophobicContact CB-CB 4.14Å; P182-L235 VanDerWaalsContact CG-C 3.45Å; P182-L235 HydrophobicContact CG-CB 3.96Å; T231-L235 HydrophobicContact CG2-CD1 3.61Å; T231-L235 HydrophobicContact CG2-CG 4.16Å; T231-L235 WeakPolarHBondContact O-CB 3.43Å; T231-L235 VanDerWaalsContact O-CG 3.26Å; T231-L235 WeakPolarHBondContact O-CG 3.49Å; T231-L235 PolarHBondContact O-N 3.3Å; L235-F244 HydrophobicContact CB-CE2 4.46Å; L235-F244 HydrophobicContact CD2-CE2 4.25Å; L235-F244 HydrophobicContact CD2-CZ 3.92Å; L235-F244 WeakPolarHBondContact O-CE2 3.41Å
236G94.8Very high97Very high3 Ų321.4 Ų21.43%0.03112%0.116CC..SBendtrans-93.6-130.7179.500000111.7P182 V232 L233 H238 S241P182-G236 VanDerWaalsContact CG-N 3.28Å; V232-G236 WeakPolarHBondContact O-CA 3.35Å; V232-G236 PolarHBondContact O-N 2.88Å; L233-G236 CarbonylContact O-C 3.23Å; L233-G236 PolarHBondContact O-N 3.13Å; G236-H238 VanDerWaalsContact C-N 3.28Å; G236-H238 PolarHBondContact O-N 2.87Å; G236-S241 WeakPolarHBondContact O-CB 3.26Å; G236-S241 PolarHBondContact O-OG 3.26Å
237L93.9Very high96.8Very high61 Ų6122.3 Ų22.332%0.31912%0.12SC..SBendtrans-71.277.9-177.9-169.169.5000112.8Y89 F175 L178 I179Y89-L237 WeakPolarHBondContact CE2-O 3.25Å; Y89-L237 PolarHBondContact OH-O 3.48Å; F175-L237 HydrophobicContact CE2-CD1 4.16Å; F175-L237 HydrophobicContact CE2-CD2 3.7Å; F175-L237 HydrophobicContact CZ-CD2 3.74Å; L178-L237 HydrophobicContact CB-CD1 3.99Å; L178-L237 HydrophobicContact CD1-CD1 3.94Å; I179-L237 HydrophobicContact CG1-CB 4.37Å; I179-L237 HydrophobicContact CG1-CD2 4.31Å
238H98Very high96.5Very high11 Ų1122.7 Ų22.75%0.05112%0.122CC..SBendtrans-136.3144.4179.7-174.1-99.4000110.7T94 L233 G234 G236 L240 S241 L312T94-H238 PolarHBondContact OG1-NE2 3.15Å; L233-H238 WeakPolarHBondContact O-CB 3.35Å; G234-H238 WeakPolarHBondContact O-CB 3.42Å; G236-H238 VanDerWaalsContact C-N 3.28Å; G236-H238 PolarHBondContact O-N 2.87Å; H238-L240 PolarHBondContact ND1-N 2.94Å; H238-L240 PolarHBondContact O-N 2.58Å; H238-L240 VanDerWaalsContact O-N 3.09Å; H238-S241 PolarHBondContact N-OG 3.4Å; H238-S241 VanDerWaalsContact O-CB 3.3Å; H238-S241 WeakPolarHBondContact O-CB 3.16Å; H238-S241 PolarHBondContact O-N 3.4Å; H238-S241 PolarHBondContact O-OG 2.85Å; H238-L312 WeakPolarHBondContact O-CD1 2.79Å
239P98Very high96.2Very high55 Ų5520.5 Ų20.536%0.35711%0.11SC..G310 helixtrans-49.9-40.3-179.1-32.838.3000114.9G242 L308P239-G242 PolarHBondContact O-N 2.65Å; P239-L308 WeakPolarHBondContact O-CB 3.44Å
240L98.4Very high95.5Very high13 Ų1318 Ų187%0.06810%0.098CC..G310 helixtrans-68.5-34.6179.9-58.5179.5000112.3T94 H97 H238 G242 H243 L267 M268 L308T94-L240 HydrophobicContact CG2-CD1 4.18Å; H97-L240 HydrophobicContact CB-CD1 4.27Å; H97-L240 WeakPolarHBondContact CD2-CB 3.15Å; H97-L240 VanDerWaalsContact NE2-CB 3.32Å; H97-L240 WeakPolarHBondContact NE2-CB 3.32Å; H238-L240 PolarHBondContact ND1-N 2.94Å; H238-L240 PolarHBondContact O-N 2.58Å; H238-L240 VanDerWaalsContact O-N 3.09Å; L240-G242 PolarHBondContact O-N 3.45Å; L240-H243 PolarHBondContact O-CD2 3.5Å; L240-H243 PolarHBondContact O-N 3.25Å; L240-L267 HydrophobicContact CD1-CB 4.05Å; L240-L267 HydrophobicContact CD1-CD1 4.39Å; L240-M268 HydrophobicContact CB-SD 4.23Å; L240-M268 HydrophobicContact CD1-CG 4.48Å; L240-M268 HydrophobicContact CD2-CG 4.02Å; L240-M268 HydrophobicContact CD2-SD 3.99Å; L240-L308 HydrophobicContact CD2-CD1 4.44Å
241S97.3Very high94Very high5 Ų519.8 Ų19.84%0.03511%0.105CC..G310 helixtrans-56.1-15.8178.275.40000115.1H97 G236 H238 H243 F244H97-S241 PolarHBondContact CE1-N 3.46Å; G236-S241 WeakPolarHBondContact O-CB 3.26Å; G236-S241 PolarHBondContact O-OG 3.26Å; H238-S241 PolarHBondContact N-OG 3.4Å; H238-S241 VanDerWaalsContact O-CB 3.3Å; H238-S241 WeakPolarHBondContact O-CB 3.16Å; H238-S241 PolarHBondContact O-N 3.4Å; H238-S241 PolarHBondContact O-OG 2.85Å; S241-H243 PolarHBondContact O-N 2.72Å; S241-H243 VanDerWaalsContact O-N 3.08Å; S241-F244 WeakPolarHBondContact O-CB 3.3Å; S241-F244 WeakPolarHBondContact O-CD2 2.93Å; S241-F244 PolarHBondContact O-N 3.37Å; S241-F244 VanDerWaalsContact O-N 3.13Å
242G97.5Very high92.1Very high0 Ų025 Ų250%015%0.148CC..G310 helixtrans-55.6-23171.400000112.7P239 L240 F244 I245 S246 V311P239-G242 PolarHBondContact O-N 2.65Å; L240-G242 PolarHBondContact O-N 3.45Å; G242-F244 VanDerWaalsContact C-N 3.34Å; G242-F244 PolarHBondContact O-N 3.41Å; G242-I245 PolarHBondContact O-N 2.99Å; G242-I245 VanDerWaalsContact O-N 3.14Å; G242-S246 PolarHBondContact O-N 3.12Å; G242-V311 WeakPolarHBondContact O-CG1 3.4Å
243H96.6Very high90.8Very high9 Ų924.1 Ų24.14%0.04214%0.142CC..Hα-helixtrans-62.8-38.5177.686.888.7000112.4H97 L240 S241 I245 S246 E247 M268 L308H97-H243 AromaticContact CE1-CD2 3.33Å; H97-H243 PolarHBondContact CE1-CD2 3.27Å; H97-H243 AromaticContact CE1-NE2 3.24Å; H97-H243 PolarHBondContact CE1-NE2 3.05Å; H97-H243 AromaticContact NE2-CD2 3.06Å; H97-H243 PolarHBondContact NE2-CD2 2.92Å; H97-H243 AromaticContact NE2-NE2 3.14Å; H97-H243 PolarHBondContact NE2-NE2 3.3Å; H97-H243 VanDerWaalsContact NE2-NE2 3.14Å; L240-H243 PolarHBondContact O-CD2 3.5Å; L240-H243 PolarHBondContact O-N 3.25Å; S241-H243 PolarHBondContact O-N 2.72Å; S241-H243 VanDerWaalsContact O-N 3.08Å; H243-I245 PolarHBondContact O-N 3.06Å; H243-S246 WeakPolarHBondContact CA-OG 3.47Å; H243-S246 PolarHBondContact O-N 3.45Å; H243-S246 VanDerWaalsContact O-N 3.16Å; H243-S246 PolarHBondContact O-OG 2.72Å; H243-E247 IonicContact CE1-OE1 3.34Å; H243-E247 IonicContact CG-OE1 2.65Å; H243-E247 IonicContact ND1-OE1 2.73Å; H243-E247 PolarHBondContact ND1-OE1 3.42Å; H243-E247 IonicContact ND1-OE2 3.37Å; H243-E247 WeakPolarHBondContact O-CB 3.44Å; H243-E247 VanDerWaalsContact O-CD 3.25Å; H243-E247 WeakPolarHBondContact O-CG 3.43Å; H243-E247 PolarHBondContact O-N 2.83Å; H243-E247 VanDerWaalsContact O-N 3.07Å; H243-M268 HydrophobicContact CB-SD 4.13Å; H243-L308 HydrophobicContact CB-CD2 4.34Å
244F95.1Very high89.5Confident41 Ų4126.4 Ų26.418%0.1815%0.152CC..Hα-helixtrans-55.6-20.4175.3-63.3-52000114.1H97 H181 L235 S241 G242H97-F244 AromaticContact CE1-CE2 3.9Å; H181-F244 AromaticContact CE1-CD2 3.98Å; H181-F244 AromaticContact CE1-CG 3.96Å; L235-F244 HydrophobicContact CB-CE2 4.46Å; L235-F244 HydrophobicContact CD2-CE2 4.25Å; L235-F244 HydrophobicContact CD2-CZ 3.92Å; L235-F244 WeakPolarHBondContact O-CE2 3.41Å; S241-F244 WeakPolarHBondContact O-CB 3.3Å; S241-F244 WeakPolarHBondContact O-CD2 2.93Å; S241-F244 PolarHBondContact O-N 3.37Å; S241-F244 VanDerWaalsContact O-N 3.13Å; G242-F244 VanDerWaalsContact C-N 3.34Å; G242-F244 PolarHBondContact O-N 3.41Å
245I94.7Very high88.6Confident2 Ų227.4 Ų27.41%0.0116%0.156CC..Hα-helixtrans-104.6-45.3178.9-49.8177.1000109.8W177 L178 G242 H243 E247 Y249 F251 V311 L312 F315W177-I245 HydrophobicContact CZ3-CD1 4.29Å; L178-I245 HydrophobicContact CD2-CD1 3.47Å; L178-I245 VanDerWaalsContact CD2-CD1 3.47Å; G242-I245 PolarHBondContact O-N 2.99Å; G242-I245 VanDerWaalsContact O-N 3.14Å; H243-I245 PolarHBondContact O-N 3.06Å; I245-E247 PolarHBondContact O-N 3.19Å; I245-E247 VanDerWaalsContact O-N 3.12Å; I245-Y249 HydrophobicContact CB-CD2 4.26Å; I245-Y249 HydrophobicContact CB-CE2 4.41Å; I245-Y249 HydrophobicContact CG2-CD1 3.96Å; I245-Y249 HydrophobicContact CG2-CD2 3.75Å; I245-Y249 HydrophobicContact CG2-CE1 4.34Å; I245-Y249 HydrophobicContact CG2-CE2 4.1Å; I245-Y249 HydrophobicContact CG2-CG 3.65Å; I245-Y249 VanDerWaalsContact O-CB 3.26Å; I245-Y249 WeakPolarHBondContact O-CB 3.31Å; I245-Y249 WeakPolarHBondContact O-CD2 3.36Å; I245-Y249 PolarHBondContact O-N 3.16Å; I245-F251 HydrophobicContact CG2-CE2 3.86Å; I245-F251 HydrophobicContact CG2-CZ 3.54Å; I245-V311 HydrophobicContact CB-CG1 3.91Å; I245-V311 HydrophobicContact CG2-CG1 4.16Å; I245-L312 HydrophobicContact CD1-CD2 3.91Å; I245-F315 HydrophobicContact CD1-CB 4Å; I245-F315 HydrophobicContact CD1-CD1 4.02Å; I245-F315 HydrophobicContact CD1-CD2 3.75Å; I245-F315 HydrophobicContact CD1-CE1 4.41Å; I245-F315 HydrophobicContact CD1-CE2 4.12Å; I245-F315 HydrophobicContact CD1-CG 3.65Å; I245-F315 HydrophobicContact CD1-CZ 4.44Å; I245-F315 HydrophobicContact CG1-CD2 4.41Å; I245-F315 HydrophobicContact CG2-CB 4.34Å; I245-F315 HydrophobicContact CG2-CD2 3.52Å; I245-F315 HydrophobicContact CG2-CE2 4.12Å; I245-F315 HydrophobicContact CG2-CG 4.22Å
246S93.4Very high88Confident1 Ų126.2 Ų26.21%0.00715%0.151CC..Hα-helixtrans-59.4-29.9-176.969.30000112.8G242 H243 H258G242-S246 PolarHBondContact O-N 3.12Å; H243-S246 WeakPolarHBondContact CA-OG 3.47Å; H243-S246 PolarHBondContact O-N 3.45Å; H243-S246 VanDerWaalsContact O-N 3.16Å; H243-S246 PolarHBondContact O-OG 2.72Å; S246-H258 WeakPolarHBondContact O-CB 3.12Å
247E94.7Very high87.8Confident20 Ų2026.2 Ų26.29%0.09315%0.15CC..THydrogen-bonded Turntrans-69-40.5-170.4-76.7167.9-175.300113.6H243 I245 T257 H258 H274H243-E247 IonicContact CE1-OE1 3.34Å; H243-E247 IonicContact CG-OE1 2.65Å; H243-E247 IonicContact ND1-OE1 2.73Å; H243-E247 PolarHBondContact ND1-OE1 3.42Å; H243-E247 IonicContact ND1-OE2 3.37Å; H243-E247 WeakPolarHBondContact O-CB 3.44Å; H243-E247 VanDerWaalsContact O-CD 3.25Å; H243-E247 WeakPolarHBondContact O-CG 3.43Å; H243-E247 PolarHBondContact O-N 2.83Å; H243-E247 VanDerWaalsContact O-N 3.07Å; I245-E247 PolarHBondContact O-N 3.19Å; I245-E247 VanDerWaalsContact O-N 3.12Å; E247-T257 CarbonylContact O-C 3.54Å; E247-T257 WeakPolarHBondContact O-CA 3.19Å; E247-H258 PolarHBondContact O-N 3.02Å; E247-H274 WeakPolarHBondContact CB-CD2 3.46Å; E247-H274 HydrophobicContact CG-CB 4.18Å; E247-H274 WeakPolarHBondContact CG-CD2 3.32Å; E247-H274 IonicContact OE2-CE1 3.94Å; E247-H274 IonicContact OE2-NE2 2.65Å
248H93.3Very high87.8Confident7 Ų723.4 Ų23.43%0.03214%0.135CC..THydrogen-bonded Turntrans-138.515.8-169.5-62.1-58.9000115H146 L150 A256 T257 H274 H278 C327H146-H248 AromaticContact CE1-CD2 3.54Å; H146-H248 AromaticContact CE1-CE1 4Å; H146-H248 AromaticContact CE1-NE2 3.28Å; H146-H248 PolarHBondContact CE1-NE2 3.17Å; H146-H248 VanDerWaalsContact CE1-NE2 3.28Å; H146-H248 AromaticContact NE2-CD2 3.83Å; H146-H248 AromaticContact NE2-CE1 3.88Å; H146-H248 AromaticContact NE2-NE2 3.13Å; H146-H248 PolarHBondContact NE2-NE2 3.44Å; H146-H248 VanDerWaalsContact NE2-NE2 3.13Å; L150-H248 VanDerWaalsContact CD1-CE1 3.44Å; L150-H248 WeakPolarHBondContact CD1-CE1 3.38Å; H248-A256 PolarHBondContact ND1-O 3.5Å; H248-T257 PolarHBondContact ND1-OG1 3.09Å; H248-H274 AromaticContact CD2-NE2 3.85Å; H248-H274 AromaticContact CE1-CD2 3.75Å; H248-H274 AromaticContact CE1-NE2 3.32Å; H248-H274 PolarHBondContact CE1-NE2 3Å; H248-H274 VanDerWaalsContact CE1-NE2 3.32Å; H248-H274 AromaticContact NE2-CD2 3.7Å; H248-H274 AromaticContact NE2-CE1 3.96Å; H248-H274 AromaticContact NE2-NE2 2.89Å; H248-H274 PolarHBondContact NE2-NE2 3.5Å; H248-H278 AromaticContact CE1-CE1 3.62Å; H248-H278 AromaticContact CE1-NE2 3.46Å; H248-H278 PolarHBondContact CE1-NE2 3.14Å; H248-H278 AromaticContact NE2-CE1 3.81Å; H248-H278 AromaticContact NE2-NE2 3.45Å; H248-H278 PolarHBondContact NE2-NE2 3.01Å; H248-C327 VanDerWaalsContact O-CB 3.23Å; H248-C327 WeakPolarHBondContact O-CB 3.46Å; H248-C327 PolarHBondContact O-N 3.19Å
