A0A077ZJA2_TRITR Loading...

glutamine--tRNA ligase

AlphaFold DB (P00962), UniProt , Accession A0A077ZJA2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 554 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
1M32.6Very low60.7Low243 Ų243107.9 Ų107.9100%1.19760%0.601SS**  0109.20-67.4179.8-60.500105.4
2S33.2Very low63.6Low102 Ų10298.9 Ų98.971%0.71355%0.551SS**  trans-61.7139.5-174.147.50000110.3A4S2-A4 PolarHBondContact O-N 3.12Å
3E38.3Very low66.1Low174 Ų17492.4 Ų92.481%0.81351%0.513SS*.SBendtrans-52.88174.9-75-178.9155.500115.8E5E3-E5 PolarHBondContact O-N 2.88Å
4A43.1Very low68.2Low73 Ų7392.9 Ų92.960%0.60351%0.509SS*.  trans-71.645.8164.300000111.4S2 A6S2-A4 PolarHBondContact O-N 3.12Å; A4-A6 PolarHBondContact O-N 3.14Å; A4-A6 VanDerWaalsContact O-N 3.09Å
5E44.6Very low70.1Confident177 Ų17789.1 Ų89.183%0.82749%0.487SS*.  trans-55.7116.1168.3-87-171.2152.100109E3 R7E3-E5 PolarHBondContact O-N 2.88Å; E5-R7 VanDerWaalsContact C-N 3.25Å; E5-R7 PolarHBondContact O-N 2.97Å
6A59.2Low71.8Confident96 Ų9683.5 Ų83.579%0.79346%0.457SS*.  trans16.652.5163.600000117.9A4A4-A6 PolarHBondContact O-N 3.14Å; A4-A6 VanDerWaalsContact O-N 3.09Å
7R71.8Confident73.2Confident100 Ų10081.4 Ų81.438%0.37745%0.445SS..PPolyproline II helixtrans-61.9128.3169.263.7-175.2178.1169.73.7108.3E5 T9 D17 Y58E5-R7 VanDerWaalsContact C-N 3.25Å; E5-R7 PolarHBondContact O-N 2.97Å; R7-T9 PolarHBondContact O-N 3.49Å; R7-T9 VanDerWaalsContact O-N 3.16Å; R7-D17 IonicContact CZ-OD1 3.76Å; R7-D17 IonicContact CZ-OD2 2.72Å; R7-D17 IonicContact NH1-OD1 2.9Å; R7-D17 PolarHBondContact NH1-OD1 3.35Å; R7-D17 IonicContact NH2-OD1 3.21Å; R7-D17 PolarHBondContact NH2-OD1 3.49Å; R7-D17 IonicContact NH2-OD2 2.68Å; R7-D17 PolarHBondContact NH2-OD2 3.37Å; R7-Y58 PolarHBondContact NH1-OH 3.06Å
8P73.6Confident74.5Confident53 Ų5384.2 Ų84.234%0.34446%0.455SS..PPolyproline II helixtrans-59.9123.1178.920.7-29.1000108.8R13 K312P8-R13 WeakPolarHBondContact O-CD 3.34Å; P8-R13 PolarHBondContact O-NE 3.49Å; P8-R13 VanDerWaalsContact O-NE 3.11Å; P8-K312 HydrophobicContact CB-CG 4.42Å; P8-K312 HydrophobicContact CG-CG 4.31Å
9T84.5Confident75.7Confident103 Ų10380.6 Ų80.663%0.63244%0.435SS*.PPolyproline II helixtrans-88.2144.6-177.5-169.50000111.5R7R7-T9 PolarHBondContact O-N 3.49Å; R7-T9 VanDerWaalsContact O-N 3.16Å
10N92Very high76.7Confident22 Ų2279.3 Ų79.312%0.11843%0.427CS..  trans-156.7173.3172.464.354.6000109.2I12 R13 Q14 V316N10-I12 VanDerWaalsContact C-N 3.27Å; N10-I12 PolarHBondContact O-N 3.45Å; N10-I12 WeakPolarHBondContact OD1-CA 3.34Å; N10-I12 WeakPolarHBondContact OD1-CB 3.4Å; N10-I12 PolarHBondContact OD1-N 2.93Å; N10-R13 PolarHBondContact ND2-NE 3.49Å; N10-R13 PolarHBondContact O-N 3.32Å; N10-R13 VanDerWaalsContact O-N 3.15Å; N10-R13 PolarHBondContact OD1-N 3.42Å; N10-Q14 WeakPolarHBondContact O-CG 3.45Å; N10-Q14 PolarHBondContact O-N 2.93Å; N10-V316 HydrophobicContact CB-CB 4.14Å
11F94.7Very high77.7Confident44 Ų4479.8 Ų79.819%0.19344%0.442CS..Hα-helixtrans-61.2-32-175.679-88.4000113.7I15 E258 F259 V316 K318F11-I15 HydrophobicContact CD2-CD1 4.06Å; F11-I15 WeakPolarHBondContact O-CD1 3.47Å; F11-I15 VanDerWaalsContact O-CG1 3.28Å; F11-I15 WeakPolarHBondContact O-CG1 3.46Å; F11-I15 PolarHBondContact O-N 3.2Å; F11-I15 VanDerWaalsContact O-N 3.11Å; F11-E258 VanDerWaalsContact CZ-O 3.31Å; F11-E258 WeakPolarHBondContact CZ-O 3.28Å; F11-F259 HydrophobicContact CZ-CB 4.44Å; F11-V316 HydrophobicContact CE1-CG1 3.98Å; F11-K318 HydrophobicContact CE1-CG 3.91Å; F11-K318 HydrophobicContact CE2-CD 4.35Å; F11-K318 HydrophobicContact CE2-CG 4.24Å; F11-K318 HydrophobicContact CZ-CD 4.32Å; F11-K318 HydrophobicContact CZ-CG 3.73Å
12I96.1Very high80.7Confident0 Ų072.3 Ų72.30%041%0.414CS..Hα-helixtrans-69.2-42.8178.2-60.4176.9000109.7N10 Q14 I15 I16 L50 I54 L229 F259 V316N10-I12 VanDerWaalsContact C-N 3.27Å; N10-I12 PolarHBondContact O-N 3.45Å; N10-I12 WeakPolarHBondContact OD1-CA 3.34Å; N10-I12 WeakPolarHBondContact OD1-CB 3.4Å; N10-I12 PolarHBondContact OD1-N 2.93Å; I12-Q14 VanDerWaalsContact C-N 3.35Å; I12-I15 WeakPolarHBondContact O-CB 3.49Å; I12-I15 PolarHBondContact O-N 3.37Å; I12-I16 HydrophobicContact CG2-CD1 3.94Å; I12-I16 VanDerWaalsContact O-CG1 3.31Å; I12-I16 WeakPolarHBondContact O-CG1 3.33Å; I12-I16 PolarHBondContact O-N 3.03Å; I12-L50 HydrophobicContact CD1-CD1 4.4Å; I12-L50 HydrophobicContact CD1-CD2 3.86Å; I12-I54 HydrophobicContact CG2-CD1 3.69Å; I12-L229 HydrophobicContact CD1-CD1 4.46Å; I12-L229 HydrophobicContact CD1-CD2 4.21Å; I12-L229 HydrophobicContact CG2-CD1 4.28Å; I12-L229 HydrophobicContact CG2-CD2 3.88Å; I12-F259 HydrophobicContact CD1-CB 4.45Å; I12-V316 HydrophobicContact CD1-CG1 3.84Å
13R95.4Very high83.7Confident14 Ų1469.9 Ų69.95%0.05341%0.406CS..Hα-helixtrans-67-36.7178.4-68.3174.9-178.2-80.66.3112.4P8 N10 I16 D17 D57 Y58P8-R13 WeakPolarHBondContact O-CD 3.34Å; P8-R13 PolarHBondContact O-NE 3.49Å; P8-R13 VanDerWaalsContact O-NE 3.11Å; N10-R13 PolarHBondContact ND2-NE 3.49Å; N10-R13 PolarHBondContact O-N 3.32Å; N10-R13 VanDerWaalsContact O-N 3.15Å; N10-R13 PolarHBondContact OD1-N 3.42Å; R13-I16 PolarHBondContact O-N 3.43Å; R13-D17 WeakPolarHBondContact O-CB 3.39Å; R13-D17 PolarHBondContact O-N 3.15Å; R13-D57 IonicContact CZ-OD2 3.23Å; R13-D57 IonicContact NH1-OD2 3.99Å; R13-D57 PolarHBondContact NH1-OD2 3.44Å; R13-D57 IonicContact NH2-OD2 3.51Å; R13-D57 PolarHBondContact NH2-OD2 3.49Å; R13-Y58 WeakPolarHBondContact CB-OH 3.48Å; R13-Y58 HydrophobicContact CG-CE2 4.2Å; R13-Y58 PolarHBondContact O-OH 2.82Å
14Q95.8Very high86.3Confident99 Ų9966.1 Ų66.146%0.46339%0.387SS..Hα-helixtrans-60-45.7171.3-70.5171.1-15.700111.4N10 I12 I16 D17 E18N10-Q14 WeakPolarHBondContact O-CG 3.45Å; N10-Q14 PolarHBondContact O-N 2.93Å; I12-Q14 VanDerWaalsContact C-N 3.35Å; Q14-I16 PolarHBondContact O-N 3.35Å; Q14-D17 WeakPolarHBondContact O-CB 3.46Å; Q14-D17 PolarHBondContact O-N 2.85Å; Q14-E18 WeakPolarHBondContact O-CG 3.36Å; Q14-E18 PolarHBondContact O-N 3.18Å
15I96.4Very high88.8Confident36 Ų3664.6 Ų64.619%0.18537%0.367CS..Hα-helixtrans-61.5-43.6175.6-69.8163.7000111.4F11 I12 D17 E18 D19 Y257F11-I15 HydrophobicContact CD2-CD1 4.06Å; F11-I15 WeakPolarHBondContact O-CD1 3.47Å; F11-I15 VanDerWaalsContact O-CG1 3.28Å; F11-I15 WeakPolarHBondContact O-CG1 3.46Å; F11-I15 PolarHBondContact O-N 3.2Å; F11-I15 VanDerWaalsContact O-N 3.11Å; I12-I15 WeakPolarHBondContact O-CB 3.49Å; I12-I15 PolarHBondContact O-N 3.37Å; I15-D17 VanDerWaalsContact C-N 3.33Å; I15-D17 PolarHBondContact O-N 3.38Å; I15-E18 PolarHBondContact O-N 2.85Å; I15-D19 WeakPolarHBondContact O-CB 3.26Å; I15-D19 PolarHBondContact O-N 3.22Å; I15-Y257 HydrophobicContact CD1-CD1 3.92Å; I15-Y257 HydrophobicContact CD1-CE1 3.84Å; I15-Y257 HydrophobicContact CG2-CE1 3.73Å; I15-Y257 HydrophobicContact CG2-CE2 4.35Å; I15-Y257 VanDerWaalsContact CG2-OH 3.28Å; I15-Y257 WeakPolarHBondContact CG2-OH 3.37Å
16I96.8Very high91.1Very high0 Ų062.7 Ų62.70%037%0.368CS..Hα-helixtrans-61.9-43.2177.3-68.3164.2000110.6I12 R13 Q14 E18 D19 L20 V28 I54 Y58 H227I12-I16 HydrophobicContact CG2-CD1 3.94Å; I12-I16 VanDerWaalsContact O-CG1 3.31Å; I12-I16 WeakPolarHBondContact O-CG1 3.33Å; I12-I16 PolarHBondContact O-N 3.03Å; R13-I16 PolarHBondContact O-N 3.43Å; Q14-I16 PolarHBondContact O-N 3.35Å; I16-E18 VanDerWaalsContact C-N 3.32Å; I16-E18 PolarHBondContact O-N 3.48Å; I16-D19 PolarHBondContact O-N 2.86Å; I16-L20 HydrophobicContact CG2-CD1 3.87Å; I16-L20 HydrophobicContact CG2-CG 4.23Å; I16-L20 WeakPolarHBondContact O-CB 3.19Å; I16-L20 VanDerWaalsContact O-CG 3.28Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 3.21Å; I16-V28 HydrophobicContact CD1-CG1 4.49Å; I16-V28 HydrophobicContact CG2-CG2 3.47Å; I16-V28 VanDerWaalsContact CG2-CG2 3.47Å; I16-I54 HydrophobicContact CD1-CD1 3.94Å; I16-I54 HydrophobicContact CD1-CG1 4.16Å; I16-I54 HydrophobicContact CD1-CG2 3.54Å; I16-Y58 HydrophobicContact CB-CE1 4.2Å; I16-Y58 HydrophobicContact CB-CE2 4.43Å; I16-Y58 HydrophobicContact CD1-CE2 4.27Å; I16-Y58 HydrophobicContact CG2-CD1 3.59Å; I16-Y58 HydrophobicContact CG2-CD2 4.19Å; I16-Y58 HydrophobicContact CG2-CE1 3.36Å; I16-Y58 HydrophobicContact CG2-CE2 3.99Å; I16-Y58 HydrophobicContact CG2-CG 4Å; I16-H227 WeakPolarHBondContact CG1-NE2 3.46Å
17D96.3Very high92.8Very high48 Ų4861.6 Ų61.626%0.25735%0.351SS..Hα-helixtrans-60-43.3177.5-68.6-27.4000111.4R7 R13 Q14 I15 A21 Y58R7-D17 IonicContact CZ-OD1 3.76Å; R7-D17 IonicContact CZ-OD2 2.72Å; R7-D17 IonicContact NH1-OD1 2.9Å; R7-D17 PolarHBondContact NH1-OD1 3.35Å; R7-D17 IonicContact NH2-OD1 3.21Å; R7-D17 PolarHBondContact NH2-OD1 3.49Å; R7-D17 IonicContact NH2-OD2 2.68Å; R7-D17 PolarHBondContact NH2-OD2 3.37Å; R13-D17 WeakPolarHBondContact O-CB 3.39Å; R13-D17 PolarHBondContact O-N 3.15Å; Q14-D17 WeakPolarHBondContact O-CB 3.46Å; Q14-D17 PolarHBondContact O-N 2.85Å; I15-D17 VanDerWaalsContact C-N 3.33Å; I15-D17 PolarHBondContact O-N 3.38Å; D17-A21 WeakPolarHBondContact O-CB 3.47Å; D17-A21 PolarHBondContact O-N 3.26Å; D17-Y58 WeakPolarHBondContact OD1-CE1 3.39Å; D17-Y58 PolarHBondContact OD1-OH 3.42Å
18E96.8Very high94Very high132 Ų13256.9 Ų56.962%0.61733%0.333SS*.Hα-helixtrans-65.7-44.1176.2-71171.9-171.300112.2Q14 I15 I16 L20 A21 S22Q14-E18 WeakPolarHBondContact O-CG 3.36Å; Q14-E18 PolarHBondContact O-N 3.18Å; I15-E18 PolarHBondContact O-N 2.85Å; I16-E18 VanDerWaalsContact C-N 3.32Å; I16-E18 PolarHBondContact O-N 3.48Å; E18-L20 PolarHBondContact O-N 2.94Å; E18-A21 PolarHBondContact O-N 2.68Å; E18-S22 VanDerWaalsContact O-CB 3.32Å; E18-S22 WeakPolarHBondContact O-CB 3.41Å; E18-S22 PolarHBondContact O-N 3.42Å; E18-S22 PolarHBondContact O-OG 3.44Å
19D96.9Very high95.2Very high15 Ų1555.4 Ų55.48%0.0832%0.322CS..Hα-helixtrans-65.8-37.1179.6-81.8-7.5000111.4I15 I16 S22 G23 K24 H25 H227 Y257I15-D19 WeakPolarHBondContact O-CB 3.26Å; I15-D19 PolarHBondContact O-N 3.22Å; I16-D19 PolarHBondContact O-N 2.86Å; D19-S22 PolarHBondContact O-OG 3.48Å; D19-S22 VanDerWaalsContact O-OG 3.14Å; D19-G23 PolarHBondContact O-N 2.91Å; D19-K24 HydrophobicContact CB-CD 4.14Å; D19-K24 VanDerWaalsContact CG-CD 3.49Å; D19-K24 VanDerWaalsContact CG-NZ 3.28Å; D19-K24 WeakPolarHBondContact O-CB 3.44Å; D19-K24 PolarHBondContact O-N 3.25Å; D19-K24 WeakPolarHBondContact OD1-CD 3.43Å; D19-K24 IonicContact OD1-NZ 3.45Å; D19-K24 PolarHBondContact OD1-NZ 3.45Å; D19-K24 VanDerWaalsContact OD1-NZ 3.1Å; D19-K24 IonicContact OD2-NZ 3.45Å; D19-K24 PolarHBondContact OD2-NZ 3.01Å; D19-H25 PolarHBondContact O-N 3.23Å; D19-H25 IonicContact OD2-CD2 3.53Å; D19-H227 IonicContact OD2-NE2 3.85Å; D19-H227 PolarHBondContact OD2-NE2 3.25Å; D19-Y257 PolarHBondContact OD2-OH 3.01Å
20L96.3Very high95.9Very high54 Ų5450.5 Ų50.528%0.28329%0.292SS..Hα-helixtrans-72.9-43.8174-68.7175.8000112I16 E18 S22 G23 H25 V28 Y58I16-L20 HydrophobicContact CG2-CD1 3.87Å; I16-L20 HydrophobicContact CG2-CG 4.23Å; I16-L20 WeakPolarHBondContact O-CB 3.19Å; I16-L20 VanDerWaalsContact O-CG 3.28Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 3.21Å; E18-L20 PolarHBondContact O-N 2.94Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 3.02Å; L20-G23 PolarHBondContact O-N 3.5Å; L20-G23 VanDerWaalsContact O-N 3.09Å; L20-H25 WeakPolarHBondContact CD2-O 3.43Å; L20-V28 HydrophobicContact CD1-CG2 3.97Å; L20-V28 HydrophobicContact CD2-CG2 4.14Å; L20-V28 HydrophobicContact CG-CG2 4.31Å; L20-Y58 HydrophobicContact CD1-CD1 3.52Å; L20-Y58 HydrophobicContact CD1-CE1 3.92Å
21A96.4Very high96.2Very high90 Ų9049.6 Ų49.674%0.74429%0.287SS*.Hα-helixtrans-65.6-34.5-179.500000112.6D17 E18 G23D17-A21 WeakPolarHBondContact O-CB 3.47Å; D17-A21 PolarHBondContact O-N 3.26Å; E18-A21 PolarHBondContact O-N 2.68Å; A21-G23 VanDerWaalsContact C-N 3.26Å; A21-G23 PolarHBondContact O-N 3.11Å
22S96.8Very high96.4Very high86 Ų8647.8 Ų47.860%0.60128%0.279SS*.THydrogen-bonded Turntrans-77-10.5174.660.70000113.6E18 D19 L20 K24E18-S22 VanDerWaalsContact O-CB 3.32Å; E18-S22 WeakPolarHBondContact O-CB 3.41Å; E18-S22 PolarHBondContact O-N 3.42Å; E18-S22 PolarHBondContact O-OG 3.44Å; D19-S22 PolarHBondContact O-OG 3.48Å; D19-S22 VanDerWaalsContact O-OG 3.14Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 3.02Å; S22-K24 PolarHBondContact O-N 2.95Å
23G95.1Very high96.5Very high52 Ų5248.9 Ų48.954%0.53629%0.286SS..THydrogen-bonded Turntrans73.711.1-175.800000114.1D19 L20 A21 H25D19-G23 PolarHBondContact O-N 2.91Å; L20-G23 PolarHBondContact O-N 3.5Å; L20-G23 VanDerWaalsContact O-N 3.09Å; A21-G23 VanDerWaalsContact C-N 3.26Å; A21-G23 PolarHBondContact O-N 3.11Å; G23-H25 PolarHBondContact O-N 2.92Å
24K94.5Very high96.5Very high95 Ų9548.8 Ų48.841%0.41329%0.287SS..SBendtrans-59-37.8175.1-178-165.5172.9-163.80111.2D19 S22D19-K24 HydrophobicContact CB-CD 4.14Å; D19-K24 VanDerWaalsContact CG-CD 3.49Å; D19-K24 VanDerWaalsContact CG-NZ 3.28Å; D19-K24 WeakPolarHBondContact O-CB 3.44Å; D19-K24 PolarHBondContact O-N 3.25Å; D19-K24 WeakPolarHBondContact OD1-CD 3.43Å; D19-K24 IonicContact OD1-NZ 3.45Å; D19-K24 PolarHBondContact OD1-NZ 3.45Å; D19-K24 VanDerWaalsContact OD1-NZ 3.1Å; D19-K24 IonicContact OD2-NZ 3.45Å; D19-K24 PolarHBondContact OD2-NZ 3.01Å; S22-K24 PolarHBondContact O-N 2.95Å
25H94.5Very high96.4Very high40 Ų4048.2 Ų48.219%0.18528%0.284CS..  trans-128.4144.3168.8-60-59.6000109.6D19 L20 G23 T226 H227D19-H25 PolarHBondContact O-N 3.23Å; D19-H25 IonicContact OD2-CD2 3.53Å; L20-H25 WeakPolarHBondContact CD2-O 3.43Å; G23-H25 PolarHBondContact O-N 2.92Å; H25-T226 HydrophobicContact CB-CG2 4.38Å; H25-H227 AromaticContact CD2-CE1 3.86Å
26T93.4Very high96.1Very high138 Ų13846.5 Ų46.585%0.84728%0.276SS*.SBendtrans-93.4-20.1174.752.20000112.7
27T95.4Very high95.8Very high73 Ų7347.4 Ų47.445%0.44828%0.281SS..SBendtrans-146.5153-179.5161.30000109
28V97.2Very high95.5Very high1 Ų145.6 Ų45.61%0.00627%0.273CS..  trans-94.4134.4175.8-176.50000109.5I16 L20 T30 I54 Y58 G60 Q61I16-V28 HydrophobicContact CD1-CG1 4.49Å; I16-V28 HydrophobicContact CG2-CG2 3.47Å; I16-V28 VanDerWaalsContact CG2-CG2 3.47Å; L20-V28 HydrophobicContact CD1-CG2 3.97Å; L20-V28 HydrophobicContact CD2-CG2 4.14Å; L20-V28 HydrophobicContact CG-CG2 4.31Å; V28-T30 HydrophobicContact CG1-CG2 4.2Å; V28-I54 HydrophobicContact CG1-CG2 3.67Å; V28-Y58 HydrophobicContact CG2-CD1 4.23Å; V28-Y58 HydrophobicContact CG2-CG 4.04Å; V28-G60 CarbonylContact O-C 3.52Å; V28-G60 WeakPolarHBondContact O-CA 3.46Å; V28-Q61 PolarHBondContact O-N 2.91Å
29H98.2Very high95.4Very high21 Ų2141.1 Ų41.110%0.09725%0.25CS..EExtended strand (participates in β ladder)trans-136118175.3-159.8167.9000109.8Q61 N63 E223 T226 H227H29-Q61 CarbonylContact C-O 3.58Å; H29-Q61 WeakPolarHBondContact CA-O 3.46Å; H29-Q61 PolarHBondContact CD2-O 3.02Å; H29-Q61 PolarHBondContact CE1-OE1 2.89Å; H29-N63 VanDerWaalsContact NE2-CG 3.33Å; H29-N63 PolarHBondContact NE2-ND2 2.84Å; H29-N63 PolarHBondContact NE2-OD1 2.99Å; H29-E223 PolarHBondContact CE1-O 2.98Å; H29-E223 PolarHBondContact ND1-O 2.96Å; H29-T226 HydrophobicContact CB-CG2 4.27Å; H29-T226 PolarHBondContact N-OG1 3.09Å; H29-T226 PolarHBondContact O-N 3.04Å; H29-T226 PolarHBondContact O-OG1 3.25Å; H29-H227 PolarHBondContact O-N 3.25Å
30T98.6Very high95.4Very high0 Ų040.5 Ų40.50%025%0.247CC..EExtended strand (participates in β ladder)trans-118.1175.417957.20000111V28 N51 I54 Q61 C62 N63 I225 H227 L229V28-T30 HydrophobicContact CG1-CG2 4.2Å; T30-N51 PolarHBondContact OG1-O 3.47Å; T30-I54 HydrophobicContact CG2-CB 4.39Å; T30-I54 HydrophobicContact CG2-CG2 3.77Å; T30-Q61 PolarHBondContact N-O 2.88Å; T30-Q61 PolarHBondContact OG1-O 2.71Å; T30-C62 VanDerWaalsContact O-CA 3.31Å; T30-C62 WeakPolarHBondContact O-CA 3.21Å; T30-C62 WeakPolarHBondContact OG1-CB 3.37Å; T30-C62 PolarHBondContact OG1-SG 3.29Å; T30-N63 PolarHBondContact O-N 2.85Å; T30-I225 WeakPolarHBondContact O-CD1 3.46Å; T30-H227 HydrophobicContact CG2-CB 4.49Å; T30-L229 HydrophobicContact CG2-CD1 4.43Å
31R98.7Very high95.5Very high4 Ų439 Ų392%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-147.9149.7172.785.4-61169.7-96.97112P33 N51 N63 H216 D220 I225 S228 L229R31-P33 HydrophobicContact CG-CB 4.08Å; R31-P33 HydrophobicContact CG-CG 4.06Å; R31-N51 PolarHBondContact O-OD1 3.48Å; R31-N63 CarbonylContact C-O 3.5Å; R31-N63 VanDerWaalsContact CA-O 3.26Å; R31-N63 WeakPolarHBondContact CA-O 3.42Å; R31-N63 HydrophobicContact CB-CB 4.03Å; R31-H216 PolarHBondContact NH2-CE1 3.1Å; R31-H216 VanDerWaalsContact NH2-CE1 3.27Å; R31-H216 PolarHBondContact NH2-NE2 3.44Å; R31-D220 WeakPolarHBondContact CD-OD1 3.31Å; R31-D220 IonicContact NE-OD1 3.97Å; R31-D220 PolarHBondContact NE-OD1 3.41Å; R31-D220 IonicContact NE-OD2 2.66Å; R31-I225 HydrophobicContact CB-CD1 3.96Å; R31-S228 PolarHBondContact NE-OG 2.91Å; R31-S228 PolarHBondContact NH2-OG 3.22Å; R31-L229 PolarHBondContact NH1-O 3.29Å; R31-L229 PolarHBondContact NH2-O 2.91Å
32F98.6Very high95.5Very high6 Ų634.8 Ų34.83%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-106.5110.2161.4179.1-122.2000108.3P34 L40 H44 I48 F52 N63 L64 R65 V86F32-P34 HydrophobicContact CD1-CG 3.97Å; F32-P34 HydrophobicContact CE1-CB 4.08Å; F32-P34 HydrophobicContact CE1-CG 3.57Å; F32-P34 HydrophobicContact CZ-CB 4.01Å; F32-P34 HydrophobicContact CZ-CG 4.02Å; F32-P34 WeakPolarHBondContact O-CD 3.29Å; F32-L40 HydrophobicContact CE1-CD1 4.09Å; F32-L40 HydrophobicContact CE1-CD2 4.33Å; F32-L40 HydrophobicContact CZ-CD1 4.34Å; F32-L40 HydrophobicContact CZ-CD2 3.98Å; F32-H44 HydrophobicContact CZ-CB 4.31Å; F32-I48 HydrophobicContact CD1-CD1 4.37Å; F32-I48 HydrophobicContact CD1-CG1 3.77Å; F32-I48 HydrophobicContact CD2-CG1 4.03Å; F32-I48 HydrophobicContact CE1-CD1 3.76Å; F32-I48 HydrophobicContact CE1-CG1 3.56Å; F32-I48 HydrophobicContact CE2-CG1 3.85Å; F32-I48 HydrophobicContact CG-CG1 4.01Å; F32-I48 HydrophobicContact CZ-CD1 3.88Å; F32-I48 HydrophobicContact CZ-CG1 3.62Å; F32-F52 HydrophobicContact CB-CD2 4.43Å; F32-F52 HydrophobicContact CB-CE2 3.61Å; F32-F52 HydrophobicContact CB-CZ 4.27Å; F32-F52 HydrophobicContact CD1-CE2 4.32Å; F32-F52 HydrophobicContact CG-CE2 4.25Å; F32-N63 PolarHBondContact N-O 3.04Å; F32-L64 HydrophobicContact CD1-CD1 3.84Å; F32-R65 PolarHBondContact O-N 3.26Å; F32-V86 HydrophobicContact CD1-CG2 4.15Å; F32-V86 HydrophobicContact CE1-CG2 4.2Å
33P97.8Very high95.5Very high23 Ų2331.4 Ų31.415%0.14918%0.182CC..  trans-111.362.8-171.941.4-34.2000113.8R31 R65R31-P33 HydrophobicContact CG-CB 4.08Å; R31-P33 HydrophobicContact CG-CG 4.06Å; P33-R65 CarbonylContact C-O 3.59Å; P33-R65 WeakPolarHBondContact CA-O 3.37Å; P33-R65 HydrophobicContact CB-CB 4.29Å