249Y91.8Very high87.7Confident3 Ų323 Ų231%0.01213%0.133CC..BIsolated β-bridgetrans-100.9139.1174.6-74.3-116.2000111.2I245 F251 H258 F315 G322 A325 H326I245-Y249 HydrophobicContact CB-CD2 4.26Å; I245-Y249 HydrophobicContact CB-CE2 4.41Å; I245-Y249 HydrophobicContact CG2-CD1 3.96Å; I245-Y249 HydrophobicContact CG2-CD2 3.75Å; I245-Y249 HydrophobicContact CG2-CE1 4.34Å; I245-Y249 HydrophobicContact CG2-CE2 4.1Å; I245-Y249 HydrophobicContact CG2-CG 3.65Å; I245-Y249 VanDerWaalsContact O-CB 3.26Å; I245-Y249 WeakPolarHBondContact O-CB 3.31Å; I245-Y249 WeakPolarHBondContact O-CD2 3.36Å; I245-Y249 PolarHBondContact O-N 3.16Å; Y249-F251 WeakPolarHBondContact O-CD2 3.34Å; Y249-F251 PolarHBondContact O-N 2.8Å; Y249-F251 VanDerWaalsContact O-N 3.08Å; Y249-H258 PolarHBondContact O-CE1 3.09Å; Y249-H258 VanDerWaalsContact O-CE1 3.26Å; Y249-F315 HydrophobicContact CD1-CD2 4.47Å; Y249-F315 HydrophobicContact CD1-CE2 4.25Å; Y249-F315 HydrophobicContact CE1-CD2 4.35Å; Y249-F315 AromaticContact CE1-CE2 3.71Å; Y249-F315 HydrophobicContact CE1-CE2 3.71Å; Y249-G322 VanDerWaalsContact CE1-O 3.26Å; Y249-G322 WeakPolarHBondContact CE1-O 3.41Å; Y249-A325 HydrophobicContact CD1-CB 4.15Å; Y249-H326 HydrophobicContact CD1-CB 4.22Å; Y249-H326 HydrophobicContact CD2-CB 4.48Å; Y249-H326 AromaticContact CD2-CD2 3.79Å; Y249-H326 HydrophobicContact CE1-CB 3.92Å; Y249-H326 HydrophobicContact CE2-CB 4.27Å; Y249-H326 AromaticContact CE2-CD2 3.24Å; Y249-H326 WeakPolarHBondContact CE2-CD2 3.33Å; Y249-H326 HydrophobicContact CG-CB 4.48Å; Y249-H326 AromaticContact CZ-CD2 3.58Å
250L84.1Confident87.7Confident12 Ų1220.8 Ų20.86%0.06312%0.118CC..  trans-82.386.8-179.4-59.3-173.6000109.7V12 T13 A252 D253 Q255 A325 C327V12-L250 WeakPolarHBondContact O-CD1 3.26Å; T13-L250 HydrophobicContact CG2-CB 4.16Å; T13-L250 HydrophobicContact CG2-CD1 4.02Å; L250-A252 PolarHBondContact O-N 3.35Å; L250-D253 WeakPolarHBondContact CB-O 3.31Å; L250-Q255 WeakPolarHBondContact CD2-O 3.46Å; L250-A325 PolarHBondContact N-O 3.06Å; L250-C327 HydrophobicContact CD1-CB 4.38Å; L250-C327 HydrophobicContact CD2-CB 3.86Å; L250-C327 HydrophobicContact CG-CB 3.95Å
251F66.5Low87.6Confident38 Ų3822.1 Ų22.117%0.16712%0.122CC..SBendtrans-7652.6176.6-74.6-94.8000112.5I245 Y249 H305 V311 D314 N321I245-F251 HydrophobicContact CG2-CE2 3.86Å; I245-F251 HydrophobicContact CG2-CZ 3.54Å; Y249-F251 WeakPolarHBondContact O-CD2 3.34Å; Y249-F251 PolarHBondContact O-N 2.8Å; Y249-F251 VanDerWaalsContact O-N 3.08Å; F251-H305 AromaticContact CD2-CE1 3.52Å; F251-H305 AromaticContact CD2-NE2 3.68Å; F251-H305 AromaticContact CG-CE1 3.77Å; F251-V311 HydrophobicContact CE1-CG1 4.32Å; F251-V311 HydrophobicContact CE2-CG1 4.02Å; F251-V311 HydrophobicContact CZ-CB 4.42Å; F251-V311 HydrophobicContact CZ-CG1 3.54Å; F251-D314 HydrophobicContact CD1-CB 4.12Å; F251-D314 HydrophobicContact CE1-CB 3.85Å; F251-N321 WeakPolarHBondContact CD1-ND2 3.33Å; F251-N321 WeakPolarHBondContact CE1-ND2 3.3Å
252A58.5Low87.6Confident109 Ų10923 Ų2390%0.90113%0.133SC*.SBendtrans78.49.2-178.100000117.3L250L250-A252 PolarHBondContact O-N 3.35Å
253D68.5Low87.6Confident39 Ų3929.3 Ų29.321%0.20917%0.165CC..SBendtrans-108.9170.7160.660.150.9000109.8L250 Q255 H258 P303L250-D253 WeakPolarHBondContact CB-O 3.31Å; D253-Q255 VanDerWaalsContact C-N 3.35Å; D253-Q255 WeakPolarHBondContact OD1-CB 3.5Å; D253-Q255 PolarHBondContact OD1-N 3.1Å; D253-H258 IonicContact OD1-CD2 3.79Å; D253-H258 IonicContact OD1-CE1 2.6Å; D253-H258 PolarHBondContact OD1-CE1 3.14Å; D253-H258 VanDerWaalsContact OD1-CE1 3.26Å; D253-H258 IonicContact OD1-NE2 2.72Å; D253-H258 PolarHBondContact OD1-NE2 3.48Å; D253-H258 IonicContact OD2-CD2 2.62Å; D253-H258 PolarHBondContact OD2-CD2 2.84Å; D253-H258 IonicContact OD2-NE2 3.76Å; D253-H258 PolarHBondContact OD2-NE2 3.46Å; D253-P303 HydrophobicContact CB-CG 4.12Å; D253-P303 WeakPolarHBondContact OD2-CB 3.42Å
254Q70.3Confident87.6Confident96 Ų9629.2 Ų29.245%0.44917%0.166SC..  trans-98.919.4176.7-69.6176.249.400111.1R10 G11R10-Q254 CarbonylContact C-O 3.49Å; R10-Q254 VanDerWaalsContact CA-O 3.22Å; R10-Q254 WeakPolarHBondContact CA-O 3.43Å; R10-Q254 HydrophobicContact CB-CB 3.99Å; R10-Q254 VanDerWaalsContact CD-OE1 3.25Å; R10-Q254 HydrophobicContact CG-CB 3.8Å; G11-Q254 PolarHBondContact N-O 3.25Å
255Q79.6Confident87.8Confident21 Ų2127.7 Ų27.710%0.09816%0.16CC..BIsolated β-bridgetrans-83.1122-175.9-179175.3-69.600110.5L250 D253 T257 H258 L302 P303L250-Q255 WeakPolarHBondContact CD2-O 3.46Å; D253-Q255 VanDerWaalsContact C-N 3.35Å; D253-Q255 WeakPolarHBondContact OD1-CB 3.5Å; D253-Q255 PolarHBondContact OD1-N 3.1Å; Q255-T257 VanDerWaalsContact C-N 3.25Å; Q255-T257 VanDerWaalsContact CG-O 3.24Å; Q255-T257 WeakPolarHBondContact CG-O 3.43Å; Q255-T257 PolarHBondContact NE2-O 3.46Å; Q255-T257 PolarHBondContact O-N 2.78Å; Q255-H258 PolarHBondContact O-CE1 3.29Å; Q255-L302 VanDerWaalsContact OE1-CB 3.31Å; Q255-P303 PolarHBondContact NE2-O 3.03Å; Q255-P303 VanDerWaalsContact NE2-O 3.13Å; Q255-P303 VanDerWaalsContact OE1-CD 3.29Å
256A82.8Confident87.8Confident5 Ų537 Ų374%0.04120%0.197CC..SBendtrans-65-24.4-174.500000115.6P31 H248 C327P31-A256 HydrophobicContact CG-CB 4.42Å; H248-A256 PolarHBondContact ND1-O 3.5Å; A256-C327 VanDerWaalsContact CA-SG 3.55Å; A256-C327 VanDerWaalsContact CB-SG 3.52Å
257T91.4Very high88Confident3 Ų340.5 Ų40.52%0.01822%0.215CC..  trans-140.9132.6-174.4-54.90000110H32 E247 H248 Q255 H274 V275H32-T257 WeakPolarHBondContact NE2-CB 3.47Å; H32-T257 PolarHBondContact NE2-OG1 2.86Å; E247-T257 CarbonylContact O-C 3.54Å; E247-T257 WeakPolarHBondContact O-CA 3.19Å; H248-T257 PolarHBondContact ND1-OG1 3.09Å; Q255-T257 VanDerWaalsContact C-N 3.25Å; Q255-T257 VanDerWaalsContact CG-O 3.24Å; Q255-T257 WeakPolarHBondContact CG-O 3.43Å; Q255-T257 PolarHBondContact NE2-O 3.46Å; Q255-T257 PolarHBondContact O-N 2.78Å; T257-H274 VanDerWaalsContact CG2-CD2 3.49Å; T257-H274 WeakPolarHBondContact CG2-CD2 3.41Å; T257-V275 HydrophobicContact CG2-CG2 4.01Å; T257-V275 WeakPolarHBondContact O-CG2 3.47Å
258H93.3Very high88.2Confident1 Ų139.6 Ų39.61%0.00521%0.21CC..  trans-123.2145.1178.4-51.669.6000112.9S246 E247 Y249 D253 Q255 H274S246-H258 WeakPolarHBondContact O-CB 3.12Å; E247-H258 PolarHBondContact O-N 3.02Å; Y249-H258 PolarHBondContact O-CE1 3.09Å; Y249-H258 VanDerWaalsContact O-CE1 3.26Å; D253-H258 IonicContact OD1-CD2 3.79Å; D253-H258 IonicContact OD1-CE1 2.6Å; D253-H258 PolarHBondContact OD1-CE1 3.14Å; D253-H258 VanDerWaalsContact OD1-CE1 3.26Å; D253-H258 IonicContact OD1-NE2 2.72Å; D253-H258 PolarHBondContact OD1-NE2 3.48Å; D253-H258 IonicContact OD2-CD2 2.62Å; D253-H258 PolarHBondContact OD2-CD2 2.84Å; D253-H258 IonicContact OD2-NE2 3.76Å; D253-H258 PolarHBondContact OD2-NE2 3.46Å; Q255-H258 PolarHBondContact O-CE1 3.29Å; H258-H274 WeakPolarHBondContact O-CB 3.38Å
259S96.3Very high88.4Confident2 Ų239.7 Ų39.71%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-88.8151.6170.3-650000111.1Y261 G272 H274 V275 E276 Y304 H305S259-Y261 VanDerWaalsContact CB-CZ 3.43Å; S259-Y261 WeakPolarHBondContact CB-OH 3.49Å; S259-G272 CarbonylContact C-O 3.55Å; S259-G272 WeakPolarHBondContact CA-O 3.49Å; S259-G272 WeakPolarHBondContact CB-O 3.17Å; S259-H274 PolarHBondContact OG-N 3.35Å; S259-V275 WeakPolarHBondContact OG-CB 3.13Å; S259-V275 WeakPolarHBondContact OG-CG2 3.06Å; S259-V275 PolarHBondContact OG-N 3.33Å; S259-E276 PolarHBondContact OG-OE2 3.41Å; S259-Y304 CarbonylContact O-C 3.52Å; S259-Y304 VanDerWaalsContact O-CA 3.25Å; S259-Y304 WeakPolarHBondContact O-CA 3.08Å; S259-Y304 VanDerWaalsContact O-CB 3.26Å; S259-Y304 WeakPolarHBondContact O-CB 3.31Å; S259-H305 PolarHBondContact O-N 2.92Å
260Y97.2Very high88.8Confident10 Ų1041 Ų414%0.03922%0.217CC..EExtended strand (participates in β ladder)trans-113.5119.4166.3162.1-102.1000109.8G262 I263 G264 N265 M268 G272 H305 K306 L308Y260-G262 VanDerWaalsContact CZ-CA 3.4Å; Y260-G262 VanDerWaalsContact OH-CA 3.32Å; Y260-G262 WeakPolarHBondContact OH-CA 3.46Å; Y260-I263 PolarHBondContact OH-N 3.44Å; Y260-G264 PolarHBondContact OH-N 2.98Å; Y260-N265 PolarHBondContact O-ND2 3.4Å; Y260-M268 HydrophobicContact CD1-CE 3.62Å; Y260-M268 HydrophobicContact CE1-CE 3.69Å; Y260-G272 CarbonylContact C-O 3.58Å; Y260-G272 PolarHBondContact N-O 3.16Å; Y260-G272 CarbonylContact O-C 3.57Å; Y260-G272 VanDerWaalsContact O-C 3.23Å; Y260-G272 VanDerWaalsContact O-CA 3.3Å; Y260-G272 WeakPolarHBondContact O-CA 3.11Å; Y260-G272 VanDerWaalsContact O-O 3.07Å; Y260-H305 WeakPolarHBondContact CA-O 3.29Å; Y260-H305 HydrophobicContact CD2-CB 4.24Å; Y260-H305 WeakPolarHBondContact CD2-O 3.37Å; Y260-K306 WeakPolarHBondContact CE2-O 3.49Å; Y260-L308 HydrophobicContact CD1-CD1 4.4Å; Y260-L308 HydrophobicContact CD1-CD2 4.13Å; Y260-L308 HydrophobicContact CD1-CG 4.28Å; Y260-L308 HydrophobicContact CD2-CD2 3.75Å; Y260-L308 HydrophobicContact CD2-CG 3.98Å; Y260-L308 HydrophobicContact CE1-CD1 4.11Å; Y260-L308 HydrophobicContact CE1-CD2 4.48Å; Y260-L308 HydrophobicContact CE1-CG 4.12Å; Y260-L308 HydrophobicContact CE2-CD2 4.12Å; Y260-L308 HydrophobicContact CE2-CG 3.8Å; Y260-L308 HydrophobicContact CG-CD2 3.75Å; Y260-L308 HydrophobicContact CG-CG 4.21Å
261Y97.4Very high89.4Confident40 Ų4040.6 Ų40.616%0.15722%0.216CC..  trans-111.287.8175-53-56.4000110.1S259 Y273 E276 K292 Y304 H305S259-Y261 VanDerWaalsContact CB-CZ 3.43Å; S259-Y261 WeakPolarHBondContact CB-OH 3.49Å; Y261-Y273 HydrophobicContact CD1-CD1 4.14Å; Y261-Y273 AromaticContact CD1-CE1 3.91Å; Y261-Y273 HydrophobicContact CD1-CE1 3.91Å; Y261-Y273 HydrophobicContact CD1-CE2 4.4Å; Y261-Y273 HydrophobicContact CD1-CG 4.45Å; Y261-Y273 AromaticContact CE1-CD1 3.6Å; Y261-Y273 HydrophobicContact CE1-CD1 3.6Å; Y261-Y273 AromaticContact CE1-CE1 3.72Å; Y261-Y273 HydrophobicContact CE1-CE1 3.72Å; Y261-Y273 HydrophobicContact CE1-CG 4.09Å; Y261-E276 WeakPolarHBondContact CE1-OE1 3.41Å; Y261-E276 PolarHBondContact OH-OE1 2.83Å; Y261-E276 PolarHBondContact OH-OE2 2.83Å; Y261-K292 HydrophobicContact CE1-CD 3.77Å; Y261-K292 WeakPolarHBondContact OH-CE 3.44Å; Y261-K292 PolarHBondContact OH-NZ 3.21Å; Y261-Y304 HydrophobicContact CD2-CD1 4.18Å; Y261-Y304 AromaticContact CD2-CD2 3.49Å; Y261-Y304 HydrophobicContact CD2-CD2 3.49Å; Y261-Y304 VanDerWaalsContact CD2-CD2 3.49Å; Y261-Y304 AromaticContact CD2-CE2 3.94Å; Y261-Y304 HydrophobicContact CD2-CE2 3.94Å; Y261-Y304 AromaticContact CD2-CG 3.62Å; Y261-Y304 HydrophobicContact CD2-CG 3.62Å; Y261-Y304 HydrophobicContact CE2-CD1 4.07Å; Y261-Y304 HydrophobicContact CE2-CD2 4.12Å; Y261-Y304 AromaticContact CE2-CG 3.75Å; Y261-Y304 HydrophobicContact CE2-CG 3.75Å; Y261-Y304 HydrophobicContact CG-CD2 4.46Å; Y261-H305 PolarHBondContact N-O 2.9Å
262G97.1Very high90.9Very high24 Ų2439 Ų3925%0.24721%0.209CC..SBendtrans-157.3-177.9176.300000113.9Y260 G264 N265Y260-G262 VanDerWaalsContact CZ-CA 3.4Å; Y260-G262 VanDerWaalsContact OH-CA 3.32Å; Y260-G262 WeakPolarHBondContact OH-CA 3.46Å; G262-G264 PolarHBondContact O-N 2.73Å; G262-G264 VanDerWaalsContact O-N 3.1Å; G262-N265 WeakPolarHBondContact O-CB 3.27Å; G262-N265 PolarHBondContact O-N 2.83Å; G262-N265 VanDerWaalsContact O-N 3.15Å
263I96.9Very high92.9Very high132 Ų13235.8 Ų35.868%0.67717%0.174SC*.G310 helixtrans-59.6-24.6-171.5-162.977.7000113.7Y260 N265 Y266Y260-I263 PolarHBondContact OH-N 3.44Å; I263-N265 PolarHBondContact O-N 3.46Å; I263-N265 VanDerWaalsContact O-N 3.11Å; I263-Y266 HydrophobicContact CD1-CD2 3.63Å; I263-Y266 HydrophobicContact CD1-CE2 3.47Å; I263-Y266 VanDerWaalsContact CD1-CE2 3.47Å; I263-Y266 HydrophobicContact CG1-CD2 4.05Å; I263-Y266 HydrophobicContact CG1-CE2 4.37Å; I263-Y266 WeakPolarHBondContact O-CD2 3.17Å; I263-Y266 PolarHBondContact O-N 3.04Å
264G96.9Very high94.2Very high7 Ų734.1 Ų34.17%0.07217%0.165CC..G310 helixtrans-58.1-25.9177.700000113.3Y260 G262 Y266 L267 M268Y260-G264 PolarHBondContact OH-N 2.98Å; G262-G264 PolarHBondContact O-N 2.73Å; G262-G264 VanDerWaalsContact O-N 3.1Å; G264-Y266 PolarHBondContact O-N 3.29Å; G264-Y266 VanDerWaalsContact O-N 3.1Å; G264-L267 CarbonylContact O-C 3.46Å; G264-L267 PolarHBondContact O-N 3.25Å; G264-M268 WeakPolarHBondContact O-CG 2.97Å; G264-M268 PolarHBondContact O-N 3.48Å
265N98.4Very high95.4Very high9 Ų929.6 Ų29.65%0.04814%0.144CC..G310 helixtrans-60.3-23.1-179.2-81.3-29.4000114.4Y260 G262 I263 L267 M268 Y269 N270 G272Y260-N265 PolarHBondContact O-ND2 3.4Å; G262-N265 WeakPolarHBondContact O-CB 3.27Å; G262-N265 PolarHBondContact O-N 2.83Å; G262-N265 VanDerWaalsContact O-N 3.15Å; I263-N265 PolarHBondContact O-N 3.46Å; I263-N265 VanDerWaalsContact O-N 3.11Å; N265-L267 PolarHBondContact O-N 3.33Å; N265-M268 PolarHBondContact O-N 3.41Å; N265-Y269 PolarHBondContact O-N 3.49Å; N265-N270 PolarHBondContact O-N 3.04Å; N265-G272 WeakPolarHBondContact OD1-CA 3.49Å; N265-G272 PolarHBondContact OD1-N 3.11Å
266Y96.4Very high96.3Very high199 Ų19928.6 Ų28.678%0.7814%0.14SC*.G310 helixtrans-64.4-28.8172.7-70.9-65.7000113.2I263 G264I263-Y266 HydrophobicContact CD1-CD2 3.63Å; I263-Y266 HydrophobicContact CD1-CE2 3.47Å; I263-Y266 VanDerWaalsContact CD1-CE2 3.47Å; I263-Y266 HydrophobicContact CG1-CD2 4.05Å; I263-Y266 HydrophobicContact CG1-CE2 4.37Å; I263-Y266 WeakPolarHBondContact O-CD2 3.17Å; I263-Y266 PolarHBondContact O-N 3.04Å; G264-Y266 PolarHBondContact O-N 3.29Å; G264-Y266 VanDerWaalsContact O-N 3.1Å
267L97.3Very high97Very high74 Ų7428.4 Ų28.439%0.38714%0.138SC..THydrogen-bonded Turntrans-106.7-2.5179.1-64171.5000112.7T94 S98 L240 G264 N265T94-L267 HydrophobicContact CG2-CD1 3.7Å; S98-L267 VanDerWaalsContact CA-O 3.24Å; S98-L267 WeakPolarHBondContact CA-O 3.43Å; S98-L267 WeakPolarHBondContact CB-O 3.38Å; S98-L267 PolarHBondContact OG-O 3.24Å; L240-L267 HydrophobicContact CD1-CB 4.05Å; L240-L267 HydrophobicContact CD1-CD1 4.39Å; G264-L267 CarbonylContact O-C 3.46Å; G264-L267 PolarHBondContact O-N 3.25Å; N265-L267 PolarHBondContact O-N 3.33Å
268M98.4Very high97.2Very high0 Ų028.3 Ų28.30%014%0.137CC..THydrogen-bonded Turntrans-117.517.4-179.3-61.5-174.9-41.200111.3L240 H243 Y260 G264 N265 N270 L271 L308L240-M268 HydrophobicContact CB-SD 4.23Å; L240-M268 HydrophobicContact CD1-CG 4.48Å; L240-M268 HydrophobicContact CD2-CG 4.02Å; L240-M268 HydrophobicContact CD2-SD 3.99Å; H243-M268 HydrophobicContact CB-SD 4.13Å; Y260-M268 HydrophobicContact CD1-CE 3.62Å; Y260-M268 HydrophobicContact CE1-CE 3.69Å; G264-M268 WeakPolarHBondContact O-CG 2.97Å; G264-M268 PolarHBondContact O-N 3.48Å; N265-M268 PolarHBondContact O-N 3.41Å; M268-N270 VanDerWaalsContact C-N 3.29Å; M268-N270 PolarHBondContact O-N 3.44Å; M268-L271 HydrophobicContact CB-CB 4.27Å; M268-L271 WeakPolarHBondContact O-CB 3.39Å; M268-L271 PolarHBondContact O-N 3.3Å; M268-L308 HydrophobicContact CE-CD1 3.76Å; M268-L308 HydrophobicContact SD-CD1 3.62Å
269Y98.3Very high97.3Very high10 Ų1028.3 Ų28.34%0.03914%0.137CC..THydrogen-bonded Turntrans49.151.5-179-65.7-92.4000111.5L56 F59 S60 E63 S98 C101 A102 N265 L271 Y285L56-Y269 HydrophobicContact CD1-CD1 3.45Å; L56-Y269 VanDerWaalsContact CD1-CD1 3.45Å; L56-Y269 HydrophobicContact CD1-CE1 3.37Å; L56-Y269 HydrophobicContact CD1-CG 4.27Å; F59-Y269 HydrophobicContact CB-CE1 4.01Å; S60-Y269 VanDerWaalsContact CA-OH 3.22Å; S60-Y269 WeakPolarHBondContact CA-OH 3.44Å; S60-Y269 WeakPolarHBondContact CB-OH 3.49Å; S60-Y269 PolarHBondContact N-OH 3.15Å; S60-Y269 VanDerWaalsContact N-OH 3.1Å; E63-Y269 PolarHBondContact OE2-OH 3.44Å; E63-Y269 VanDerWaalsContact OE2-OH 3.05Å; S98-Y269 WeakPolarHBondContact O-CE2 3.33Å; S98-Y269 VanDerWaalsContact OG-CE2 3.28Å; S98-Y269 WeakPolarHBondContact OG-CE2 3.44Å; C101-Y269 HydrophobicContact CB-CD2 4.04Å; A102-Y269 HydrophobicContact CB-CD2 4.15Å; A102-Y269 HydrophobicContact CB-CE2 3.67Å; N265-Y269 PolarHBondContact O-N 3.49Å; Y269-L271 PolarHBondContact O-N 3.39Å; Y269-Y285 HydrophobicContact CD1-CD1 4.02Å; Y269-Y285 HydrophobicContact CD1-CD2 4.13Å; Y269-Y285 AromaticContact CD1-CE1 3.66Å; Y269-Y285 HydrophobicContact CD1-CE1 3.66Å; Y269-Y285 AromaticContact CD1-CE2 3.75Å; Y269-Y285 HydrophobicContact CD1-CE2 3.75Å; Y269-Y285 HydrophobicContact CD1-CG 4.25Å; Y269-Y285 AromaticContact CD1-CZ 3.51Å; Y269-Y285 HydrophobicContact CE1-CE1 4.35Å; Y269-Y285 HydrophobicContact CG-CD2 4.47Å; Y269-Y285 HydrophobicContact CG-CE2 4.44Å; Y269-Y285 WeakPolarHBondContact O-CB 3.08Å
270N98.6Very high97.4Very high29 Ų2928.3 Ų28.316%0.15514%0.137CC..THydrogen-bonded Turntrans47.222.5-176.3-65.9-36.2000115.8N265 M268 G272 Y273 Y285N265-N270 PolarHBondContact O-N 3.04Å; M268-N270 VanDerWaalsContact C-N 3.29Å; M268-N270 PolarHBondContact O-N 3.44Å; N270-G272 PolarHBondContact O-N 3.22Å; N270-G272 VanDerWaalsContact O-N 3.1Å; N270-Y273 HydrophobicContact CB-CD2 3.74Å; N270-Y273 HydrophobicContact CB-CE2 4.19Å; N270-Y273 WeakPolarHBondContact O-CB 3.37Å; N270-Y273 WeakPolarHBondContact O-CD2 3.24Å; N270-Y273 PolarHBondContact O-N 3.1Å; N270-Y285 HydrophobicContact CB-CD2 4.22Å; N270-Y285 PolarHBondContact ND2-O 3.17Å
271L98.1Very high97.4Very high5 Ų528.5 Ų28.53%0.02614%0.139CC..THydrogen-bonded Turntrans-57.8-26.8177.9-177.561.4000111.8C101 H104 M268 Y269 Y273 H274C101-L271 HydrophobicContact CB-CD2 4.35Å; H104-L271 VanDerWaalsContact CE1-CD1 3.42Å; H104-L271 WeakPolarHBondContact CE1-CD1 3.38Å; M268-L271 HydrophobicContact CB-CB 4.27Å; M268-L271 WeakPolarHBondContact O-CB 3.39Å; M268-L271 PolarHBondContact O-N 3.3Å; Y269-L271 PolarHBondContact O-N 3.39Å; L271-Y273 PolarHBondContact O-N 3.41Å; L271-Y273 VanDerWaalsContact O-N 3.08Å; L271-H274 WeakPolarHBondContact O-CA 3.46Å; L271-H274 WeakPolarHBondContact O-CB 3.33Å; L271-H274 PolarHBondContact O-N 3.13Å
272G98.2Very high97.4Very high3 Ų331.3 Ų31.33%0.03115%0.15CC..THydrogen-bonded Turntrans-60.4-16171.900000114.6S259 Y260 N265 N270 H274S259-G272 CarbonylContact C-O 3.55Å; S259-G272 WeakPolarHBondContact CA-O 3.49Å; S259-G272 WeakPolarHBondContact CB-O 3.17Å; Y260-G272 CarbonylContact C-O 3.58Å; Y260-G272 PolarHBondContact N-O 3.16Å; Y260-G272 CarbonylContact O-C 3.57Å; Y260-G272 VanDerWaalsContact O-C 3.23Å; Y260-G272 VanDerWaalsContact O-CA 3.3Å; Y260-G272 WeakPolarHBondContact O-CA 3.11Å; Y260-G272 VanDerWaalsContact O-O 3.07Å; N265-G272 WeakPolarHBondContact OD1-CA 3.49Å; N265-G272 PolarHBondContact OD1-N 3.11Å; N270-G272 PolarHBondContact O-N 3.22Å; N270-G272 VanDerWaalsContact O-N 3.1Å; G272-H274 PolarHBondContact O-N 3.25Å
273Y98.4Very high97.4Very high43 Ų4330.2 Ų30.217%0.16914%0.139CC..  trans-77.953.5165.4-69-103.1000109.9Y261 N270 L271 E276 H277 L288 P289 K292Y261-Y273 HydrophobicContact CD1-CD1 4.14Å; Y261-Y273 AromaticContact CD1-CE1 3.91Å; Y261-Y273 HydrophobicContact CD1-CE1 3.91Å; Y261-Y273 HydrophobicContact CD1-CE2 4.4Å; Y261-Y273 HydrophobicContact CD1-CG 4.45Å; Y261-Y273 AromaticContact CE1-CD1 3.6Å; Y261-Y273 HydrophobicContact CE1-CD1 3.6Å; Y261-Y273 AromaticContact CE1-CE1 3.72Å; Y261-Y273 HydrophobicContact CE1-CE1 3.72Å; Y261-Y273 HydrophobicContact CE1-CG 4.09Å; N270-Y273 HydrophobicContact CB-CD2 3.74Å; N270-Y273 HydrophobicContact CB-CE2 4.19Å; N270-Y273 WeakPolarHBondContact O-CB 3.37Å; N270-Y273 WeakPolarHBondContact O-CD2 3.24Å; N270-Y273 PolarHBondContact O-N 3.1Å; L271-Y273 PolarHBondContact O-N 3.41Å; L271-Y273 VanDerWaalsContact O-N 3.08Å; Y273-E276 WeakPolarHBondContact CA-OE2 3.4Å; Y273-E276 HydrophobicContact CD1-CG 4.42Å; Y273-E276 WeakPolarHBondContact CD1-OE1 3.39Å; Y273-E276 WeakPolarHBondContact O-CB 3.27Å; Y273-E276 PolarHBondContact O-N 3.46Å; Y273-H277 WeakPolarHBondContact O-CB 3.34Å; Y273-H277 PolarHBondContact O-N 3.44Å; Y273-L288 HydrophobicContact CD1-CB 4.5Å; Y273-L288 HydrophobicContact CG-CB 4.12Å; Y273-P289 HydrophobicContact CE1-CB 4.09Å; Y273-P289 HydrophobicContact CE1-CG 4.18Å; Y273-P289 HydrophobicContact CE2-CG 3.9Å; Y273-K292 HydrophobicContact CD1-CB 4.17Å; Y273-K292 HydrophobicContact CD1-CD 4.26Å; Y273-K292 HydrophobicContact CE1-CB 4.08Å; Y273-K292 HydrophobicContact CE1-CD 3.84Å
274H97.5Very high97.5Very high3 Ų324 Ų241%0.01411%0.107CC..Hα-helixtrans-77.2-37.7-162.3-162.555.7000113E247 H248 T257 H258 S259 L271 G272 E276 H277 H278E247-H274 WeakPolarHBondContact CB-CD2 3.46Å; E247-H274 HydrophobicContact CG-CB 4.18Å; E247-H274 WeakPolarHBondContact CG-CD2 3.32Å; E247-H274 IonicContact OE2-CE1 3.94Å; E247-H274 IonicContact OE2-NE2 2.65Å; H248-H274 AromaticContact CD2-NE2 3.85Å; H248-H274 AromaticContact CE1-CD2 3.75Å; H248-H274 AromaticContact CE1-NE2 3.32Å; H248-H274 PolarHBondContact CE1-NE2 3Å; H248-H274 VanDerWaalsContact CE1-NE2 3.32Å; H248-H274 AromaticContact NE2-CD2 3.7Å; H248-H274 AromaticContact NE2-CE1 3.96Å; H248-H274 AromaticContact NE2-NE2 2.89Å; H248-H274 PolarHBondContact NE2-NE2 3.5Å; T257-H274 VanDerWaalsContact CG2-CD2 3.49Å; T257-H274 WeakPolarHBondContact CG2-CD2 3.41Å; H258-H274 WeakPolarHBondContact O-CB 3.38Å; S259-H274 PolarHBondContact OG-N 3.35Å; L271-H274 WeakPolarHBondContact O-CA 3.46Å; L271-H274 WeakPolarHBondContact O-CB 3.33Å; L271-H274 PolarHBondContact O-N 3.13Å; G272-H274 PolarHBondContact O-N 3.25Å; H274-E276 VanDerWaalsContact C-N 3.32Å; H274-E276 PolarHBondContact O-N 3.14Å; H274-H277 WeakPolarHBondContact O-CB 3.47Å; H274-H277 PolarHBondContact O-N 3.04Å; H274-H278 AromaticContact CD2-CD2 3.75Å; H274-H278 AromaticContact CD2-NE2 3.92Å; H274-H278 AromaticContact CE1-CD2 3.43Å; H274-H278 PolarHBondContact CE1-CD2 2.73Å; H274-H278 VanDerWaalsContact CE1-CD2 3.43Å; H274-H278 AromaticContact CE1-NE2 3.26Å; H274-H278 PolarHBondContact CE1-NE2 3.13Å; H274-H278 VanDerWaalsContact CE1-NE2 3.26Å; H274-H278 AromaticContact ND1-CD2 3.86Å; H274-H278 AromaticContact NE2-CD2 3.33Å; H274-H278 PolarHBondContact NE2-CD2 2.87Å; H274-H278 VanDerWaalsContact NE2-CD2 3.33Å; H274-H278 AromaticContact NE2-NE2 3.06Å; H274-H278 PolarHBondContact NE2-NE2 3.23Å; H274-H278 PolarHBondContact O-CD2 2.99Å; H274-H278 PolarHBondContact O-N 2.85Å
275V95.3Very high97.6Very high2 Ų224.6 Ų24.61%0.01211%0.107CC..Hα-helixtrans-60.5-47171.3177.10000109.9T257 S259 H277 H278 D279 Y299 L302T257-V275 HydrophobicContact CG2-CG2 4.01Å; T257-V275 WeakPolarHBondContact O-CG2 3.47Å; S259-V275 WeakPolarHBondContact OG-CB 3.13Å; S259-V275 WeakPolarHBondContact OG-CG2 3.06Å; S259-V275 PolarHBondContact OG-N 3.33Å; V275-H277 VanDerWaalsContact C-N 3.28Å; V275-H277 PolarHBondContact O-N 2.67Å; V275-H278 PolarHBondContact O-N 3.47Å; V275-D279 WeakPolarHBondContact O-CB 3.35Å; V275-D279 PolarHBondContact O-N 3.07Å; V275-Y299 HydrophobicContact CG1-CD1 3.92Å; V275-Y299 HydrophobicContact CG1-CE1 3.99Å; V275-L302 HydrophobicContact CG1-CD1 3.78Å