34P96.5Very high95.6Very high12 Ų1231.7 Ų31.78%0.07817%0.17CC..  trans-67.5147.5178.829.8-36.6000111.9F32 L40 L64 R65 F66 D67 I82F32-P34 HydrophobicContact CD1-CG 3.97Å; F32-P34 HydrophobicContact CE1-CB 4.08Å; F32-P34 HydrophobicContact CE1-CG 3.57Å; F32-P34 HydrophobicContact CZ-CB 4.01Å; F32-P34 HydrophobicContact CZ-CG 4.02Å; F32-P34 WeakPolarHBondContact O-CD 3.29Å; P34-L40 HydrophobicContact CB-CD2 4.3Å; P34-L64 HydrophobicContact CG-CD1 4.27Å; P34-R65 VanDerWaalsContact CD-O 3.23Å; P34-R65 WeakPolarHBondContact CD-O 3.34Å; P34-F66 HydrophobicContact CG-CD1 4.43Å; P34-F66 HydrophobicContact CG-CE1 4.41Å; P34-F66 WeakPolarHBondContact O-CA 3.33Å; P34-D67 PolarHBondContact O-N 2.68Å; P34-I82 HydrophobicContact CB-CD1 4.09Å; P34-I82 HydrophobicContact CG-CD1 4.1Å; P34-I82 HydrophobicContact CG-CG2 3.72Å
35E92.9Very high95.7Very high87 Ų8727.2 Ų27.241%0.40715%0.15SC..  trans-72.1130.4163.2-64.2-179.5-176.200108.9N37 D67E35-N37 PolarHBondContact O-N 3.26Å; E35-N37 PolarHBondContact OE2-ND2 3.31Å; E35-D67 HydrophobicContact CG-CB 4.48Å
36P91Very high95.8Very high0 Ų025.7 Ų25.70%014%0.143CC..SBendtrans-79.853.5-178.730.8-32.1000112.3F66 D68 E74 D75 Y78 V79P36-F66 HydrophobicContact CB-CD1 3.67Å; P36-F66 HydrophobicContact CB-CE1 4.24Å; P36-F66 HydrophobicContact CB-CG 4.38Å; P36-F66 HydrophobicContact CG-CB 4.12Å; P36-F66 HydrophobicContact CG-CD1 4.13Å; P36-F66 HydrophobicContact CG-CG 4.47Å; P36-D68 HydrophobicContact CG-CB 3.96Å; P36-E74 HydrophobicContact CG-CB 4.04Å; P36-E74 HydrophobicContact CG-CG 3.82Å; P36-E74 VanDerWaalsContact O-CA 3.31Å; P36-E74 WeakPolarHBondContact O-CA 3.45Å; P36-D75 PolarHBondContact O-N 3.42Å; P36-Y78 WeakPolarHBondContact O-CB 2.94Å; P36-Y78 VanDerWaalsContact O-CD2 3.3Å; P36-Y78 WeakPolarHBondContact O-CD2 3.4Å; P36-V79 HydrophobicContact CB-CG2 3.58Å; P36-V79 HydrophobicContact CG-CG2 4.37Å
37N88.8Confident96Very high19 Ų1919.9 Ų19.910%0.10211%0.108CC..SBendtrans-125.36-172.965.819.9000113.9E35 K73 Y78 K271E35-N37 PolarHBondContact O-N 3.26Å; E35-N37 PolarHBondContact OE2-ND2 3.31Å; N37-K73 VanDerWaalsContact CA-O 3.31Å; N37-K73 WeakPolarHBondContact CA-O 3.5Å; N37-K73 HydrophobicContact CB-CB 3.98Å; N37-K73 WeakPolarHBondContact CB-O 3.3Å; N37-Y78 VanDerWaalsContact C-CE2 3.48Å; N37-Y78 VanDerWaalsContact CA-CD2 3.5Å; N37-Y78 WeakPolarHBondContact O-CE2 3.35Å; N37-K271 VanDerWaalsContact C-NZ 3.28Å; N37-K271 PolarHBondContact ND2-NZ 2.87Å; N37-K271 WeakPolarHBondContact O-CE 3.41Å; N37-K271 PolarHBondContact O-NZ 3.3Å; N37-K271 PolarHBondContact OD1-NZ 3.21Å
38G90.6Very high96.1Very high9 Ų916.4 Ų16.49%0.0939%0.087CC..SBendtrans-173166.2178.100000112.4
39Y95.4Very high96.2Very high38 Ų3817.3 Ų17.315%0.1499%0.093CC..  trans-72.8146.4176.9-57.1-88.5000111.8E77 Y78 S81 W286Y39-E77 PolarHBondContact OH-OE1 2.99Å; Y39-Y78 HydrophobicContact CD2-CD1 4.32Å; Y39-Y78 AromaticContact CD2-CE1 3.87Å; Y39-Y78 HydrophobicContact CD2-CE1 3.87Å; Y39-Y78 HydrophobicContact CE2-CD1 4.25Å; Y39-Y78 AromaticContact CE2-CE1 3.59Å; Y39-Y78 HydrophobicContact CE2-CE1 3.59Å; Y39-Y78 HydrophobicContact CG-CE1 4.5Å; Y39-Y78 AromaticContact CZ-CE1 3.98Å; Y39-S81 WeakPolarHBondContact CD1-OG 3.41Å; Y39-W286 HydrophobicContact CD2-CB 3.5Å; Y39-W286 AromaticContact CD2-CD1 3.74Å; Y39-W286 AromaticContact CD2-CD2 3.3Å; Y39-W286 HydrophobicContact CD2-CD2 3.3Å; Y39-W286 AromaticContact CD2-CE2 3.83Å; Y39-W286 AromaticContact CD2-CE3 3.67Å; Y39-W286 HydrophobicContact CD2-CE3 3.67Å; Y39-W286 AromaticContact CD2-CG 3.23Å; Y39-W286 HydrophobicContact CD2-CG 3.23Å; Y39-W286 HydrophobicContact CD2-CZ3 4.45Å; Y39-W286 HydrophobicContact CE2-CB 3.49Å; Y39-W286 VanDerWaalsContact CE2-CB 3.49Å; Y39-W286 AromaticContact CE2-CD1 3.19Å; Y39-W286 AromaticContact CE2-CD2 3.65Å; Y39-W286 HydrophobicContact CE2-CD2 3.65Å; Y39-W286 AromaticContact CE2-CE2 3.93Å; Y39-W286 HydrophobicContact CE2-CE3 4.46Å; Y39-W286 AromaticContact CE2-CG 3.16Å; Y39-W286 HydrophobicContact CE2-CG 3.16Å; Y39-W286 AromaticContact CE2-NE1 3.66Å; Y39-W286 HydrophobicContact CG-CB 4.03Å; Y39-W286 HydrophobicContact CG-CD2 4.33Å; Y39-W286 HydrophobicContact CG-CE3 4.4Å; Y39-W286 HydrophobicContact CG-CG 4.21Å
40L97.3Very high96.1Very high3 Ų316.7 Ų16.72%0.0169%0.09CC..  trans-70.6156.6174.4-60.4179.8000111.1F32 P34 H44 I48 I82 D85 T293 I294F32-L40 HydrophobicContact CE1-CD1 4.09Å; F32-L40 HydrophobicContact CE1-CD2 4.33Å; F32-L40 HydrophobicContact CZ-CD1 4.34Å; F32-L40 HydrophobicContact CZ-CD2 3.98Å; P34-L40 HydrophobicContact CB-CD2 4.3Å; L40-H44 HydrophobicContact CB-CB 4.15Å; L40-H44 HydrophobicContact CD2-CB 3.91Å; L40-H44 HydrophobicContact CG-CB 4.5Å; L40-I48 HydrophobicContact CD1-CD1 3.85Å; L40-I82 HydrophobicContact CD1-CB 4.28Å; L40-I82 HydrophobicContact CD1-CG1 4.04Å; L40-I82 HydrophobicContact CD1-CG2 4.14Å; L40-I82 HydrophobicContact CD2-CG1 3.97Å; L40-I82 HydrophobicContact CG-CG1 3.75Å; L40-D85 HydrophobicContact CD1-CB 4.04Å; L40-T293 CarbonylContact O-C 3.57Å; L40-T293 WeakPolarHBondContact O-CA 3.47Å; L40-T293 WeakPolarHBondContact O-CB 3.34Å; L40-I294 HydrophobicContact CB-CD1 3.69Å; L40-I294 HydrophobicContact CB-CG1 4.17Å; L40-I294 HydrophobicContact CD1-CD1 4.2Å; L40-I294 PolarHBondContact O-N 3.43Å
41H97.4Very high96.1Very high22 Ų2216.7 Ų16.710%0.1029%0.09CC..BIsolated β-bridgetrans-138173.1-179.359.851.2000110.7G43 H44 A45 M269 P292H41-G43 WeakPolarHBondContact ND1-CA 3.49Å; H41-G43 PolarHBondContact ND1-N 2.87Å; H41-G43 VanDerWaalsContact ND1-N 3.16Å; H41-G43 PolarHBondContact O-N 2.86Å; H41-H44 AromaticContact CD2-CE1 3.58Å; H41-H44 AromaticContact CD2-ND1 3.54Å; H41-H44 AromaticContact CE1-CE1 3.36Å; H41-H44 PolarHBondContact CE1-CE1 3.35Å; H41-H44 AromaticContact CE1-CG 3.96Å; H41-H44 AromaticContact CE1-ND1 3.22Å; H41-H44 PolarHBondContact CE1-ND1 2.97Å; H41-H44 AromaticContact CG-CE1 3.97Å; H41-H44 AromaticContact CG-ND1 3.45Å; H41-H44 PolarHBondContact N-ND1 3.3Å; H41-H44 AromaticContact ND1-CE1 3.84Å; H41-H44 PolarHBondContact ND1-N 3.31Å; H41-H44 AromaticContact ND1-ND1 3.25Å; H41-H44 PolarHBondContact ND1-ND1 3.13Å; H41-H44 AromaticContact NE2-CE1 3.17Å; H41-H44 PolarHBondContact NE2-CE1 3.35Å; H41-H44 AromaticContact NE2-ND1 3.41Å; H41-H44 PolarHBondContact NE2-ND1 2.84Å; H41-H44 WeakPolarHBondContact O-CA 3.31Å; H41-H44 VanDerWaalsContact O-CB 3.3Å; H41-H44 WeakPolarHBondContact O-CB 3.27Å; H41-H44 PolarHBondContact O-N 2.93Å; H41-A45 PolarHBondContact O-N 2.67Å; H41-M269 PolarHBondContact NE2-O 3.07Å; H41-P292 CarbonylContact C-O 3.53Å; H41-P292 WeakPolarHBondContact CA-O 3.35Å; H41-P292 VanDerWaalsContact CB-O 3.26Å; H41-P292 WeakPolarHBondContact CB-O 3.3Å
42I97.3Very high96.1Very high1 Ų116.7 Ų16.71%0.0059%0.09CC..Hα-helixtrans-53.7-33.1-175.6-166.960.3000113.2H44 A45 L262 L264 M269 P292 L297 I307 F310 L328I42-H44 VanDerWaalsContact C-N 3.35Å; I42-H44 PolarHBondContact O-N 3.44Å; I42-A45 HydrophobicContact CD1-CB 4.24Å; I42-A45 VanDerWaalsContact O-CB 3.31Å; I42-A45 WeakPolarHBondContact O-CB 3.48Å; I42-A45 PolarHBondContact O-N 2.81Å; I42-A45 VanDerWaalsContact O-N 3.16Å; I42-L262 HydrophobicContact CG1-CD2 4.01Å; I42-L262 HydrophobicContact CG2-CD2 4.17Å; I42-L264 HydrophobicContact CG2-CD2 4.17Å; I42-M269 HydrophobicContact CG2-SD 3.69Å; I42-P292 HydrophobicContact CG2-CB 4.15Å; I42-P292 PolarHBondContact N-O 2.85Å; I42-L297 HydrophobicContact CB-CD1 4.01Å; I42-L297 HydrophobicContact CD1-CD1 3.79Å; I42-L297 HydrophobicContact CG1-CD1 4.25Å; I42-I307 HydrophobicContact CD1-CG1 4.42Å; I42-I307 HydrophobicContact CD1-CG2 3.78Å; I42-F310 HydrophobicContact CD1-CD1 4.32Å; I42-F310 HydrophobicContact CD1-CE1 4.43Å; I42-F310 HydrophobicContact CG1-CE1 4.19Å; I42-L328 HydrophobicContact CD1-CD1 4.38Å; I42-L328 HydrophobicContact CG1-CD2 4.34Å
43G95.4Very high96Very high15 Ų1516.8 Ų16.816%0.1559%0.093CC..Hα-helixtrans-60.2-38.2170.900000114.8H41 A45 K46 M269H41-G43 WeakPolarHBondContact ND1-CA 3.49Å; H41-G43 PolarHBondContact ND1-N 2.87Å; H41-G43 VanDerWaalsContact ND1-N 3.16Å; H41-G43 PolarHBondContact O-N 2.86Å; G43-A45 VanDerWaalsContact C-N 3.33Å; G43-K46 PolarHBondContact O-N 3.14Å; G43-M269 PolarHBondContact N-SD 3.15Å
44H97.4Very high95.9Very high59 Ų5915.7 Ų15.727%0.2739%0.086SC..Hα-helixtrans-69.3-32.1174.1-63.7110.5000111.8F32 L40 H41 I42 K46 S47 I48F32-H44 HydrophobicContact CZ-CB 4.31Å; L40-H44 HydrophobicContact CB-CB 4.15Å; L40-H44 HydrophobicContact CD2-CB 3.91Å; L40-H44 HydrophobicContact CG-CB 4.5Å; H41-H44 AromaticContact CD2-CE1 3.58Å; H41-H44 AromaticContact CD2-ND1 3.54Å; H41-H44 AromaticContact CE1-CE1 3.36Å; H41-H44 PolarHBondContact CE1-CE1 3.35Å; H41-H44 AromaticContact CE1-CG 3.96Å; H41-H44 AromaticContact CE1-ND1 3.22Å; H41-H44 PolarHBondContact CE1-ND1 2.97Å; H41-H44 AromaticContact CG-CE1 3.97Å; H41-H44 AromaticContact CG-ND1 3.45Å; H41-H44 PolarHBondContact N-ND1 3.3Å; H41-H44 AromaticContact ND1-CE1 3.84Å; H41-H44 PolarHBondContact ND1-N 3.31Å; H41-H44 AromaticContact ND1-ND1 3.25Å; H41-H44 PolarHBondContact ND1-ND1 3.13Å; H41-H44 AromaticContact NE2-CE1 3.17Å; H41-H44 PolarHBondContact NE2-CE1 3.35Å; H41-H44 AromaticContact NE2-ND1 3.41Å; H41-H44 PolarHBondContact NE2-ND1 2.84Å; H41-H44 WeakPolarHBondContact O-CA 3.31Å; H41-H44 VanDerWaalsContact O-CB 3.3Å; H41-H44 WeakPolarHBondContact O-CB 3.27Å; H41-H44 PolarHBondContact O-N 2.93Å; I42-H44 VanDerWaalsContact C-N 3.35Å; I42-H44 PolarHBondContact O-N 3.44Å; H44-K46 PolarHBondContact O-N 3.05Å; H44-S47 WeakPolarHBondContact O-CB 3.25Å; H44-S47 PolarHBondContact O-N 3.39Å; H44-I48 WeakPolarHBondContact O-CG1 3.35Å; H44-I48 PolarHBondContact O-N 2.9Å
45A97.8Very high95.9Very high0 Ų015.5 Ų15.50%09%0.085CC..Hα-helixtrans-58.1-34.617600000112.2H41 I42 G43 I48 C49 L89 I294 I307H41-A45 PolarHBondContact O-N 2.67Å; I42-A45 HydrophobicContact CD1-CB 4.24Å; I42-A45 VanDerWaalsContact O-CB 3.31Å; I42-A45 WeakPolarHBondContact O-CB 3.48Å; I42-A45 PolarHBondContact O-N 2.81Å; I42-A45 VanDerWaalsContact O-N 3.16Å; G43-A45 VanDerWaalsContact C-N 3.33Å; A45-I48 PolarHBondContact O-N 2.98Å; A45-C49 WeakPolarHBondContact O-CB 3.42Å; A45-C49 PolarHBondContact O-N 3.12Å; A45-C49 PolarHBondContact O-SG 3.39Å; A45-L89 HydrophobicContact CB-CD1 4.11Å; A45-I294 HydrophobicContact CB-CD1 4.36Å; A45-I307 HydrophobicContact CB-CG2 3.73Å
46K96.2Very high96Very high8 Ų816.6 Ų16.64%0.0359%0.091CC..Hα-helixtrans-60-46.4172.3-174.2-179.9-177.5-175.60111.5G43 H44 L50 F259 S260 L262 I314 G315G43-K46 PolarHBondContact O-N 3.14Å; H44-K46 PolarHBondContact O-N 3.05Å; K46-L50 VanDerWaalsContact O-CB 3.28Å; K46-L50 WeakPolarHBondContact O-CB 3.32Å; K46-L50 PolarHBondContact O-N 3.23Å; K46-F259 HydrophobicContact CD-CE2 4.41Å; K46-F259 HydrophobicContact CG-CE2 4.46Å; K46-S260 PolarHBondContact NZ-O 3Å; K46-L262 HydrophobicContact CB-CB 4.5Å; K46-L262 HydrophobicContact CD-CB 4.04Å; K46-I314 HydrophobicContact CD-CD1 3.96Å; K46-I314 HydrophobicContact CG-CD1 4.28Å; K46-G315 WeakPolarHBondContact CE-O 3.01Å
47S97.4Very high96.2Very high17 Ų1719.9 Ų19.912%0.11911%0.108CC..Hα-helixtrans-66.8-40.6178.8-170.80000112.2H44 L50 N51H44-S47 WeakPolarHBondContact O-CB 3.25Å; H44-S47 PolarHBondContact O-N 3.39Å; S47-L50 PolarHBondContact O-N 3.45Å; S47-N51 WeakPolarHBondContact O-CB 3.17Å; S47-N51 PolarHBondContact O-N 3.26Å; S47-N51 PolarHBondContact O-ND2 2.61Å; S47-N51 PolarHBondContact OG-ND2 3.08Å
48I98.4Very high96.5Very high0 Ų020.4 Ų20.40%011%0.109CC..Hα-helixtrans-62.3-54.5176.3-67.6165.9000109.9F32 L40 H44 A45 L50 N51 F52 V86 L89 F91 I294F32-I48 HydrophobicContact CD1-CD1 4.37Å; F32-I48 HydrophobicContact CD1-CG1 3.77Å; F32-I48 HydrophobicContact CD2-CG1 4.03Å; F32-I48 HydrophobicContact CE1-CD1 3.76Å; F32-I48 HydrophobicContact CE1-CG1 3.56Å; F32-I48 HydrophobicContact CE2-CG1 3.85Å; F32-I48 HydrophobicContact CG-CG1 4.01Å; F32-I48 HydrophobicContact CZ-CD1 3.88Å; F32-I48 HydrophobicContact CZ-CG1 3.62Å; L40-I48 HydrophobicContact CD1-CD1 3.85Å; H44-I48 WeakPolarHBondContact O-CG1 3.35Å; H44-I48 PolarHBondContact O-N 2.9Å; A45-I48 PolarHBondContact O-N 2.98Å; I48-L50 PolarHBondContact O-N 2.64Å; I48-N51 PolarHBondContact O-N 2.84Å; I48-F52 HydrophobicContact CB-CD2 4.43Å; I48-F52 HydrophobicContact CG2-CD2 3.76Å; I48-F52 HydrophobicContact CG2-CE2 4.16Å; I48-F52 WeakPolarHBondContact O-CB 3.28Å; I48-F52 WeakPolarHBondContact O-CD2 3.39Å; I48-F52 PolarHBondContact O-N 3.18Å; I48-V86 HydrophobicContact CD1-CG2 3.95Å; I48-V86 HydrophobicContact CG1-CG2 4.34Å; I48-L89 HydrophobicContact CB-CD1 4.32Å; I48-L89 HydrophobicContact CD1-CD1 3.95Å; I48-L89 HydrophobicContact CG2-CD1 3.95Å; I48-F91 HydrophobicContact CG2-CD2 3.54Å; I48-F91 HydrophobicContact CG2-CE2 3.91Å; I48-F91 HydrophobicContact CG2-CG 4.37Å; I48-I294 HydrophobicContact CD1-CD1 4.17Å
49C97.5Very high96.8Very high19 Ų1928.3 Ų28.313%0.12814%0.141CC..Hα-helixtrans-59.1-33.8179.7-66.50000112A45 G53 F91 C311A45-C49 WeakPolarHBondContact O-CB 3.42Å; A45-C49 PolarHBondContact O-N 3.12Å; A45-C49 PolarHBondContact O-SG 3.39Å; C49-G53 VanDerWaalsContact O-CA 3.24Å; C49-G53 WeakPolarHBondContact O-CA 3.39Å; C49-G53 PolarHBondContact O-N 3.48Å; C49-F91 HydrophobicContact CB-CZ 4.35Å; C49-C311 HydrophobicContact CB-CB 3.8Å
50L97.2Very high96.9Very high8 Ų827.4 Ų27.44%0.04214%0.143CC..Hα-helixtrans-70.5-56.2176.1179.655.9000112.4I12 K46 S47 I48 I54 L229 F259 V316I12-L50 HydrophobicContact CD1-CD1 4.4Å; I12-L50 HydrophobicContact CD1-CD2 3.86Å; K46-L50 VanDerWaalsContact O-CB 3.28Å; K46-L50 WeakPolarHBondContact O-CB 3.32Å; K46-L50 PolarHBondContact O-N 3.23Å; S47-L50 PolarHBondContact O-N 3.45Å; I48-L50 PolarHBondContact O-N 2.64Å; L50-I54 HydrophobicContact CD1-CD1 3.5Å; L50-I54 HydrophobicContact CD1-CG1 4.16Å; L50-I54 HydrophobicContact CG-CD1 4.12Å; L50-I54 WeakPolarHBondContact O-CB 3.38Å; L50-I54 VanDerWaalsContact O-CG1 3.3Å; L50-I54 WeakPolarHBondContact O-CG1 3.26Å; L50-I54 PolarHBondContact O-N 3.36Å; L50-L229 HydrophobicContact CD1-CD1 4.47Å; L50-L229 HydrophobicContact CD2-CD1 4.15Å; L50-L229 HydrophobicContact CG-CD1 3.89Å; L50-F259 HydrophobicContact CD2-CD1 3.65Å; L50-F259 HydrophobicContact CD2-CD2 4.25Å; L50-F259 HydrophobicContact CD2-CE1 3.75Å; L50-F259 HydrophobicContact CD2-CE2 4.33Å; L50-F259 HydrophobicContact CD2-CG 3.94Å; L50-F259 HydrophobicContact CD2-CZ 4.1Å; L50-V316 HydrophobicContact CD1-CG2 3.89Å; L50-V316 HydrophobicContact CD2-CG1 4.03Å; L50-V316 HydrophobicContact CD2-CG2 4.32Å
51N98.4Very high96.9Very high0 Ų031.8 Ų31.80%016%0.163CC..Hα-helixtrans-66.8-49.1-173.4-78.1-80.5000111.9T30 R31 S47 I48 A55T30-N51 PolarHBondContact OG1-O 3.47Å; R31-N51 PolarHBondContact O-OD1 3.48Å; S47-N51 WeakPolarHBondContact O-CB 3.17Å; S47-N51 PolarHBondContact O-N 3.26Å; S47-N51 PolarHBondContact O-ND2 2.61Å; S47-N51 PolarHBondContact OG-ND2 3.08Å; I48-N51 PolarHBondContact O-N 2.84Å; N51-A55 PolarHBondContact O-N 2.78Å
52F98.2Very high97Very high4 Ų430.8 Ų30.82%0.01816%0.159CC..Hα-helixtrans-73.1-36.8178.8-70.7-88.2000111.8F32 I48 I54 A55 Q56 C62 V86 F91 W93F32-F52 HydrophobicContact CB-CD2 4.43Å; F32-F52 HydrophobicContact CB-CE2 3.61Å; F32-F52 HydrophobicContact CB-CZ 4.27Å; F32-F52 HydrophobicContact CD1-CE2 4.32Å; F32-F52 HydrophobicContact CG-CE2 4.25Å; I48-F52 HydrophobicContact CB-CD2 4.43Å; I48-F52 HydrophobicContact CG2-CD2 3.76Å; I48-F52 HydrophobicContact CG2-CE2 4.16Å; I48-F52 WeakPolarHBondContact O-CB 3.28Å; I48-F52 WeakPolarHBondContact O-CD2 3.39Å; I48-F52 PolarHBondContact O-N 3.18Å; F52-I54 VanDerWaalsContact C-N 3.34Å; F52-I54 PolarHBondContact O-N 3.13Å; F52-A55 PolarHBondContact O-N 2.99Å; F52-Q56 WeakPolarHBondContact O-CG 3.15Å; F52-Q56 PolarHBondContact O-N 3.27Å; F52-C62 HydrophobicContact CD1-CB 3.72Å; F52-C62 VanDerWaalsContact CD1-SG 3.57Å; F52-C62 HydrophobicContact CE1-CB 4.05Å; F52-C62 HydrophobicContact CG-CB 4.23Å; F52-V86 HydrophobicContact CE1-CG1 4.25Å; F52-V86 HydrophobicContact CE2-CG1 3.88Å; F52-V86 HydrophobicContact CZ-CG1 3.71Å; F52-F91 HydrophobicContact CB-CB 3.92Å; F52-F91 HydrophobicContact CB-CD1 3.35Å; F52-F91 HydrophobicContact CB-CD2 4.4Å; F52-F91 HydrophobicContact CB-CE1 3.9Å; F52-F91 HydrophobicContact CB-CG 3.63Å; F52-F91 HydrophobicContact CD1-CB 3.9Å; F52-F91 HydrophobicContact CD2-CB 4.34Å; F52-F91 HydrophobicContact CG-CB 3.81Å; F52-F91 HydrophobicContact CG-CD1 4.21Å; F52-F91 HydrophobicContact CG-CG 4.02Å; F52-W93 HydrophobicContact CE1-CB 3.9Å; F52-W93 HydrophobicContact CZ-CB 4.32Å
53G96.5Very high97Very high8 Ų831 Ų318%0.08216%0.16CC..Hα-helixtrans-64.3-37.2176.300000112.7C49 Q56 D57C49-G53 VanDerWaalsContact O-CA 3.24Å; C49-G53 WeakPolarHBondContact O-CA 3.39Å; C49-G53 PolarHBondContact O-N 3.48Å; G53-Q56 PolarHBondContact O-N 3.44Å; G53-D57 WeakPolarHBondContact O-CB 3.26Å; G53-D57 PolarHBondContact O-N 3.17Å
54I96.6Very high97.2Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-61.7-47.4171.5-79.8167.2000110.8I12 I16 V28 T30 L50 F52 Q56 D57 Y58 L229I12-I54 HydrophobicContact CG2-CD1 3.69Å; I16-I54 HydrophobicContact CD1-CD1 3.94Å; I16-I54 HydrophobicContact CD1-CG1 4.16Å; I16-I54 HydrophobicContact CD1-CG2 3.54Å; V28-I54 HydrophobicContact CG1-CG2 3.67Å; T30-I54 HydrophobicContact CG2-CB 4.39Å; T30-I54 HydrophobicContact CG2-CG2 3.77Å; L50-I54 HydrophobicContact CD1-CD1 3.5Å; L50-I54 HydrophobicContact CD1-CG1 4.16Å; L50-I54 HydrophobicContact CG-CD1 4.12Å; L50-I54 WeakPolarHBondContact O-CB 3.38Å; L50-I54 VanDerWaalsContact O-CG1 3.3Å; L50-I54 WeakPolarHBondContact O-CG1 3.26Å; L50-I54 PolarHBondContact O-N 3.36Å; F52-I54 VanDerWaalsContact C-N 3.34Å; F52-I54 PolarHBondContact O-N 3.13Å; I54-Q56 VanDerWaalsContact C-N 3.29Å; I54-Q56 PolarHBondContact O-N 3.5Å; I54-D57 PolarHBondContact O-N 2.61Å; I54-Y58 HydrophobicContact CG2-CD2 4.18Å; I54-Y58 WeakPolarHBondContact O-CB 3.36Å; I54-Y58 VanDerWaalsContact O-CD2 3.3Å; I54-Y58 WeakPolarHBondContact O-CD2 3.4Å; I54-Y58 PolarHBondContact O-N 3.03Å; I54-Y58 VanDerWaalsContact O-N 3.08Å; I54-L229 HydrophobicContact CD1-CD1 3.49Å; I54-L229 VanDerWaalsContact CD1-CD1 3.49Å
55A96.6Very high97.2Very high8 Ų827.5 Ų27.57%0.06614%0.14CC..Hα-helixtrans-60.6-39.6178.200000112.1N51 F52 K59 G60 C62N51-A55 PolarHBondContact O-N 2.78Å; F52-A55 PolarHBondContact O-N 2.99Å; A55-K59 CarbonylContact O-C 3.54Å; A55-K59 WeakPolarHBondContact O-CA 3.3Å; A55-K59 PolarHBondContact O-N 3.42Å; A55-K59 VanDerWaalsContact O-N 3.08Å; A55-G60 PolarHBondContact O-N 2.89Å; A55-C62 HydrophobicContact CB-CB 3.58Å
56Q95.4Very high97.2Very high111 Ų11127.5 Ų27.552%0.51914%0.14SC..Hα-helixtrans-64-51.2175.5-72.8176.7-15.800112.4F52 G53 I54 Y58 K59F52-Q56 WeakPolarHBondContact O-CG 3.15Å; F52-Q56 PolarHBondContact O-N 3.27Å; G53-Q56 PolarHBondContact O-N 3.44Å; I54-Q56 VanDerWaalsContact C-N 3.29Å; I54-Q56 PolarHBondContact O-N 3.5Å; Q56-Y58 PolarHBondContact O-N 3.23Å; Q56-K59 PolarHBondContact O-N 3.01Å