276E97.5Very high97.6Very high0 Ų026.1 Ų26.10%012%0.117CC..Hα-helixtrans-60.2-40176.3-62.390.4148.900111.7S259 Y261 Y273 H274 D279 F280 L288 L291 K292 Y299S259-E276 PolarHBondContact OG-OE2 3.41Å; Y261-E276 WeakPolarHBondContact CE1-OE1 3.41Å; Y261-E276 PolarHBondContact OH-OE1 2.83Å; Y261-E276 PolarHBondContact OH-OE2 2.83Å; Y273-E276 WeakPolarHBondContact CA-OE2 3.4Å; Y273-E276 HydrophobicContact CD1-CG 4.42Å; Y273-E276 WeakPolarHBondContact CD1-OE1 3.39Å; Y273-E276 WeakPolarHBondContact O-CB 3.27Å; Y273-E276 PolarHBondContact O-N 3.46Å; H274-E276 VanDerWaalsContact C-N 3.32Å; H274-E276 PolarHBondContact O-N 3.14Å; E276-D279 PolarHBondContact O-N 2.83Å; E276-F280 PolarHBondContact O-N 3.29Å; E276-L288 HydrophobicContact CB-CD2 4.32Å; E276-L291 HydrophobicContact CB-CD2 3.79Å; E276-L291 HydrophobicContact CB-CG 4.48Å; E276-L291 HydrophobicContact CG-CD2 4.44Å; E276-K292 HydrophobicContact CG-CB 4.24Å; E276-K292 WeakPolarHBondContact OE1-CD 3.38Å; E276-K292 WeakPolarHBondContact OE1-CG 3.44Å; E276-Y299 HydrophobicContact CB-CE1 4.34Å; E276-Y299 HydrophobicContact CG-CD1 3.9Å; E276-Y299 HydrophobicContact CG-CD2 4.04Å; E276-Y299 HydrophobicContact CG-CE1 3.69Å; E276-Y299 HydrophobicContact CG-CE2 3.82Å; E276-Y299 HydrophobicContact CG-CG 4.07Å
277H98Very high97.7Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-64.7-47.5176.9175.565.9000111.7H104 H108 H147 Y273 H274 V275 D279 F280 P281 L288H104-H277 AromaticContact CE1-CD2 3.76Å; H104-H277 AromaticContact CE1-CE1 3.37Å; H104-H277 PolarHBondContact CE1-CE1 3.48Å; H104-H277 AromaticContact CE1-ND1 3.88Å; H104-H277 AromaticContact CE1-NE2 3.3Å; H104-H277 PolarHBondContact CE1-NE2 2.86Å; H104-H277 VanDerWaalsContact CE1-NE2 3.3Å; H104-H277 AromaticContact NE2-CD2 3.63Å; H104-H277 AromaticContact NE2-CE1 3.72Å; H104-H277 AromaticContact NE2-NE2 3.16Å; H104-H277 PolarHBondContact NE2-NE2 3.25Å; H104-H277 VanDerWaalsContact NE2-NE2 3.16Å; H108-H277 AromaticContact CD2-CE1 3.44Å; H108-H277 PolarHBondContact CD2-CE1 3.33Å; H108-H277 VanDerWaalsContact CD2-CE1 3.44Å; H108-H277 AromaticContact CD2-NE2 3.76Å; H108-H277 AromaticContact CE1-NE2 3.99Å; H108-H277 AromaticContact NE2-CE1 3.3Å; H108-H277 PolarHBondContact NE2-CE1 2.9Å; H108-H277 VanDerWaalsContact NE2-CE1 3.3Å; H108-H277 AromaticContact NE2-NE2 3.15Å; H108-H277 PolarHBondContact NE2-NE2 2.84Å; H108-H277 VanDerWaalsContact NE2-NE2 3.15Å; H147-H277 AromaticContact CE1-CD2 3.54Å; H147-H277 AromaticContact CE1-NE2 3.24Å; H147-H277 PolarHBondContact CE1-NE2 3.27Å; H147-H277 AromaticContact NE2-CD2 3.79Å; H147-H277 AromaticContact NE2-NE2 3.11Å; H147-H277 PolarHBondContact NE2-NE2 3.42Å; H147-H277 VanDerWaalsContact NE2-NE2 3.11Å; Y273-H277 WeakPolarHBondContact O-CB 3.34Å; Y273-H277 PolarHBondContact O-N 3.44Å; H274-H277 WeakPolarHBondContact O-CB 3.47Å; H274-H277 PolarHBondContact O-N 3.04Å; V275-H277 VanDerWaalsContact C-N 3.28Å; V275-H277 PolarHBondContact O-N 2.67Å; H277-D279 VanDerWaalsContact C-N 3.34Å; H277-D279 PolarHBondContact O-N 2.56Å; H277-F280 CarbonylContact O-C 3.53Å; H277-F280 PolarHBondContact O-N 3.4Å; H277-P281 WeakPolarHBondContact O-CA 3.5Å; H277-P281 WeakPolarHBondContact O-CD 3.44Å; H277-L288 HydrophobicContact CB-CD1 4.22Å
278H95.7Very high97.7Very high2 Ų215.5 Ų15.51%0.0097%0.072CC..Hα-helixtrans-65.3-37.4176.4-87.5-104.2000112.7H32 R36 H146 H147 H248 H274 V275 F280H32-H278 HydrophobicContact CB-CB 4.19Å; H32-H278 WeakPolarHBondContact CB-O 3.35Å; H32-H278 WeakPolarHBondContact CD2-CB 3.42Å; H32-H278 AromaticContact CD2-CG 3.9Å; H32-H278 AromaticContact CD2-ND1 3.82Å; H32-H278 VanDerWaalsContact CE1-CB 3.46Å; H32-H278 WeakPolarHBondContact CE1-CB 3.48Å; H32-H278 VanDerWaalsContact CG-CB 3.46Å; H32-H278 WeakPolarHBondContact NE2-CB 3.26Å; H32-H278 AromaticContact NE2-CG 3.81Å; H32-H278 AromaticContact NE2-ND1 3.99Å; R36-H278 PolarHBondContact NH2-O 3.47Å; H146-H278 AromaticContact CD2-CE1 3.83Å; H146-H278 AromaticContact NE2-CE1 3.27Å; H146-H278 PolarHBondContact NE2-CE1 3.03Å; H146-H278 VanDerWaalsContact NE2-CE1 3.27Å; H146-H278 AromaticContact NE2-NE2 3.49Å; H146-H278 PolarHBondContact NE2-NE2 2.59Å; H147-H278 AromaticContact CE1-CD2 3.79Å; H147-H278 AromaticContact CE1-CE1 3.66Å; H147-H278 AromaticContact CE1-CG 3.81Å; H147-H278 AromaticContact CE1-ND1 3.74Å; H147-H278 AromaticContact CE1-NE2 3.67Å; H147-H278 AromaticContact ND1-CE1 3.62Å; H147-H278 AromaticContact ND1-CG 3.93Å; H147-H278 AromaticContact ND1-ND1 3.49Å; H147-H278 PolarHBondContact ND1-ND1 3.49Å; H248-H278 AromaticContact CE1-CE1 3.62Å; H248-H278 AromaticContact CE1-NE2 3.46Å; H248-H278 PolarHBondContact CE1-NE2 3.14Å; H248-H278 AromaticContact NE2-CE1 3.81Å; H248-H278 AromaticContact NE2-NE2 3.45Å; H248-H278 PolarHBondContact NE2-NE2 3.01Å; H274-H278 AromaticContact CD2-CD2 3.75Å; H274-H278 AromaticContact CD2-NE2 3.92Å; H274-H278 AromaticContact CE1-CD2 3.43Å; H274-H278 PolarHBondContact CE1-CD2 2.73Å; H274-H278 VanDerWaalsContact CE1-CD2 3.43Å; H274-H278 AromaticContact CE1-NE2 3.26Å; H274-H278 PolarHBondContact CE1-NE2 3.13Å; H274-H278 VanDerWaalsContact CE1-NE2 3.26Å; H274-H278 AromaticContact ND1-CD2 3.86Å; H274-H278 AromaticContact NE2-CD2 3.33Å; H274-H278 PolarHBondContact NE2-CD2 2.87Å; H274-H278 VanDerWaalsContact NE2-CD2 3.33Å; H274-H278 AromaticContact NE2-NE2 3.06Å; H274-H278 PolarHBondContact NE2-NE2 3.23Å; H274-H278 PolarHBondContact O-CD2 2.99Å; H274-H278 PolarHBondContact O-N 2.85Å; V275-H278 PolarHBondContact O-N 3.47Å; H278-F280 VanDerWaalsContact C-N 3.25Å; H278-F280 PolarHBondContact O-N 2.86Å
279D95.6Very high97.7Very high0 Ų017.1 Ų17.10%08%0.082CC..Hα-helixtrans-62.9-34.5171.2-73.3-14.8000111H32 R35 R36 V275 E276 H277 Y299H32-D279 VanDerWaalsContact CA-OD1 3.27Å; H32-D279 WeakPolarHBondContact CA-OD1 3.42Å; H32-D279 VanDerWaalsContact CB-OD1 3.25Å; H32-D279 WeakPolarHBondContact CB-OD1 3.29Å; H32-D279 IonicContact CE1-OD1 3.46Å; H32-D279 IonicContact CG-OD1 3.17Å; H32-D279 IonicContact ND1-OD1 2.97Å; H32-D279 PolarHBondContact ND1-OD1 3.41Å; R35-D279 VanDerWaalsContact CD-OD2 3.24Å; R35-D279 WeakPolarHBondContact CD-OD2 3.33Å; R35-D279 IonicContact CZ-OD1 3.61Å; R35-D279 IonicContact CZ-OD2 3.72Å; R35-D279 IonicContact NE-OD1 2.72Å; R35-D279 IonicContact NE-OD2 2.71Å; R35-D279 IonicContact NH1-OD2 3.91Å; R36-D279 WeakPolarHBondContact CB-O 3.12Å; R36-D279 WeakPolarHBondContact CG-O 3.44Å; R36-D279 PolarHBondContact NE-O 3.39Å; R36-D279 PolarHBondContact NH2-O 3.33Å; V275-D279 WeakPolarHBondContact O-CB 3.35Å; V275-D279 PolarHBondContact O-N 3.07Å; E276-D279 PolarHBondContact O-N 2.83Å; H277-D279 VanDerWaalsContact C-N 3.34Å; H277-D279 PolarHBondContact O-N 2.56Å; D279-Y299 VanDerWaalsContact OD2-CE1 3.26Å; D279-Y299 WeakPolarHBondContact OD2-CE1 3.4Å
280F97.8Very high97.7Very high3 Ų322.1 Ų22.11%0.01310%0.104CC..  trans-142.473.3-176.8-65.5-86.1000113.4R36 I39 L40 V46 M50 E276 H277 H278 Y282 I283 L291R36-F280 HydrophobicContact CB-CZ 4.27Å; R36-F280 HydrophobicContact CG-CD1 4.1Å; R36-F280 HydrophobicContact CG-CE1 3.6Å; R36-F280 HydrophobicContact CG-CE2 4.5Å; R36-F280 HydrophobicContact CG-CZ 3.82Å; I39-F280 HydrophobicContact CB-CE2 4.1Å; I39-F280 HydrophobicContact CB-CZ 3.88Å; I39-F280 HydrophobicContact CD1-CE2 3.9Å; I39-F280 HydrophobicContact CG2-CE2 3.77Å; I39-F280 HydrophobicContact CG2-CZ 3.58Å; L40-F280 HydrophobicContact CD1-CE1 4.13Å; L40-F280 HydrophobicContact CD2-CE1 3.77Å; L40-F280 HydrophobicContact CD2-CZ 4.33Å; L40-F280 HydrophobicContact CG-CE1 3.72Å; L40-F280 HydrophobicContact CG-CZ 4.06Å; V46-F280 HydrophobicContact CG1-CD1 4.02Å; V46-F280 HydrophobicContact CG1-CE1 3.64Å; V46-F280 HydrophobicContact CG1-CE2 4.32Å; V46-F280 HydrophobicContact CG1-CG 4.49Å; V46-F280 HydrophobicContact CG1-CZ 3.82Å; M50-F280 HydrophobicContact CE-CD1 3.47Å; M50-F280 VanDerWaalsContact CE-CD1 3.47Å; M50-F280 HydrophobicContact CE-CE1 3.7Å; E276-F280 PolarHBondContact O-N 3.29Å; H277-F280 CarbonylContact O-C 3.53Å; H277-F280 PolarHBondContact O-N 3.4Å; H278-F280 VanDerWaalsContact C-N 3.25Å; H278-F280 PolarHBondContact O-N 2.86Å; F280-Y282 PolarHBondContact O-N 2.97Å; F280-I283 HydrophobicContact CB-CB 4.26Å; F280-I283 HydrophobicContact CB-CD1 3.5Å; F280-I283 HydrophobicContact CB-CG1 3.84Å; F280-I283 HydrophobicContact CD1-CD1 4.04Å; F280-I283 HydrophobicContact CG-CD1 3.81Å; F280-I283 PolarHBondContact O-N 3.04Å; F280-L291 HydrophobicContact CB-CD2 3.94Å; F280-L291 HydrophobicContact CD2-CD1 3.89Å; F280-L291 HydrophobicContact CD2-CD2 3.47Å; F280-L291 VanDerWaalsContact CD2-CD2 3.47Å; F280-L291 HydrophobicContact CD2-CG 4.32Å; F280-L291 HydrophobicContact CE2-CD1 3.97Å; F280-L291 HydrophobicContact CE2-CD2 4.32Å; F280-L291 HydrophobicContact CG-CD2 3.97Å
281P96.9Very high97.8Very high13 Ų1320.7 Ų20.78%0.08410%0.096CC..THydrogen-bonded Turntrans-69.3-10.1-171.625.5-35.3000113.5H277H277-P281 WeakPolarHBondContact O-CA 3.5Å; H277-P281 WeakPolarHBondContact O-CD 3.44Å
282Y97.5Very high97.8Very high100 Ų10021.9 Ų21.939%0.39210%0.101SC..THydrogen-bonded Turntrans-101.112.2177.1-54-51.2000113.6M50 G51 L110 H114 F280M50-Y282 WeakPolarHBondContact CA-O 3.38Å; G51-Y282 PolarHBondContact N-O 3.42Å; L110-Y282 WeakPolarHBondContact CD2-O 3.35Å; H114-Y282 AromaticContact CE1-CD1 3.63Å; H114-Y282 AromaticContact CE1-CE1 3.47Å; H114-Y282 VanDerWaalsContact CE1-CE1 3.47Å; H114-Y282 WeakPolarHBondContact CE1-CE1 3.15Å; H114-Y282 AromaticContact NE2-CD1 3.5Å; H114-Y282 AromaticContact NE2-CE1 3.77Å; F280-Y282 PolarHBondContact O-N 2.97Å
283I98.5Very high97.8Very high0 Ų028.9 Ų28.90%014%0.135CC..BIsolated β-bridgetrans-95.8120.4167.6-68.5179.7000108.2V46 L49 M50 F280 K287 L288 L291V46-I283 HydrophobicContact CG1-CD1 4Å; L49-I283 HydrophobicContact CB-CD1 3.73Å; L49-I283 HydrophobicContact CB-CG1 4.01Å; L49-I283 HydrophobicContact CB-CG2 4.08Å; L49-I283 HydrophobicContact CD1-CD1 4.41Å; M50-I283 HydrophobicContact CB-CG1 4.43Å; M50-I283 HydrophobicContact CG-CD1 4.36Å; M50-I283 HydrophobicContact CG-CG1 3.84Å; F280-I283 HydrophobicContact CB-CB 4.26Å; F280-I283 HydrophobicContact CB-CD1 3.5Å; F280-I283 HydrophobicContact CB-CG1 3.84Å; F280-I283 HydrophobicContact CD1-CD1 4.04Å; F280-I283 HydrophobicContact CG-CD1 3.81Å; F280-I283 PolarHBondContact O-N 3.04Å; I283-K287 HydrophobicContact CG2-CB 3.67Å; I283-L288 HydrophobicContact CB-CD2 4.19Å; I283-L288 HydrophobicContact CG2-CD2 3.95Å; I283-L288 HydrophobicContact CG2-CG 4.47Å; I283-L291 HydrophobicContact CD1-CB 4.47Å; I283-L291 HydrophobicContact CD1-CD1 4.38Å; I283-L291 HydrophobicContact CD1-CD2 4Å
284A98.3Very high97.8Very high1 Ų128.7 Ų28.71%0.00814%0.137CC..  trans-59.3146.7177.300000112.2D53 L110 T286 K287 L288D53-A284 HydrophobicContact CB-CB 3.7Å; L110-A284 HydrophobicContact CB-CB 4.44Å; L110-A284 HydrophobicContact CD2-CB 4.39Å; A284-T286 PolarHBondContact O-N 2.97Å; A284-K287 WeakPolarHBondContact O-CB 3.34Å; A284-K287 PolarHBondContact O-N 3.17Å; A284-L288 PolarHBondContact O-N 2.94Å
285Y98.1Very high97.8Very high21 Ų2128.6 Ų28.68%0.08214%0.136CC..THydrogen-bonded Turntrans-52.4-31.8-175.881.2-78.2000115.8L56 F59 E105 Y269 N270 K287 L288 P289L56-Y285 HydrophobicContact CB-CE1 3.94Å; L56-Y285 HydrophobicContact CD1-CD1 4.49Å; L56-Y285 HydrophobicContact CD1-CE1 4.16Å; F59-Y285 WeakPolarHBondContact CD2-OH 3.22Å; E105-Y285 HydrophobicContact CG-CD1 4.46Å; E105-Y285 VanDerWaalsContact OE2-CB 3.31Å; E105-Y285 WeakPolarHBondContact OE2-CB 3.38Å; E105-Y285 PolarHBondContact OE2-N 2.77Å; Y269-Y285 HydrophobicContact CD1-CD1 4.02Å; Y269-Y285 HydrophobicContact CD1-CD2 4.13Å; Y269-Y285 AromaticContact CD1-CE1 3.66Å; Y269-Y285 HydrophobicContact CD1-CE1 3.66Å; Y269-Y285 AromaticContact CD1-CE2 3.75Å; Y269-Y285 HydrophobicContact CD1-CE2 3.75Å; Y269-Y285 HydrophobicContact CD1-CG 4.25Å; Y269-Y285 AromaticContact CD1-CZ 3.51Å; Y269-Y285 HydrophobicContact CE1-CE1 4.35Å; Y269-Y285 HydrophobicContact CG-CD2 4.47Å; Y269-Y285 HydrophobicContact CG-CE2 4.44Å; Y269-Y285 WeakPolarHBondContact O-CB 3.08Å; N270-Y285 HydrophobicContact CB-CD2 4.22Å; N270-Y285 PolarHBondContact ND2-O 3.17Å; Y285-K287 PolarHBondContact O-N 3.28Å; Y285-K287 VanDerWaalsContact O-N 3.15Å; Y285-L288 PolarHBondContact O-N 2.99Å; Y285-P289 WeakPolarHBondContact O-CD 2.97Å
286T98.3Very high97.9Very high41 Ų4131.4 Ų31.425%0.25215%0.151SC..THydrogen-bonded Turntrans-63.3-18.8178.655.50000112.9D53 K55 A284D53-T286 WeakPolarHBondContact OD2-CB 3.19Å; D53-T286 WeakPolarHBondContact OD2-CG2 3.25Å; D53-T286 PolarHBondContact OD2-OG1 3.36Å; K55-T286 HydrophobicContact CB-CG2 4.47Å; K55-T286 HydrophobicContact CD-CG2 4.41Å; A284-T286 PolarHBondContact O-N 2.97Å
287K98.6Very high97.8Very high49 Ų4935.8 Ų35.821%0.21317%0.171CC..THydrogen-bonded Turntrans-111.1-11.6-174.8-58.6171.2-169168.10113L49 G51 I283 A284 Y285 K290 L291L49-K287 HydrophobicContact CB-CB 4.4Å; L49-K287 HydrophobicContact CB-CD 4.34Å; L49-K287 HydrophobicContact CD2-CB 4.46Å; L49-K287 WeakPolarHBondContact O-CD 3.44Å; L49-K287 PolarHBondContact O-NZ 2.96Å; G51-K287 PolarHBondContact O-NZ 3.39Å; I283-K287 HydrophobicContact CG2-CB 3.67Å; A284-K287 WeakPolarHBondContact O-CB 3.34Å; A284-K287 PolarHBondContact O-N 3.17Å; Y285-K287 PolarHBondContact O-N 3.28Å; Y285-K287 VanDerWaalsContact O-N 3.15Å; K287-K290 WeakPolarHBondContact O-CA 3.41Å; K287-K290 WeakPolarHBondContact O-CB 3.49Å; K287-K290 PolarHBondContact O-N 3.34Å; K287-L291 PolarHBondContact O-N 3.24Å
288L98.7Very high97.6Very high1 Ų138 Ų381%0.00518%0.18CC..Hα-helixtrans-56.4-40.6176.2-66.1175.4000113.2Y273 E276 H277 I283 A284 Y285 K290 L291 K292Y273-L288 HydrophobicContact CD1-CB 4.5Å; Y273-L288 HydrophobicContact CG-CB 4.12Å; E276-L288 HydrophobicContact CB-CD2 4.32Å; H277-L288 HydrophobicContact CB-CD1 4.22Å; I283-L288 HydrophobicContact CB-CD2 4.19Å; I283-L288 HydrophobicContact CG2-CD2 3.95Å; I283-L288 HydrophobicContact CG2-CG 4.47Å; A284-L288 PolarHBondContact O-N 2.94Å; Y285-L288 PolarHBondContact O-N 2.99Å; L288-K290 VanDerWaalsContact C-N 3.26Å; L288-K290 PolarHBondContact O-N 3.3Å; L288-L291 HydrophobicContact CD2-CD2 4.33Å; L288-L291 WeakPolarHBondContact O-CB 3.39Å; L288-L291 PolarHBondContact O-N 3.44Å; L288-K292 PolarHBondContact O-N 3.09Å
289P98.5Very high97.5Very high33 Ų3337.9 Ų37.921%0.21418%0.18CC..Hα-helixtrans-59.8-36.2172.5-24.834.1000113.3Y273 Y285 K292 M293Y273-P289 HydrophobicContact CE1-CB 4.09Å; Y273-P289 HydrophobicContact CE1-CG 4.18Å; Y273-P289 HydrophobicContact CE2-CG 3.9Å; Y285-P289 WeakPolarHBondContact O-CD 2.97Å; P289-K292 PolarHBondContact O-N 3.44Å; P289-M293 WeakPolarHBondContact O-CG 3.27Å; P289-M293 PolarHBondContact O-N 3.1Å
290K98.7Very high97.3Very high115 Ų11542.2 Ų42.250%0.520%0.2SC..Hα-helixtrans-71.4-37.4177.2-173.7174.2174.6-170.70111.5L49 K287 L288 M293 I294L49-K290 HydrophobicContact CD1-CB 4.46Å; L49-K290 HydrophobicContact CD1-CG 4.38Å; L49-K290 HydrophobicContact CD2-CD 3.75Å; L49-K290 HydrophobicContact CD2-CG 4.21Å; K287-K290 WeakPolarHBondContact O-CA 3.41Å; K287-K290 WeakPolarHBondContact O-CB 3.49Å; K287-K290 PolarHBondContact O-N 3.34Å; L288-K290 VanDerWaalsContact C-N 3.26Å; L288-K290 PolarHBondContact O-N 3.3Å; K290-M293 PolarHBondContact O-N 2.92Å; K290-I294 HydrophobicContact CG-CD1 4.14Å; K290-I294 WeakPolarHBondContact O-CG1 3.47Å; K290-I294 PolarHBondContact O-N 3.35Å
291L98.7Very high96.8Very high0 Ų049.9 Ų49.90%024%0.236CC..Hα-helixtrans-57.4-49.8170.6168.263.8000110.5V46 L49 E276 F280 I283 K287 L288 M293 I294 A295 Y299V46-L291 HydrophobicContact CG1-CD1 3.68Å; V46-L291 HydrophobicContact CG2-CD1 3.98Å; L49-L291 HydrophobicContact CD1-CB 3.93Å; E276-L291 HydrophobicContact CB-CD2 3.79Å; E276-L291 HydrophobicContact CB-CG 4.48Å; E276-L291 HydrophobicContact CG-CD2 4.44Å; F280-L291 HydrophobicContact CB-CD2 3.94Å; F280-L291 HydrophobicContact CD2-CD1 3.89Å; F280-L291 HydrophobicContact CD2-CD2 3.47Å; F280-L291 VanDerWaalsContact CD2-CD2 3.47Å; F280-L291 HydrophobicContact CD2-CG 4.32Å; F280-L291 HydrophobicContact CE2-CD1 3.97Å; F280-L291 HydrophobicContact CE2-CD2 4.32Å; F280-L291 HydrophobicContact CG-CD2 3.97Å; I283-L291 HydrophobicContact CD1-CB 4.47Å; I283-L291 HydrophobicContact CD1-CD1 4.38Å; I283-L291 HydrophobicContact CD1-CD2 4Å; K287-L291 PolarHBondContact O-N 3.24Å; L288-L291 HydrophobicContact CD2-CD2 4.33Å; L288-L291 WeakPolarHBondContact O-CB 3.39Å; L288-L291 PolarHBondContact O-N 3.44Å; L291-M293 VanDerWaalsContact C-N 3.28Å; L291-M293 PolarHBondContact O-N 3.44Å; L291-I294 PolarHBondContact O-N 3.31Å; L291-A295 PolarHBondContact O-N 3.12Å; L291-Y299 HydrophobicContact CG-CE2 4.29Å
292K98.4Very high96.5Very high29 Ų2951 Ų5113%0.12624%0.241CC..Hα-helixtrans-55.1-45.4176.2-172.8-175.5-179.11790111.3Y261 Y273 E276 L288 P289 I294 A295 N296 Y299Y261-K292 HydrophobicContact CE1-CD 3.77Å; Y261-K292 WeakPolarHBondContact OH-CE 3.44Å; Y261-K292 PolarHBondContact OH-NZ 3.21Å; Y273-K292 HydrophobicContact CD1-CB 4.17Å; Y273-K292 HydrophobicContact CD1-CD 4.26Å; Y273-K292 HydrophobicContact CE1-CB 4.08Å; Y273-K292 HydrophobicContact CE1-CD 3.84Å; E276-K292 HydrophobicContact CG-CB 4.24Å; E276-K292 WeakPolarHBondContact OE1-CD 3.38Å; E276-K292 WeakPolarHBondContact OE1-CG 3.44Å; L288-K292 PolarHBondContact O-N 3.09Å; P289-K292 PolarHBondContact O-N 3.44Å; K292-I294 PolarHBondContact O-N 3.01Å; K292-A295 CarbonylContact O-C 3.52Å; K292-N296 WeakPolarHBondContact O-CA 3.26Å; K292-N296 VanDerWaalsContact O-CB 3.29Å; K292-N296 WeakPolarHBondContact O-CB 3.24Å; K292-N296 PolarHBondContact O-N 2.71Å; K292-Y299 HydrophobicContact CB-CD2 4.36Å; K292-Y299 HydrophobicContact CG-CD2 4.07Å; K292-Y299 HydrophobicContact CG-CG 4.48Å
293M98.5Very high96.2Very high150 Ų15048.9 Ų48.974%0.73924%0.24SC*.Hα-helixtrans-62.5-42.2179.5-71.6174.367.100113.5P289 K290 L291P289-M293 WeakPolarHBondContact O-CG 3.27Å; P289-M293 PolarHBondContact O-N 3.1Å; K290-M293 PolarHBondContact O-N 2.92Å; L291-M293 VanDerWaalsContact C-N 3.28Å; L291-M293 PolarHBondContact O-N 3.44Å
294I98.7Very high95.9Very high40 Ų4052.8 Ų52.821%0.20526%0.255CS..Hα-helixtrans-68-46.2-178.9-68.3168.6000110.7Y43 E45 V46 L49 K290 L291 K292Y43-I294 HydrophobicContact CD1-CG2 3.89Å; Y43-I294 HydrophobicContact CD2-CG2 4.44Å; Y43-I294 HydrophobicContact CG-CG2 3.79Å; E45-I294 HydrophobicContact CG-CD1 4.35Å; E45-I294 HydrophobicContact CG-CG2 4.34Å; V46-I294 HydrophobicContact CG2-CG2 3.9Å; L49-I294 HydrophobicContact CD1-CD1 4.11Å; K290-I294 HydrophobicContact CG-CD1 4.14Å; K290-I294 WeakPolarHBondContact O-CG1 3.47Å; K290-I294 PolarHBondContact O-N 3.35Å; L291-I294 PolarHBondContact O-N 3.31Å; K292-I294 PolarHBondContact O-N 3.01Å
295A97.4Very high95.8Very high0 Ų054 Ų540%026%0.26CS..THydrogen-bonded Turntrans-106.735.4-175.100000112.5I39 Y43 L291 K292 E297 Y298 Y299I39-A295 HydrophobicContact CD1-CB 4.2Å; I39-A295 HydrophobicContact CG1-CB 4.17Å; I39-A295 HydrophobicContact CG2-CB 3.91Å; Y43-A295 HydrophobicContact CD2-CB 4.05Å; Y43-A295 HydrophobicContact CE2-CB 4.19Å; L291-A295 PolarHBondContact O-N 3.12Å; K292-A295 CarbonylContact O-C 3.52Å; A295-E297 PolarHBondContact O-N 2.88Å; A295-E297 VanDerWaalsContact O-N 3.11Å; A295-Y298 HydrophobicContact CB-CD2 4.02Å; A295-Y298 WeakPolarHBondContact O-CB 3.48Å; A295-Y298 PolarHBondContact O-N 2.86Å; A295-Y299 HydrophobicContact CB-CE2 3.92Å; A295-Y299 WeakPolarHBondContact O-CD2 3.42Å
296N97Very high95.7Very high61 Ų6160 Ų6033%0.32629%0.287SS..G310 helixtrans-57.8-33.8-167.8-166.358.9000114K292 Y298 Y299 E300K292-N296 WeakPolarHBondContact O-CA 3.26Å; K292-N296 VanDerWaalsContact O-CB 3.29Å; K292-N296 WeakPolarHBondContact O-CB 3.24Å; K292-N296 PolarHBondContact O-N 2.71Å; N296-Y298 PolarHBondContact O-N 3.23Å; N296-Y299 PolarHBondContact O-N 2.99Å; N296-E300 PolarHBondContact ND2-OE2 3.29Å; N296-E300 VanDerWaalsContact O-CB 3.31Å; N296-E300 WeakPolarHBondContact O-CB 3.4Å; N296-E300 PolarHBondContact O-N 3.41Å; N296-E300 PolarHBondContact OD1-OE2 3.36Å
297E95.8Very high95.7Very high92 Ų9260.5 Ų60.543%0.4329%0.292SS..G310 helixtrans-58.2-25.3176.860178.7-155.500113.9K42 Y43 A295K42-E297 VanDerWaalsContact CD-OE1 3.32Å; K42-E297 WeakPolarHBondContact CD-OE1 3.47Å; K42-E297 VanDerWaalsContact CE-OE1 3.31Å; K42-E297 WeakPolarHBondContact CE-OE1 3.33Å; K42-E297 IonicContact NZ-OE1 2.62Å; K42-E297 PolarHBondContact NZ-OE1 3Å; K42-E297 IonicContact NZ-OE2 2.91Å; K42-E297 PolarHBondContact NZ-OE2 2.95Å; Y43-E297 PolarHBondContact OH-OE1 3.18Å; A295-E297 PolarHBondContact O-N 2.88Å; A295-E297 VanDerWaalsContact O-N 3.11Å
298Y93.5Very high95.6Very high46 Ų4658.5 Ų58.518%0.1828%0.283CS..G310 helixtrans-83.8-15.5177.6-67.5-91.6000113.2R35 E38 I39 K42 Y43 A295 N296 L302R35-Y298 HydrophobicContact CG-CD1 3.82Å; E38-Y298 HydrophobicContact CB-CE1 4.06Å; I39-Y298 HydrophobicContact CD1-CD1 4.24Å; I39-Y298 HydrophobicContact CD1-CD2 4.15Å; I39-Y298 HydrophobicContact CD1-CG 3.87Å; I39-Y298 HydrophobicContact CG1-CD1 3.91Å; I39-Y298 HydrophobicContact CG1-CD2 3.61Å; I39-Y298 HydrophobicContact CG1-CE1 4.04Å; I39-Y298 HydrophobicContact CG1-CE2 3.75Å; I39-Y298 HydrophobicContact CG1-CG 3.7Å; K42-Y298 HydrophobicContact CD-CE2 4.46Å; Y43-Y298 AromaticContact CE2-CE2 3.99Å; Y43-Y298 HydrophobicContact CE2-CE2 3.99Å; A295-Y298 HydrophobicContact CB-CD2 4.02Å; A295-Y298 WeakPolarHBondContact O-CB 3.48Å; A295-Y298 PolarHBondContact O-N 2.86Å; N296-Y298 PolarHBondContact O-N 3.23Å; Y298-L302 WeakPolarHBondContact O-CD1 3.32Å
299Y94.7Very high95.6Very high1 Ų161.8 Ų61.80%0.00431%0.306CS..THydrogen-bonded Turntrans-118.6-36.4-172.6-53.9-61.8000113.4I39 V275 E276 D279 L291 K292 A295 N296 Q301 L302I39-Y299 WeakPolarHBondContact CD1-OH 3.34Å; V275-Y299 HydrophobicContact CG1-CD1 3.92Å; V275-Y299 HydrophobicContact CG1-CE1 3.99Å; E276-Y299 HydrophobicContact CB-CE1 4.34Å; E276-Y299 HydrophobicContact CG-CD1 3.9Å; E276-Y299 HydrophobicContact CG-CD2 4.04Å; E276-Y299 HydrophobicContact CG-CE1 3.69Å; E276-Y299 HydrophobicContact CG-CE2 3.82Å; E276-Y299 HydrophobicContact CG-CG 4.07Å; D279-Y299 VanDerWaalsContact OD2-CE1 3.26Å; D279-Y299 WeakPolarHBondContact OD2-CE1 3.4Å; L291-Y299 HydrophobicContact CG-CE2 4.29Å; K292-Y299 HydrophobicContact CB-CD2 4.36Å; K292-Y299 HydrophobicContact CG-CD2 4.07Å; K292-Y299 HydrophobicContact CG-CG 4.48Å; A295-Y299 HydrophobicContact CB-CE2 3.92Å; A295-Y299 WeakPolarHBondContact O-CD2 3.42Å; N296-Y299 PolarHBondContact O-N 2.99Å; Y299-Q301 PolarHBondContact O-N 2.9Å; Y299-L302 HydrophobicContact CD1-CD1 4.49Å; Y299-L302 WeakPolarHBondContact O-CB 3.45Å; Y299-L302 PolarHBondContact O-N 3.24Å; Y299-L302 VanDerWaalsContact O-N 3.1Å