57D94.4Very high97.1Very high68 Ų6827.2 Ų27.236%0.36414%0.139SC..Hα-helixtrans-66.3-27.5-174.6-68.2-27.5000113.3R13 G53 I54R13-D57 IonicContact CZ-OD2 3.23Å; R13-D57 IonicContact NH1-OD2 3.99Å; R13-D57 PolarHBondContact NH1-OD2 3.44Å; R13-D57 IonicContact NH2-OD2 3.51Å; R13-D57 PolarHBondContact NH2-OD2 3.49Å; G53-D57 WeakPolarHBondContact O-CB 3.26Å; G53-D57 PolarHBondContact O-N 3.17Å; I54-D57 PolarHBondContact O-N 2.61Å
58Y95.9Very high97Very high30 Ų3026.4 Ų26.412%0.11813%0.133CC..THydrogen-bonded Turntrans-104.28.4179.5-69.9-90000113.4R7 R13 I16 D17 L20 V28 I54 Q56 G60R7-Y58 PolarHBondContact NH1-OH 3.06Å; R13-Y58 WeakPolarHBondContact CB-OH 3.48Å; R13-Y58 HydrophobicContact CG-CE2 4.2Å; R13-Y58 PolarHBondContact O-OH 2.82Å; I16-Y58 HydrophobicContact CB-CE1 4.2Å; I16-Y58 HydrophobicContact CB-CE2 4.43Å; I16-Y58 HydrophobicContact CD1-CE2 4.27Å; I16-Y58 HydrophobicContact CG2-CD1 3.59Å; I16-Y58 HydrophobicContact CG2-CD2 4.19Å; I16-Y58 HydrophobicContact CG2-CE1 3.36Å; I16-Y58 HydrophobicContact CG2-CE2 3.99Å; I16-Y58 HydrophobicContact CG2-CG 4Å; D17-Y58 WeakPolarHBondContact OD1-CE1 3.39Å; D17-Y58 PolarHBondContact OD1-OH 3.42Å; L20-Y58 HydrophobicContact CD1-CD1 3.52Å; L20-Y58 HydrophobicContact CD1-CE1 3.92Å; V28-Y58 HydrophobicContact CG2-CD1 4.23Å; V28-Y58 HydrophobicContact CG2-CG 4.04Å; I54-Y58 HydrophobicContact CG2-CD2 4.18Å; I54-Y58 WeakPolarHBondContact O-CB 3.36Å; I54-Y58 VanDerWaalsContact O-CD2 3.3Å; I54-Y58 WeakPolarHBondContact O-CD2 3.4Å; I54-Y58 PolarHBondContact O-N 3.03Å; I54-Y58 VanDerWaalsContact O-N 3.08Å; Q56-Y58 PolarHBondContact O-N 3.23Å; Y58-G60 PolarHBondContact O-N 3.32Å; Y58-G60 VanDerWaalsContact O-N 3.13Å
59K95.8Very high96.7Very high176 Ų17627 Ų2777%0.76514%0.137SC*.THydrogen-bonded Turntrans50.236.3-176.2-55.9178.8-176.9177.70112.2A55 Q56A55-K59 CarbonylContact O-C 3.54Å; A55-K59 WeakPolarHBondContact O-CA 3.3Å; A55-K59 PolarHBondContact O-N 3.42Å; A55-K59 VanDerWaalsContact O-N 3.08Å; Q56-K59 PolarHBondContact O-N 3.01Å
60G97Very high96.3Very high19 Ų1927.8 Ų27.820%0.19614%0.139CC..  trans-97.1-156.4-179.500000112.8V28 A55 Y58V28-G60 CarbonylContact O-C 3.52Å; V28-G60 WeakPolarHBondContact O-CA 3.46Å; A55-G60 PolarHBondContact O-N 2.89Å; Y58-G60 PolarHBondContact O-N 3.32Å; Y58-G60 VanDerWaalsContact O-N 3.13Å
61Q98.3Very high95.8Very high94 Ų9427.9 Ų27.944%0.43914%0.14SC..EExtended strand (participates in β ladder)trans-120.8146.2-179-64.6-176.3-4.900111.3V28 H29 T30 S94V28-Q61 PolarHBondContact O-N 2.91Å; H29-Q61 CarbonylContact C-O 3.58Å; H29-Q61 WeakPolarHBondContact CA-O 3.46Å; H29-Q61 PolarHBondContact CD2-O 3.02Å; H29-Q61 PolarHBondContact CE1-OE1 2.89Å; T30-Q61 PolarHBondContact N-O 2.88Å; T30-Q61 PolarHBondContact OG1-O 2.71Å; Q61-S94 WeakPolarHBondContact CA-OG 3.11Å; Q61-S94 WeakPolarHBondContact CB-OG 3.46Å
62C98.7Very high95.1Very high2 Ų232.1 Ų32.11%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-133.9117170.6-175.30000109.9T30 F52 A55 W93 S94T30-C62 VanDerWaalsContact O-CA 3.31Å; T30-C62 WeakPolarHBondContact O-CA 3.21Å; T30-C62 WeakPolarHBondContact OG1-CB 3.37Å; T30-C62 PolarHBondContact OG1-SG 3.29Å; F52-C62 HydrophobicContact CD1-CB 3.72Å; F52-C62 VanDerWaalsContact CD1-SG 3.57Å; F52-C62 HydrophobicContact CE1-CB 4.05Å; F52-C62 HydrophobicContact CG-CB 4.23Å; A55-C62 HydrophobicContact CB-CB 3.58Å; C62-W93 CarbonylContact O-C 3.46Å; C62-W93 VanDerWaalsContact O-CA 3.3Å; C62-W93 WeakPolarHBondContact O-CA 3.3Å; C62-S94 PolarHBondContact N-OG 3.43Å; C62-S94 PolarHBondContact O-N 3.43Å
63N98.7Very high93.9Very high4 Ų438 Ų382%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-80.4143.6175.5-64.8-6.7000110.5H29 T30 R31 F32 E223H29-N63 VanDerWaalsContact NE2-CG 3.33Å; H29-N63 PolarHBondContact NE2-ND2 2.84Å; H29-N63 PolarHBondContact NE2-OD1 2.99Å; T30-N63 PolarHBondContact O-N 2.85Å; R31-N63 CarbonylContact C-O 3.5Å; R31-N63 VanDerWaalsContact CA-O 3.26Å; R31-N63 WeakPolarHBondContact CA-O 3.42Å; R31-N63 HydrophobicContact CB-CB 4.03Å; F32-N63 PolarHBondContact N-O 3.04Å; N63-E223 PolarHBondContact ND2-OE2 2.8Å
64L98.7Very high93Very high1 Ų138.5 Ų38.51%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-94114.1155.1176.261.9000106.9F32 P34 F66 I82 K83 W93 V97 R98F32-L64 HydrophobicContact CD1-CD1 3.84Å; P34-L64 HydrophobicContact CG-CD1 4.27Å; L64-F66 HydrophobicContact CD2-CE2 4.18Å; L64-F66 HydrophobicContact CD2-CZ 4.17Å; L64-F66 HydrophobicContact CG-CE2 4.29Å; L64-F66 HydrophobicContact CG-CZ 4.45Å; L64-I82 HydrophobicContact CD1-CG2 4.11Å; L64-K83 HydrophobicContact CD2-CG 3.69Å; L64-W93 HydrophobicContact CB-CB 3.71Å; L64-W93 HydrophobicContact CB-CD2 3.81Å; L64-W93 HydrophobicContact CB-CE3 3.94Å; L64-W93 HydrophobicContact CB-CG 3.71Å; L64-W93 HydrophobicContact CD2-CD2 3.88Å; L64-W93 HydrophobicContact CD2-CE3 3.51Å; L64-W93 HydrophobicContact CD2-CH2 4.17Å; L64-W93 HydrophobicContact CD2-CZ2 4.48Å; L64-W93 HydrophobicContact CD2-CZ3 3.66Å; L64-W93 HydrophobicContact CG-CE3 4.35Å; L64-V97 HydrophobicContact CD2-CG2 4.39Å; L64-R98 PolarHBondContact O-N 2.86Å
65R98.5Very high92.1Very high0 Ų041.9 Ų41.90%021%0.21CC..EExtended strand (participates in β ladder)trans-113.3134.8175.7-178.5167.776-141.85109.1F32 P33 P34 R98 S219 D220 E223F32-R65 PolarHBondContact O-N 3.26Å; P33-R65 CarbonylContact C-O 3.59Å; P33-R65 WeakPolarHBondContact CA-O 3.37Å; P33-R65 HydrophobicContact CB-CB 4.29Å; P34-R65 VanDerWaalsContact CD-O 3.23Å; P34-R65 WeakPolarHBondContact CD-O 3.34Å; R65-R98 CarbonylContact C-O 3.57Å; R65-R98 WeakPolarHBondContact CA-O 3.28Å; R65-R98 HydrophobicContact CB-CB 4.13Å; R65-R98 HydrophobicContact CG-CB 4.1Å; R65-S219 VanDerWaalsContact CZ-CB 3.46Å; R65-D220 IonicContact CZ-OD1 2.79Å; R65-D220 VanDerWaalsContact CZ-OD1 3.29Å; R65-D220 IonicContact NH1-OD1 2.94Å; R65-D220 PolarHBondContact NH1-OD1 3.39Å; R65-D220 IonicContact NH2-OD1 3.48Å; R65-D220 PolarHBondContact NH2-OD1 2.88Å; R65-E223 WeakPolarHBondContact CD-OE1 3.48Å; R65-E223 IonicContact NH1-OE1 3.37Å; R65-E223 IonicContact NH1-OE2 3.77Å; R65-E223 PolarHBondContact NH1-OE2 2.99Å
66F97Very high91.7Very high0 Ų046.2 Ų46.20%023%0.231CC..EExtended strand (participates in β ladder)trans-90.6120.3164.6-70.1-73.8000108P34 P36 L64 D68 V79 I82 K83 V97 R98 Y99 S100P34-F66 HydrophobicContact CG-CD1 4.43Å; P34-F66 HydrophobicContact CG-CE1 4.41Å; P34-F66 WeakPolarHBondContact O-CA 3.33Å; P36-F66 HydrophobicContact CB-CD1 3.67Å; P36-F66 HydrophobicContact CB-CE1 4.24Å; P36-F66 HydrophobicContact CB-CG 4.38Å; P36-F66 HydrophobicContact CG-CB 4.12Å; P36-F66 HydrophobicContact CG-CD1 4.13Å; P36-F66 HydrophobicContact CG-CG 4.47Å; L64-F66 HydrophobicContact CD2-CE2 4.18Å; L64-F66 HydrophobicContact CD2-CZ 4.17Å; L64-F66 HydrophobicContact CG-CE2 4.29Å; L64-F66 HydrophobicContact CG-CZ 4.45Å; F66-D68 HydrophobicContact CB-CB 4.46Å; F66-D68 PolarHBondContact O-N 2.76Å; F66-D68 VanDerWaalsContact O-OD1 3.07Å; F66-V79 HydrophobicContact CD1-CG2 4.29Å; F66-V79 HydrophobicContact CD2-CG1 4.25Å; F66-V79 HydrophobicContact CE1-CB 4.31Å; F66-V79 HydrophobicContact CE1-CG1 4.37Å; F66-V79 HydrophobicContact CE1-CG2 4.24Å; F66-V79 HydrophobicContact CE2-CB 4.45Å; F66-V79 HydrophobicContact CE2-CG1 3.66Å; F66-V79 HydrophobicContact CG-CG2 4.42Å; F66-V79 HydrophobicContact CZ-CB 4.11Å; F66-V79 HydrophobicContact CZ-CG1 3.72Å; F66-V79 HydrophobicContact CZ-CG2 4.39Å; F66-V79 WeakPolarHBondContact CZ-O 3.42Å; F66-I82 HydrophobicContact CD1-CD1 4.31Å; F66-I82 HydrophobicContact CE1-CB 3.76Å; F66-I82 HydrophobicContact CE1-CD1 3.69Å; F66-I82 HydrophobicContact CE1-CG1 4.3Å; F66-I82 HydrophobicContact CE1-CG2 3.55Å; F66-I82 HydrophobicContact CZ-CB 4.07Å; F66-I82 HydrophobicContact CZ-CG2 3.78Å; F66-K83 HydrophobicContact CE2-CD 4.37Å; F66-K83 HydrophobicContact CE2-CG 4.32Å; F66-K83 HydrophobicContact CZ-CD 4.44Å; F66-K83 HydrophobicContact CZ-CG 4.09Å; F66-V97 HydrophobicContact CD2-CG1 3.5Å; F66-V97 HydrophobicContact CE2-CG1 3.47Å; F66-V97 VanDerWaalsContact CE2-CG1 3.47Å; F66-R98 PolarHBondContact N-O 3.45Å; F66-Y99 HydrophobicContact CB-CD1 3.74Å; F66-Y99 HydrophobicContact CB-CE1 3.91Å; F66-Y99 HydrophobicContact CD2-CD1 4.13Å; F66-Y99 AromaticContact CD2-CE1 3.53Å; F66-Y99 HydrophobicContact CD2-CE1 3.53Å; F66-Y99 AromaticContact CD2-CZ 3.91Å; F66-Y99 HydrophobicContact CE2-CE1 4.43Å; F66-Y99 HydrophobicContact CG-CD1 4.32Å; F66-Y99 AromaticContact CG-CE1 3.98Å; F66-Y99 HydrophobicContact CG-CE1 3.98Å; F66-S100 PolarHBondContact O-N 3.36Å
67D95.2Very high91.5Very high3 Ų345.5 Ų45.52%0.01623%0.228CC..  trans-81.966.6176.4-152.8-4000109.7P34 E35 T69 S100 Y212 H216P34-D67 PolarHBondContact O-N 2.68Å; E35-D67 HydrophobicContact CG-CB 4.48Å; D67-T69 PolarHBondContact O-N 3.08Å; D67-S100 PolarHBondContact OD1-OG 3Å; D67-Y212 WeakPolarHBondContact OD2-CE2 3.43Å; D67-H216 IonicContact OD2-ND1 3.43Å; D67-H216 PolarHBondContact OD2-ND1 3.39Å
68D93.8Very high91.4Very high0 Ų044.4 Ų44.40%022%0.219CC..  trans-90.465.3-169.567-33.1000111.7P36 F66 E74 Y99 S100 S101 H199 H200 Q201P36-D68 HydrophobicContact CG-CB 3.96Å; F66-D68 HydrophobicContact CB-CB 4.46Å; F66-D68 PolarHBondContact O-N 2.76Å; F66-D68 VanDerWaalsContact O-OD1 3.07Å; D68-E74 VanDerWaalsContact CA-CD 3.45Å; D68-E74 WeakPolarHBondContact CA-OE1 3.35Å; D68-E74 WeakPolarHBondContact CA-OE2 3.34Å; D68-E74 WeakPolarHBondContact CB-OE2 3.46Å; D68-Y99 WeakPolarHBondContact OD2-CD1 3.34Å; D68-S100 WeakPolarHBondContact OD1-CA 3.43Å; D68-S100 PolarHBondContact OD1-N 2.97Å; D68-S101 PolarHBondContact OD1-N 3.12Å; D68-S101 PolarHBondContact OD1-OG 3.32Å; D68-S101 WeakPolarHBondContact OD2-CB 3.45Å; D68-S101 PolarHBondContact OD2-OG 3.16Å; D68-H199 PolarHBondContact O-CE1 3.41Å; D68-H199 PolarHBondContact O-NE2 3.23Å; D68-H199 IonicContact OD2-CE1 2.86Å; D68-H199 PolarHBondContact OD2-CE1 2.94Å; D68-H200 WeakPolarHBondContact CB-NE2 3.45Å; D68-H200 IonicContact OD2-CE1 3.53Å; D68-H200 IonicContact OD2-NE2 3.58Å; D68-H200 PolarHBondContact OD2-NE2 3.13Å; D68-Q201 WeakPolarHBondContact OD2-CG 3.33Å
69T92.5Very high91.3Very high13 Ų1343 Ų438%0.0821%0.213CC..  trans-102.1-4.1179.558.90000113.3D67 P71 E74 F104 P210 T215D67-T69 PolarHBondContact O-N 3.08Å; T69-P71 WeakPolarHBondContact O-CD 3.41Å; T69-E74 PolarHBondContact N-OE1 3.22Å; T69-F104 HydrophobicContact CG2-CE1 4.16Å; T69-P210 HydrophobicContact CG2-CG 4.34Å; T69-T215 HydrophobicContact CG2-CG2 3.49Å; T69-T215 VanDerWaalsContact CG2-CG2 3.49Å
70N90.2Very high91.3Very high34 Ų3439 Ų3918%0.18220%0.198CC..  trans-114.695.6-174.2-169.62.3000111.6V72 K73 E74 R193N70-V72 PolarHBondContact O-N 3.07Å; N70-K73 PolarHBondContact O-N 3.26Å; N70-E74 WeakPolarHBondContact CA-OE1 3.44Å; N70-E74 WeakPolarHBondContact CB-OE1 3.18Å; N70-E74 PolarHBondContact N-OE1 3.16Å; N70-E74 WeakPolarHBondContact O-CG 3.25Å; N70-R193 PolarHBondContact OD1-NH2 3.08Å
71P86Confident91.2Very high10 Ų1039 Ų397%0.06519%0.194CC..THydrogen-bonded Turntrans-61.2-17.3-167.725.5-38000115.3T69 K195 A197 H199 Y209T69-P71 WeakPolarHBondContact O-CD 3.41Å; P71-K195 HydrophobicContact CG-CG 4.1Å; P71-A197 HydrophobicContact CB-CB 3.95Å; P71-A197 HydrophobicContact CG-CB 3.85Å; P71-H199 HydrophobicContact CB-CB 4.23Å; P71-Y209 HydrophobicContact CB-CE1 4.02Å; P71-Y209 HydrophobicContact CB-CE2 4.33Å; P71-Y209 HydrophobicContact CG-CD1 4.2Å; P71-Y209 HydrophobicContact CG-CD2 3.99Å; P71-Y209 HydrophobicContact CG-CE1 3.9Å; P71-Y209 HydrophobicContact CG-CE2 3.66Å; P71-Y209 HydrophobicContact CG-CG 4.23Å
72V82.4Confident91.2Very high90 Ų9034.5 Ų34.555%0.54517%0.173SC..THydrogen-bonded Turntrans-93.5-25.8-171-175.40000113.4N70 K195 A197N70-V72 PolarHBondContact O-N 3.07Å; V72-K195 HydrophobicContact CG2-CG 4.45Å; V72-A197 HydrophobicContact CG2-CB 3.69Å
73K74.8Confident91.2Very high126 Ų12636.4 Ų36.455%0.54818%0.182SC..THydrogen-bonded Turntrans-106.2-0.9-167.4-69.3-169.6178.9178.40113.8N37 N70N37-K73 VanDerWaalsContact CA-O 3.31Å; N37-K73 WeakPolarHBondContact CA-O 3.5Å; N37-K73 HydrophobicContact CB-CB 3.98Å; N37-K73 WeakPolarHBondContact CB-O 3.3Å; N70-K73 PolarHBondContact O-N 3.26Å
74E75.8Confident91.1Very high19 Ų1939.8 Ų39.89%0.08920%0.199CC..  trans-104.9131-164.7-66.1165.8-177.900109.9P36 D68 T69 N70 H199 H200P36-E74 HydrophobicContact CG-CB 4.04Å; P36-E74 HydrophobicContact CG-CG 3.82Å; P36-E74 VanDerWaalsContact O-CA 3.31Å; P36-E74 WeakPolarHBondContact O-CA 3.45Å; D68-E74 VanDerWaalsContact CA-CD 3.45Å; D68-E74 WeakPolarHBondContact CA-OE1 3.35Å; D68-E74 WeakPolarHBondContact CA-OE2 3.34Å; D68-E74 WeakPolarHBondContact CB-OE2 3.46Å; T69-E74 PolarHBondContact N-OE1 3.22Å; N70-E74 WeakPolarHBondContact CA-OE1 3.44Å; N70-E74 WeakPolarHBondContact CB-OE1 3.18Å; N70-E74 PolarHBondContact N-OE1 3.16Å; N70-E74 WeakPolarHBondContact O-CG 3.25Å; E74-H199 IonicContact OE2-NE2 3.35Å; E74-H200 IonicContact OE2-CD2 2.81Å; E74-H200 PolarHBondContact OE2-CD2 3.26Å; E74-H200 IonicContact OE2-NE2 2.67Å; E74-H200 PolarHBondContact OE2-NE2 2.91Å
75D79.2Confident91.1Very high72 Ų7239.7 Ų39.739%0.38520%0.199SC..  trans-133141.9-175.2-161.5-42.5000110.1P36 E77 Y78 V79P36-D75 PolarHBondContact O-N 3.42Å; D75-E77 PolarHBondContact O-N 3.38Å; D75-E77 PolarHBondContact OD1-N 3.21Å; D75-Y78 HydrophobicContact CB-CD2 3.6Å; D75-Y78 HydrophobicContact CB-CE2 3.89Å; D75-Y78 HydrophobicContact CB-CG 4.48Å; D75-Y78 PolarHBondContact O-N 2.68Å; D75-Y78 VanDerWaalsContact O-N 3.08Å; D75-V79 PolarHBondContact O-N 3.48Å
76I87Confident91.1Very high98 Ų9839.7 Ų39.750%0.50320%0.199SC..Hα-helixtrans-59.5-29.1174.8-162.967.9000111.5Y78 V79 E80I76-Y78 VanDerWaalsContact C-N 3.32Å; I76-Y78 PolarHBondContact O-N 3.17Å; I76-V79 HydrophobicContact CD1-CB 4.37Å; I76-V79 HydrophobicContact CD1-CG1 4.41Å; I76-V79 WeakPolarHBondContact O-CB 3.29Å; I76-V79 PolarHBondContact O-N 3.47Å; I76-E80 PolarHBondContact O-N 2.97Å
77E91.3Very high91.2Very high97 Ų9744.1 Ų44.145%0.45322%0.22SC..Hα-helixtrans-58.4-44.9174.1-171.6-17116700111.6Y39 D75 E80 S81Y39-E77 PolarHBondContact OH-OE1 2.99Å; D75-E77 PolarHBondContact O-N 3.38Å; D75-E77 PolarHBondContact OD1-N 3.21Å; E77-E80 PolarHBondContact O-N 3.47Å; E77-S81 WeakPolarHBondContact O-CB 3.31Å; E77-S81 PolarHBondContact O-N 3.48Å
78Y92.7Very high91.3Very high45 Ų4547 Ų4718%0.17623%0.231CC..Hα-helixtrans-69.9-36.7179.7-61.1-50000111.8P36 N37 Y39 D75 I76 S81 I82P36-Y78 WeakPolarHBondContact O-CB 2.94Å; P36-Y78 VanDerWaalsContact O-CD2 3.3Å; P36-Y78 WeakPolarHBondContact O-CD2 3.4Å; N37-Y78 VanDerWaalsContact C-CE2 3.48Å; N37-Y78 VanDerWaalsContact CA-CD2 3.5Å; N37-Y78 WeakPolarHBondContact O-CE2 3.35Å; Y39-Y78 HydrophobicContact CD2-CD1 4.32Å; Y39-Y78 AromaticContact CD2-CE1 3.87Å; Y39-Y78 HydrophobicContact CD2-CE1 3.87Å; Y39-Y78 HydrophobicContact CE2-CD1 4.25Å; Y39-Y78 AromaticContact CE2-CE1 3.59Å; Y39-Y78 HydrophobicContact CE2-CE1 3.59Å; Y39-Y78 HydrophobicContact CG-CE1 4.5Å; Y39-Y78 AromaticContact CZ-CE1 3.98Å; D75-Y78 HydrophobicContact CB-CD2 3.6Å; D75-Y78 HydrophobicContact CB-CE2 3.89Å; D75-Y78 HydrophobicContact CB-CG 4.48Å; D75-Y78 PolarHBondContact O-N 2.68Å; D75-Y78 VanDerWaalsContact O-N 3.08Å; I76-Y78 VanDerWaalsContact C-N 3.32Å; I76-Y78 PolarHBondContact O-N 3.17Å; Y78-S81 PolarHBondContact O-N 3.05Å; Y78-I82 VanDerWaalsContact O-CB 3.3Å; Y78-I82 WeakPolarHBondContact O-CB 3.36Å; Y78-I82 WeakPolarHBondContact O-CD1 3.29Å; Y78-I82 WeakPolarHBondContact O-CG1 3.4Å; Y78-I82 PolarHBondContact O-N 3.41Å
79V93.3Very high91.6Very high0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-56-52.8173.4170.90000110.4P36 F66 D75 I76 I82 K83 Y99P36-V79 HydrophobicContact CB-CG2 3.58Å; P36-V79 HydrophobicContact CG-CG2 4.37Å; F66-V79 HydrophobicContact CD1-CG2 4.29Å; F66-V79 HydrophobicContact CD2-CG1 4.25Å; F66-V79 HydrophobicContact CE1-CB 4.31Å; F66-V79 HydrophobicContact CE1-CG1 4.37Å; F66-V79 HydrophobicContact CE1-CG2 4.24Å; F66-V79 HydrophobicContact CE2-CB 4.45Å; F66-V79 HydrophobicContact CE2-CG1 3.66Å; F66-V79 HydrophobicContact CG-CG2 4.42Å; F66-V79 HydrophobicContact CZ-CB 4.11Å; F66-V79 HydrophobicContact CZ-CG1 3.72Å; F66-V79 HydrophobicContact CZ-CG2 4.39Å; F66-V79 WeakPolarHBondContact CZ-O 3.42Å; D75-V79 PolarHBondContact O-N 3.48Å; I76-V79 HydrophobicContact CD1-CB 4.37Å; I76-V79 HydrophobicContact CD1-CG1 4.41Å; I76-V79 WeakPolarHBondContact O-CB 3.29Å; I76-V79 PolarHBondContact O-N 3.47Å; V79-I82 PolarHBondContact O-N 2.84Å; V79-K83 HydrophobicContact CG1-CD 4.12Å; V79-K83 WeakPolarHBondContact O-CG 3.35Å; V79-K83 PolarHBondContact O-N 3.21Å; V79-K83 VanDerWaalsContact O-N 3.09Å; V79-Y99 HydrophobicContact CG2-CE1 4.5Å
80E96Very high91.8Very high93 Ų9348.1 Ų48.144%0.43524%0.244SC..Hα-helixtrans-69-37.3-178.7-66.9-52.213500112.4I76 E77 I82 K83 N84I76-E80 PolarHBondContact O-N 2.97Å; E77-E80 PolarHBondContact O-N 3.47Å; E80-I82 PolarHBondContact O-N 3.36Å; E80-K83 VanDerWaalsContact CD-NZ 3.26Å; E80-K83 PolarHBondContact O-N 3.25Å; E80-K83 IonicContact OE1-NZ 2.97Å; E80-K83 PolarHBondContact OE1-NZ 3.48Å; E80-K83 IonicContact OE2-NZ 3.03Å; E80-K83 PolarHBondContact OE2-NZ 2.92Å; E80-N84 VanDerWaalsContact O-CB 3.3Å; E80-N84 WeakPolarHBondContact O-CB 3.25Å; E80-N84 PolarHBondContact O-N 2.99Å
81S96.3Very high92.2Very high18 Ų1846.9 Ų46.913%0.12624%0.237CC..Hα-helixtrans-63.2-42.4174.5-173.10000112.3Y39 E77 Y78 N84 D85Y39-S81 WeakPolarHBondContact CD1-OG 3.41Å; E77-S81 WeakPolarHBondContact O-CB 3.31Å; E77-S81 PolarHBondContact O-N 3.48Å; Y78-S81 PolarHBondContact O-N 3.05Å; S81-N84 PolarHBondContact O-N 2.83Å; S81-D85 WeakPolarHBondContact O-CB 3.33Å; S81-D85 VanDerWaalsContact O-CG 3.23Å; S81-D85 PolarHBondContact O-N 2.95Å
82I97.8Very high92.8Very high0 Ų053.1 Ų53.10%027%0.265CS..Hα-helixtrans-62.4-46.5178.6-76.9162.3000110.3P34 L40 L64 F66 Y78 V79 E80 D85 V86P34-I82 HydrophobicContact CB-CD1 4.09Å; P34-I82 HydrophobicContact CG-CD1 4.1Å; P34-I82 HydrophobicContact CG-CG2 3.72Å; L40-I82 HydrophobicContact CD1-CB 4.28Å; L40-I82 HydrophobicContact CD1-CG1 4.04Å; L40-I82 HydrophobicContact CD1-CG2 4.14Å; L40-I82 HydrophobicContact CD2-CG1 3.97Å; L40-I82 HydrophobicContact CG-CG1 3.75Å; L64-I82 HydrophobicContact CD1-CG2 4.11Å; F66-I82 HydrophobicContact CD1-CD1 4.31Å; F66-I82 HydrophobicContact CE1-CB 3.76Å; F66-I82 HydrophobicContact CE1-CD1 3.69Å; F66-I82 HydrophobicContact CE1-CG1 4.3Å; F66-I82 HydrophobicContact CE1-CG2 3.55Å; F66-I82 HydrophobicContact CZ-CB 4.07Å; F66-I82 HydrophobicContact CZ-CG2 3.78Å; Y78-I82 VanDerWaalsContact O-CB 3.3Å; Y78-I82 WeakPolarHBondContact O-CB 3.36Å; Y78-I82 WeakPolarHBondContact O-CD1 3.29Å; Y78-I82 WeakPolarHBondContact O-CG1 3.4Å; Y78-I82 PolarHBondContact O-N 3.41Å; V79-I82 PolarHBondContact O-N 2.84Å; E80-I82 PolarHBondContact O-N 3.36Å; I82-D85 PolarHBondContact O-N 2.77Å; I82-V86 WeakPolarHBondContact O-CG2 3.37Å; I82-V86 PolarHBondContact O-N 3.48Å