300E91.7Very high95.5Very high90 Ų9065.2 Ų65.242%0.42132%0.317SS..THydrogen-bonded Turntrans-61.8-31.2-174.5-170.867-151.300113.1N296 L302N296-E300 PolarHBondContact ND2-OE2 3.29Å; N296-E300 VanDerWaalsContact O-CB 3.31Å; N296-E300 WeakPolarHBondContact O-CB 3.4Å; N296-E300 PolarHBondContact O-N 3.41Å; N296-E300 PolarHBondContact OD1-OE2 3.36Å; E300-L302 VanDerWaalsContact C-N 3.33Å
301Q87.2Confident95.4Very high164 Ų16459.8 Ų59.877%0.76629%0.294SS*.THydrogen-bonded Turntrans-81.8-12.8-179.3-58.7-64.1-28.600113.2Y299Y299-Q301 PolarHBondContact O-N 2.9Å
302L90.3Very high95.3Very high36 Ų3660.7 Ų60.719%0.18830%0.299CS..SBendtrans-81.3139.3-176.9-59.3-177.1000110.4R35 Q255 V275 Y298 Y299 E300 Y304R35-L302 VanDerWaalsContact NH1-CD1 3.26Å; Q255-L302 VanDerWaalsContact OE1-CB 3.31Å; V275-L302 HydrophobicContact CG1-CD1 3.78Å; Y298-L302 WeakPolarHBondContact O-CD1 3.32Å; Y299-L302 HydrophobicContact CD1-CD1 4.49Å; Y299-L302 WeakPolarHBondContact O-CB 3.45Å; Y299-L302 PolarHBondContact O-N 3.24Å; Y299-L302 VanDerWaalsContact O-N 3.1Å; E300-L302 VanDerWaalsContact C-N 3.33Å; L302-Y304 WeakPolarHBondContact O-CD1 3Å; L302-Y304 PolarHBondContact O-N 2.72Å
303P90.5Very high95.2Very high57 Ų5766.5 Ų66.537%0.3732%0.32SS..  trans-50.9136.7164.9-3035.3000112.5D253 Q255D253-P303 HydrophobicContact CB-CG 4.12Å; D253-P303 WeakPolarHBondContact OD2-CB 3.42Å; Q255-P303 PolarHBondContact NE2-O 3.03Å; Q255-P303 VanDerWaalsContact NE2-O 3.13Å; Q255-P303 VanDerWaalsContact OE1-CD 3.29Å
304Y93.4Very high95.1Very high81 Ų8161.1 Ų61.132%0.31829%0.294SS..EExtended strand (participates in β ladder)trans-146.8157.9179.767.2-97.8000111.5S259 Y261 L302 K306S259-Y304 CarbonylContact O-C 3.52Å; S259-Y304 VanDerWaalsContact O-CA 3.25Å; S259-Y304 WeakPolarHBondContact O-CA 3.08Å; S259-Y304 VanDerWaalsContact O-CB 3.26Å; S259-Y304 WeakPolarHBondContact O-CB 3.31Å; Y261-Y304 HydrophobicContact CD2-CD1 4.18Å; Y261-Y304 AromaticContact CD2-CD2 3.49Å; Y261-Y304 HydrophobicContact CD2-CD2 3.49Å; Y261-Y304 VanDerWaalsContact CD2-CD2 3.49Å; Y261-Y304 AromaticContact CD2-CE2 3.94Å; Y261-Y304 HydrophobicContact CD2-CE2 3.94Å; Y261-Y304 AromaticContact CD2-CG 3.62Å; Y261-Y304 HydrophobicContact CD2-CG 3.62Å; Y261-Y304 HydrophobicContact CE2-CD1 4.07Å; Y261-Y304 HydrophobicContact CE2-CD2 4.12Å; Y261-Y304 AromaticContact CE2-CG 3.75Å; Y261-Y304 HydrophobicContact CE2-CG 3.75Å; Y261-Y304 HydrophobicContact CG-CD2 4.46Å; L302-Y304 WeakPolarHBondContact O-CD1 3Å; L302-Y304 PolarHBondContact O-N 2.72Å; Y304-K306 HydrophobicContact CD2-CG 4.16Å; Y304-K306 HydrophobicContact CE2-CD 4.14Å; Y304-K306 HydrophobicContact CE2-CG 3.69Å; Y304-K306 WeakPolarHBondContact OH-CE 3.44Å; Y304-K306 PolarHBondContact OH-NZ 2.66Å
305H95.7Very high95Very high28 Ų2859.2 Ų59.213%0.1328%0.284CS..EExtended strand (participates in β ladder)trans-94.9147.7178.4-61.4-75.5000112.2F251 S259 Y260 Y261 V311F251-H305 AromaticContact CD2-CE1 3.52Å; F251-H305 AromaticContact CD2-NE2 3.68Å; F251-H305 AromaticContact CG-CE1 3.77Å; S259-H305 PolarHBondContact O-N 2.92Å; Y260-H305 WeakPolarHBondContact CA-O 3.29Å; Y260-H305 HydrophobicContact CD2-CB 4.24Å; Y260-H305 WeakPolarHBondContact CD2-O 3.37Å; Y261-H305 PolarHBondContact N-O 2.9Å; H305-V311 HydrophobicContact CB-CG2 4.03Å
306K95.9Very high94.9Very high146 Ų14659.5 Ų59.564%0.63529%0.286SS*.SBendtrans-113.5-13.4175.3-66.4-179.3179.9177.40113.8Y260 Y304Y260-K306 WeakPolarHBondContact CE2-O 3.49Å; Y304-K306 HydrophobicContact CD2-CG 4.16Å; Y304-K306 HydrophobicContact CE2-CD 4.14Å; Y304-K306 HydrophobicContact CE2-CG 3.69Å; Y304-K306 WeakPolarHBondContact OH-CE 3.44Å; Y304-K306 PolarHBondContact OH-NZ 2.66Å
307S97.6Very high94.9Very high51 Ų5161.9 Ų61.936%0.35729%0.294SS..  trans-148.3117.7-177.6173.70000111.3C309 K310 V311S307-C309 VanDerWaalsContact C-N 3.33Å; S307-K310 WeakPolarHBondContact O-CB 3.42Å; S307-K310 PolarHBondContact O-N 2.99Å; S307-K310 PolarHBondContact OG-N 2.97Å; S307-V311 WeakPolarHBondContact O-CG2 3.23Å; S307-V311 PolarHBondContact O-N 3.1Å; S307-V311 VanDerWaalsContact O-N 3.1Å
308L97.7Very high94.8Very high7 Ų758.7 Ų58.74%0.03728%0.283CS..Hα-helixtrans-68.7-32.1175.6-59.7176.6000112P239 L240 H243 Y260 M268 K310 V311 L312P239-L308 WeakPolarHBondContact O-CB 3.44Å; L240-L308 HydrophobicContact CD2-CD1 4.44Å; H243-L308 HydrophobicContact CB-CD2 4.34Å; Y260-L308 HydrophobicContact CD1-CD1 4.4Å; Y260-L308 HydrophobicContact CD1-CD2 4.13Å; Y260-L308 HydrophobicContact CD1-CG 4.28Å; Y260-L308 HydrophobicContact CD2-CD2 3.75Å; Y260-L308 HydrophobicContact CD2-CG 3.98Å; Y260-L308 HydrophobicContact CE1-CD1 4.11Å; Y260-L308 HydrophobicContact CE1-CD2 4.48Å; Y260-L308 HydrophobicContact CE1-CG 4.12Å; Y260-L308 HydrophobicContact CE2-CD2 4.12Å; Y260-L308 HydrophobicContact CE2-CG 3.8Å; Y260-L308 HydrophobicContact CG-CD2 3.75Å; Y260-L308 HydrophobicContact CG-CG 4.21Å; M268-L308 HydrophobicContact CE-CD1 3.76Å; M268-L308 HydrophobicContact SD-CD1 3.62Å; L308-K310 VanDerWaalsContact C-N 3.26Å; L308-K310 PolarHBondContact O-N 3.49Å; L308-V311 WeakPolarHBondContact O-CB 3.31Å; L308-V311 PolarHBondContact O-N 3.23Å; L308-L312 WeakPolarHBondContact O-CG 3.1Å; L308-L312 PolarHBondContact O-N 3.19Å
309C97.7Very high94.6Very high71 Ų7161.8 Ų61.848%0.4831%0.309SS..Hα-helixtrans-62.3-36.4171.3-63.50000111.6S307 L312 W313S307-C309 VanDerWaalsContact C-N 3.33Å; C309-L312 PolarHBondContact O-N 2.84Å; C309-W313 WeakPolarHBondContact O-CB 3.47Å; C309-W313 PolarHBondContact O-N 3.17Å
310K96.8Very high94.1Very high104 Ų10468.3 Ų68.345%0.45234%0.344SS..Hα-helixtrans-69-37.6175.1-173.658162.376.20111.4S307 L308 W313 D314S307-K310 WeakPolarHBondContact O-CB 3.42Å; S307-K310 PolarHBondContact O-N 2.99Å; S307-K310 PolarHBondContact OG-N 2.97Å; L308-K310 VanDerWaalsContact C-N 3.26Å; L308-K310 PolarHBondContact O-N 3.49Å; K310-W313 WeakPolarHBondContact O-CB 3.3Å; K310-W313 PolarHBondContact O-N 2.94Å; K310-D314 IonicContact NZ-OD1 3.2Å; K310-D314 PolarHBondContact NZ-OD1 3.04Å; K310-D314 IonicContact NZ-OD2 3.54Å; K310-D314 PolarHBondContact NZ-OD2 2.83Å; K310-D314 WeakPolarHBondContact O-CB 3.38Å; K310-D314 VanDerWaalsContact O-CG 3.31Å; K310-D314 PolarHBondContact O-N 3.27Å
311V96Very high93.9Very high1 Ų164.3 Ų64.31%0.00633%0.325CS..Hα-helixtrans-58.2-49.5173171.70000110.6G242 I245 F251 H305 S307 L308 W313 D314 F315G242-V311 WeakPolarHBondContact O-CG1 3.4Å; I245-V311 HydrophobicContact CB-CG1 3.91Å; I245-V311 HydrophobicContact CG2-CG1 4.16Å; F251-V311 HydrophobicContact CE1-CG1 4.32Å; F251-V311 HydrophobicContact CE2-CG1 4.02Å; F251-V311 HydrophobicContact CZ-CB 4.42Å; F251-V311 HydrophobicContact CZ-CG1 3.54Å; H305-V311 HydrophobicContact CB-CG2 4.03Å; S307-V311 WeakPolarHBondContact O-CG2 3.23Å; S307-V311 PolarHBondContact O-N 3.1Å; S307-V311 VanDerWaalsContact O-N 3.1Å; L308-V311 WeakPolarHBondContact O-CB 3.31Å; L308-V311 PolarHBondContact O-N 3.23Å; V311-W313 VanDerWaalsContact C-N 3.35Å; V311-W313 PolarHBondContact O-N 3.04Å; V311-D314 PolarHBondContact O-N 3.2Å; V311-F315 WeakPolarHBondContact O-CB 3.28Å; V311-F315 PolarHBondContact O-N 3.02Å
312L97Very high94.2Very high19 Ų1956.5 Ų56.510%0.09929%0.289CS..Hα-helixtrans-61.8-42.2176.6-66.3172.7000112.1L178 H238 I245 L308 C309 F315 V316L178-L312 HydrophobicContact CD1-CD2 4.19Å; L178-L312 HydrophobicContact CD2-CD2 3.85Å; H238-L312 WeakPolarHBondContact O-CD1 2.79Å; I245-L312 HydrophobicContact CD1-CD2 3.91Å; L308-L312 WeakPolarHBondContact O-CG 3.1Å; L308-L312 PolarHBondContact O-N 3.19Å; C309-L312 PolarHBondContact O-N 2.84Å; L312-F315 PolarHBondContact O-N 3.12Å; L312-V316 WeakPolarHBondContact O-CG2 3.48Å; L312-V316 PolarHBondContact O-N 3.44Å
313W97.1Very high94.4Very high152 Ų15254.8 Ų54.858%0.57628%0.28SS*.Hα-helixtrans-60.5-48.6175.6178-83.2000111.8C309 K310 V311 V316 F317C309-W313 WeakPolarHBondContact O-CB 3.47Å; C309-W313 PolarHBondContact O-N 3.17Å; K310-W313 WeakPolarHBondContact O-CB 3.3Å; K310-W313 PolarHBondContact O-N 2.94Å; V311-W313 VanDerWaalsContact C-N 3.35Å; V311-W313 PolarHBondContact O-N 3.04Å; W313-V316 PolarHBondContact O-N 3.34Å; W313-F317 AromaticContact CD2-CD2 3.55Å; W313-F317 HydrophobicContact CD2-CD2 3.55Å; W313-F317 AromaticContact CD2-CE2 3.88Å; W313-F317 HydrophobicContact CD2-CE2 3.88Å; W313-F317 AromaticContact CE2-CD2 3.51Å; W313-F317 AromaticContact CE3-CD2 3.84Å; W313-F317 HydrophobicContact CE3-CD2 3.84Å; W313-F317 AromaticContact CE3-CE2 3.65Å; W313-F317 HydrophobicContact CE3-CE2 3.65Å; W313-F317 HydrophobicContact CG-CD2 4Å; W313-F317 HydrophobicContact CH2-CD2 4.09Å; W313-F317 AromaticContact CH2-CE2 3.84Å; W313-F317 HydrophobicContact CH2-CE2 3.84Å; W313-F317 HydrophobicContact CH2-CZ 4.47Å; W313-F317 AromaticContact CZ2-CD2 3.8Å; W313-F317 HydrophobicContact CZ2-CD2 3.8Å; W313-F317 HydrophobicContact CZ2-CE2 4.05Å; W313-F317 HydrophobicContact CZ2-CG 4.4Å; W313-F317 HydrophobicContact CZ3-CD2 4.1Å; W313-F317 AromaticContact CZ3-CE2 3.63Å; W313-F317 HydrophobicContact CZ3-CE2 3.63Å; W313-F317 HydrophobicContact CZ3-CZ 4.46Å; W313-F317 AromaticContact NE1-CD2 3.9Å; W313-F317 VanDerWaalsContact O-CD2 3.29Å; W313-F317 WeakPolarHBondContact O-CD2 3.36Å; W313-F317 PolarHBondContact O-N 3.41Å
314D95.8Very high94.5Very high37 Ų3752.6 Ų52.620%0.19826%0.264CS..Hα-helixtrans-68.8-35.5-178.8-72.6-19000112.1F251 K310 V311 V316 F317 A318 N321F251-D314 HydrophobicContact CD1-CB 4.12Å; F251-D314 HydrophobicContact CE1-CB 3.85Å; K310-D314 IonicContact NZ-OD1 3.2Å; K310-D314 PolarHBondContact NZ-OD1 3.04Å; K310-D314 IonicContact NZ-OD2 3.54Å; K310-D314 PolarHBondContact NZ-OD2 2.83Å; K310-D314 WeakPolarHBondContact O-CB 3.38Å; K310-D314 VanDerWaalsContact O-CG 3.31Å; K310-D314 PolarHBondContact O-N 3.27Å; V311-D314 PolarHBondContact O-N 3.2Å; D314-V316 PolarHBondContact O-N 3.49Å; D314-F317 PolarHBondContact O-N 3.13Å; D314-A318 HydrophobicContact CB-CB 4.05Å; D314-A318 WeakPolarHBondContact O-CA 3.4Å; D314-A318 WeakPolarHBondContact O-CB 3.43Å; D314-A318 PolarHBondContact O-N 3.44Å; D314-N321 PolarHBondContact O-ND2 3.23Å
315F95.7Very high94.5Very high0 Ų048.8 Ų48.80%025%0.25CC..Hα-helixtrans-54.4-45171.7-178.5-97.5000111.3R174 W177 L178 I245 Y249 V311 L312 P323R174-F315 HydrophobicContact CB-CD1 4.3Å; R174-F315 HydrophobicContact CB-CE1 4.06Å; R174-F315 WeakPolarHBondContact CD-O 3.29Å; R174-F315 PolarHBondContact NH1-O 2.83Å; W177-F315 HydrophobicContact CD2-CE1 4.23Å; W177-F315 AromaticContact CD2-CZ 3.94Å; W177-F315 HydrophobicContact CD2-CZ 3.94Å; W177-F315 AromaticContact CE3-CE1 3.48Å; W177-F315 HydrophobicContact CE3-CE1 3.48Å; W177-F315 VanDerWaalsContact CE3-CE1 3.48Å; W177-F315 HydrophobicContact CE3-CE2 4.45Å; W177-F315 AromaticContact CE3-CZ 3.35Å; W177-F315 HydrophobicContact CE3-CZ 3.35Å; W177-F315 HydrophobicContact CH2-CZ 4.07Å; W177-F315 AromaticContact CZ3-CE1 3.89Å; W177-F315 HydrophobicContact CZ3-CE1 3.89Å; W177-F315 HydrophobicContact CZ3-CE2 4.18Å; W177-F315 AromaticContact CZ3-CZ 3.46Å; W177-F315 HydrophobicContact CZ3-CZ 3.46Å; W177-F315 VanDerWaalsContact CZ3-CZ 3.46Å; L178-F315 HydrophobicContact CD1-CD1 4.23Å; L178-F315 HydrophobicContact CD2-CD1 3.68Å; L178-F315 HydrophobicContact CD2-CE1 3.78Å; L178-F315 HydrophobicContact CD2-CG 4.48Å; L178-F315 HydrophobicContact CG-CD1 3.93Å; L178-F315 HydrophobicContact CG-CE1 4.03Å; I245-F315 HydrophobicContact CD1-CB 4Å; I245-F315 HydrophobicContact CD1-CD1 4.02Å; I245-F315 HydrophobicContact CD1-CD2 3.75Å; I245-F315 HydrophobicContact CD1-CE1 4.41Å; I245-F315 HydrophobicContact CD1-CE2 4.12Å; I245-F315 HydrophobicContact CD1-CG 3.65Å; I245-F315 HydrophobicContact CD1-CZ 4.44Å; I245-F315 HydrophobicContact CG1-CD2 4.41Å; I245-F315 HydrophobicContact CG2-CB 4.34Å; I245-F315 HydrophobicContact CG2-CD2 3.52Å; I245-F315 HydrophobicContact CG2-CE2 4.12Å; I245-F315 HydrophobicContact CG2-CG 4.22Å; Y249-F315 HydrophobicContact CD1-CD2 4.47Å; Y249-F315 HydrophobicContact CD1-CE2 4.25Å; Y249-F315 HydrophobicContact CE1-CD2 4.35Å; Y249-F315 AromaticContact CE1-CE2 3.71Å; Y249-F315 HydrophobicContact CE1-CE2 3.71Å; V311-F315 WeakPolarHBondContact O-CB 3.28Å; V311-F315 PolarHBondContact O-N 3.02Å; L312-F315 PolarHBondContact O-N 3.12Å; F315-P323 HydrophobicContact CZ-CG 4.05Å