83K98.1Very high93.5Very high42 Ų4250.9 Ų50.918%0.18325%0.247CC..Hα-helixtrans-57.8-51.2176.5-75.516466.5-155.90111.1L64 F66 V79 E80 D85 V86 E87 W93 V97L64-K83 HydrophobicContact CD2-CG 3.69Å; F66-K83 HydrophobicContact CE2-CD 4.37Å; F66-K83 HydrophobicContact CE2-CG 4.32Å; F66-K83 HydrophobicContact CZ-CD 4.44Å; F66-K83 HydrophobicContact CZ-CG 4.09Å; V79-K83 HydrophobicContact CG1-CD 4.12Å; V79-K83 WeakPolarHBondContact O-CG 3.35Å; V79-K83 PolarHBondContact O-N 3.21Å; V79-K83 VanDerWaalsContact O-N 3.09Å; E80-K83 VanDerWaalsContact CD-NZ 3.26Å; E80-K83 PolarHBondContact O-N 3.25Å; E80-K83 IonicContact OE1-NZ 2.97Å; E80-K83 PolarHBondContact OE1-NZ 3.48Å; E80-K83 IonicContact OE2-NZ 3.03Å; E80-K83 PolarHBondContact OE2-NZ 2.92Å; K83-D85 VanDerWaalsContact C-N 3.31Å; K83-D85 PolarHBondContact O-N 2.81Å; K83-V86 PolarHBondContact O-N 2.82Å; K83-E87 WeakPolarHBondContact O-CG 3.46Å; K83-E87 PolarHBondContact O-N 3.4Å; K83-W93 HydrophobicContact CB-CH2 3.77Å; K83-W93 HydrophobicContact CB-CZ3 4.27Å; K83-W93 HydrophobicContact CG-CH2 3.76Å; K83-W93 HydrophobicContact CG-CZ2 4.23Å; K83-W93 HydrophobicContact CG-CZ3 4.3Å; K83-V97 HydrophobicContact CD-CG2 4.36Å
84N97.8Very high94.6Very high74 Ų7446.5 Ų46.540%0.39623%0.232SC..Hα-helixtrans-60.9-37.6179.2178.343.6000112.5E80 S81 W88 R298E80-N84 VanDerWaalsContact O-CB 3.3Å; E80-N84 WeakPolarHBondContact O-CB 3.25Å; E80-N84 PolarHBondContact O-N 2.99Å; S81-N84 PolarHBondContact O-N 2.83Å; N84-W88 WeakPolarHBondContact O-CB 3.38Å; N84-W88 PolarHBondContact O-N 3.23Å; N84-R298 PolarHBondContact ND2-NH1 3.23Å; N84-R298 PolarHBondContact ND2-NH2 2.84Å
85D98.5Very high95.6Very high0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-71.5-37.3178.2-75-9.6000112.2L40 S81 I82 K83 L89 I294 R298L40-D85 HydrophobicContact CD1-CB 4.04Å; S81-D85 WeakPolarHBondContact O-CB 3.33Å; S81-D85 VanDerWaalsContact O-CG 3.23Å; S81-D85 PolarHBondContact O-N 2.95Å; I82-D85 PolarHBondContact O-N 2.77Å; K83-D85 VanDerWaalsContact C-N 3.31Å; K83-D85 PolarHBondContact O-N 2.81Å; D85-L89 WeakPolarHBondContact O-CB 3.22Å; D85-L89 WeakPolarHBondContact O-CG 3.17Å; D85-L89 PolarHBondContact O-N 3.26Å; D85-I294 HydrophobicContact CB-CB 4.13Å; D85-I294 HydrophobicContact CB-CD1 4.18Å; D85-I294 HydrophobicContact CB-CG2 3.79Å; D85-R298 IonicContact OD1-CZ 3.39Å; D85-R298 IonicContact OD1-NH1 2.93Å; D85-R298 IonicContact OD1-NH2 3.87Å; D85-R298 PolarHBondContact OD1-NH2 2.87Å
86V98.5Very high96.4Very high0 Ų051.2 Ų51.20%027%0.273CS..Hα-helixtrans-65-47.1173.4171.60000111F32 I48 F52 I82 K83 L89 G90 F91 W93F32-V86 HydrophobicContact CD1-CG2 4.15Å; F32-V86 HydrophobicContact CE1-CG2 4.2Å; I48-V86 HydrophobicContact CD1-CG2 3.95Å; I48-V86 HydrophobicContact CG1-CG2 4.34Å; F52-V86 HydrophobicContact CE1-CG1 4.25Å; F52-V86 HydrophobicContact CE2-CG1 3.88Å; F52-V86 HydrophobicContact CZ-CG1 3.71Å; I82-V86 WeakPolarHBondContact O-CG2 3.37Å; I82-V86 PolarHBondContact O-N 3.48Å; K83-V86 PolarHBondContact O-N 2.82Å; V86-L89 PolarHBondContact O-N 3.32Å; V86-G90 PolarHBondContact O-N 2.77Å; V86-F91 HydrophobicContact CG1-CB 4.09Å; V86-F91 PolarHBondContact O-N 3.44Å; V86-W93 HydrophobicContact CB-CZ3 4.29Å; V86-W93 HydrophobicContact CG1-CE3 4.01Å; V86-W93 HydrophobicContact CG1-CZ3 4.1Å
87E98.3Very high96.9Very high93 Ų9347.9 Ų47.944%0.43526%0.257SS..Hα-helixtrans-64.8-42.4177.4-72.9-177.3159.200111.8K83 L89 G90 F91 W93K83-E87 WeakPolarHBondContact O-CG 3.46Å; K83-E87 PolarHBondContact O-N 3.4Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.45Å; E87-G90 WeakPolarHBondContact O-CA 3.41Å; E87-G90 PolarHBondContact O-N 3.34Å; E87-F91 WeakPolarHBondContact CA-O 3.15Å; E87-W93 HydrophobicContact CG-CH2 3.88Å; E87-W93 HydrophobicContact CG-CZ3 3.84Å; E87-W93 WeakPolarHBondContact OE1-CH2 3.34Å
88W98.1Very high97.2Very high64 Ų6447.9 Ų47.924%0.24225%0.253CS..Hα-helixtrans-62.3-36.6176.7177.378.3000112N84 G90 I294 R298 Y302 A304 I307N84-W88 WeakPolarHBondContact O-CB 3.38Å; N84-W88 PolarHBondContact O-N 3.23Å; W88-G90 PolarHBondContact O-N 3.27Å; W88-G90 VanDerWaalsContact O-N 3.1Å; W88-I294 HydrophobicContact CE3-CG2 3.64Å; W88-I294 HydrophobicContact CZ3-CG2 3.7Å; W88-R298 HydrophobicContact CD2-CB 4.32Å; W88-R298 HydrophobicContact CD2-CG 4.22Å; W88-R298 VanDerWaalsContact CE2-CD 3.49Å; W88-R298 HydrophobicContact CH2-CB 3.91Å; W88-R298 HydrophobicContact CH2-CG 4.49Å; W88-R298 HydrophobicContact CZ2-CB 3.65Å; W88-R298 HydrophobicContact CZ2-CG 3.74Å; W88-R298 HydrophobicContact CZ3-CB 4.36Å; W88-R298 VanDerWaalsContact NE1-CD 3.27Å; W88-Y302 WeakPolarHBondContact CH2-O 3.35Å; W88-Y302 VanDerWaalsContact CZ2-O 3.22Å; W88-Y302 WeakPolarHBondContact CZ2-O 3.28Å; W88-A304 HydrophobicContact CD2-CB 4.47Å; W88-A304 HydrophobicContact CZ2-CB 4.45Å; W88-A304 WeakPolarHBondContact O-CB 3.41Å; W88-I307 HydrophobicContact CH2-CD1 3.83Å; W88-I307 HydrophobicContact CZ3-CD1 3.8Å
89L98.6Very high97.4Very high0 Ų047.4 Ų47.40%025%0.251CS..THydrogen-bonded Turntrans-66.4-3170.9-77.5177.2000113.5A45 I48 D85 V86 E87 F91 I294 I307 R308A45-L89 HydrophobicContact CB-CD1 4.11Å; I48-L89 HydrophobicContact CB-CD1 4.32Å; I48-L89 HydrophobicContact CD1-CD1 3.95Å; I48-L89 HydrophobicContact CG2-CD1 3.95Å; D85-L89 WeakPolarHBondContact O-CB 3.22Å; D85-L89 WeakPolarHBondContact O-CG 3.17Å; D85-L89 PolarHBondContact O-N 3.26Å; V86-L89 PolarHBondContact O-N 3.32Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.45Å; L89-F91 HydrophobicContact CB-CD2 3.84Å; L89-F91 HydrophobicContact CB-CE2 4.14Å; L89-I294 HydrophobicContact CD1-CD1 3.86Å; L89-I307 HydrophobicContact CD2-CB 4.07Å; L89-I307 HydrophobicContact CD2-CD1 4.47Å; L89-I307 HydrophobicContact CD2-CG2 3.82Å; L89-R308 WeakPolarHBondContact O-CD 3.19Å; L89-R308 PolarHBondContact O-NH1 3.25Å
90G97.8Very high97.6Very high36 Ų3647.4 Ų47.437%0.37125%0.251SS..THydrogen-bonded Turntrans85.122.4175.100000114V86 E87 W88V86-G90 PolarHBondContact O-N 2.77Å; E87-G90 WeakPolarHBondContact O-CA 3.41Å; E87-G90 PolarHBondContact O-N 3.34Å; W88-G90 PolarHBondContact O-N 3.27Å; W88-G90 VanDerWaalsContact O-N 3.1Å
91F98.2Very high97.6Very high7 Ų743.1 Ų43.13%0.03123%0.231CC..  trans-112.1150.8178.2-61.3-70.7000111.4I48 C49 F52 V86 E87 L89 R308I48-F91 HydrophobicContact CG2-CD2 3.54Å; I48-F91 HydrophobicContact CG2-CE2 3.91Å; I48-F91 HydrophobicContact CG2-CG 4.37Å; C49-F91 HydrophobicContact CB-CZ 4.35Å; F52-F91 HydrophobicContact CB-CB 3.92Å; F52-F91 HydrophobicContact CB-CD1 3.35Å; F52-F91 HydrophobicContact CB-CD2 4.4Å; F52-F91 HydrophobicContact CB-CE1 3.9Å; F52-F91 HydrophobicContact CB-CG 3.63Å; F52-F91 HydrophobicContact CD1-CB 3.9Å; F52-F91 HydrophobicContact CD2-CB 4.34Å; F52-F91 HydrophobicContact CG-CB 3.81Å; F52-F91 HydrophobicContact CG-CD1 4.21Å; F52-F91 HydrophobicContact CG-CG 4.02Å; V86-F91 HydrophobicContact CG1-CB 4.09Å; V86-F91 PolarHBondContact O-N 3.44Å; E87-F91 WeakPolarHBondContact CA-O 3.15Å; L89-F91 HydrophobicContact CB-CD2 3.84Å; L89-F91 HydrophobicContact CB-CE2 4.14Å; F91-R308 HydrophobicContact CE2-CG 4.13Å; F91-R308 HydrophobicContact CZ-CG 4.18Å
92H97.5Very high97.6Very high141 Ų14146.5 Ų46.565%0.65325%0.248SC*.  trans-129.1135.4175.3-61.6-69000109.1
93W98.1Very high97.6Very high43 Ų4347.5 Ų47.516%0.16325%0.252CS..  trans-81.5156.2175.352.883.3000112.1F52 C62 L64 K83 V86 E87 V97F52-W93 HydrophobicContact CE1-CB 3.9Å; F52-W93 HydrophobicContact CZ-CB 4.32Å; C62-W93 CarbonylContact O-C 3.46Å; C62-W93 VanDerWaalsContact O-CA 3.3Å; C62-W93 WeakPolarHBondContact O-CA 3.3Å; L64-W93 HydrophobicContact CB-CB 3.71Å; L64-W93 HydrophobicContact CB-CD2 3.81Å; L64-W93 HydrophobicContact CB-CE3 3.94Å; L64-W93 HydrophobicContact CB-CG 3.71Å; L64-W93 HydrophobicContact CD2-CD2 3.88Å; L64-W93 HydrophobicContact CD2-CE3 3.51Å; L64-W93 HydrophobicContact CD2-CH2 4.17Å; L64-W93 HydrophobicContact CD2-CZ2 4.48Å; L64-W93 HydrophobicContact CD2-CZ3 3.66Å; L64-W93 HydrophobicContact CG-CE3 4.35Å; K83-W93 HydrophobicContact CB-CH2 3.77Å; K83-W93 HydrophobicContact CB-CZ3 4.27Å; K83-W93 HydrophobicContact CG-CH2 3.76Å; K83-W93 HydrophobicContact CG-CZ2 4.23Å; K83-W93 HydrophobicContact CG-CZ3 4.3Å; V86-W93 HydrophobicContact CB-CZ3 4.29Å; V86-W93 HydrophobicContact CG1-CE3 4.01Å; V86-W93 HydrophobicContact CG1-CZ3 4.1Å; E87-W93 HydrophobicContact CG-CH2 3.88Å; E87-W93 HydrophobicContact CG-CZ3 3.84Å; E87-W93 WeakPolarHBondContact OE1-CH2 3.34Å; W93-V97 HydrophobicContact CD2-CG2 4.49Å; W93-V97 HydrophobicContact CZ2-CG2 3.89Å
94S97.8Very high97.6Very high34 Ų3445.6 Ų45.624%0.23824%0.244CC..SBendtrans-81.2123.2179.5-58.90000110.8Q61 C62Q61-S94 WeakPolarHBondContact CA-OG 3.11Å; Q61-S94 WeakPolarHBondContact CB-OG 3.46Å; C62-S94 PolarHBondContact N-OG 3.43Å; C62-S94 PolarHBondContact O-N 3.43Å
95G96.4Very high97.6Very high62 Ų6245.8 Ų45.864%0.63925%0.245SC*.SBendtrans67.4-146.2177.800000113.3
96N96.5Very high97.6Very high129 Ų12949.5 Ų49.569%0.6926%0.262SS*.SBendtrans-79.9150.3178.5-64.6-27.3000111.1
97V97.2Very high97.6Very high28 Ų2849.5 Ų49.517%0.1726%0.262CS..  trans-52.7140.4164.3173.90000109.2L64 F66 K83 W93 Y99L64-V97 HydrophobicContact CD2-CG2 4.39Å; F66-V97 HydrophobicContact CD2-CG1 3.5Å; F66-V97 HydrophobicContact CE2-CG1 3.47Å; F66-V97 VanDerWaalsContact CE2-CG1 3.47Å; K83-V97 HydrophobicContact CD-CG2 4.36Å; W93-V97 HydrophobicContact CD2-CG2 4.49Å; W93-V97 HydrophobicContact CZ2-CG2 3.89Å; V97-Y99 HydrophobicContact CB-CE2 4.49Å; V97-Y99 HydrophobicContact CG1-CD2 4.47Å; V97-Y99 HydrophobicContact CG1-CE2 3.79Å
98R97.7Very high97.6Very high97 Ų9745.7 Ų45.737%0.36624%0.244SC..EExtended strand (participates in β ladder)trans-107.4148.7177.8-54-59.1-177.61633.6110.7L64 R65 F66 E223L64-R98 PolarHBondContact O-N 2.86Å; R65-R98 CarbonylContact C-O 3.57Å; R65-R98 WeakPolarHBondContact CA-O 3.28Å; R65-R98 HydrophobicContact CB-CB 4.13Å; R65-R98 HydrophobicContact CG-CB 4.1Å; F66-R98 PolarHBondContact N-O 3.45Å; R98-E223 WeakPolarHBondContact CB-OE1 3.32Å
99Y96.8Very high97.6Very high34 Ų3445.2 Ų45.213%0.13325%0.254CS..EExtended strand (participates in β ladder)trans-123.6131.1171.6-65.6-86.6000108.1F66 D68 V79 V97 S101 D102 Q201F66-Y99 HydrophobicContact CB-CD1 3.74Å; F66-Y99 HydrophobicContact CB-CE1 3.91Å; F66-Y99 HydrophobicContact CD2-CD1 4.13Å; F66-Y99 AromaticContact CD2-CE1 3.53Å; F66-Y99 HydrophobicContact CD2-CE1 3.53Å; F66-Y99 AromaticContact CD2-CZ 3.91Å; F66-Y99 HydrophobicContact CE2-CE1 4.43Å; F66-Y99 HydrophobicContact CG-CD1 4.32Å; F66-Y99 AromaticContact CG-CE1 3.98Å; F66-Y99 HydrophobicContact CG-CE1 3.98Å; D68-Y99 WeakPolarHBondContact OD2-CD1 3.34Å; V79-Y99 HydrophobicContact CG2-CE1 4.5Å; V97-Y99 HydrophobicContact CB-CE2 4.49Å; V97-Y99 HydrophobicContact CG1-CD2 4.47Å; V97-Y99 HydrophobicContact CG1-CE2 3.79Å; Y99-S101 PolarHBondContact O-N 2.84Å; Y99-D102 WeakPolarHBondContact O-CB 3.31Å; Y99-D102 PolarHBondContact O-N 2.76Å; Y99-D102 VanDerWaalsContact O-N 3.12Å; Y99-Q201 HydrophobicContact CD1-CG 3.99Å; Y99-Q201 HydrophobicContact CE1-CG 4.49Å; Y99-Q201 HydrophobicContact CG-CG 4.15Å; Y99-Q201 VanDerWaalsContact CZ-NE2 3.31Å
100S97Very high97.6Very high0 Ų046.7 Ų46.70%026%0.26CS..G310 helixtrans-57.3-30.4172.5-73.40000111.2F66 D67 D68 D102 Y103F66-S100 PolarHBondContact O-N 3.36Å; D67-S100 PolarHBondContact OD1-OG 3Å; D68-S100 WeakPolarHBondContact OD1-CA 3.43Å; D68-S100 PolarHBondContact OD1-N 2.97Å; S100-D102 VanDerWaalsContact C-N 3.29Å; S100-D102 PolarHBondContact O-N 2.95Å; S100-Y103 WeakPolarHBondContact O-CB 3.48Å; S100-Y103 PolarHBondContact O-N 3.45Å; S100-Y103 VanDerWaalsContact O-N 3.08Å
101S95.8Very high97.7Very high3 Ų345 Ų452%0.02124%0.242CC..G310 helixtrans-66.4-23.7177.367.40000114.9D68 Y99 Y103 F104 H199 Q201D68-S101 PolarHBondContact OD1-N 3.12Å; D68-S101 PolarHBondContact OD1-OG 3.32Å; D68-S101 WeakPolarHBondContact OD2-CB 3.45Å; D68-S101 PolarHBondContact OD2-OG 3.16Å; Y99-S101 PolarHBondContact O-N 2.84Å; S101-Y103 PolarHBondContact O-N 2.85Å; S101-F104 WeakPolarHBondContact O-CG 3.32Å; S101-F104 PolarHBondContact O-N 2.87Å; S101-H199 VanDerWaalsContact CB-CE1 3.43Å; S101-H199 WeakPolarHBondContact CB-CE1 3.37Å; S101-Q201 WeakPolarHBondContact OG-CB 3.33Å; S101-Q201 WeakPolarHBondContact OG-CG 3.41Å
102D96.8Very high97.7Very high89 Ų8947.2 Ų47.248%0.47625%0.254SS..G310 helixtrans-64.5-18.2171.8-70.6-28.6000111.9Y99 S100Y99-D102 WeakPolarHBondContact O-CB 3.31Å; Y99-D102 PolarHBondContact O-N 2.76Å; Y99-D102 VanDerWaalsContact O-N 3.12Å; S100-D102 VanDerWaalsContact C-N 3.29Å; S100-D102 PolarHBondContact O-N 2.95Å
103Y97.8Very high97.8Very high22 Ų2242.2 Ų42.29%0.08623%0.231CC..G310 helixtrans-100.35.6-178.6-47-42.7000113.4S100 S101 D105 Q106 L107 L222 E223S100-Y103 WeakPolarHBondContact O-CB 3.48Å; S100-Y103 PolarHBondContact O-N 3.45Å; S100-Y103 VanDerWaalsContact O-N 3.08Å; S101-Y103 PolarHBondContact O-N 2.85Å; Y103-D105 VanDerWaalsContact C-N 3.29Å; Y103-D105 PolarHBondContact O-N 3.22Å; Y103-Q106 PolarHBondContact O-N 2.93Å; Y103-Q106 VanDerWaalsContact O-N 3.11Å; Y103-L107 WeakPolarHBondContact O-CB 3.36Å; Y103-L107 VanDerWaalsContact O-CG 3.3Å; Y103-L107 WeakPolarHBondContact O-CG 3.47Å; Y103-L107 PolarHBondContact O-N 3.31Å; Y103-L222 HydrophobicContact CD1-CD1 4.06Å; Y103-L222 HydrophobicContact CD2-CD1 4.38Å; Y103-L222 HydrophobicContact CG-CD1 3.82Å; Y103-E223 HydrophobicContact CE2-CG 4.36Å; Y103-E223 VanDerWaalsContact CE2-OE1 3.3Å; Y103-E223 WeakPolarHBondContact CE2-OE1 3.28Å; Y103-E223 VanDerWaalsContact OH-CG 3.28Å; Y103-E223 WeakPolarHBondContact OH-CG 3.35Å; Y103-E223 PolarHBondContact OH-OE1 2.86Å
104F98.2Very high97.8Very high2 Ų240.2 Ų40.21%0.00922%0.223CC..Hα-helixtrans-58-36.9-176.8-75.5-10.1000113.7T69 S101 L107 H108 H199 T202 W206 Y209 P210T69-F104 HydrophobicContact CG2-CE1 4.16Å; S101-F104 WeakPolarHBondContact O-CG 3.32Å; S101-F104 PolarHBondContact O-N 2.87Å; F104-L107 HydrophobicContact CD1-CD1 4.02Å; F104-L107 PolarHBondContact O-N 2.93Å; F104-H108 VanDerWaalsContact O-CB 3.3Å; F104-H108 WeakPolarHBondContact O-CB 3.4Å; F104-H108 PolarHBondContact O-N 3.24Å; F104-H199 AromaticContact CZ-NE2 3.96Å; F104-T202 HydrophobicContact CD2-CG2 4.09Å; F104-T202 HydrophobicContact CE2-CG2 4.34Å; F104-W206 HydrophobicContact CB-CD2 4.39Å; F104-W206 HydrophobicContact CB-CZ2 3.72Å; F104-W206 AromaticContact CD2-CD1 3.6Å; F104-W206 HydrophobicContact CD2-CG 4.13Å; F104-W206 AromaticContact CD2-NE1 3.68Å; F104-Y209 HydrophobicContact CE2-CD1 4.04Å; F104-Y209 AromaticContact CE2-CE1 3.98Å; F104-Y209 HydrophobicContact CE2-CE1 3.98Å; F104-Y209 HydrophobicContact CZ-CD1 4.04Å; F104-Y209 HydrophobicContact CZ-CE1 4.37Å; F104-P210 HydrophobicContact CD1-CG 4.03Å; F104-P210 HydrophobicContact CE1-CG 3.82Å
105D98.1Very high97.9Very high78 Ų7838.6 Ų38.642%0.41721%0.212SC..Hα-helixtrans-64.1-44.5176.4-69-57.9000111.3Y103 H108 A109 K205 W206Y103-D105 VanDerWaalsContact C-N 3.29Å; Y103-D105 PolarHBondContact O-N 3.22Å; D105-H108 PolarHBondContact O-N 2.81Å; D105-A109 PolarHBondContact O-N 3.31Å; D105-K205 IonicContact OD1-NZ 2.88Å; D105-K205 PolarHBondContact OD1-NZ 3.35Å; D105-K205 IonicContact OD2-NZ 3.7Å; D105-K205 PolarHBondContact OD2-NZ 2.75Å; D105-W206 VanDerWaalsContact OD1-CZ2 3.29Å; D105-W206 WeakPolarHBondContact OD1-CZ2 3.37Å
106Q98.1Very high98Very high77 Ų7739.8 Ų39.836%0.3620%0.204SC..Hα-helixtrans-66.1-44.8176.6-66.789-35.600111.4Y103 H108 A109 Y110 L222Y103-Q106 PolarHBondContact O-N 2.93Å; Y103-Q106 VanDerWaalsContact O-N 3.11Å; Q106-H108 VanDerWaalsContact C-N 3.27Å; Q106-H108 PolarHBondContact O-N 2.78Å; Q106-A109 WeakPolarHBondContact O-CB 3.21Å; Q106-A109 PolarHBondContact O-N 3.03Å; Q106-A109 VanDerWaalsContact O-N 3.13Å; Q106-Y110 HydrophobicContact CB-CD2 4.5Å; Q106-Y110 HydrophobicContact CB-CE2 4.23Å; Q106-Y110 WeakPolarHBondContact O-CD2 3.35Å; Q106-Y110 PolarHBondContact O-N 2.98Å; Q106-L222 HydrophobicContact CB-CD1 4.08Å; Q106-L222 HydrophobicContact CG-CD1 4.39Å
107L98.5Very high98.1Very high0 Ų038.4 Ų38.40%019%0.191CC..Hα-helixtrans-58.2-42.3176.5-71.2164.3000110.9Y103 F104 Y110 A111 Y192 P210 F214 T215 I218Y103-L107 WeakPolarHBondContact O-CB 3.36Å; Y103-L107 VanDerWaalsContact O-CG 3.3Å; Y103-L107 WeakPolarHBondContact O-CG 3.47Å; Y103-L107 PolarHBondContact O-N 3.31Å; F104-L107 HydrophobicContact CD1-CD1 4.02Å; F104-L107 PolarHBondContact O-N 2.93Å; L107-Y110 PolarHBondContact O-N 3.47Å; L107-A111 PolarHBondContact O-N 2.9Å; L107-Y192 WeakPolarHBondContact CB-OH 3.32Å; L107-Y192 PolarHBondContact O-OH 3.5Å; L107-P210 HydrophobicContact CD1-CG 4.02Å; L107-F214 HydrophobicContact CB-CE1 4.39Å; L107-F214 HydrophobicContact CD2-CD1 4.26Å; L107-F214 HydrophobicContact CD2-CE1 4.24Å; L107-F214 WeakPolarHBondContact O-CE1 3.18Å; L107-T215 HydrophobicContact CD1-CG2 3.95Å; L107-I218 HydrophobicContact CD2-CB 3.63Å; L107-I218 HydrophobicContact CD2-CD1 3.66Å; L107-I218 HydrophobicContact CD2-CG1 4.18Å; L107-I218 HydrophobicContact CD2-CG2 3.62Å; L107-I218 HydrophobicContact CG-CG2 4.4Å
108H98.6Very high98.1Very high13 Ų1338.3 Ų38.36%0.0620%0.196CC..Hα-helixtrans-65.1-41.7176.2179.6-98.2000111.9F104 D105 Q106 Y110 A111 I112 F158 Y192 W206F104-H108 VanDerWaalsContact O-CB 3.3Å; F104-H108 WeakPolarHBondContact O-CB 3.4Å; F104-H108 PolarHBondContact O-N 3.24Å; D105-H108 PolarHBondContact O-N 2.81Å; Q106-H108 VanDerWaalsContact C-N 3.27Å; Q106-H108 PolarHBondContact O-N 2.78Å; H108-Y110 PolarHBondContact O-N 3.01Å; H108-A111 WeakPolarHBondContact O-CB 3.39Å; H108-A111 PolarHBondContact O-N 2.72Å; H108-I112 WeakPolarHBondContact CE1-CD1 3.48Å; H108-I112 PolarHBondContact O-N 3.31Å; H108-F158 AromaticContact CD2-CE1 3.5Å; H108-F158 VanDerWaalsContact CD2-CE1 3.5Å; H108-F158 WeakPolarHBondContact CD2-CE1 3.38Å; H108-F158 AromaticContact CD2-CZ 3.85Å; H108-F158 AromaticContact NE2-CE1 3.48Å; H108-F158 WeakPolarHBondContact NE2-CE1 3.37Å; H108-Y192 WeakPolarHBondContact CA-OH 3.37Å; H108-Y192 PolarHBondContact N-OH 3Å; H108-Y192 VanDerWaalsContact N-OH 3.09Å; H108-W206 HydrophobicContact CB-CH2 3.72Å; H108-W206 HydrophobicContact CB-CZ3 3.91Å; H108-W206 AromaticContact CG-CZ3 3.93Å