316V96.6Very high94.3Very high6 Ų647.7 Ų47.74%0.03625%0.245CC..Hα-helixtrans-74-48.3-179.81770000112.1P171 F175 L178 L312 W313 D314P171-V316 WeakPolarHBondContact CA-O 3.4Å; P171-V316 HydrophobicContact CB-CG1 4.16Å; P171-V316 WeakPolarHBondContact CB-O 3.11Å; F175-V316 HydrophobicContact CB-CG1 4.17Å; F175-V316 HydrophobicContact CB-CG2 4.25Å; F175-V316 HydrophobicContact CD2-CG2 4.46Å; L178-V316 HydrophobicContact CD1-CG2 3.56Å; L312-V316 WeakPolarHBondContact O-CG2 3.48Å; L312-V316 PolarHBondContact O-N 3.44Å; W313-V316 PolarHBondContact O-N 3.34Å; D314-V316 PolarHBondContact O-N 3.49Å
317F96.8Very high94Very high111 Ų11141 Ų4149%0.48722%0.216SC..Hα-helixtrans-108.2-21-163.8-62.7-68000115.3P171 W313 D314P171-F317 HydrophobicContact CB-CD1 4.24Å; P171-F317 HydrophobicContact CB-CE1 4.44Å; W313-F317 AromaticContact CD2-CD2 3.55Å; W313-F317 HydrophobicContact CD2-CD2 3.55Å; W313-F317 AromaticContact CD2-CE2 3.88Å; W313-F317 HydrophobicContact CD2-CE2 3.88Å; W313-F317 AromaticContact CE2-CD2 3.51Å; W313-F317 AromaticContact CE3-CD2 3.84Å; W313-F317 HydrophobicContact CE3-CD2 3.84Å; W313-F317 AromaticContact CE3-CE2 3.65Å; W313-F317 HydrophobicContact CE3-CE2 3.65Å; W313-F317 HydrophobicContact CG-CD2 4Å; W313-F317 HydrophobicContact CH2-CD2 4.09Å; W313-F317 AromaticContact CH2-CE2 3.84Å; W313-F317 HydrophobicContact CH2-CE2 3.84Å; W313-F317 HydrophobicContact CH2-CZ 4.47Å; W313-F317 AromaticContact CZ2-CD2 3.8Å; W313-F317 HydrophobicContact CZ2-CD2 3.8Å; W313-F317 HydrophobicContact CZ2-CE2 4.05Å; W313-F317 HydrophobicContact CZ2-CG 4.4Å; W313-F317 HydrophobicContact CZ3-CD2 4.1Å; W313-F317 AromaticContact CZ3-CE2 3.63Å; W313-F317 HydrophobicContact CZ3-CE2 3.63Å; W313-F317 HydrophobicContact CZ3-CZ 4.46Å; W313-F317 AromaticContact NE1-CD2 3.9Å; W313-F317 VanDerWaalsContact O-CD2 3.29Å; W313-F317 WeakPolarHBondContact O-CD2 3.36Å; W313-F317 PolarHBondContact O-N 3.41Å; D314-F317 PolarHBondContact O-N 3.13Å
318A92.8Very high93.3Very high25 Ų2538.7 Ų38.721%0.20720%0.2CC..SBendtrans-70.3141.1179.900000110.5R174 D314 N321R174-A318 PolarHBondContact NH1-O 3.4Å; D314-A318 HydrophobicContact CB-CB 4.05Å; D314-A318 WeakPolarHBondContact O-CA 3.4Å; D314-A318 WeakPolarHBondContact O-CB 3.43Å; D314-A318 PolarHBondContact O-N 3.44Å; A318-N321 HydrophobicContact CB-CB 4.22Å; A318-N321 PolarHBondContact O-N 3.15Å
319P88.9Confident92.3Very high111 Ų11139.3 Ų39.372%0.72120%0.204SC*.THydrogen-bonded Turntrans-60.3149174.927.4-34.5000110.2N321P319-N321 PolarHBondContact O-N 3.33Å
320N83.8Confident90.5Very high137 Ų13737.1 Ų37.173%0.73319%0.189SC*.THydrogen-bonded Turntrans58.110.1178.9-53.4-26.4000116.4
321N89.3Confident88.7Confident7 Ų734.7 Ų34.74%0.03718%0.18CC..  trans-90.2-175.5173.3-146.8-33.3000112.2R174 F251 D314 A318 P319 Q324R174-N321 VanDerWaalsContact CZ-C 3.47Å; R174-N321 PolarHBondContact NE-O 3.22Å; R174-N321 VanDerWaalsContact NE-O 3.1Å; R174-N321 PolarHBondContact NH1-O 3.37Å; R174-N321 VanDerWaalsContact NH1-O 3.13Å; R174-N321 PolarHBondContact NH2-O 3.31Å; F251-N321 WeakPolarHBondContact CD1-ND2 3.33Å; F251-N321 WeakPolarHBondContact CE1-ND2 3.3Å; D314-N321 PolarHBondContact O-ND2 3.23Å; A318-N321 HydrophobicContact CB-CB 4.22Å; A318-N321 PolarHBondContact O-N 3.15Å; P319-N321 PolarHBondContact O-N 3.33Å; N321-Q324 PolarHBondContact O-NE2 2.84Å; N321-Q324 PolarHBondContact O-OE1 2.87Å
322G93Very high86.7Confident0 Ų035 Ų350%018%0.182CC..SBendtrans106.5-176-172.800000111.7Y249 Q324 A325Y249-G322 VanDerWaalsContact CE1-O 3.26Å; Y249-G322 WeakPolarHBondContact CE1-O 3.41Å; G322-Q324 VanDerWaalsContact CA-OE1 3.31Å; G322-Q324 PolarHBondContact O-N 3.03Å; G322-A325 WeakPolarHBondContact O-CB 3Å; G322-A325 PolarHBondContact O-N 3.02Å
323P94.7Very high84.7Confident0 Ų038 Ų380%020%0.197CC..G310 helixtrans-53.6-27.8-178-27.938.3000113.8P160 E164 V165 F168 W177 F315 A325 H326P160-P323 HydrophobicContact CB-CB 4Å; P160-P323 HydrophobicContact CG-CB 4.1Å; E164-P323 HydrophobicContact CB-CB 4.42Å; V165-P323 HydrophobicContact CG2-CB 4.48Å; F168-P323 HydrophobicContact CB-CG 3.95Å; F168-P323 WeakPolarHBondContact O-CD 3.46Å; W177-P323 HydrophobicContact CD2-CG 3.97Å; W177-P323 HydrophobicContact CG-CG 4Å; W177-P323 HydrophobicContact CZ2-CB 4.49Å; W177-P323 HydrophobicContact CZ2-CG 4.12Å; F315-P323 HydrophobicContact CZ-CG 4.05Å; P323-A325 VanDerWaalsContact C-N 3.27Å; P323-A325 PolarHBondContact O-N 3.28Å; P323-H326 WeakPolarHBondContact O-CB 3.26Å; P323-H326 PolarHBondContact O-N 3.31Å
324Q92.1Very high82.6Confident10 Ų1035 Ų355%0.04720%0.199CC..G310 helixtrans-72.6-14.3178.977.6-84.622.100114.9Y14 L15 V165 N321 G322 H326Y14-Q324 PolarHBondContact N-O 3.18Å; Y14-Q324 VanDerWaalsContact N-O 3.13Å; L15-Q324 HydrophobicContact CB-CB 3.99Å; L15-Q324 HydrophobicContact CB-CG 4.13Å; L15-Q324 HydrophobicContact CD2-CG 4.29Å; L15-Q324 PolarHBondContact N-O 2.92Å; V165-Q324 HydrophobicContact CB-CB 4.32Å; V165-Q324 HydrophobicContact CG1-CB 3.45Å; V165-Q324 VanDerWaalsContact CG1-CB 3.45Å; N321-Q324 PolarHBondContact O-NE2 2.84Å; N321-Q324 PolarHBondContact O-OE1 2.87Å; G322-Q324 VanDerWaalsContact CA-OE1 3.31Å; G322-Q324 PolarHBondContact O-N 3.03Å; Q324-H326 VanDerWaalsContact C-N 3.33Å
325A92.5Very high80.7Confident1 Ų137.9 Ų37.91%0.00821%0.21CC..G310 helixtrans-87.6-0.5175.400000113.4Y249 L250 G322 P323 C327Y249-A325 HydrophobicContact CD1-CB 4.15Å; L250-A325 PolarHBondContact N-O 3.06Å; G322-A325 WeakPolarHBondContact O-CB 3Å; G322-A325 PolarHBondContact O-N 3.02Å; P323-A325 VanDerWaalsContact C-N 3.27Å; P323-A325 PolarHBondContact O-N 3.28Å; A325-C327 PolarHBondContact O-N 2.97Å
326H93Very high78.8Confident6 Ų640.9 Ų40.93%0.02823%0.23CC..BIsolated β-bridgetrans-57.5138.8172.1-161.4-66.2000109.8Y14 M159 P160 Y249 P323 Q324 V328Y14-H326 PolarHBondContact N-O 3.04Å; M159-H326 HydrophobicContact CE-CB 4.39Å; M159-H326 PolarHBondContact SD-CE1 3.36Å; M159-H326 PolarHBondContact SD-ND1 2.99Å; P160-H326 HydrophobicContact CG-CB 4.18Å; Y249-H326 HydrophobicContact CD1-CB 4.22Å; Y249-H326 HydrophobicContact CD2-CB 4.48Å; Y249-H326 AromaticContact CD2-CD2 3.79Å; Y249-H326 HydrophobicContact CE1-CB 3.92Å; Y249-H326 HydrophobicContact CE2-CB 4.27Å; Y249-H326 AromaticContact CE2-CD2 3.24Å; Y249-H326 WeakPolarHBondContact CE2-CD2 3.33Å; Y249-H326 HydrophobicContact CG-CB 4.48Å; Y249-H326 AromaticContact CZ-CD2 3.58Å; P323-H326 WeakPolarHBondContact O-CB 3.26Å; P323-H326 PolarHBondContact O-N 3.31Å; Q324-H326 VanDerWaalsContact C-N 3.33Å; H326-V328 PolarHBondContact O-N 2.79Å
327C88.9Confident77Confident4 Ų446.2 Ų46.23%0.02725%0.254CS..EExtended strand (participates in β ladder)trans-64.7131.4174.4178.70000110.1G11 V12 M159 H248 L250 A256 A325G11-C327 VanDerWaalsContact CA-SG 3.59Å; V12-C327 WeakPolarHBondContact O-CA 3.4Å; M159-C327 VanDerWaalsContact SD-O 3.41Å; H248-C327 VanDerWaalsContact O-CB 3.23Å; H248-C327 WeakPolarHBondContact O-CB 3.46Å; H248-C327 PolarHBondContact O-N 3.19Å; L250-C327 HydrophobicContact CD1-CB 4.38Å; L250-C327 HydrophobicContact CD2-CB 3.86Å; L250-C327 HydrophobicContact CG-CB 3.95Å; A256-C327 VanDerWaalsContact CA-SG 3.55Å; A256-C327 VanDerWaalsContact CB-SG 3.52Å; A325-C327 PolarHBondContact O-N 2.97Å
328V83.1Confident75.1Confident4 Ų443.8 Ų43.82%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-114.2137.2167.41770000109.2V12 Y14 R17 G151 M159 H326V12-V328 PolarHBondContact N-O 2.78Å; V12-V328 PolarHBondContact O-N 3.14Å; Y14-V328 HydrophobicContact CD1-CG2 4.22Å; Y14-V328 HydrophobicContact CD2-CG2 3.48Å; Y14-V328 VanDerWaalsContact CD2-CG2 3.48Å; Y14-V328 HydrophobicContact CE2-CG2 4.21Å; Y14-V328 HydrophobicContact CG-CG2 3.49Å; Y14-V328 VanDerWaalsContact CG-CG2 3.49Å; R17-V328 HydrophobicContact CB-CB 4.3Å; R17-V328 HydrophobicContact CB-CG1 4.24Å; R17-V328 HydrophobicContact CG-CB 4.45Å; R17-V328 HydrophobicContact CG-CG1 3.86Å; G151-V328 WeakPolarHBondContact O-CA 3.4Å; M159-V328 HydrophobicContact CE-CG2 3.37Å; M159-V328 HydrophobicContact SD-CG2 4.43Å; H326-V328 PolarHBondContact O-N 2.79Å
329T75.8Confident73.4Confident20 Ų2043.9 Ų43.912%0.12324%0.241CC..PPolyproline II helixtrans-103155.7171.360.90000110.1Y27 L150 G151 H152Y27-T329 HydrophobicContact CE2-CG2 4.32Å; L150-T329 VanDerWaalsContact O-CG2 3.27Å; L150-T329 WeakPolarHBondContact O-CG2 3.43Å; L150-T329 PolarHBondContact O-OG1 2.56Å; G151-T329 PolarHBondContact O-N 3.31Å; G151-T329 VanDerWaalsContact O-N 3.14Å; H152-T329 PolarHBondContact N-OG1 2.81Å
330S61.4Low71.6Confident24 Ų2445.1 Ų45.117%0.16824%0.235CC..PPolyproline II helixtrans-71.5170.6177.133.30000112.4W25 I26 Y27W25-S330 WeakPolarHBondContact O-CB 3.5Å; I26-S330 WeakPolarHBondContact O-CB 2.92Å; I26-S330 PolarHBondContact O-OG 3.12Å; Y27-S330 WeakPolarHBondContact CA-OG 3.44Å; Y27-S330 WeakPolarHBondContact CB-O 3.38Å; Y27-S330 WeakPolarHBondContact CD2-O 3.46Å; Y27-S330 PolarHBondContact N-OG 3.01Å
331Q58.8Low70Confident54 Ų5446 Ų4625%0.25224%0.239SC..BIsolated β-bridgetrans-90.5142.3169.9-66.7-176.4300110.5W25 Y27 L333W25-Q331 PolarHBondContact O-N 3.16Å; W25-Q331 VanDerWaalsContact O-O 3.11Å; Y27-Q331 VanDerWaalsContact CB-O 3.31Å; Y27-Q331 WeakPolarHBondContact CB-O 3.35Å; Y27-Q331 PolarHBondContact N-O 3.01Å; Q331-L333 HydrophobicContact CB-CD2 4.15Å; Q331-L333 HydrophobicContact CB-CG 4.5Å; Q331-L333 PolarHBondContact O-N 3.31Å
332D54.5Low68.1Low8 Ų847.4 Ų47.44%0.04325%0.246CC..  trans-79.177.9173.7-173.2-7.2000109.1Y27 S334 K335 Y339Y27-D332 VanDerWaalsContact CB-N 3.32Å; Y27-D332 HydrophobicContact CD1-CB 3.9Å; Y27-D332 HydrophobicContact CG-CB 4.4Å; D332-S334 PolarHBondContact O-N 3.05Å; D332-S334 WeakPolarHBondContact OD1-CA 3.24Å; D332-S334 VanDerWaalsContact OD1-CB 3.26Å; D332-S334 WeakPolarHBondContact OD1-CB 3.5Å; D332-S334 PolarHBondContact OD1-N 2.89Å; D332-S334 PolarHBondContact OD1-OG 3.4Å; D332-K335 PolarHBondContact O-N 3.35Å; D332-K335 PolarHBondContact OD1-N 3.13Å; D332-K335 IonicContact OD2-NZ 2.83Å; D332-K335 PolarHBondContact OD2-NZ 3.16Å; D332-Y339 HydrophobicContact CB-CE2 4.37Å; D332-Y339 PolarHBondContact N-OH 2.97Å; D332-Y339 WeakPolarHBondContact O-CE2 3.42Å
333L54.6Low65.7Low82 Ų8258 Ų5843%0.42929%0.287SS..THydrogen-bonded Turntrans-61.4-14.7176.8-60.9-178.9000112.5E24 Q331 K335E24-L333 HydrophobicContact CG-CD1 3.82Å; Q331-L333 HydrophobicContact CB-CD2 4.15Å; Q331-L333 HydrophobicContact CB-CG 4.5Å; Q331-L333 PolarHBondContact O-N 3.31Å; L333-K335 VanDerWaalsContact C-N 3.3Å
334S51.9Low63.2Low87 Ų8760 Ų6061%0.60830%0.298SS*.THydrogen-bonded Turntrans-75-19.7175.285.50000113D332 P336D332-S334 PolarHBondContact O-N 3.05Å; D332-S334 WeakPolarHBondContact OD1-CA 3.24Å; D332-S334 VanDerWaalsContact OD1-CB 3.26Å; D332-S334 WeakPolarHBondContact OD1-CB 3.5Å; D332-S334 PolarHBondContact OD1-N 2.89Å; D332-S334 PolarHBondContact OD1-OG 3.4Å; S334-P336 VanDerWaalsContact C-CD 3.46Å
335K56.6Low60.6Low98 Ų9861 Ų6143%0.42631%0.306SS..  trans-127.360.6-179.6-58.7-172.1-157.790.20111.9D332 L333 E337 I338D332-K335 PolarHBondContact O-N 3.35Å; D332-K335 PolarHBondContact OD1-N 3.13Å; D332-K335 IonicContact OD2-NZ 2.83Å; D332-K335 PolarHBondContact OD2-NZ 3.16Å; L333-K335 VanDerWaalsContact C-N 3.3Å; K335-E337 PolarHBondContact O-N 3.35Å; K335-I338 HydrophobicContact CB-CB 4.48Å; K335-I338 HydrophobicContact CB-CD1 3.46Å; K335-I338 VanDerWaalsContact CB-CD1 3.46Å; K335-I338 HydrophobicContact CB-CG1 3.81Å; K335-I338 HydrophobicContact CD-CD1 3.55Å; K335-I338 HydrophobicContact CG-CD1 4.13Å; K335-I338 VanDerWaalsContact O-CB 3.23Å; K335-I338 WeakPolarHBondContact O-CB 3.47Å; K335-I338 PolarHBondContact O-N 3.11Å
336P55.9Low58.1Low64 Ų6465.1 Ų65.142%0.41633%0.334SS..THydrogen-bonded Turntrans-58.8-27.5-176.925.7-34.7000113S334 I338 Y339 K340S334-P336 VanDerWaalsContact C-CD 3.46Å; P336-I338 PolarHBondContact O-N 3.23Å; P336-Y339 PolarHBondContact O-N 3.04Å; P336-K340 PolarHBondContact O-N 3.26Å
337E59.5Low55.5Low118 Ų11870.7 Ų70.755%0.55137%0.365SS*.Hα-helixtrans-53.2-33.8175.1-46.1-60.1149.100113K335 Y339 K340K335-E337 PolarHBondContact O-N 3.35Å; E337-Y339 PolarHBondContact O-N 2.97Å; E337-K340 PolarHBondContact O-N 2.71Å; E337-K340 IonicContact OE1-NZ 3.66Å; E337-K340 PolarHBondContact OE1-NZ 2.97Å; E337-K340 WeakPolarHBondContact OE2-CD 3.47Å; E337-K340 WeakPolarHBondContact OE2-CE 3.31Å; E337-K340 IonicContact OE2-NZ 3.54Å; E337-K340 PolarHBondContact OE2-NZ 3.03Å
338I56.3Low53.1Low60 Ų6073.7 Ų73.731%0.30838%0.38SS..Hα-helixtrans-64-30-179-68.5-175.4000111.2W149 K335 P336W149-I338 HydrophobicContact CH2-CG2 3.19Å; W149-I338 HydrophobicContact CZ2-CG2 4.19Å; W149-I338 HydrophobicContact CZ3-CG2 3.82Å; K335-I338 HydrophobicContact CB-CB 4.48Å; K335-I338 HydrophobicContact CB-CD1 3.46Å; K335-I338 VanDerWaalsContact CB-CD1 3.46Å; K335-I338 HydrophobicContact CB-CG1 3.81Å; K335-I338 HydrophobicContact CD-CD1 3.55Å; K335-I338 HydrophobicContact CG-CD1 4.13Å; K335-I338 VanDerWaalsContact O-CB 3.23Å; K335-I338 WeakPolarHBondContact O-CB 3.47Å; K335-I338 PolarHBondContact O-N 3.11Å; P336-I338 PolarHBondContact O-N 3.23Å
339Y55.8Low50.9Low27 Ų2779.4 Ų79.411%0.10641%0.408CS..Hα-helixtrans-93.2-20.7-179.1-54.2-77.4000113.1W149 H152 D332 P336 E337 N341 Q342W149-Y339 HydrophobicContact CE3-CE1 4.38Å; W149-Y339 AromaticContact CZ3-CE1 3.98Å; W149-Y339 HydrophobicContact CZ3-CE1 3.98Å; H152-Y339 AromaticContact CD2-CE1 3.87Å; H152-Y339 AromaticContact NE2-CE1 3.57Å; D332-Y339 HydrophobicContact CB-CE2 4.37Å; D332-Y339 PolarHBondContact N-OH 2.97Å; D332-Y339 WeakPolarHBondContact O-CE2 3.42Å; P336-Y339 PolarHBondContact O-N 3.04Å; E337-Y339 PolarHBondContact O-N 2.97Å; Y339-N341 PolarHBondContact O-N 3.22Å; Y339-N341 VanDerWaalsContact O-N 3.12Å; Y339-Q342 PolarHBondContact O-N 3.01Å
340K51.5Low48.9Very low137 Ų13786.4 Ų86.460%0.59644%0.437SS*.Hα-helixtrans-59-27.5-176.6-75.9-176.5-172.1163.80114.3P336 E337P336-K340 PolarHBondContact O-N 3.26Å; E337-K340 PolarHBondContact O-N 2.71Å; E337-K340 IonicContact OE1-NZ 3.66Å; E337-K340 PolarHBondContact OE1-NZ 2.97Å; E337-K340 WeakPolarHBondContact OE2-CD 3.47Å; E337-K340 WeakPolarHBondContact OE2-CE 3.31Å; E337-K340 IonicContact OE2-NZ 3.54Å; E337-K340 PolarHBondContact OE2-NZ 3.03Å
341N50Low47.7Very low155 Ų15589 Ų8983%0.82945%0.454SS*.THydrogen-bonded Turntrans-91.82.9179.6-78.7-26.8000114Y339Y339-N341 PolarHBondContact O-N 3.22Å; Y339-N341 VanDerWaalsContact O-N 3.12Å
342Q49.7Very low46.6Very low37 Ų3790.2 Ų90.217%0.17347%0.465CS..SBendtrans-98.4123176-67.5-179.5-35.100108Y339 L344Y339-Q342 PolarHBondContact O-N 3.01Å; Q342-L344 HydrophobicContact CB-CD1 4.4Å; Q342-L344 HydrophobicContact CB-CG 3.95Å; Q342-L344 PolarHBondContact O-N 3.36Å
343Y42.2Very low45.9Very low222 Ų22295.1 Ų95.187%0.87149%0.488SS*.  trans-66.468.5163.1-81.2-96.7000107.8S345Y343-S345 PolarHBondContact O-N 2.53Å
344L42.4Very low45.1Very low42 Ų4294.4 Ų94.422%0.2249%0.489CS..  trans-62.9133170.8-74.4162.8000106.6D154 Q342 S346D154-L344 HydrophobicContact CB-CD2 3.53Å; Q342-L344 HydrophobicContact CB-CD1 4.4Å; Q342-L344 HydrophobicContact CB-CG 3.95Å; Q342-L344 PolarHBondContact O-N 3.36Å; L344-S346 PolarHBondContact O-N 3.05Å
345S38.3Very low44.5Very low32 Ų3294.5 Ų94.522%0.22449%0.486CS..  trans-49.7139.6-178.289.40000109.4Y343 N347 L348Y343-S345 PolarHBondContact O-N 2.53Å; S345-N347 PolarHBondContact O-N 2.86Å; S345-L348 PolarHBondContact O-N 3.37Å
346S39.2Very low43.7Very low86 Ų8695.5 Ų95.560%0.60150%0.496SS*.THydrogen-bonded Turntrans-571.7-171.451.20000116.1L344 L348L344-S346 PolarHBondContact O-N 3.05Å; S346-L348 VanDerWaalsContact C-N 3.32Å; S346-L348 PolarHBondContact O-N 2.72Å
347N39.9Very low43Very low124 Ų124101.8 Ų101.866%0.66351%0.511SS*.THydrogen-bonded Turntrans-67.3-30.9177.3-70.9-21.8000112.4S345S345-N347 PolarHBondContact O-N 2.86Å
348L37.6Very low42.1Very low67 Ų67100.9 Ų100.935%0.35151%0.514SS..THydrogen-bonded Turntrans-90.1-22.6177.3-102.5147.5000114.7D154 S345 S346 K350 C351 T352D154-L348 WeakPolarHBondContact OD2-CD1 3.32Å; S345-L348 PolarHBondContact O-N 3.37Å; S346-L348 VanDerWaalsContact C-N 3.32Å; S346-L348 PolarHBondContact O-N 2.72Å; L348-K350 PolarHBondContact O-N 3.07Å; L348-C351 PolarHBondContact O-N 2.91Å; L348-C351 VanDerWaalsContact O-N 3.09Å; L348-T352 PolarHBondContact O-N 3.42Å; L348-T352 PolarHBondContact O-OG1 2.96Å
349M36.4Very low41.1Very low124 Ų124102 Ų10261%0.61153%0.527SS*.Hα-helixtrans-60.8-27.4169.7-90.8-97.8-164.800112C351 E353M349-C351 VanDerWaalsContact C-N 3.32Å; M349-C351 PolarHBondContact O-N 2.79Å; M349-E353 PolarHBondContact O-N 2.95Å; M349-E353 VanDerWaalsContact O-N 3.1Å
350K35.3Very low40.4Very low167 Ų167109.5 Ų109.573%0.72656%0.56SS**Hα-helixtrans-66-32.3174.3-80.3-174.6177.5176.60113.2L348L348-K350 PolarHBondContact O-N 3.07Å
351C34.9Very low39.6Very low79 Ų79108 Ų10853%0.53457%0.567SS.*Hα-helixtrans-77-44.6176.4-85.40000111.7L348 M349 E353 S354 T355L348-C351 PolarHBondContact O-N 2.91Å; L348-C351 VanDerWaalsContact O-N 3.09Å; M349-C351 VanDerWaalsContact C-N 3.32Å; M349-C351 PolarHBondContact O-N 2.79Å; C351-E353 PolarHBondContact O-N 2.92Å; C351-S354 PolarHBondContact O-N 3.41Å; C351-S354 VanDerWaalsContact O-N 3.17Å; C351-S354 PolarHBondContact O-OG 3.29Å; C351-T355 PolarHBondContact O-N 2.97Å; C351-T355 PolarHBondContact O-OG1 2.97Å
352T36.8Very low38.7Very low78 Ų78103.5 Ų103.548%0.47956%0.557SS.*Hα-helixtrans-69.1-32.3-177.841.30000113.7L348 L356L348-T352 PolarHBondContact O-N 3.42Å; L348-T352 PolarHBondContact O-OG1 2.96Å; T352-L356 WeakPolarHBondContact O-CG 3.27Å; T352-L356 PolarHBondContact O-N 3.38Å; T352-L356 VanDerWaalsContact O-N 3.15Å
353E38.3Very low37.9Very low111 Ų111110.9 Ų110.952%0.51959%0.592SS.*Hα-helixtrans-70.4-30.8172.1-75.4-164.7164.400113.1M349 C351 L356 R357M349-E353 PolarHBondContact O-N 2.95Å; M349-E353 VanDerWaalsContact O-N 3.1Å; C351-E353 PolarHBondContact O-N 2.92Å; E353-L356 PolarHBondContact O-N 3.14Å; E353-R357 PolarHBondContact O-N 2.76Å; E353-R357 VanDerWaalsContact O-N 3.13Å
354S37.8Very low37.4Very low67 Ų67105.9 Ų105.947%0.46959%0.589SS.*Hα-helixtrans-66.6-39.5176.981.10000111.6C351 R357 T358C351-S354 PolarHBondContact O-N 3.41Å; C351-S354 VanDerWaalsContact O-N 3.17Å; C351-S354 PolarHBondContact O-OG 3.29Å; S354-R357 PolarHBondContact O-N 2.91Å; S354-T358 PolarHBondContact O-N 2.62Å
355T39.7Very low36.9Very low89 Ų89113.2 Ų113.255%0.54662%0.619SS.*Hα-helixtrans-74-29.9178.2-28.60000112.3C351 T358C351-T355 PolarHBondContact O-N 2.97Å; C351-T355 PolarHBondContact O-OG1 2.97Å; T355-T358 PolarHBondContact O-OG1 3.43Å; T355-T358 VanDerWaalsContact O-OG1 3.12Å
356L39.6Very low36.6Very low119 Ų119121.2 Ų121.262%0.62365%0.65SS**Hα-helixtrans-75.5-25175.3-75.8168.4000113.2T352 E353 S359T352-L356 WeakPolarHBondContact O-CG 3.27Å; T352-L356 PolarHBondContact O-N 3.38Å; T352-L356 VanDerWaalsContact O-N 3.15Å; E353-L356 PolarHBondContact O-N 3.14Å; L356-S359 PolarHBondContact O-OG 3.12Å
357R42Very low36.3Very low197 Ų197122.9 Ų122.974%0.74366%0.659SS**Hα-helixtrans-77.2-30.3174.9-75.6-174.6-176.3-161.53.1113.2E353 S354E353-R357 PolarHBondContact O-N 2.76Å; E353-R357 VanDerWaalsContact O-N 3.13Å; S354-R357 PolarHBondContact O-N 2.91Å
358T39.7Very low36Very low99 Ų99126.2 Ų126.261%0.60767%0.67SS**Hα-helixtrans-77.3-23.4179.5530000113.3S354 T355S354-T358 PolarHBondContact O-N 2.62Å; T355-T358 PolarHBondContact O-OG1 3.43Å; T355-T358 VanDerWaalsContact O-OG1 3.12Å
359S36.6Very low35.9Very low83 Ų83130.8 Ų130.858%0.5869%0.694SS**THydrogen-bonded Turntrans-77.7-16.8178.464.10000114.7L356L356-S359 PolarHBondContact O-OG 3.12Å
360K39.6Very low35.8Very low184 Ų184134.4 Ų134.480%0.871%0.706SS**THydrogen-bonded Turntrans-88.4-12.8-179.6-78.9-170.9177.3179.20115.4
361S35Very low35.8Very low106 Ų106136.2 Ų136.274%0.74171%0.714SS**SBendtrans-91.20.5179.656.90000114.6
362G31.3Very low35.9Very low60 Ų60142.3 Ų142.362%0.61973%0.731SS**  trans-104.145.3-174.900000115.3S364G362-S364 PolarHBondContact O-N 2.89Å
363Q32.8Very low35.9Very low193 Ų193151.5 Ų151.590%0.90277%0.769SS**  trans-73.181.8167.9-79.7-173.2-14.500109.9
364S32.3Very low35.7Very low116 Ų116153.6 Ų153.681%0.81178%0.781SS**PPolyproline II helixtrans-74.8136.31731760000111.3G362G362-S364 PolarHBondContact O-N 2.89Å
365K31.6Very low35.6Very low196 Ų196158.1 Ų158.185%0.85280%0.798SS**PPolyproline II helixtrans-62.8136.7-174.8-71.5175.9175178.40112.4
366K32Very low35.4Very low200 Ų200161.9 Ų161.987%0.8781%0.812SS**PPolyproline II helixtrans-61.6142.6174.1-82.4-179.1173.8179.10111.9
367P33Very low35.2Very low121 Ų121164.5 Ų164.579%0.78682%0.823SS**PPolyproline II helixtrans-83134.7178.52.216.3000112
368E33.5Very low34.7Very low194 Ų194162.4 Ų162.491%0.90783%0.828SS**PPolyproline II helixtrans-73.8128.2171.3-83.1179.9147.200111.7
369I35.7Very low34.4Very low164 Ų164166.7 Ų166.784%0.84184%0.842SS**  trans-85.2110.9177.4-61.7170000108.5K371I369-K371 PolarHBondContact O-N 3.45Å
370K34.6Very low34.2Very low200 Ų200172.6 Ų172.687%0.8786%0.861SS**PPolyproline II helixtrans-72.8119.5173.2-78.1-174.9174.9-177.30110.7
371K34.7Very low33.8Very low205 Ų205171.8 Ų171.889%0.89187%0.866SS**PPolyproline II helixtrans-68.4128.8167.2-73.4179.3176179.80109.3I369I369-K371 PolarHBondContact O-N 3.45Å
372K37.2Very low33.7Very low206 Ų206177.3 Ų177.390%0.89688%0.876SS**PPolyproline II helixtrans-84131.5165.4-77-178.8173.6-178.60108.2
373E36.2Very low34Very low272 Ų272187.9 Ų187.9100%1.27190%0.9SS**  trans-65.20163.9-74.4178.2151.100111.6

Retrieved 373 of 373 residues in 196.1 ms (Link to these results)

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