109A98.6Very high98.2Very high54 Ų5435.6 Ų35.645%0.44619%0.188SC..Hα-helixtrans-61.9-41.6175.800000112.4D105 Q106 A111 I112 E113D105-A109 PolarHBondContact O-N 3.31Å; Q106-A109 WeakPolarHBondContact O-CB 3.21Å; Q106-A109 PolarHBondContact O-N 3.03Å; Q106-A109 VanDerWaalsContact O-N 3.13Å; A109-A111 VanDerWaalsContact C-N 3.35Å; A109-A111 PolarHBondContact O-N 3.19Å; A109-I112 WeakPolarHBondContact O-CB 3.33Å; A109-I112 PolarHBondContact O-N 2.8Å; A109-E113 PolarHBondContact O-N 2.68Å
110Y98.7Very high98.3Very high32 Ų3234 Ų3413%0.12518%0.182CC..Hα-helixtrans-66.8-34.2175.3-70-50.4000112.9Q106 L107 H108 E113 L114 I218 L222 I248 T249 I250Q106-Y110 HydrophobicContact CB-CD2 4.5Å; Q106-Y110 HydrophobicContact CB-CE2 4.23Å; Q106-Y110 WeakPolarHBondContact O-CD2 3.35Å; Q106-Y110 PolarHBondContact O-N 2.98Å; L107-Y110 PolarHBondContact O-N 3.47Å; H108-Y110 PolarHBondContact O-N 3.01Å; Y110-E113 WeakPolarHBondContact O-CB 3.36Å; Y110-E113 PolarHBondContact O-N 2.86Å; Y110-L114 WeakPolarHBondContact O-CG 3.33Å; Y110-L114 PolarHBondContact O-N 3.5Å; Y110-I218 HydrophobicContact CD2-CD1 4.06Å; Y110-I218 HydrophobicContact CD2-CG2 3.71Å; Y110-I218 HydrophobicContact CE2-CG2 3.76Å; Y110-I218 HydrophobicContact CG-CD1 4.39Å; Y110-L222 HydrophobicContact CE2-CD2 4.5Å; Y110-I248 HydrophobicContact CD1-CB 3.79Å; Y110-I248 HydrophobicContact CD1-CD1 4.07Å; Y110-I248 HydrophobicContact CD1-CG1 4.27Å; Y110-I248 HydrophobicContact CD1-CG2 4.34Å; Y110-I248 HydrophobicContact CD2-CD1 4.24Å; Y110-I248 HydrophobicContact CE1-CB 4.35Å; Y110-I248 HydrophobicContact CE1-CD1 4.38Å; Y110-I248 HydrophobicContact CG-CB 4.33Å; Y110-I248 HydrophobicContact CG-CD1 4Å; Y110-T249 WeakPolarHBondContact CE1-O 2.84Å; Y110-T249 PolarHBondContact OH-O 3.29Å; Y110-I250 HydrophobicContact CE1-CB 4.49Å; Y110-I250 HydrophobicContact CE2-CD1 4.01Å
111A98.8Very high98.4Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-63.6-42.3171.900000111.8L107 H108 A109 E113 L114 I115 F158 L173 Y192 F214L107-A111 PolarHBondContact O-N 2.9Å; H108-A111 WeakPolarHBondContact O-CB 3.39Å; H108-A111 PolarHBondContact O-N 2.72Å; A109-A111 VanDerWaalsContact C-N 3.35Å; A109-A111 PolarHBondContact O-N 3.19Å; A111-E113 VanDerWaalsContact C-N 3.32Å; A111-E113 PolarHBondContact O-N 3.38Å; A111-L114 PolarHBondContact O-N 3.49Å; A111-I115 WeakPolarHBondContact O-CG1 3.42Å; A111-I115 PolarHBondContact O-N 3.37Å; A111-F158 HydrophobicContact CB-CE1 3.94Å; A111-F158 HydrophobicContact CB-CZ 3.99Å; A111-L173 HydrophobicContact CB-CD2 3.74Å; A111-Y192 HydrophobicContact CB-CD2 4.17Å; A111-Y192 HydrophobicContact CB-CE2 3.74Å; A111-F214 HydrophobicContact CB-CE1 4.19Å; A111-F214 HydrophobicContact CB-CZ 4.16Å
112I98.8Very high98.5Very high54 Ų5433.8 Ų33.828%0.27718%0.181SC..Hα-helixtrans-60.3-42172.6-71.9168.3000111.1H108 A109 L114 I115 N116 L155 F158H108-I112 WeakPolarHBondContact CE1-CD1 3.48Å; H108-I112 PolarHBondContact O-N 3.31Å; A109-I112 WeakPolarHBondContact O-CB 3.33Å; A109-I112 PolarHBondContact O-N 2.8Å; I112-L114 PolarHBondContact O-N 3.03Å; I112-I115 PolarHBondContact O-N 2.97Å; I112-N116 WeakPolarHBondContact CG2-ND2 3.3Å; I112-N116 PolarHBondContact O-N 3.17Å; I112-N116 PolarHBondContact O-ND2 3.44Å; I112-N116 VanDerWaalsContact O-ND2 3.12Å; I112-L155 HydrophobicContact CG2-CD2 3.97Å; I112-F158 HydrophobicContact CG1-CD1 4.4Å; I112-F158 HydrophobicContact CG1-CE1 4.44Å
113E98.8Very high98.6Very high36 Ų3629.6 Ų29.617%0.16816%0.158CC..Hα-helixtrans-58.9-46.1176.2-172.3-174.8163.400111.7A109 Y110 A111 I115 N116 K117 T249A109-E113 PolarHBondContact O-N 2.68Å; Y110-E113 WeakPolarHBondContact O-CB 3.36Å; Y110-E113 PolarHBondContact O-N 2.86Å; A111-E113 VanDerWaalsContact C-N 3.32Å; A111-E113 PolarHBondContact O-N 3.38Å; E113-I115 VanDerWaalsContact C-N 3.34Å; E113-I115 PolarHBondContact O-N 2.86Å; E113-N116 PolarHBondContact O-N 3.07Å; E113-K117 HydrophobicContact CG-CD 4.41Å; E113-K117 WeakPolarHBondContact O-CG 3.49Å; E113-K117 PolarHBondContact O-N 2.88Å; E113-K117 WeakPolarHBondContact OE1-CE 3.24Å; E113-K117 IonicContact OE1-NZ 2.72Å; E113-K117 PolarHBondContact OE1-NZ 2.86Å; E113-T249 VanDerWaalsContact CD-N 3.31Å; E113-T249 WeakPolarHBondContact OE1-CB 3.43Å; E113-T249 PolarHBondContact OE1-N 2.77Å; E113-T249 PolarHBondContact OE1-OG1 3.45Å; E113-T249 PolarHBondContact OE2-N 3.01Å
114L98.9Very high98.6Very high0 Ų031.2 Ų31.20%017%0.167CC..Hα-helixtrans-61.7-40.7176.2-69.6176.1000112Y110 A111 I112 K117 G118 L119 A120 L191 F214 W243 N247 I248Y110-L114 WeakPolarHBondContact O-CG 3.33Å; Y110-L114 PolarHBondContact O-N 3.5Å; A111-L114 PolarHBondContact O-N 3.49Å; I112-L114 PolarHBondContact O-N 3.03Å; L114-K117 PolarHBondContact O-N 2.9Å; L114-G118 PolarHBondContact O-N 3.21Å; L114-L119 HydrophobicContact CB-CB 4.44Å; L114-L119 HydrophobicContact CD2-CB 4.09Å; L114-L119 HydrophobicContact CD2-CD1 4.23Å; L114-L119 WeakPolarHBondContact O-CA 3.16Å; L114-L119 PolarHBondContact O-N 2.75Å; L114-A120 HydrophobicContact CB-CB 3.84Å; L114-A120 PolarHBondContact O-N 3.32Å; L114-L191 HydrophobicContact CD1-CD1 3.85Å; L114-F214 HydrophobicContact CD1-CE2 3.71Å; L114-F214 HydrophobicContact CD1-CZ 4.3Å; L114-W243 HydrophobicContact CD1-CH2 4.47Å; L114-W243 HydrophobicContact CD1-CZ3 4.29Å; L114-W243 HydrophobicContact CD2-CH2 4.19Å; L114-W243 HydrophobicContact CD2-CZ3 4.49Å; L114-N247 HydrophobicContact CD2-CB 3.83Å; L114-N247 WeakPolarHBondContact CD2-O 3.47Å; L114-I248 HydrophobicContact CD1-CG2 4.22Å; L114-I248 HydrophobicContact CD2-CG2 3.81Å; L114-I248 HydrophobicContact CG-CG2 3.85Å
115I98.9Very high98.6Very high0 Ų031.6 Ų31.60%017%0.169CC..Hα-helixtrans-61.2-46.6174.8-65.3166.4000110.3A111 I112 E113 K117 G118 A120 V151 N154 L155 F158 L173A111-I115 WeakPolarHBondContact O-CG1 3.42Å; A111-I115 PolarHBondContact O-N 3.37Å; I112-I115 PolarHBondContact O-N 2.97Å; E113-I115 VanDerWaalsContact C-N 3.34Å; E113-I115 PolarHBondContact O-N 2.86Å; I115-K117 VanDerWaalsContact C-N 3.26Å; I115-K117 PolarHBondContact O-N 3.48Å; I115-G118 WeakPolarHBondContact O-CA 3.42Å; I115-G118 PolarHBondContact O-N 2.9Å; I115-A120 HydrophobicContact CG1-CB 3.98Å; I115-V151 HydrophobicContact CG2-CG1 4.42Å; I115-N154 HydrophobicContact CG2-CB 3.57Å; I115-L155 HydrophobicContact CB-CD2 4.14Å; I115-L155 HydrophobicContact CD1-CD2 4.42Å; I115-L155 HydrophobicContact CG2-CD2 3.76Å; I115-L155 HydrophobicContact CG2-CG 3.77Å; I115-F158 HydrophobicContact CD1-CB 3.91Å; I115-F158 HydrophobicContact CD1-CD1 3.71Å; I115-F158 HydrophobicContact CD1-CE1 4.43Å; I115-F158 HydrophobicContact CD1-CG 3.88Å; I115-L173 HydrophobicContact CD1-CD1 3.71Å; I115-L173 HydrophobicContact CD1-CD2 4.28Å; I115-L173 HydrophobicContact CG1-CD1 3.9Å
116N98.8Very high98.5Very high88 Ų8830.2 Ų30.247%0.47116%0.163SC..Hα-helixtrans-60.8-33.4178.5-78.5-45.9000113.1I112 E113 G118I112-N116 WeakPolarHBondContact CG2-ND2 3.3Å; I112-N116 PolarHBondContact O-N 3.17Å; I112-N116 PolarHBondContact O-ND2 3.44Å; I112-N116 VanDerWaalsContact O-ND2 3.12Å; E113-N116 PolarHBondContact O-N 3.07Å; N116-G118 PolarHBondContact O-N 3.33Å
117K98.6Very high98.4Very high100 Ų10030 Ų3044%0.43517%0.169SC..THydrogen-bonded Turntrans-78.8-2.9174.2-67.5177.2-176.2175.40113.5E113 L114 I115 L119 N247E113-K117 HydrophobicContact CG-CD 4.41Å; E113-K117 WeakPolarHBondContact O-CG 3.49Å; E113-K117 PolarHBondContact O-N 2.88Å; E113-K117 WeakPolarHBondContact OE1-CE 3.24Å; E113-K117 IonicContact OE1-NZ 2.72Å; E113-K117 PolarHBondContact OE1-NZ 2.86Å; L114-K117 PolarHBondContact O-N 2.9Å; I115-K117 VanDerWaalsContact C-N 3.26Å; I115-K117 PolarHBondContact O-N 3.48Å; K117-L119 HydrophobicContact CB-CB 4.43Å; K117-L119 HydrophobicContact CB-CD1 3.87Å; K117-L119 HydrophobicContact CB-CG 3.89Å; K117-L119 HydrophobicContact CD-CD1 4.16Å; K117-L119 PolarHBondContact O-N 2.69Å; K117-N247 PolarHBondContact NZ-O 2.71Å
118G98.5Very high98.2Very high26 Ų2636.3 Ų36.327%0.26820%0.198SC..THydrogen-bonded Turntrans71.616.1-173.800000114L114 I115 N116 K176L114-G118 PolarHBondContact O-N 3.21Å; I115-G118 WeakPolarHBondContact O-CA 3.42Å; I115-G118 PolarHBondContact O-N 2.9Å; N116-G118 PolarHBondContact O-N 3.33Å; G118-K176 WeakPolarHBondContact O-CD 3.31Å
119L98.8Very high98.2Very high39 Ų3939.4 Ų39.420%0.20421%0.213CC..  trans-98.22.3-176.3-63.2177.3000113.4L114 K117 A175 K176 W243 N247L114-L119 HydrophobicContact CB-CB 4.44Å; L114-L119 HydrophobicContact CD2-CB 4.09Å; L114-L119 HydrophobicContact CD2-CD1 4.23Å; L114-L119 WeakPolarHBondContact O-CA 3.16Å; L114-L119 PolarHBondContact O-N 2.75Å; K117-L119 HydrophobicContact CB-CB 4.43Å; K117-L119 HydrophobicContact CB-CD1 3.87Å; K117-L119 HydrophobicContact CB-CG 3.89Å; K117-L119 HydrophobicContact CD-CD1 4.16Å; K117-L119 PolarHBondContact O-N 2.69Å; L119-A175 CarbonylContact O-C 3.53Å; L119-K176 PolarHBondContact O-N 2.57Å; L119-W243 HydrophobicContact CB-CH2 4.24Å; L119-W243 HydrophobicContact CB-CZ2 4.21Å; L119-N247 HydrophobicContact CD1-CB 3.79Å; L119-N247 WeakPolarHBondContact CD1-OD1 3.05Å
120A98.9Very high98.1Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-144.8153.2170.400000110.4L114 I115 L173 R174 L191L114-A120 HydrophobicContact CB-CB 3.84Å; L114-A120 PolarHBondContact O-N 3.32Å; I115-A120 HydrophobicContact CG1-CB 3.98Å; A120-L173 HydrophobicContact CB-CD1 4.2Å; A120-L173 HydrophobicContact CB-CD2 4.44Å; A120-L173 HydrophobicContact CB-CG 4.3Å; A120-R174 CarbonylContact C-O 3.57Å; A120-R174 WeakPolarHBondContact CA-O 3.36Å; A120-R174 WeakPolarHBondContact CB-O 3.31Å; A120-L191 HydrophobicContact CB-CD1 4.27Å
121Y98.9Very high98Very high0 Ų045.8 Ų45.80%023%0.226CC..EExtended strand (participates in β ladder)trans-147.6152.4-179.672.6-81.1000111.2D123 Y146 R147 N154 R174 K176 D188Y121-D123 HydrophobicContact CD2-CB 4.32Å; Y121-D123 HydrophobicContact CE2-CB 3.7Å; Y121-D123 WeakPolarHBondContact CE2-OD2 3.31Å; Y121-D123 PolarHBondContact OH-OD2 3.1Å; Y121-Y146 WeakPolarHBondContact CD2-O 3.5Å; Y121-R147 HydrophobicContact CD1-CG 4.19Å; Y121-R147 HydrophobicContact CE1-CB 4.42Å; Y121-R147 HydrophobicContact CE1-CG 3.82Å; Y121-R147 HydrophobicContact CE2-CB 4.2Å; Y121-R147 HydrophobicContact CE2-CG 4.47Å; Y121-N154 VanDerWaalsContact CA-OD1 3.31Å; Y121-N154 WeakPolarHBondContact CA-OD1 3.15Å; Y121-R174 HydrophobicContact CD1-CB 4.4Å; Y121-R174 HydrophobicContact CE1-CB 3.88Å; Y121-R174 PolarHBondContact N-O 3.36Å; Y121-R174 PolarHBondContact O-N 3.27Å; Y121-R174 PolarHBondContact OH-NH1 2.83Å; Y121-K176 HydrophobicContact CD1-CB 4.11Å; Y121-D188 HydrophobicContact CE1-CB 4.38Å
122V98.9Very high97.9Very high0 Ų051.5 Ų51.50%025%0.253CS..EExtended strand (participates in β ladder)trans-82.5126.5174.4177.40000109.2R149 N154 L157 F158 M161 A171 C172 L173V122-R149 PolarHBondContact O-NH1 3.38Å; V122-N154 PolarHBondContact N-OD1 3.02Å; V122-L157 HydrophobicContact CB-CB 4.02Å; V122-L157 HydrophobicContact CB-CD1 4.22Å; V122-L157 HydrophobicContact CG1-CB 4.02Å; V122-L157 HydrophobicContact CG1-CD1 4.34Å; V122-L157 HydrophobicContact CG2-CB 3.87Å; V122-F158 HydrophobicContact CG2-CB 4.03Å; V122-M161 HydrophobicContact CG1-SD 3.74Å; V122-M161 HydrophobicContact CG2-SD 4.01Å; V122-A171 HydrophobicContact CG1-CB 4.26Å; V122-C172 WeakPolarHBondContact CA-O 3.44Å; V122-L173 HydrophobicContact CG2-CD1 4.03Å
123D98.7Very high97.8Very high0 Ų051.1 Ų51.10%025%0.248CC..EExtended strand (participates in β ladder)trans-114128.1-180-156.1-27.4000109.8Y121 L125 S144 Y146 A171 C172 R174Y121-D123 HydrophobicContact CD2-CB 4.32Å; Y121-D123 HydrophobicContact CE2-CB 3.7Å; Y121-D123 WeakPolarHBondContact CE2-OD2 3.31Å; Y121-D123 PolarHBondContact OH-OD2 3.1Å; D123-L125 WeakPolarHBondContact OD1-CB 3.44Å; D123-L125 VanDerWaalsContact OD1-CG 3.27Å; D123-L125 WeakPolarHBondContact OD1-CG 3.2Å; D123-L125 PolarHBondContact OD1-N 3.05Å; D123-S144 PolarHBondContact OD1-OG 2.87Å; D123-S144 WeakPolarHBondContact OD2-CB 3.37Å; D123-S144 PolarHBondContact OD2-OG 3.09Å; D123-Y146 WeakPolarHBondContact OD1-CD2 3.1Å; D123-A171 CarbonylContact O-C 3.56Å; D123-A171 WeakPolarHBondContact O-CA 3.31Å; D123-C172 PolarHBondContact N-O 3.49Å; D123-C172 PolarHBondContact O-N 2.99Å; D123-R174 VanDerWaalsContact CB-CD 3.47Å; D123-R174 HydrophobicContact CB-CG 4.04Å; D123-R174 WeakPolarHBondContact OD2-CD 3.48Å; D123-R174 IonicContact OD2-CZ 3.65Å; D123-R174 IonicContact OD2-NE 2.82Å; D123-R174 IonicContact OD2-NH1 3.48Å; D123-R174 PolarHBondContact OD2-NH1 2.79Å
124E98.4Very high97.8Very high57 Ų5752.3 Ų52.327%0.26625%0.251SS..  trans-105.57.6179.1-67.6176.211500112.5Y146 R149 F166 K170 A171E124-Y146 HydrophobicContact CB-CD2 4.32Å; E124-Y146 HydrophobicContact CB-CE1 4.4Å; E124-Y146 HydrophobicContact CB-CE2 3.88Å; E124-R149 IonicContact OE2-CZ 2.76Å; E124-R149 IonicContact OE2-NH1 2.68Å; E124-R149 PolarHBondContact OE2-NH1 3.34Å; E124-R149 IonicContact OE2-NH2 3.89Å; E124-R149 PolarHBondContact OE2-NH2 3.39Å; E124-F166 WeakPolarHBondContact OE1-CE1 3.33Å; E124-K170 WeakPolarHBondContact CA-O 3.31Å; E124-A171 HydrophobicContact CG-CB 4.24Å
125L97.9Very high97.6Very high9 Ų953.4 Ų53.45%0.04726%0.263CS..SBendtrans-62.3143.2167.2-69.6-179.9000110.5D123 Q129 I130 Y133 S144 Y146D123-L125 WeakPolarHBondContact OD1-CB 3.44Å; D123-L125 VanDerWaalsContact OD1-CG 3.27Å; D123-L125 WeakPolarHBondContact OD1-CG 3.2Å; D123-L125 PolarHBondContact OD1-N 3.05Å; L125-Q129 HydrophobicContact CB-CB 3.94Å; L125-Q129 HydrophobicContact CD2-CB 4.1Å; L125-Q129 HydrophobicContact CG-CB 4.42Å; L125-I130 HydrophobicContact CB-CG1 3.78Å; L125-Y133 HydrophobicContact CD1-CD1 3.83Å; L125-Y133 HydrophobicContact CD1-CD2 4.1Å; L125-Y133 HydrophobicContact CD1-CE1 4.07Å; L125-Y133 HydrophobicContact CD1-CE2 4.27Å; L125-Y133 HydrophobicContact CD1-CG 3.85Å; L125-S144 WeakPolarHBondContact CD1-OG 3.41Å; L125-Y146 HydrophobicContact CD2-CE2 4.18Å; L125-Y146 HydrophobicContact CG-CD2 4.26Å; L125-Y146 HydrophobicContact CG-CE2 4.12Å
126T96.3Very high97.4Very high49 Ų4956.3 Ų56.330%0.30128%0.28SS..  trans-66.2160.1174.181.10000111E128 Q129 I130T126-E128 WeakPolarHBondContact CB-OE2 3.33Å; T126-E128 PolarHBondContact O-N 3.31Å; T126-E128 PolarHBondContact OG1-N 2.87Å; T126-E128 PolarHBondContact OG1-OE2 3.29Å; T126-Q129 CarbonylContact O-C 3.6Å; T126-Q129 WeakPolarHBondContact O-CB 3.27Å; T126-Q129 PolarHBondContact O-N 3.43Å; T126-Q129 PolarHBondContact OG1-N 3.4Å; T126-I130 WeakPolarHBondContact O-CG1 3.48Å; T126-I130 PolarHBondContact O-N 3.05Å
127P94.7Very high97Very high73 Ų7358.8 Ų58.847%0.47429%0.293SS..Hα-helixtrans-52.8-37.5175.9-28.836.9000114.1R131P127-R131 WeakPolarHBondContact O-CB 3.08Å; P127-R131 PolarHBondContact O-N 3.36Å
128E95.8Very high96.7Very high133 Ų13360.2 Ų60.262%0.62131%0.31SS*.Hα-helixtrans-67.4-43.4176.9-59.469.4-148.700111.3T126 R131 E132T126-E128 WeakPolarHBondContact CB-OE2 3.33Å; T126-E128 PolarHBondContact O-N 3.31Å; T126-E128 PolarHBondContact OG1-N 2.87Å; T126-E128 PolarHBondContact OG1-OE2 3.29Å; E128-R131 WeakPolarHBondContact O-CB 3.47Å; E128-R131 PolarHBondContact O-N 3.45Å; E128-E132 PolarHBondContact O-N 2.9Å
129Q97.6Very high96.5Very high77 Ų7765 Ų6536%0.3633%0.325SS..Hα-helixtrans-65.7-43175.4-69.5175.1-33.800111.1L125 T126 R131 E132 Y133L125-Q129 HydrophobicContact CB-CB 3.94Å; L125-Q129 HydrophobicContact CD2-CB 4.1Å; L125-Q129 HydrophobicContact CG-CB 4.42Å; T126-Q129 CarbonylContact O-C 3.6Å; T126-Q129 WeakPolarHBondContact O-CB 3.27Å; T126-Q129 PolarHBondContact O-N 3.43Å; T126-Q129 PolarHBondContact OG1-N 3.4Å; Q129-R131 VanDerWaalsContact C-N 3.27Å; Q129-R131 PolarHBondContact O-N 3.03Å; Q129-E132 WeakPolarHBondContact O-CB 3.5Å; Q129-E132 PolarHBondContact O-N 3.29Å; Q129-E132 VanDerWaalsContact O-N 3.15Å; Q129-Y133 WeakPolarHBondContact O-CB 3.3Å; Q129-Y133 WeakPolarHBondContact O-CD2 3.44Å; Q129-Y133 PolarHBondContact O-N 3.28Å
130I97.2Very high96.3Very high15 Ų1567.4 Ų67.48%0.07734%0.344CS..Hα-helixtrans-57.3-44174.5-68.5171.2000110.1L125 T126 Y133 R134L125-I130 HydrophobicContact CB-CG1 3.78Å; T126-I130 WeakPolarHBondContact O-CG1 3.48Å; T126-I130 PolarHBondContact O-N 3.05Å; I130-Y133 PolarHBondContact O-N 3.49Å; I130-R134 HydrophobicContact CG2-CG 4.4Å; I130-R134 WeakPolarHBondContact O-CB 3.29Å; I130-R134 VanDerWaalsContact O-CG 3.29Å; I130-R134 WeakPolarHBondContact O-CG 3.36Å; I130-R134 PolarHBondContact O-N 2.9Å
131R95.6Very high96.2Very high205 Ų20568.1 Ų68.177%0.77435%0.351SS*.Hα-helixtrans-61-44.5176.4-176.5-179.8178.5-178.9-0.1112P127 E128 Q129P127-R131 WeakPolarHBondContact O-CB 3.08Å; P127-R131 PolarHBondContact O-N 3.36Å; E128-R131 WeakPolarHBondContact O-CB 3.47Å; E128-R131 PolarHBondContact O-N 3.45Å; Q129-R131 VanDerWaalsContact C-N 3.27Å; Q129-R131 PolarHBondContact O-N 3.03Å
132E96.7Very high96.2Very high120 Ų12072.6 Ų72.656%0.56137%0.37SS*.Hα-helixtrans-61.3-48175.2-173.2-154.7130.500111.3E128 Q129 R134 G135 K142E128-E132 PolarHBondContact O-N 2.9Å; Q129-E132 WeakPolarHBondContact O-CB 3.5Å; Q129-E132 PolarHBondContact O-N 3.29Å; Q129-E132 VanDerWaalsContact O-N 3.15Å; E132-R134 VanDerWaalsContact C-N 3.28Å; E132-R134 PolarHBondContact O-N 2.93Å; E132-G135 PolarHBondContact O-N 3.43Å; E132-K142 IonicContact OE1-NZ 3.98Å; E132-K142 PolarHBondContact OE1-NZ 3.3Å
133Y97.8Very high96.1Very high46 Ų4676.4 Ų76.418%0.1839%0.391CS..Hα-helixtrans-67.9-27.9-176.8-83.9-118.8000112.5L125 Q129 I130 G135 G141 K142 P145 M179L125-Y133 HydrophobicContact CD1-CD1 3.83Å; L125-Y133 HydrophobicContact CD1-CD2 4.1Å; L125-Y133 HydrophobicContact CD1-CE1 4.07Å; L125-Y133 HydrophobicContact CD1-CE2 4.27Å; L125-Y133 HydrophobicContact CD1-CG 3.85Å; Q129-Y133 WeakPolarHBondContact O-CB 3.3Å; Q129-Y133 WeakPolarHBondContact O-CD2 3.44Å; Q129-Y133 PolarHBondContact O-N 3.28Å; I130-Y133 PolarHBondContact O-N 3.49Å; Y133-G135 PolarHBondContact O-N 2.88Å; Y133-G141 CarbonylContact O-C 3.52Å; Y133-G141 WeakPolarHBondContact O-CA 3.44Å; Y133-K142 HydrophobicContact CD1-CD 3.95Å; Y133-K142 HydrophobicContact CD1-CG 3.58Å; Y133-K142 HydrophobicContact CE1-CD 3.98Å; Y133-K142 HydrophobicContact CE1-CG 4.08Å; Y133-K142 VanDerWaalsContact CE2-CE 3.46Å; Y133-K142 HydrophobicContact CG-CD 4.25Å; Y133-K142 VanDerWaalsContact CG-CE 3.46Å; Y133-K142 HydrophobicContact CG-CG 3.92Å; Y133-K142 PolarHBondContact O-N 3.42Å; Y133-P145 HydrophobicContact CE1-CG 4.45Å; Y133-M179 WeakPolarHBondContact O-CE 3.47Å
134R97.3Very high96.1Very high61 Ų6176.6 Ų76.623%0.2339%0.392CS..THydrogen-bonded Turntrans-70.6-12.3172.2-74177.778.5-171.65.1113.4I130 E132 M179 I184 R187I130-R134 HydrophobicContact CG2-CG 4.4Å; I130-R134 WeakPolarHBondContact O-CB 3.29Å; I130-R134 VanDerWaalsContact O-CG 3.29Å; I130-R134 WeakPolarHBondContact O-CG 3.36Å; I130-R134 PolarHBondContact O-N 2.9Å; E132-R134 VanDerWaalsContact C-N 3.28Å; E132-R134 PolarHBondContact O-N 2.93Å; R134-M179 HydrophobicContact CG-CE 4.09Å; R134-I184 PolarHBondContact NH2-O 2.69Å; R134-R187 HydrophobicContact CG-CB 4.32Å; R134-R187 PolarHBondContact NE-O 2.72Å; R134-R187 VanDerWaalsContact NE-O 3.14Å; R134-R187 WeakPolarHBondContact O-CD 3.14Å; R134-R187 PolarHBondContact O-NH1 2.97Å
135G95.5Very high96.1Very high24 Ų2478.1 Ų78.125%0.24741%0.407CS..  trans67.6-153.617800000113.3E132 Y133E132-G135 PolarHBondContact O-N 3.43Å; Y133-G135 PolarHBondContact O-N 2.88Å
136T94.2Very high96.2Very high60 Ų6081.2 Ų81.237%0.36842%0.419SS..  trans-128.8-178.9-177.572.10000111.2T138 Q139 R187T136-T138 PolarHBondContact O-N 3Å; T136-T138 PolarHBondContact OG1-N 3.17Å; T136-T138 VanDerWaalsContact OG1-N 3.16Å; T136-T138 PolarHBondContact OG1-OG1 3.08Å; T136-T138 VanDerWaalsContact OG1-OG1 3.13Å; T136-Q139 PolarHBondContact N-O 3.22Å; T136-Q139 PolarHBondContact O-N 2.87Å; T136-Q139 PolarHBondContact OG1-N 3.25Å; T136-R187 PolarHBondContact O-NH1 3.29Å; T136-R187 PolarHBondContact O-NH2 2.94Å
137L90.5Very high96.3Very high141 Ų14180.2 Ų80.274%0.73841%0.409SS*.SBendtrans-62.7-21.9171.9-66.2172.4000113I184L137-I184 HydrophobicContact CD2-CD1 3.58Å; L137-I184 HydrophobicContact CD2-CG1 4.02Å; L137-I184 HydrophobicContact CG-CD1 3.92Å
138T92.5Very high96.4Very high129 Ų12982.8 Ų82.879%0.79142%0.419SS*.SBendtrans-107.7-13.9-178.854.80000113.8T136T136-T138 PolarHBondContact O-N 3Å; T136-T138 PolarHBondContact OG1-N 3.17Å; T136-T138 VanDerWaalsContact OG1-N 3.16Å; T136-T138 PolarHBondContact OG1-OG1 3.08Å; T136-T138 VanDerWaalsContact OG1-OG1 3.13Å
139Q94.2Very high96.6Very high126 Ų12678 Ų7859%0.58940%0.395SS*.SBendtrans-123.1126.4179.7-65.51801.700110.1T136 R187T136-Q139 PolarHBondContact N-O 3.22Å; T136-Q139 PolarHBondContact O-N 2.87Å; T136-Q139 PolarHBondContact OG1-N 3.25Å; Q139-R187 PolarHBondContact O-NH1 3.24Å
140P95.2Very high96.6Very high91 Ų9176.9 Ų76.959%0.59140%0.396SS*.  trans-62.4153.7177.628-34.3000110.8A180P140-A180 HydrophobicContact CB-CB 4.4Å
141G97.1Very high96.7Very high15 Ų1578.2 Ų78.216%0.15541%0.405CS..  trans-74.4167172.600000112.2Y133 M179Y133-G141 CarbonylContact O-C 3.52Å; Y133-G141 WeakPolarHBondContact O-CA 3.44Å; G141-M179 VanDerWaalsContact CA-O 3.22Å; G141-M179 WeakPolarHBondContact CA-O 3.1Å; G141-M179 PolarHBondContact N-O 2.84Å
142K97.5Very high96.8Very high94 Ų9474.9 Ų74.941%0.40940%0.398SS..  trans-120.9143.417558.5178.4176.6-176.10110E132 Y133 S144 M179E132-K142 IonicContact OE1-NZ 3.98Å; E132-K142 PolarHBondContact OE1-NZ 3.3Å; Y133-K142 HydrophobicContact CD1-CD 3.95Å; Y133-K142 HydrophobicContact CD1-CG 3.58Å; Y133-K142 HydrophobicContact CE1-CD 3.98Å; Y133-K142 HydrophobicContact CE1-CG 4.08Å; Y133-K142 VanDerWaalsContact CE2-CE 3.46Å; Y133-K142 HydrophobicContact CG-CD 4.25Å; Y133-K142 VanDerWaalsContact CG-CE 3.46Å; Y133-K142 HydrophobicContact CG-CG 3.92Å; Y133-K142 PolarHBondContact O-N 3.42Å; K142-S144 PolarHBondContact O-N 3.17Å; K142-M179 WeakPolarHBondContact O-CE 3.44Å
143N98.4Very high96.9Very high79 Ų7973.3 Ų73.342%0.42239%0.391SS..  trans-58.5139.5179.8-70.9-9.9000111.2R147 M179N143-R147 HydrophobicContact CB-CB 4.34Å; N143-R147 VanDerWaalsContact OD1-CD 3.31Å; N143-R147 WeakPolarHBondContact OD1-CD 3.15Å; N143-R147 PolarHBondContact OD1-NE 3.48Å; N143-M179 WeakPolarHBondContact OD1-CG 3.48Å
144S98.4Very high97Very high4 Ų471.3 Ų71.33%0.02838%0.383CS..  trans-61.1144.5167174.50000109.8D123 L125 K142 Y146 R147D123-S144 PolarHBondContact OD1-OG 2.87Å; D123-S144 WeakPolarHBondContact OD2-CB 3.37Å; D123-S144 PolarHBondContact OD2-OG 3.09Å; L125-S144 WeakPolarHBondContact CD1-OG 3.41Å; K142-S144 PolarHBondContact O-N 3.17Å; S144-Y146 PolarHBondContact O-N 3.04Å; S144-Y146 VanDerWaalsContact O-N 3.08Å; S144-Y146 WeakPolarHBondContact OG-CD2 3.32Å; S144-Y146 PolarHBondContact OG-N 3.4Å; S144-R147 WeakPolarHBondContact O-CB 3.2Å; S144-R147 PolarHBondContact O-N 3.28Å
145P98.3Very high97Very high90 Ų9071 Ų7158%0.58439%0.386SS*.THydrogen-bonded Turntrans-56.9-23.1172.3-22.834.5000113Y133Y133-P145 HydrophobicContact CE1-CG 4.45Å
146Y98.5Very high97.2Very high74 Ų7473 Ų7329%0.2940%0.399SS..THydrogen-bonded Turntrans-91.1-1.4-179.7-50.6-70.8000113.5Y121 D123 E124 L125 S144 D148 R149Y121-Y146 WeakPolarHBondContact CD2-O 3.5Å; D123-Y146 WeakPolarHBondContact OD1-CD2 3.1Å; E124-Y146 HydrophobicContact CB-CD2 4.32Å; E124-Y146 HydrophobicContact CB-CE1 4.4Å; E124-Y146 HydrophobicContact CB-CE2 3.88Å; L125-Y146 HydrophobicContact CD2-CE2 4.18Å; L125-Y146 HydrophobicContact CG-CD2 4.26Å; L125-Y146 HydrophobicContact CG-CE2 4.12Å; S144-Y146 PolarHBondContact O-N 3.04Å; S144-Y146 VanDerWaalsContact O-N 3.08Å; S144-Y146 WeakPolarHBondContact OG-CD2 3.32Å; S144-Y146 PolarHBondContact OG-N 3.4Å; Y146-D148 VanDerWaalsContact C-N 3.27Å; Y146-D148 PolarHBondContact O-N 3.19Å; Y146-R149 VanDerWaalsContact CD1-CZ 3.41Å; Y146-R149 VanDerWaalsContact O-CG 3.26Å; Y146-R149 WeakPolarHBondContact O-CG 3.47Å; Y146-R149 PolarHBondContact O-N 3.01Å
147R98.6Very high97.4Very high28 Ų2871.3 Ų71.311%0.10639%0.388CS..THydrogen-bonded Turntrans-61.7-34.4-172.5-165-179.7-162.4-98.12.1112.7Y121 N143 S144 K176 I177 D188Y121-R147 HydrophobicContact CD1-CG 4.19Å; Y121-R147 HydrophobicContact CE1-CB 4.42Å; Y121-R147 HydrophobicContact CE1-CG 3.82Å; Y121-R147 HydrophobicContact CE2-CB 4.2Å; Y121-R147 HydrophobicContact CE2-CG 4.47Å; N143-R147 HydrophobicContact CB-CB 4.34Å; N143-R147 VanDerWaalsContact OD1-CD 3.31Å; N143-R147 WeakPolarHBondContact OD1-CD 3.15Å; N143-R147 PolarHBondContact OD1-NE 3.48Å; S144-R147 WeakPolarHBondContact O-CB 3.2Å; S144-R147 PolarHBondContact O-N 3.28Å; R147-K176 HydrophobicContact CG-CD 4.46Å; R147-K176 HydrophobicContact CG-CG 4.3Å; R147-K176 WeakPolarHBondContact O-CE 3.2Å; R147-K176 PolarHBondContact O-NZ 3.45Å; R147-I177 PolarHBondContact NH2-O 2.89Å; R147-D188 IonicContact CZ-OD1 2.64Å; R147-D188 IonicContact CZ-OD2 3.54Å; R147-D188 IonicContact NE-OD1 3.27Å; R147-D188 IonicContact NE-OD2 3.8Å; R147-D188 PolarHBondContact NE-OD2 2.72Å; R147-D188 IonicContact NH2-OD1 2.68Å; R147-D188 PolarHBondContact NH2-OD1 2.86Å; R147-D188 IonicContact NH2-OD2 3.08Å; R147-D188 PolarHBondContact NH2-OD2 3.14Å
148D98.2Very high97.8Very high126 Ų12664.7 Ų64.767%0.67435%0.354SS*.THydrogen-bonded Turntrans-98.319.6-173.5-60.1-41.4000114Y146Y146-D148 VanDerWaalsContact C-N 3.27Å; Y146-D148 PolarHBondContact O-N 3.19Å
149R98.4Very high98.1Very high32 Ų3262.9 Ų62.912%0.12134%0.336CS..  trans-52.8145.5169.2-79.2177.3156.6150.81.4112V122 E124 Y146 E153 N154V122-R149 PolarHBondContact O-NH1 3.38Å; E124-R149 IonicContact OE2-CZ 2.76Å; E124-R149 IonicContact OE2-NH1 2.68Å; E124-R149 PolarHBondContact OE2-NH1 3.34Å; E124-R149 IonicContact OE2-NH2 3.89Å; E124-R149 PolarHBondContact OE2-NH2 3.39Å; Y146-R149 VanDerWaalsContact CD1-CZ 3.41Å; Y146-R149 VanDerWaalsContact O-CG 3.26Å; Y146-R149 WeakPolarHBondContact O-CG 3.47Å; Y146-R149 PolarHBondContact O-N 3.01Å; R149-E153 HydrophobicContact CG-CG 4.47Å; R149-E153 IonicContact CZ-OE1 2.8Å; R149-E153 IonicContact NE-OE1 3.48Å; R149-E153 PolarHBondContact NE-OE1 3.15Å; R149-E153 IonicContact NH2-OE1 3.63Å; R149-N154 WeakPolarHBondContact CB-ND2 3.43Å; R149-N154 PolarHBondContact O-ND2 3.36Å; R149-N154 VanDerWaalsContact O-ND2 3.15Å
150S98.6Very high98.3Very high55 Ų5561.7 Ų61.739%0.38533%0.329SS..  trans-68.1162175.384.50000111.5E152 E153 N154S150-E152 VanDerWaalsContact C-N 3.27Å; S150-E152 WeakPolarHBondContact CB-OE2 3.43Å; S150-E152 PolarHBondContact O-N 3.34Å; S150-E152 PolarHBondContact OG-N 2.83Å; S150-E152 PolarHBondContact OG-OE2 2.81Å; S150-E153 PolarHBondContact O-N 3.31Å; S150-E153 PolarHBondContact OG-N 3.34Å; S150-N154 PolarHBondContact O-N 2.93Å; S150-N154 PolarHBondContact O-ND2 3.34Å
151V98.7Very high98.4Very high42 Ų4257.3 Ų57.326%0.25530%0.301SS..Hα-helixtrans-58.2-44.5176173.20000110.3I115 E153 N154 L155I115-V151 HydrophobicContact CG2-CG1 4.42Å; V151-E153 PolarHBondContact O-N 2.82Å; V151-N154 PolarHBondContact O-N 3.35Å; V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.36Å; V151-L155 WeakPolarHBondContact O-CG 3.45Å; V151-L155 PolarHBondContact O-N 3.42Å
152E98.7Very high98.4Very high135 Ų13561 Ų6163%0.63131%0.31SS*.Hα-helixtrans-63-43.9-178.8-58.475.7-164.500112S150 L155 A156S150-E152 VanDerWaalsContact C-N 3.27Å; S150-E152 WeakPolarHBondContact CB-OE2 3.43Å; S150-E152 PolarHBondContact O-N 3.34Å; S150-E152 PolarHBondContact OG-N 2.83Å; S150-E152 PolarHBondContact OG-OE2 2.81Å; E152-L155 PolarHBondContact O-N 3.09Å; E152-A156 WeakPolarHBondContact O-CB 3.46Å; E152-A156 PolarHBondContact O-N 2.9Å
153E98.7Very high98.4Very high88 Ų8860.3 Ų60.341%0.41132%0.321SS..Hα-helixtrans-63.9-45177.2-172.4-176.2162.400110.8R149 S150 V151 L155 A156 L157R149-E153 HydrophobicContact CG-CG 4.47Å; R149-E153 IonicContact CZ-OE1 2.8Å; R149-E153 IonicContact NE-OE1 3.48Å; R149-E153 PolarHBondContact NE-OE1 3.15Å; R149-E153 IonicContact NH2-OE1 3.63Å; S150-E153 PolarHBondContact O-N 3.31Å; S150-E153 PolarHBondContact OG-N 3.34Å; V151-E153 PolarHBondContact O-N 2.82Å; E153-L155 PolarHBondContact O-N 3.42Å; E153-A156 PolarHBondContact O-N 2.77Å; E153-L157 HydrophobicContact CG-CD1 3.89Å; E153-L157 HydrophobicContact CG-CG 4.4Å; E153-L157 WeakPolarHBondContact O-CB 3.44Å; E153-L157 VanDerWaalsContact O-CG 3.26Å; E153-L157 WeakPolarHBondContact O-CG 3.23Å; E153-L157 PolarHBondContact O-N 3.1Å
154N98.9Very high98.4Very high4 Ų457.9 Ų57.92%0.02132%0.315CS..Hα-helixtrans-62.8-42.7178.7-75.2-53.4000112.4I115 Y121 V122 R149 S150 V151 L157 F158I115-N154 HydrophobicContact CG2-CB 3.57Å; Y121-N154 VanDerWaalsContact CA-OD1 3.31Å; Y121-N154 WeakPolarHBondContact CA-OD1 3.15Å; V122-N154 PolarHBondContact N-OD1 3.02Å; R149-N154 WeakPolarHBondContact CB-ND2 3.43Å; R149-N154 PolarHBondContact O-ND2 3.36Å; R149-N154 VanDerWaalsContact O-ND2 3.15Å; S150-N154 PolarHBondContact O-N 2.93Å; S150-N154 PolarHBondContact O-ND2 3.34Å; V151-N154 PolarHBondContact O-N 3.35Å; N154-L157 PolarHBondContact O-N 2.97Å; N154-F158 VanDerWaalsContact O-CB 3.25Å; N154-F158 WeakPolarHBondContact O-CB 3.14Å; N154-F158 PolarHBondContact O-N 2.8Å
155L98.8Very high98.3Very high54 Ų5459.6 Ų59.628%0.28333%0.334SS..Hα-helixtrans-62-45.6176.2-72.4172.2000111.6I112 I115 V151 E152 E153 L157 F158 E159I112-L155 HydrophobicContact CG2-CD2 3.97Å; I115-L155 HydrophobicContact CB-CD2 4.14Å; I115-L155 HydrophobicContact CD1-CD2 4.42Å; I115-L155 HydrophobicContact CG2-CD2 3.76Å; I115-L155 HydrophobicContact CG2-CG 3.77Å; V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.36Å; V151-L155 WeakPolarHBondContact O-CG 3.45Å; V151-L155 PolarHBondContact O-N 3.42Å; E152-L155 PolarHBondContact O-N 3.09Å; E153-L155 PolarHBondContact O-N 3.42Å; L155-L157 PolarHBondContact O-N 2.89Å; L155-F158 PolarHBondContact O-N 2.78Å; L155-E159 WeakPolarHBondContact O-CB 3.41Å; L155-E159 PolarHBondContact O-N 3.46Å
156A98.7Very high98.2Very high65 Ų6556.6 Ų56.654%0.53731%0.311SS..Hα-helixtrans-62.9-42.5178.900000111.9E152 E153 K160E152-A156 WeakPolarHBondContact O-CB 3.46Å; E152-A156 PolarHBondContact O-N 2.9Å; E153-A156 PolarHBondContact O-N 2.77Å; A156-K160 WeakPolarHBondContact O-CB 3.25Å; A156-K160 PolarHBondContact O-N 2.89Å
157L98.7Very high98.2Very high26 Ų2659.4 Ų59.414%0.13633%0.327CS..Hα-helixtrans-68.8-40177.2-68.9171.6000112.1V122 E153 N154 L155 K160 M161 F166V122-L157 HydrophobicContact CB-CB 4.02Å; V122-L157 HydrophobicContact CB-CD1 4.22Å; V122-L157 HydrophobicContact CG1-CB 4.02Å; V122-L157 HydrophobicContact CG1-CD1 4.34Å; V122-L157 HydrophobicContact CG2-CB 3.87Å; E153-L157 HydrophobicContact CG-CD1 3.89Å; E153-L157 HydrophobicContact CG-CG 4.4Å; E153-L157 WeakPolarHBondContact O-CB 3.44Å; E153-L157 VanDerWaalsContact O-CG 3.26Å; E153-L157 WeakPolarHBondContact O-CG 3.23Å; E153-L157 PolarHBondContact O-N 3.1Å; N154-L157 PolarHBondContact O-N 2.97Å; L155-L157 PolarHBondContact O-N 2.89Å; L157-K160 CarbonylContact O-C 3.46Å; L157-K160 WeakPolarHBondContact O-CB 3.3Å; L157-K160 PolarHBondContact O-N 2.86Å; L157-M161 WeakPolarHBondContact O-CG 3.36Å; L157-M161 PolarHBondContact O-N 2.91Å; L157-F166 HydrophobicContact CD2-CE2 4.34Å; L157-F166 HydrophobicContact CD2-CZ 3.84Å
158F98.7Very high98.1Very high2 Ų261.7 Ų61.71%0.00934%0.339CS..Hα-helixtrans-68-40.3179.6-170.6-124.8000111.9H108 A111 I112 I115 V122 N154 L155 K160 M161 R162 L173 Y192 I208H108-F158 AromaticContact CD2-CE1 3.5Å; H108-F158 VanDerWaalsContact CD2-CE1 3.5Å; H108-F158 WeakPolarHBondContact CD2-CE1 3.38Å; H108-F158 AromaticContact CD2-CZ 3.85Å; H108-F158 AromaticContact NE2-CE1 3.48Å; H108-F158 WeakPolarHBondContact NE2-CE1 3.37Å; A111-F158 HydrophobicContact CB-CE1 3.94Å; A111-F158 HydrophobicContact CB-CZ 3.99Å; I112-F158 HydrophobicContact CG1-CD1 4.4Å; I112-F158 HydrophobicContact CG1-CE1 4.44Å; I115-F158 HydrophobicContact CD1-CB 3.91Å; I115-F158 HydrophobicContact CD1-CD1 3.71Å; I115-F158 HydrophobicContact CD1-CE1 4.43Å; I115-F158 HydrophobicContact CD1-CG 3.88Å; V122-F158 HydrophobicContact CG2-CB 4.03Å; N154-F158 VanDerWaalsContact O-CB 3.25Å; N154-F158 WeakPolarHBondContact O-CB 3.14Å; N154-F158 PolarHBondContact O-N 2.8Å; L155-F158 PolarHBondContact O-N 2.78Å; F158-K160 VanDerWaalsContact C-N 3.32Å; F158-K160 PolarHBondContact O-N 3.37Å; F158-M161 HydrophobicContact CD2-CE 4.25Å; F158-M161 HydrophobicContact CD2-SD 4.02Å; F158-M161 HydrophobicContact CE2-CE 4.47Å; F158-M161 WeakPolarHBondContact O-CB 3.45Å; F158-M161 PolarHBondContact O-N 3.37Å; F158-R162 PolarHBondContact O-N 2.94Å; F158-L173 HydrophobicContact CD2-CB 4.11Å; F158-L173 HydrophobicContact CD2-CD1 4.18Å; F158-L173 HydrophobicContact CD2-CD2 4.19Å; F158-L173 HydrophobicContact CD2-CG 4.39Å; F158-L173 HydrophobicContact CE1-CD2 4.36Å; F158-L173 HydrophobicContact CE2-CB 3.91Å; F158-L173 HydrophobicContact CE2-CD2 3.79Å; F158-L173 HydrophobicContact CE2-CG 4.3Å; F158-L173 HydrophobicContact CG-CD1 4.49Å; F158-L173 HydrophobicContact CZ-CD2 3.88Å; F158-Y192 HydrophobicContact CE2-CD2 4.25Å; F158-Y192 HydrophobicContact CE2-CG 4.05Å; F158-Y192 HydrophobicContact CZ-CD1 4.46Å; F158-Y192 AromaticContact CZ-CD2 3.93Å; F158-Y192 HydrophobicContact CZ-CD2 3.93Å; F158-Y192 HydrophobicContact CZ-CE2 4.22Å; F158-Y192 HydrophobicContact CZ-CG 4.06Å; F158-I208 HydrophobicContact CE1-CD1 4.5Å; F158-I208 HydrophobicContact CE2-CD1 3.79Å; F158-I208 HydrophobicContact CZ-CD1 3.76Å
159E98.5Very high97.8Very high91 Ų9157.4 Ų57.443%0.42533%0.325SS..Hα-helixtrans-63.9-38.7171-178.759.5-159.500111.1L155 M161 R162 A163L155-E159 WeakPolarHBondContact O-CB 3.41Å; L155-E159 PolarHBondContact O-N 3.46Å; E159-M161 VanDerWaalsContact C-N 3.32Å; E159-M161 PolarHBondContact O-N 3.29Å; E159-R162 WeakPolarHBondContact O-CB 3.19Å; E159-R162 PolarHBondContact O-N 3.38Å; E159-R162 IonicContact OE1-NH1 3.63Å; E159-R162 WeakPolarHBondContact OE2-CD 3.3Å; E159-R162 IonicContact OE2-NH1 3.14Å; E159-R162 PolarHBondContact OE2-NH1 3.32Å; E159-R162 VanDerWaalsContact OE2-NH1 3.14Å; E159-A163 WeakPolarHBondContact O-CB 3.43Å; E159-A163 PolarHBondContact O-N 2.92Å
160K98.4Very high97.8Very high100 Ų10061 Ų6144%0.43534%0.341SS..Hα-helixtrans-61.9-38.1172.9-177.8179.8172.5-1680112.2A156 L157 F158 A163 G164 G165 F166A156-K160 WeakPolarHBondContact O-CB 3.25Å; A156-K160 PolarHBondContact O-N 2.89Å; L157-K160 CarbonylContact O-C 3.46Å; L157-K160 WeakPolarHBondContact O-CB 3.3Å; L157-K160 PolarHBondContact O-N 2.86Å; F158-K160 VanDerWaalsContact C-N 3.32Å; F158-K160 PolarHBondContact O-N 3.37Å; K160-A163 PolarHBondContact O-N 2.87Å; K160-G164 PolarHBondContact O-N 3.08Å; K160-G165 WeakPolarHBondContact CE-O 3.5Å; K160-G165 WeakPolarHBondContact O-CA 3.35Å; K160-G165 PolarHBondContact O-N 2.94Å; K160-F166 HydrophobicContact CB-CD2 4.49Å; K160-F166 HydrophobicContact CB-CE2 3.97Å; K160-F166 HydrophobicContact CD-CD2 4.23Å; K160-F166 HydrophobicContact CD-CE2 3.55Å; K160-F166 HydrophobicContact CD-CZ 3.82Å; K160-F166 HydrophobicContact CG-CD2 3.98Å; K160-F166 HydrophobicContact CG-CE2 3.64Å; K160-F166 HydrophobicContact CG-CZ 4.41Å
161M98.4Very high97.7Very high0 Ų058.5 Ų58.50%032%0.324CS..Hα-helixtrans-61.6-48.7172.6-65.8167.455.900110.7V122 L157 F158 E159 A163 G164 F166 A171 I194 C207 I208V122-M161 HydrophobicContact CG1-SD 3.74Å; V122-M161 HydrophobicContact CG2-SD 4.01Å; L157-M161 WeakPolarHBondContact O-CG 3.36Å; L157-M161 PolarHBondContact O-N 2.91Å; F158-M161 HydrophobicContact CD2-CE 4.25Å; F158-M161 HydrophobicContact CD2-SD 4.02Å; F158-M161 HydrophobicContact CE2-CE 4.47Å; F158-M161 WeakPolarHBondContact O-CB 3.45Å; F158-M161 PolarHBondContact O-N 3.37Å; E159-M161 VanDerWaalsContact C-N 3.32Å; E159-M161 PolarHBondContact O-N 3.29Å; M161-A163 VanDerWaalsContact C-N 3.28Å; M161-A163 PolarHBondContact O-N 3.31Å; M161-G164 PolarHBondContact O-N 3.09Å; M161-F166 HydrophobicContact CB-CD2 4.35Å; M161-F166 HydrophobicContact CG-CD2 3.62Å; M161-F166 HydrophobicContact CG-CE2 3.95Å; M161-A171 HydrophobicContact CG-CB 4.1Å; M161-A171 HydrophobicContact SD-CB 4.06Å; M161-I194 HydrophobicContact CB-CD1 4.44Å; M161-I194 HydrophobicContact CB-CG1 4.37Å; M161-I194 HydrophobicContact CE-CD1 4.36Å; M161-I194 HydrophobicContact CE-CG1 4.04Å; M161-I194 HydrophobicContact CG-CD1 4.16Å; M161-I194 HydrophobicContact CG-CG1 4.5Å; M161-C207 PolarHBondContact O-SG 2.96Å; M161-I208 HydrophobicContact CB-CG2 3.82Å; M161-I208 HydrophobicContact CE-CG2 4.38Å
162R97.3Very high97.7Very high93 Ų9357 Ų5735%0.35132%0.316SS..Hα-helixtrans-59.9-35.3177.5-175.6-170.8174.3-150.60.5113.1F158 E159 G164 C207 I208F158-R162 PolarHBondContact O-N 2.94Å; E159-R162 WeakPolarHBondContact O-CB 3.19Å; E159-R162 PolarHBondContact O-N 3.38Å; E159-R162 IonicContact OE1-NH1 3.63Å; E159-R162 WeakPolarHBondContact OE2-CD 3.3Å; E159-R162 IonicContact OE2-NH1 3.14Å; E159-R162 PolarHBondContact OE2-NH1 3.32Å; E159-R162 VanDerWaalsContact OE2-NH1 3.14Å; R162-G164 PolarHBondContact O-N 3.36Å; R162-C207 PolarHBondContact O-SG 2.87Å; R162-I208 HydrophobicContact CB-CD1 3.73Å; R162-I208 HydrophobicContact CB-CG1 4.28Å; R162-I208 HydrophobicContact CG-CD1 4.13Å; R162-I208 HydrophobicContact CG-CG1 4.43Å
163A97.3Very high97.7Very high78 Ų7850.6 Ų50.665%0.64529%0.285SS*.THydrogen-bonded Turntrans-78.51.3176.800000113.7E159 K160 M161E159-A163 WeakPolarHBondContact O-CB 3.43Å; E159-A163 PolarHBondContact O-N 2.92Å; K160-A163 PolarHBondContact O-N 2.87Å; M161-A163 VanDerWaalsContact C-N 3.28Å; M161-A163 PolarHBondContact O-N 3.31Å
164G96.9Very high97.7Very high28 Ų2846.4 Ų46.429%0.28927%0.266SS..THydrogen-bonded Turntrans7622-17900000114.4K160 M161 R162 F166K160-G164 PolarHBondContact O-N 3.08Å; M161-G164 PolarHBondContact O-N 3.09Å; R162-G164 PolarHBondContact O-N 3.36Å; G164-F166 PolarHBondContact O-N 3.31Å
165G97.4Very high97.7Very high41 Ų4146.2 Ų46.242%0.42327%0.265SS..  trans-78.25.9-178.600000115.6K160K160-G165 WeakPolarHBondContact CE-O 3.5Å; K160-G165 WeakPolarHBondContact O-CA 3.35Å; K160-G165 PolarHBondContact O-N 2.94Å
166F96.8Very high97.7Very high26 Ų2645.7 Ų45.711%0.11426%0.26CS..SBendtrans-135.6146.2179.5-72.6-77.7000110.4E124 L157 K160 M161 G164 A171 I194 F196E124-F166 WeakPolarHBondContact OE1-CE1 3.33Å; L157-F166 HydrophobicContact CD2-CE2 4.34Å; L157-F166 HydrophobicContact CD2-CZ 3.84Å; K160-F166 HydrophobicContact CB-CD2 4.49Å; K160-F166 HydrophobicContact CB-CE2 3.97Å; K160-F166 HydrophobicContact CD-CD2 4.23Å; K160-F166 HydrophobicContact CD-CE2 3.55Å; K160-F166 HydrophobicContact CD-CZ 3.82Å; K160-F166 HydrophobicContact CG-CD2 3.98Å; K160-F166 HydrophobicContact CG-CE2 3.64Å; K160-F166 HydrophobicContact CG-CZ 4.41Å; M161-F166 HydrophobicContact CB-CD2 4.35Å; M161-F166 HydrophobicContact CG-CD2 3.62Å; M161-F166 HydrophobicContact CG-CE2 3.95Å; G164-F166 PolarHBondContact O-N 3.31Å; F166-A171 HydrophobicContact CD1-CB 4.23Å; F166-A171 HydrophobicContact CD2-CB 4.33Å; F166-A171 HydrophobicContact CG-CB 4.13Å; F166-I194 HydrophobicContact CB-CD1 3.48Å; F166-I194 VanDerWaalsContact CB-CD1 3.48Å; F166-I194 HydrophobicContact CG-CD1 4.38Å; F166-F196 VanDerWaalsContact O-CE2 3.28Å; F166-F196 WeakPolarHBondContact O-CE2 3.35Å; F166-F196 WeakPolarHBondContact O-CZ 3.11Å
167E96.8Very high97.7Very high133 Ų13344.3 Ų44.362%0.62124%0.244SC*.  trans-71.8160.4171.5-56.7175.3166.200111.4G169 K170E167-G169 PolarHBondContact O-N 3.43Å; E167-K170 HydrophobicContact CB-CG 3.72Å; E167-K170 WeakPolarHBondContact O-CB 3.49Å; E167-K170 PolarHBondContact O-N 2.9Å; E167-K170 VanDerWaalsContact OE2-CE 3.28Å; E167-K170 WeakPolarHBondContact OE2-CE 3.06Å
168E96.2Very high97.7Very high77 Ų7746.7 Ų46.736%0.3626%0.256SS..THydrogen-bonded Turntrans-55.6136.4174.6-58.1-166.6160.800111.5K170 I194 K195 F196E168-K170 PolarHBondContact O-N 3.44Å; E168-I194 HydrophobicContact CG-CG2 4.5Å; E168-K195 VanDerWaalsContact CD-NZ 3.29Å; E168-K195 WeakPolarHBondContact OE1-CA 3.34Å; E168-K195 VanDerWaalsContact OE1-CD 3.25Å; E168-K195 WeakPolarHBondContact OE1-CD 3.41Å; E168-K195 WeakPolarHBondContact OE1-CE 3.3Å; E168-K195 IonicContact OE1-NZ 2.79Å; E168-K195 PolarHBondContact OE1-NZ 2.97Å; E168-K195 VanDerWaalsContact OE1-NZ 3.08Å; E168-K195 IonicContact OE2-NZ 3.4Å; E168-K195 PolarHBondContact OE2-NZ 3.24Å; E168-F196 HydrophobicContact CG-CD2 3.67Å; E168-F196 HydrophobicContact CG-CE2 4.24Å; E168-F196 PolarHBondContact OE1-N 3.18Å
169G93.7Very high97.6Very high36 Ų3646.8 Ų46.837%0.37126%0.257SS..THydrogen-bonded Turntrans72.91.9177.400000115.6E167E167-G169 PolarHBondContact O-N 3.43Å
170K96.9Very high97.5Very high107 Ų10745.4 Ų45.447%0.46526%0.261SS..SBendtrans-87.6-21.8176-60.7-60.2-175.9177.70114.2E124 E167 E168E124-K170 WeakPolarHBondContact CA-O 3.31Å; E167-K170 HydrophobicContact CB-CG 3.72Å; E167-K170 WeakPolarHBondContact O-CB 3.49Å; E167-K170 PolarHBondContact O-N 2.9Å; E167-K170 VanDerWaalsContact OE2-CE 3.28Å; E167-K170 WeakPolarHBondContact OE2-CE 3.06Å; E168-K170 PolarHBondContact O-N 3.44Å
171A98.1Very high97.4Very high3 Ų341.1 Ų41.13%0.02524%0.243CC..  trans-148.9150.3175.400000111V122 D123 E124 M161 F166 I194V122-A171 HydrophobicContact CG1-CB 4.26Å; D123-A171 CarbonylContact O-C 3.56Å; D123-A171 WeakPolarHBondContact O-CA 3.31Å; E124-A171 HydrophobicContact CG-CB 4.24Å; M161-A171 HydrophobicContact CG-CB 4.1Å; M161-A171 HydrophobicContact SD-CB 4.06Å; F166-A171 HydrophobicContact CD1-CB 4.23Å; F166-A171 HydrophobicContact CD2-CB 4.33Å; F166-A171 HydrophobicContact CG-CB 4.13Å; A171-I194 HydrophobicContact CB-CD1 4Å; A171-I194 WeakPolarHBondContact O-CD1 3.3Å
172C98.4Very high97.3Very high11 Ų1145.7 Ų45.77%0.07427%0.273CS..EExtended strand (participates in β ladder)trans-146.2158172.367.20000110.4V122 D123 V190 Y192V122-C172 WeakPolarHBondContact CA-O 3.44Å; D123-C172 PolarHBondContact N-O 3.49Å; D123-C172 PolarHBondContact O-N 2.99Å; C172-V190 HydrophobicContact CB-CG1 3.95Å; C172-Y192 WeakPolarHBondContact CA-O 3.33Å; C172-Y192 VanDerWaalsContact CB-O 3.29Å; C172-Y192 WeakPolarHBondContact CB-O 3.46Å
173L98.8Very high97.2Very high0 Ų044 Ų440%027%0.268CS..EExtended strand (participates in β ladder)trans-92.6129.7169.3-172.272.1000108.4A111 I115 A120 V122 F158 V190 L191 Y192A111-L173 HydrophobicContact CB-CD2 3.74Å; I115-L173 HydrophobicContact CD1-CD1 3.71Å; I115-L173 HydrophobicContact CD1-CD2 4.28Å; I115-L173 HydrophobicContact CG1-CD1 3.9Å; A120-L173 HydrophobicContact CB-CD1 4.2Å; A120-L173 HydrophobicContact CB-CD2 4.44Å; A120-L173 HydrophobicContact CB-CG 4.3Å; V122-L173 HydrophobicContact CG2-CD1 4.03Å; F158-L173 HydrophobicContact CD2-CB 4.11Å; F158-L173 HydrophobicContact CD2-CD1 4.18Å; F158-L173 HydrophobicContact CD2-CD2 4.19Å; F158-L173 HydrophobicContact CD2-CG 4.39Å; F158-L173 HydrophobicContact CE1-CD2 4.36Å; F158-L173 HydrophobicContact CE2-CB 3.91Å; F158-L173 HydrophobicContact CE2-CD2 3.79Å; F158-L173 HydrophobicContact CE2-CG 4.3Å; F158-L173 HydrophobicContact CG-CD1 4.49Å; F158-L173 HydrophobicContact CZ-CD2 3.88Å; L173-V190 CarbonylContact O-C 3.47Å; L173-L191 HydrophobicContact CD2-CB 4.39Å; L173-L191 HydrophobicContact CD2-CD1 4.41Å; L173-L191 PolarHBondContact O-N 2.9Å; L173-Y192 HydrophobicContact CD2-CD2 4.22Å; L173-Y192 PolarHBondContact N-O 3.01Å; L173-Y192 PolarHBondContact O-N 2.92Å
174R98.8Very high97Very high0 Ų043.1 Ų43.10%025%0.252CS..EExtended strand (participates in β ladder)trans-118.9144.9176.8-63177.969.5-171.1-3.2110.6A120 Y121 D123 D188 P189 V190A120-R174 CarbonylContact C-O 3.57Å; A120-R174 WeakPolarHBondContact CA-O 3.36Å; A120-R174 WeakPolarHBondContact CB-O 3.31Å; Y121-R174 HydrophobicContact CD1-CB 4.4Å; Y121-R174 HydrophobicContact CE1-CB 3.88Å; Y121-R174 PolarHBondContact N-O 3.36Å; Y121-R174 PolarHBondContact O-N 3.27Å; Y121-R174 PolarHBondContact OH-NH1 2.83Å; D123-R174 VanDerWaalsContact CB-CD 3.47Å; D123-R174 HydrophobicContact CB-CG 4.04Å; D123-R174 WeakPolarHBondContact OD2-CD 3.48Å; D123-R174 IonicContact OD2-CZ 3.65Å; D123-R174 IonicContact OD2-NE 2.82Å; D123-R174 IonicContact OD2-NH1 3.48Å; D123-R174 PolarHBondContact OD2-NH1 2.79Å; R174-D188 VanDerWaalsContact CZ-O 3.25Å; R174-D188 PolarHBondContact NE-O 3.3Å; R174-D188 PolarHBondContact NH2-O 3.22Å; R174-P189 VanDerWaalsContact CA-O 3.31Å; R174-P189 WeakPolarHBondContact CA-O 3.49Å; R174-V190 HydrophobicContact CG-CG2 4.12Å
175A98.8Very high97Very high0 Ų042.7 Ų42.70%024%0.244CC..EExtended strand (participates in β ladder)trans-66.4148.4166.300000109.8L119 I177 D188 P189 L191 W243L119-A175 CarbonylContact O-C 3.53Å; A175-I177 HydrophobicContact CB-CD1 3.93Å; A175-I177 HydrophobicContact CB-CG1 3.81Å; A175-D188 WeakPolarHBondContact O-CA 3.49Å; A175-D188 WeakPolarHBondContact O-CB 3.29Å; A175-P189 HydrophobicContact CB-CG 4.12Å; A175-P189 PolarHBondContact N-O 2.85Å; A175-L191 HydrophobicContact CB-CD1 4.07Å; A175-L191 HydrophobicContact CB-CD2 4.09Å; A175-L191 HydrophobicContact CB-CG 4.15Å; A175-W243 HydrophobicContact CB-CH2 3.72Å; A175-W243 HydrophobicContact CB-CZ3 3.76Å
176K98.7Very high97Very high43 Ų4341.9 Ų41.919%0.18723%0.229CC..  trans-105.295.9173.1-169.2-176.4-65.3-170.90108.4G118 L119 Y121 R147G118-K176 WeakPolarHBondContact O-CD 3.31Å; L119-K176 PolarHBondContact O-N 2.57Å; Y121-K176 HydrophobicContact CD1-CB 4.11Å; R147-K176 HydrophobicContact CG-CD 4.46Å; R147-K176 HydrophobicContact CG-CG 4.3Å; R147-K176 WeakPolarHBondContact O-CE 3.2Å; R147-K176 PolarHBondContact O-NZ 3.45Å
177I98.4Very high97.1Very high36 Ų3641 Ų4119%0.18523%0.225CC..SBendtrans-119.8-105.3-175.3-48.2-177.7000108.5R147 A175 M186 D188 P189 L240 W243R147-I177 PolarHBondContact NH2-O 2.89Å; A175-I177 HydrophobicContact CB-CD1 3.93Å; A175-I177 HydrophobicContact CB-CG1 3.81Å; I177-M186 WeakPolarHBondContact CB-O 3.4Å; I177-M186 HydrophobicContact CD1-CE 4.23Å; I177-M186 HydrophobicContact CG2-CB 4.34Å; I177-M186 HydrophobicContact CG2-CE 3.86Å; I177-D188 PolarHBondContact N-OD1 3.27Å; I177-P189 HydrophobicContact CD1-CG 4.09Å; I177-L240 HydrophobicContact CD1-CD1 3.86Å; I177-W243 HydrophobicContact CD1-CD2 3.68Å; I177-W243 HydrophobicContact CD1-CE3 3.9Å; I177-W243 HydrophobicContact CD1-CG 4.13Å; I177-W243 HydrophobicContact CD1-CH2 4.43Å; I177-W243 HydrophobicContact CD1-CZ2 4.22Å; I177-W243 HydrophobicContact CD1-CZ3 4.28Å; I177-W243 HydrophobicContact CG1-CD2 4.04Å; I177-W243 HydrophobicContact CG1-CE3 4.43Å; I177-W243 HydrophobicContact CG1-CH2 4.14Å; I177-W243 HydrophobicContact CG1-CZ2 3.69Å; I177-W243 HydrophobicContact CG1-CZ3 4.48Å
178D97.8Very high97.1Very high75 Ų7534.6 Ų34.640%0.40120%0.196SC..  trans-144.2104.9-175.2175.119.1000110.8A180 S181 M186D178-A180 PolarHBondContact O-N 3.18Å; D178-A180 WeakPolarHBondContact OD1-CA 3.11Å; D178-A180 WeakPolarHBondContact OD1-CB 3.41Å; D178-A180 PolarHBondContact OD1-N 3.11Å; D178-S181 VanDerWaalsContact O-CB 3.31Å; D178-S181 WeakPolarHBondContact O-CB 3.5Å; D178-S181 PolarHBondContact O-N 3.14Å; D178-S181 PolarHBondContact OD1-N 3.41Å; D178-S181 WeakPolarHBondContact OD2-CA 3.39Å; D178-S181 PolarHBondContact OD2-N 2.72Å; D178-M186 PolarHBondContact N-O 3.12Å
179M98Very high97.2Very high5 Ų531.2 Ų31.23%0.02518%0.18CC..THydrogen-bonded Turntrans-67.2-18.3177.5-72.1-58.4-57.500113.6Y133 R134 G141 K142 N143 R187 D188Y133-M179 WeakPolarHBondContact O-CE 3.47Å; R134-M179 HydrophobicContact CG-CE 4.09Å; G141-M179 VanDerWaalsContact CA-O 3.22Å; G141-M179 WeakPolarHBondContact CA-O 3.1Å; G141-M179 PolarHBondContact N-O 2.84Å; K142-M179 WeakPolarHBondContact O-CE 3.44Å; N143-M179 WeakPolarHBondContact OD1-CG 3.48Å; M179-R187 HydrophobicContact CE-CB 4.26Å; M179-R187 WeakPolarHBondContact O-CD 3.19Å; M179-R187 HydrophobicContact SD-CB 4.07Å; M179-D188 HydrophobicContact SD-CB 3.55Å; M179-D188 VanDerWaalsContact SD-CB 3.55Å; M179-D188 VanDerWaalsContact SD-CG 3.5Å
180A96.5Very high97.4Very high61 Ų6131.1 Ų31.150%0.50417%0.172SC..THydrogen-bonded Turntrans-92.5-0.8176.900000113.1P140 D178P140-A180 HydrophobicContact CB-CB 4.4Å; D178-A180 PolarHBondContact O-N 3.18Å; D178-A180 WeakPolarHBondContact OD1-CA 3.11Å; D178-A180 WeakPolarHBondContact OD1-CB 3.41Å; D178-A180 PolarHBondContact OD1-N 3.11Å
181S96.5Very high97.5Very high10 Ų1026.1 Ų26.17%0.0715%0.151CC..  trans-54.5140-176.1-172.50000112D178 F183 R187D178-S181 VanDerWaalsContact O-CB 3.31Å; D178-S181 WeakPolarHBondContact O-CB 3.5Å; D178-S181 PolarHBondContact O-N 3.14Å; D178-S181 PolarHBondContact OD1-N 3.41Å; D178-S181 WeakPolarHBondContact OD2-CA 3.39Å; D178-S181 PolarHBondContact OD2-N 2.72Å; S181-F183 PolarHBondContact O-N 3.41Å; S181-F183 PolarHBondContact OG-N 2.62Å; S181-R187 VanDerWaalsContact O-CZ 3.31Å; S181-R187 PolarHBondContact O-NE 2.97Å; S181-R187 PolarHBondContact O-NH2 2.52Å
182P94.7Very high97.6Very high96 Ų9626 Ų2662%0.62315%0.15SC*.SBendtrans-64.7-19.9171.626.7-33.9000112.2
183F94.9Very high97.5Very high58 Ų5829 Ų2925%0.25416%0.159SC..SBendtrans-97113.1177-60-79.7000109.9S181 V185 M186 R239S181-F183 PolarHBondContact O-N 3.41Å; S181-F183 PolarHBondContact OG-N 2.62Å; F183-V185 HydrophobicContact CB-CG1 4.24Å; F183-V185 PolarHBondContact O-N 3.44Å; F183-V185 VanDerWaalsContact O-N 3.12Å; F183-M186 HydrophobicContact CB-CG 4.08Å; F183-M186 PolarHBondContact O-N 3.18Å; F183-R239 VanDerWaalsContact CE2-NE 3.33Å; F183-R239 VanDerWaalsContact CZ-NE 3.35Å
184I94.9Very high97.4Very high59 Ų5929.3 Ų29.330%0.30316%0.161SC..G310 helixtrans-55.8-35.2-178-68.6177.3000111.5R134 L137 M186 R187R134-I184 PolarHBondContact NH2-O 2.69Å; L137-I184 HydrophobicContact CD2-CD1 3.58Å; L137-I184 HydrophobicContact CD2-CG1 4.02Å; L137-I184 HydrophobicContact CG-CD1 3.92Å; I184-M186 PolarHBondContact O-N 2.94Å; I184-R187 WeakPolarHBondContact O-CB 3.33Å; I184-R187 PolarHBondContact O-N 2.68Å
185V96Very high97.3Very high20 Ų2031.7 Ų31.712%0.12117%0.171CC..G310 helixtrans-59.2-26.117872.20000113.5F183 P189 D236 L240F183-V185 HydrophobicContact CB-CG1 4.24Å; F183-V185 PolarHBondContact O-N 3.44Å; F183-V185 VanDerWaalsContact O-N 3.12Å; V185-P189 WeakPolarHBondContact O-CD 3.31Å; V185-P189 WeakPolarHBondContact O-CG 3.44Å; V185-D236 HydrophobicContact CG1-CB 4.38Å; V185-L240 HydrophobicContact CG2-CB 4.01Å; V185-L240 HydrophobicContact CG2-CD2 3.75Å
186M97.7Very high97.2Very high23 Ų2336.8 Ų36.811%0.11319%0.194CC..G310 helixtrans-89.3-3.1177.3-57.3-56.9-76.400113.2I177 D178 F183 I184 D188 R239 L240 W243I177-M186 WeakPolarHBondContact CB-O 3.4Å; I177-M186 HydrophobicContact CD1-CE 4.23Å; I177-M186 HydrophobicContact CG2-CB 4.34Å; I177-M186 HydrophobicContact CG2-CE 3.86Å; D178-M186 PolarHBondContact N-O 3.12Å; F183-M186 HydrophobicContact CB-CG 4.08Å; F183-M186 PolarHBondContact O-N 3.18Å; I184-M186 PolarHBondContact O-N 2.94Å; M186-D188 VanDerWaalsContact C-N 3.32Å; M186-D188 PolarHBondContact O-N 2.82Å; M186-R239 HydrophobicContact CE-CB 4.31Å; M186-R239 HydrophobicContact CG-CB 4.2Å; M186-R239 HydrophobicContact SD-CB 3.57Å; M186-R239 VanDerWaalsContact SD-CB 3.57Å; M186-L240 HydrophobicContact SD-CB 4.13Å; M186-W243 HydrophobicContact CE-CB 3.98Å; M186-W243 HydrophobicContact CE-CG 4.19Å
187R97.9Very high96.9Very high7 Ų735.9 Ų35.93%0.02619%0.194CC..SBendtrans-83.478177.5-60.4-174-175.9177.71.7110.5R134 T136 Q139 M179 S181 I184R134-R187 HydrophobicContact CG-CB 4.32Å; R134-R187 PolarHBondContact NE-O 2.72Å; R134-R187 VanDerWaalsContact NE-O 3.14Å; R134-R187 WeakPolarHBondContact O-CD 3.14Å; R134-R187 PolarHBondContact O-NH1 2.97Å; T136-R187 PolarHBondContact O-NH1 3.29Å; T136-R187 PolarHBondContact O-NH2 2.94Å; Q139-R187 PolarHBondContact O-NH1 3.24Å; M179-R187 HydrophobicContact CE-CB 4.26Å; M179-R187 WeakPolarHBondContact O-CD 3.19Å; M179-R187 HydrophobicContact SD-CB 4.07Å; S181-R187 VanDerWaalsContact O-CZ 3.31Å; S181-R187 PolarHBondContact O-NE 2.97Å; S181-R187 PolarHBondContact O-NH2 2.52Å; I184-R187 WeakPolarHBondContact O-CB 3.33Å; I184-R187 PolarHBondContact O-N 2.68Å
188D98.4Very high96.6Very high0 Ų040.4 Ų40.40%022%0.215CC..SBendtrans39.766.6178.9-66.92.8000112.3Y121 R147 R174 A175 I177 M179 M186Y121-D188 HydrophobicContact CE1-CB 4.38Å; R147-D188 IonicContact CZ-OD1 2.64Å; R147-D188 IonicContact CZ-OD2 3.54Å; R147-D188 IonicContact NE-OD1 3.27Å; R147-D188 IonicContact NE-OD2 3.8Å; R147-D188 PolarHBondContact NE-OD2 2.72Å; R147-D188 IonicContact NH2-OD1 2.68Å; R147-D188 PolarHBondContact NH2-OD1 2.86Å; R147-D188 IonicContact NH2-OD2 3.08Å; R147-D188 PolarHBondContact NH2-OD2 3.14Å; R174-D188 VanDerWaalsContact CZ-O 3.25Å; R174-D188 PolarHBondContact NE-O 3.3Å; R174-D188 PolarHBondContact NH2-O 3.22Å; A175-D188 WeakPolarHBondContact O-CA 3.49Å; A175-D188 WeakPolarHBondContact O-CB 3.29Å; I177-D188 PolarHBondContact N-OD1 3.27Å; M179-D188 HydrophobicContact SD-CB 3.55Å; M179-D188 VanDerWaalsContact SD-CB 3.55Å; M179-D188 VanDerWaalsContact SD-CG 3.5Å; M186-D188 VanDerWaalsContact C-N 3.32Å; M186-D188 PolarHBondContact O-N 2.82Å
189P98Very high96.3Very high5 Ų536.9 Ų36.93%0.03220%0.196CC..  trans-62152-179.427.8-36.3000111.6R174 A175 I177 V185 L240R174-P189 VanDerWaalsContact CA-O 3.31Å; R174-P189 WeakPolarHBondContact CA-O 3.49Å; A175-P189 HydrophobicContact CB-CG 4.12Å; A175-P189 PolarHBondContact N-O 2.85Å; I177-P189 HydrophobicContact CD1-CG 4.09Å; V185-P189 WeakPolarHBondContact O-CD 3.31Å; V185-P189 WeakPolarHBondContact O-CG 3.44Å; P189-L240 HydrophobicContact CB-CD2 3.77Å; P189-L240 HydrophobicContact CG-CD1 3.61Å; P189-L240 HydrophobicContact CG-CD2 3.56Å; P189-L240 HydrophobicContact CG-CG 4.25Å
190V98.3Very high95.7Very high35 Ų3539.7 Ų39.721%0.21221%0.209CC..EExtended strand (participates in β ladder)trans-73130.3174.2179.30000109C172 L173 R174 Y192 M211C172-V190 HydrophobicContact CB-CG1 3.95Å; L173-V190 CarbonylContact O-C 3.47Å; R174-V190 HydrophobicContact CG-CG2 4.12Å; V190-Y192 WeakPolarHBondContact CG1-O 3.26Å; V190-M211 HydrophobicContact CB-CG 4.22Å; V190-M211 HydrophobicContact CG1-CG 3.84Å; V190-M211 HydrophobicContact CG1-SD 4.36Å; V190-M211 WeakPolarHBondContact O-CB 3.28Å; V190-M211 VanDerWaalsContact O-CG 3.24Å; V190-M211 WeakPolarHBondContact O-CG 3.42Å
191L98.6Very high95.3Very high1 Ų140.4 Ų40.41%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-99.2-39.3176.2-56.5-176.6000111.9L114 A120 L173 A175 P210 M211 F214L114-L191 HydrophobicContact CD1-CD1 3.85Å; A120-L191 HydrophobicContact CB-CD1 4.27Å; L173-L191 HydrophobicContact CD2-CB 4.39Å; L173-L191 HydrophobicContact CD2-CD1 4.41Å; L173-L191 PolarHBondContact O-N 2.9Å; A175-L191 HydrophobicContact CB-CD1 4.07Å; A175-L191 HydrophobicContact CB-CD2 4.09Å; A175-L191 HydrophobicContact CB-CG 4.15Å; L191-P210 CarbonylContact O-C 3.58Å; L191-P210 VanDerWaalsContact O-CA 3.3Å; L191-P210 WeakPolarHBondContact O-CA 3.11Å; L191-M211 PolarHBondContact O-N 3.34Å; L191-F214 HydrophobicContact CB-CB 4.42Å; L191-F214 HydrophobicContact CB-CD2 4.45Å; L191-F214 HydrophobicContact CB-CG 4.2Å; L191-F214 HydrophobicContact CD1-CD2 4.27Å; L191-F214 HydrophobicContact CD1-CE2 4.3Å; L191-F214 HydrophobicContact CD2-CB 4.03Å; L191-F214 HydrophobicContact CD2-CD2 3.78Å; L191-F214 HydrophobicContact CD2-CG 4.08Å; L191-F214 HydrophobicContact CG-CD2 4.39Å
192Y98.7Very high95.1Very high1 Ų141.4 Ų41.40%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-134.6143.6177.3-86.4-97000111.8L107 H108 A111 F158 C172 L173 V190 I208 Y209 P210 F214L107-Y192 WeakPolarHBondContact CB-OH 3.32Å; L107-Y192 PolarHBondContact O-OH 3.5Å; H108-Y192 WeakPolarHBondContact CA-OH 3.37Å; H108-Y192 PolarHBondContact N-OH 3Å; H108-Y192 VanDerWaalsContact N-OH 3.09Å; A111-Y192 HydrophobicContact CB-CD2 4.17Å; A111-Y192 HydrophobicContact CB-CE2 3.74Å; F158-Y192 HydrophobicContact CE2-CD2 4.25Å; F158-Y192 HydrophobicContact CE2-CG 4.05Å; F158-Y192 HydrophobicContact CZ-CD1 4.46Å; F158-Y192 AromaticContact CZ-CD2 3.93Å; F158-Y192 HydrophobicContact CZ-CD2 3.93Å; F158-Y192 HydrophobicContact CZ-CE2 4.22Å; F158-Y192 HydrophobicContact CZ-CG 4.06Å; C172-Y192 WeakPolarHBondContact CA-O 3.33Å; C172-Y192 VanDerWaalsContact CB-O 3.29Å; C172-Y192 WeakPolarHBondContact CB-O 3.46Å; L173-Y192 HydrophobicContact CD2-CD2 4.22Å; L173-Y192 PolarHBondContact N-O 3.01Å; L173-Y192 PolarHBondContact O-N 2.92Å; V190-Y192 WeakPolarHBondContact CG1-O 3.26Å; Y192-I208 HydrophobicContact CD1-CB 3.97Å; Y192-I208 HydrophobicContact CD1-CD1 4.09Å; Y192-I208 HydrophobicContact CD1-CG1 4.08Å; Y192-I208 HydrophobicContact CE1-CD1 4.29Å; Y192-I208 HydrophobicContact CE1-CG1 4.3Å; Y192-Y209 WeakPolarHBondContact CA-O 3.22Å; Y192-Y209 VanDerWaalsContact CD1-C 3.41Å; Y192-P210 HydrophobicContact CD1-CB 4.33Å; Y192-P210 HydrophobicContact CE1-CB 3.88Å; Y192-P210 HydrophobicContact CE1-CG 4.27Å; Y192-P210 HydrophobicContact CE2-CB 4.08Å; Y192-F214 HydrophobicContact CD2-CD1 4.42Å; Y192-F214 HydrophobicContact CD2-CE1 4.47Å; Y192-F214 AromaticContact CE2-CD1 3.87Å; Y192-F214 HydrophobicContact CE2-CD1 3.87Å; Y192-F214 AromaticContact CE2-CE1 3.68Å; Y192-F214 HydrophobicContact CE2-CE1 3.68Å
193R97.2Very high95Very high73 Ų7337.8 Ų37.828%0.27519%0.188SC..EExtended strand (participates in β ladder)trans-122.4155.4171.463.9177.3179127.92.3110.9N70 I208 Y209 M211N70-R193 PolarHBondContact OD1-NH2 3.08Å; R193-I208 CarbonylContact O-C 3.55Å; R193-I208 VanDerWaalsContact O-CA 3.29Å; R193-I208 WeakPolarHBondContact O-CA 3.35Å; R193-Y209 PolarHBondContact N-O 3.3Å; R193-Y209 PolarHBondContact O-N 3.23Å; R193-M211 HydrophobicContact CB-SD 4.27Å; R193-M211 HydrophobicContact CG-SD 3.92Å
194I97.5Very high95Very high8 Ų841 Ų414%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-85.4133.1170.6-58.6160.4000109.4M161 F166 E168 A171 F196 C207 I208M161-I194 HydrophobicContact CB-CD1 4.44Å; M161-I194 HydrophobicContact CB-CG1 4.37Å; M161-I194 HydrophobicContact CE-CD1 4.36Å; M161-I194 HydrophobicContact CE-CG1 4.04Å; M161-I194 HydrophobicContact CG-CD1 4.16Å; M161-I194 HydrophobicContact CG-CG1 4.5Å; F166-I194 HydrophobicContact CB-CD1 3.48Å; F166-I194 VanDerWaalsContact CB-CD1 3.48Å; F166-I194 HydrophobicContact CG-CD1 4.38Å; E168-I194 HydrophobicContact CG-CG2 4.5Å; A171-I194 HydrophobicContact CB-CD1 4Å; A171-I194 WeakPolarHBondContact O-CD1 3.3Å; I194-F196 HydrophobicContact CG2-CD2 4.35Å; I194-F196 HydrophobicContact CG2-CE2 3.8Å; I194-F196 HydrophobicContact CG2-CZ 3.99Å; I194-C207 CarbonylContact C-O 3.53Å; I194-C207 WeakPolarHBondContact CA-O 3.09Å; I194-I208 HydrophobicContact CG1-CG2 4.07Å
195K96.1Very high95Very high50 Ų5043.7 Ų43.722%0.21722%0.217CC..  trans-148.4122.1171.4-168.775.5-163.2148.20109.5P71 V72 E168 A197 C207 Y209P71-K195 HydrophobicContact CG-CG 4.1Å; V72-K195 HydrophobicContact CG2-CG 4.45Å; E168-K195 VanDerWaalsContact CD-NZ 3.29Å; E168-K195 WeakPolarHBondContact OE1-CA 3.34Å; E168-K195 VanDerWaalsContact OE1-CD 3.25Å; E168-K195 WeakPolarHBondContact OE1-CD 3.41Å; E168-K195 WeakPolarHBondContact OE1-CE 3.3Å; E168-K195 IonicContact OE1-NZ 2.79Å; E168-K195 PolarHBondContact OE1-NZ 2.97Å; E168-K195 VanDerWaalsContact OE1-NZ 3.08Å; E168-K195 IonicContact OE2-NZ 3.4Å; E168-K195 PolarHBondContact OE2-NZ 3.24Å; K195-A197 HydrophobicContact CG-CB 4.12Å; K195-A197 PolarHBondContact O-N 3.08Å; K195-C207 PolarHBondContact N-O 3.38Å; K195-C207 CarbonylContact O-C 3.51Å; K195-C207 WeakPolarHBondContact O-CA 3.46Å; K195-C207 VanDerWaalsContact O-O 3.12Å; K195-Y209 HydrophobicContact CB-CD2 3.8Å; K195-Y209 HydrophobicContact CB-CE2 4.15Å; K195-Y209 WeakPolarHBondContact O-CE2 3.47Å
196F95.8Very high95.1Very high106 Ų10643.2 Ų43.247%0.46521%0.213SC..  trans-91.881.2173.8-63.3-70.9000109.2F166 E168 I194 C207F166-F196 VanDerWaalsContact O-CE2 3.28Å; F166-F196 WeakPolarHBondContact O-CE2 3.35Å; F166-F196 WeakPolarHBondContact O-CZ 3.11Å; E168-F196 HydrophobicContact CG-CD2 3.67Å; E168-F196 HydrophobicContact CG-CE2 4.24Å; E168-F196 PolarHBondContact OE1-N 3.18Å; I194-F196 HydrophobicContact CG2-CD2 4.35Å; I194-F196 HydrophobicContact CG2-CE2 3.8Å; I194-F196 HydrophobicContact CG2-CZ 3.99Å; F196-C207 HydrophobicContact CD1-CB 3.77Å; F196-C207 HydrophobicContact CE1-CB 3.74Å
197A93.2Very high95Very high24 Ų2442.8 Ų42.820%0.19821%0.212CC..  trans-143.3144.4175.500000109.4P71 V72 K195 Y209P71-A197 HydrophobicContact CB-CB 3.95Å; P71-A197 HydrophobicContact CG-CB 3.85Å; V72-A197 HydrophobicContact CG2-CB 3.69Å; K195-A197 HydrophobicContact CG-CB 4.12Å; K195-A197 PolarHBondContact O-N 3.08Å; A197-Y209 PolarHBondContact O-OH 3.34Å
198E92.1Very high95Very high132 Ų13242.5 Ų42.562%0.61721%0.211SC*.  trans-70.6131.5173.5-175.6172.7-172.800109.7
199H91.4Very high95Very high1 Ų142.5 Ų42.51%0.00521%0.211CC..BIsolated β-bridgetrans-91.9138.3176.8-165.4-82.8000111.1D68 P71 E74 S101 F104 Q201 T202 G203 Y209D68-H199 PolarHBondContact O-CE1 3.41Å; D68-H199 PolarHBondContact O-NE2 3.23Å; D68-H199 IonicContact OD2-CE1 2.86Å; D68-H199 PolarHBondContact OD2-CE1 2.94Å; P71-H199 HydrophobicContact CB-CB 4.23Å; E74-H199 IonicContact OE2-NE2 3.35Å; S101-H199 VanDerWaalsContact CB-CE1 3.43Å; S101-H199 WeakPolarHBondContact CB-CE1 3.37Å; F104-H199 AromaticContact CZ-NE2 3.96Å; H199-Q201 VanDerWaalsContact C-N 3.31Å; H199-Q201 PolarHBondContact ND1-N 3.14Å; H199-Q201 VanDerWaalsContact ND1-N 3.17Å; H199-Q201 PolarHBondContact O-N 3.49Å; H199-T202 VanDerWaalsContact CB-OG1 3.25Å; H199-T202 WeakPolarHBondContact CB-OG1 3.49Å; H199-T202 PolarHBondContact ND1-N 3.43Å; H199-T202 PolarHBondContact O-N 2.83Å; H199-G203 PolarHBondContact N-O 3.4Å; H199-G203 VanDerWaalsContact O-CA 3.31Å; H199-G203 WeakPolarHBondContact O-CA 3.09Å; H199-G203 PolarHBondContact O-N 2.93Å; H199-Y209 HydrophobicContact CB-CE1 4.21Å; H199-Y209 AromaticContact CD2-CE1 3.59Å
200H86.2Confident95Very high63 Ų6342.4 Ų42.429%0.29221%0.21SC..THydrogen-bonded Turntrans-61.4-34-175.872.390.9000114.1D68 E74D68-H200 WeakPolarHBondContact CB-NE2 3.45Å; D68-H200 IonicContact OD2-CE1 3.53Å; D68-H200 IonicContact OD2-NE2 3.58Å; D68-H200 PolarHBondContact OD2-NE2 3.13Å; E74-H200 IonicContact OE2-CD2 2.81Å; E74-H200 PolarHBondContact OE2-CD2 3.26Å; E74-H200 IonicContact OE2-NE2 2.67Å; E74-H200 PolarHBondContact OE2-NE2 2.91Å
201Q87.8Confident94.9Very high76 Ų7643.8 Ų43.836%0.35522%0.215SC..THydrogen-bonded Turntrans-89-43.2172.7-63.1-55.2-13.800115.1D68 Y99 S101 H199D68-Q201 WeakPolarHBondContact OD2-CG 3.33Å; Y99-Q201 HydrophobicContact CD1-CG 3.99Å; Y99-Q201 HydrophobicContact CE1-CG 4.49Å; Y99-Q201 HydrophobicContact CG-CG 4.15Å; Y99-Q201 VanDerWaalsContact CZ-NE2 3.31Å; S101-Q201 WeakPolarHBondContact OG-CB 3.33Å; S101-Q201 WeakPolarHBondContact OG-CG 3.41Å; H199-Q201 VanDerWaalsContact C-N 3.31Å; H199-Q201 PolarHBondContact ND1-N 3.14Å; H199-Q201 VanDerWaalsContact ND1-N 3.17Å; H199-Q201 PolarHBondContact O-N 3.49Å
202T92.2Very high94.7Very high32 Ų3246.1 Ų46.120%0.19622%0.224CC..THydrogen-bonded Turntrans-104.72.6-16661.70000113.4F104 H199 N204 K205F104-T202 HydrophobicContact CD2-CG2 4.09Å; F104-T202 HydrophobicContact CE2-CG2 4.34Å; H199-T202 VanDerWaalsContact CB-OG1 3.25Å; H199-T202 WeakPolarHBondContact CB-OG1 3.49Å; H199-T202 PolarHBondContact ND1-N 3.43Å; H199-T202 PolarHBondContact O-N 2.83Å; T202-N204 PolarHBondContact O-N 2.91Å; T202-K205 VanDerWaalsContact O-CB 3.27Å; T202-K205 WeakPolarHBondContact O-CB 3.37Å; T202-K205 PolarHBondContact O-N 3.08Å
203G92.5Very high94.6Very high20 Ų2047.9 Ų47.921%0.20623%0.234CC..BIsolated β-bridgetrans56.9-131.2-179.700000111.6H199H199-G203 PolarHBondContact N-O 3.4Å; H199-G203 VanDerWaalsContact O-CA 3.31Å; H199-G203 WeakPolarHBondContact O-CA 3.09Å; H199-G203 PolarHBondContact O-N 2.93Å
204N94.2Very high94.6Very high124 Ų12444.4 Ų44.466%0.66322%0.221SC*.THydrogen-bonded Turntrans-97.519.7179.3-66.4-58000113.4T202 W206T202-N204 PolarHBondContact O-N 2.91Å; N204-W206 PolarHBondContact O-N 2.94Å
205K96.1Very high94.7Very high117 Ų11744 Ų4451%0.50922%0.219SC..SBendtrans-62.7-29.5178.9-179.5178.9169-174.30112.2D105 T202D105-K205 IonicContact OD1-NZ 2.88Å; D105-K205 PolarHBondContact OD1-NZ 3.35Å; D105-K205 IonicContact OD2-NZ 3.7Å; D105-K205 PolarHBondContact OD2-NZ 2.75Å; T202-K205 VanDerWaalsContact O-CB 3.27Å; T202-K205 WeakPolarHBondContact O-CB 3.37Å; T202-K205 PolarHBondContact O-N 3.08Å
206W96.5Very high94.7Very high9 Ų941.8 Ų41.83%0.03421%0.209CC..  trans-126.3140.1-173.6-59.797.1000111.7F104 D105 H108 N204 I208 Y209F104-W206 HydrophobicContact CB-CD2 4.39Å; F104-W206 HydrophobicContact CB-CZ2 3.72Å; F104-W206 AromaticContact CD2-CD1 3.6Å; F104-W206 HydrophobicContact CD2-CG 4.13Å; F104-W206 AromaticContact CD2-NE1 3.68Å; D105-W206 VanDerWaalsContact OD1-CZ2 3.29Å; D105-W206 WeakPolarHBondContact OD1-CZ2 3.37Å; H108-W206 HydrophobicContact CB-CH2 3.72Å; H108-W206 HydrophobicContact CB-CZ3 3.91Å; H108-W206 AromaticContact CG-CZ3 3.93Å; N204-W206 PolarHBondContact O-N 2.94Å; W206-I208 HydrophobicContact CE3-CG1 4.26Å; W206-Y209 HydrophobicContact CB-CE1 4.36Å; W206-Y209 PolarHBondContact O-OH 3.36Å; W206-Y209 VanDerWaalsContact O-OH 3.13Å
207C96.5Very high94.8Very high15 Ų1536.8 Ų36.810%0.10119%0.187CC..SBendtrans-121.31.6165.8660000112.5M161 R162 I194 K195 F196M161-C207 PolarHBondContact O-SG 2.96Å; R162-C207 PolarHBondContact O-SG 2.87Å; I194-C207 CarbonylContact C-O 3.53Å; I194-C207 WeakPolarHBondContact CA-O 3.09Å; K195-C207 PolarHBondContact N-O 3.38Å; K195-C207 CarbonylContact O-C 3.51Å; K195-C207 WeakPolarHBondContact O-CA 3.46Å; K195-C207 VanDerWaalsContact O-O 3.12Å; F196-C207 HydrophobicContact CD1-CB 3.77Å; F196-C207 HydrophobicContact CE1-CB 3.74Å
208I98Very high95.1Very high1 Ų135.6 Ų35.61%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-114.8132.9167.858.1170.2000108.1F158 M161 R162 Y192 R193 I194 W206F158-I208 HydrophobicContact CE1-CD1 4.5Å; F158-I208 HydrophobicContact CE2-CD1 3.79Å; F158-I208 HydrophobicContact CZ-CD1 3.76Å; M161-I208 HydrophobicContact CB-CG2 3.82Å; M161-I208 HydrophobicContact CE-CG2 4.38Å; R162-I208 HydrophobicContact CB-CD1 3.73Å; R162-I208 HydrophobicContact CB-CG1 4.28Å; R162-I208 HydrophobicContact CG-CD1 4.13Å; R162-I208 HydrophobicContact CG-CG1 4.43Å; Y192-I208 HydrophobicContact CD1-CB 3.97Å; Y192-I208 HydrophobicContact CD1-CD1 4.09Å; Y192-I208 HydrophobicContact CD1-CG1 4.08Å; Y192-I208 HydrophobicContact CE1-CD1 4.29Å; Y192-I208 HydrophobicContact CE1-CG1 4.3Å; R193-I208 CarbonylContact O-C 3.55Å; R193-I208 VanDerWaalsContact O-CA 3.29Å; R193-I208 WeakPolarHBondContact O-CA 3.35Å; I194-I208 HydrophobicContact CG1-CG2 4.07Å; W206-I208 HydrophobicContact CE3-CG1 4.26Å
209Y97.6Very high95.4Very high0 Ų029.3 Ų29.30%015%0.148CC..EExtended strand (participates in β ladder)trans-124.4134.7-177.6-68.5-88.2000109.9P71 F104 Y192 R193 K195 A197 H199 W206P71-Y209 HydrophobicContact CB-CE1 4.02Å; P71-Y209 HydrophobicContact CB-CE2 4.33Å; P71-Y209 HydrophobicContact CG-CD1 4.2Å; P71-Y209 HydrophobicContact CG-CD2 3.99Å; P71-Y209 HydrophobicContact CG-CE1 3.9Å; P71-Y209 HydrophobicContact CG-CE2 3.66Å; P71-Y209 HydrophobicContact CG-CG 4.23Å; F104-Y209 HydrophobicContact CE2-CD1 4.04Å; F104-Y209 AromaticContact CE2-CE1 3.98Å; F104-Y209 HydrophobicContact CE2-CE1 3.98Å; F104-Y209 HydrophobicContact CZ-CD1 4.04Å; F104-Y209 HydrophobicContact CZ-CE1 4.37Å; Y192-Y209 WeakPolarHBondContact CA-O 3.22Å; Y192-Y209 VanDerWaalsContact CD1-C 3.41Å; R193-Y209 PolarHBondContact N-O 3.3Å; R193-Y209 PolarHBondContact O-N 3.23Å; K195-Y209 HydrophobicContact CB-CD2 3.8Å; K195-Y209 HydrophobicContact CB-CE2 4.15Å; K195-Y209 WeakPolarHBondContact O-CE2 3.47Å; A197-Y209 PolarHBondContact O-OH 3.34Å; H199-Y209 HydrophobicContact CB-CE1 4.21Å; H199-Y209 AromaticContact CD2-CE1 3.59Å; W206-Y209 HydrophobicContact CB-CE1 4.36Å; W206-Y209 PolarHBondContact O-OH 3.36Å; W206-Y209 VanDerWaalsContact O-OH 3.13Å
210P98Very high95.7Very high2 Ų229.3 Ų29.31%0.01315%0.148CC..EExtended strand (participates in β ladder)trans-69.4153.7178.530.9-34.7000110.4T69 F104 L107 L191 Y192 F214 T215T69-P210 HydrophobicContact CG2-CG 4.34Å; F104-P210 HydrophobicContact CD1-CG 4.03Å; F104-P210 HydrophobicContact CE1-CG 3.82Å; L107-P210 HydrophobicContact CD1-CG 4.02Å; L191-P210 CarbonylContact O-C 3.58Å; L191-P210 VanDerWaalsContact O-CA 3.3Å; L191-P210 WeakPolarHBondContact O-CA 3.11Å; Y192-P210 HydrophobicContact CD1-CB 4.33Å; Y192-P210 HydrophobicContact CE1-CB 3.88Å; Y192-P210 HydrophobicContact CE1-CG 4.27Å; Y192-P210 HydrophobicContact CE2-CB 4.08Å; P210-F214 HydrophobicContact CB-CD1 4.2Å; P210-T215 WeakPolarHBondContact CB-OG1 3.45Å; P210-T215 WeakPolarHBondContact CG-OG1 3.32Å
211M96.9Very high96.3Very high64 Ų6426.4 Ų26.432%0.31514%0.135SC..  trans-83.1158.8173.9-61.5-59.7-6700110.6V190 L191 R193 D213 F214 T215V190-M211 HydrophobicContact CB-CG 4.22Å; V190-M211 HydrophobicContact CG1-CG 3.84Å; V190-M211 HydrophobicContact CG1-SD 4.36Å; V190-M211 WeakPolarHBondContact O-CB 3.28Å; V190-M211 VanDerWaalsContact O-CG 3.24Å; V190-M211 WeakPolarHBondContact O-CG 3.42Å; L191-M211 PolarHBondContact O-N 3.34Å; R193-M211 HydrophobicContact CB-SD 4.27Å; R193-M211 HydrophobicContact CG-SD 3.92Å; M211-D213 VanDerWaalsContact C-N 3.35Å; M211-D213 PolarHBondContact O-N 3.43Å; M211-F214 PolarHBondContact O-N 2.87Å; M211-F214 VanDerWaalsContact O-N 3.16Å; M211-T215 PolarHBondContact O-N 3.26Å; M211-T215 PolarHBondContact O-OG1 3.06Å
212Y95Very high96.8Very high50 Ų5025.7 Ų25.720%0.19613%0.134CC..Hα-helixtrans-48.5-53.1178.3172.6-93.7000112.3D67 F214 T215 H216 F234D67-Y212 WeakPolarHBondContact OD2-CE2 3.43Å; Y212-F214 PolarHBondContact O-N 3.47Å; Y212-F214 VanDerWaalsContact O-N 3.17Å; Y212-T215 PolarHBondContact O-N 3.48Å; Y212-T215 VanDerWaalsContact O-N 3.12Å; Y212-H216 HydrophobicContact CE1-CB 4.36Å; Y212-H216 HydrophobicContact CE2-CB 4.27Å; Y212-H216 AromaticContact CE2-CE1 3.97Å; Y212-H216 AromaticContact CE2-CG 3.95Å; Y212-H216 AromaticContact CE2-ND1 3.41Å; Y212-H216 WeakPolarHBondContact CE2-ND1 3.3Å; Y212-H216 AromaticContact CZ-CE1 3.92Å; Y212-H216 AromaticContact CZ-CG 3.78Å; Y212-H216 AromaticContact CZ-ND1 3.59Å; Y212-H216 VanDerWaalsContact O-CB 3.25Å; Y212-H216 WeakPolarHBondContact O-CB 3.45Å; Y212-H216 PolarHBondContact O-N 2.98Å; Y212-H216 PolarHBondContact OH-CE1 2.85Å; Y212-F234 HydrophobicContact CD1-CD1 4.4Å; Y212-F234 AromaticContact CD1-CE1 3.9Å; Y212-F234 HydrophobicContact CD1-CE1 3.9Å; Y212-F234 AromaticContact CE1-CD1 3.51Å; Y212-F234 HydrophobicContact CE1-CD1 3.51Å; Y212-F234 AromaticContact CE1-CE1 3.22Å; Y212-F234 HydrophobicContact CE1-CE1 3.22Å; Y212-F234 HydrophobicContact CE1-CG 4.47Å; Y212-F234 HydrophobicContact CE1-CZ 4.01Å; Y212-F234 AromaticContact CZ-CE1 3.58Å; Y212-F234 AromaticContact CZ-CZ 3.88Å
213D95.4Very high97Very high38 Ų3825.1 Ų25.120%0.20313%0.128CC..Hα-helixtrans-61.5-30.3-175.2-71.1-54.5000113.9M211 C217 N237 L240M211-D213 VanDerWaalsContact C-N 3.35Å; M211-D213 PolarHBondContact O-N 3.43Å; D213-C217 PolarHBondContact O-SG 2.84Å; D213-C217 VanDerWaalsContact O-SG 3.4Å; D213-N237 PolarHBondContact OD1-ND2 2.81Å; D213-N237 PolarHBondContact OD2-ND2 3.12Å; D213-L240 HydrophobicContact CB-CD2 3.45Å; D213-L240 VanDerWaalsContact CB-CD2 3.45Å; D213-L240 HydrophobicContact CB-CG 4.18Å
214F98.2Very high97.3Very high0 Ų025.3 Ų25.30%013%0.131CC..Hα-helixtrans-81.8-38.3177.4-170.1-117.2000111.8L107 A111 L114 L191 Y192 P210 M211 Y212 I218 V244L107-F214 HydrophobicContact CB-CE1 4.39Å; L107-F214 HydrophobicContact CD2-CD1 4.26Å; L107-F214 HydrophobicContact CD2-CE1 4.24Å; L107-F214 WeakPolarHBondContact O-CE1 3.18Å; A111-F214 HydrophobicContact CB-CE1 4.19Å; A111-F214 HydrophobicContact CB-CZ 4.16Å; L114-F214 HydrophobicContact CD1-CE2 3.71Å; L114-F214 HydrophobicContact CD1-CZ 4.3Å; L191-F214 HydrophobicContact CB-CB 4.42Å; L191-F214 HydrophobicContact CB-CD2 4.45Å; L191-F214 HydrophobicContact CB-CG 4.2Å; L191-F214 HydrophobicContact CD1-CD2 4.27Å; L191-F214 HydrophobicContact CD1-CE2 4.3Å; L191-F214 HydrophobicContact CD2-CB 4.03Å; L191-F214 HydrophobicContact CD2-CD2 3.78Å; L191-F214 HydrophobicContact CD2-CG 4.08Å; L191-F214 HydrophobicContact CG-CD2 4.39Å; Y192-F214 HydrophobicContact CD2-CD1 4.42Å; Y192-F214 HydrophobicContact CD2-CE1 4.47Å; Y192-F214 AromaticContact CE2-CD1 3.87Å; Y192-F214 HydrophobicContact CE2-CD1 3.87Å; Y192-F214 AromaticContact CE2-CE1 3.68Å; Y192-F214 HydrophobicContact CE2-CE1 3.68Å; P210-F214 HydrophobicContact CB-CD1 4.2Å; M211-F214 PolarHBondContact O-N 2.87Å; M211-F214 VanDerWaalsContact O-N 3.16Å; Y212-F214 PolarHBondContact O-N 3.47Å; Y212-F214 VanDerWaalsContact O-N 3.17Å; F214-I218 HydrophobicContact CD1-CD1 4.36Å; F214-I218 HydrophobicContact CD2-CD1 4.01Å; F214-I218 HydrophobicContact CE1-CD1 3.96Å; F214-I218 HydrophobicContact CE2-CD1 3.6Å; F214-I218 HydrophobicContact CG-CD1 4.38Å; F214-I218 HydrophobicContact CZ-CD1 3.57Å; F214-I218 WeakPolarHBondContact O-CD1 3.43Å; F214-I218 WeakPolarHBondContact O-CG1 3.49Å; F214-V244 HydrophobicContact CD2-CG1 3.9Å; F214-V244 HydrophobicContact CD2-CG2 4.11Å; F214-V244 HydrophobicContact CE2-CG1 3.93Å
215T98.2Very high97.4Very high0 Ų019.4 Ų19.40%010%0.099CC..Hα-helixtrans-72.1-44.3-178.4-55.30000112T69 L107 P210 M211 Y212 C217 I218 S219T69-T215 HydrophobicContact CG2-CG2 3.49Å; T69-T215 VanDerWaalsContact CG2-CG2 3.49Å; L107-T215 HydrophobicContact CD1-CG2 3.95Å; P210-T215 WeakPolarHBondContact CB-OG1 3.45Å; P210-T215 WeakPolarHBondContact CG-OG1 3.32Å; M211-T215 PolarHBondContact O-N 3.26Å; M211-T215 PolarHBondContact O-OG1 3.06Å; Y212-T215 PolarHBondContact O-N 3.48Å; Y212-T215 VanDerWaalsContact O-N 3.12Å; T215-C217 PolarHBondContact O-N 2.94Å; T215-I218 PolarHBondContact O-N 3.37Å; T215-S219 VanDerWaalsContact O-CB 3.31Å; T215-S219 WeakPolarHBondContact O-CB 3.42Å; T215-S219 PolarHBondContact O-N 3.31Å; T215-S219 PolarHBondContact O-OG 2.91Å
216H97.7Very high97.5Very high4 Ų414.5 Ų14.52%0.0198%0.079CC..Hα-helixtrans-63.8-48.3-163-16381.7000112.7R31 D67 Y212 D220 Y241R31-H216 PolarHBondContact NH2-CE1 3.1Å; R31-H216 VanDerWaalsContact NH2-CE1 3.27Å; R31-H216 PolarHBondContact NH2-NE2 3.44Å; D67-H216 IonicContact OD2-ND1 3.43Å; D67-H216 PolarHBondContact OD2-ND1 3.39Å; Y212-H216 HydrophobicContact CE1-CB 4.36Å; Y212-H216 HydrophobicContact CE2-CB 4.27Å; Y212-H216 AromaticContact CE2-CE1 3.97Å; Y212-H216 AromaticContact CE2-CG 3.95Å; Y212-H216 AromaticContact CE2-ND1 3.41Å; Y212-H216 WeakPolarHBondContact CE2-ND1 3.3Å; Y212-H216 AromaticContact CZ-CE1 3.92Å; Y212-H216 AromaticContact CZ-CG 3.78Å; Y212-H216 AromaticContact CZ-ND1 3.59Å; Y212-H216 VanDerWaalsContact O-CB 3.25Å; Y212-H216 WeakPolarHBondContact O-CB 3.45Å; Y212-H216 PolarHBondContact O-N 2.98Å; Y212-H216 PolarHBondContact OH-CE1 2.85Å; H216-D220 IonicContact CD2-OD2 3.23Å; H216-D220 VanDerWaalsContact O-CG 3.29Å; H216-D220 PolarHBondContact O-N 3.2Å; H216-D220 VanDerWaalsContact O-N 3.1Å; H216-Y241 AromaticContact CD2-CE2 3.95Å
217C98Very high97.6Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-68.3-42.6179.355.10000112.6D213 T215 D220 A221 Y241 V244 L245D213-C217 PolarHBondContact O-SG 2.84Å; D213-C217 VanDerWaalsContact O-SG 3.4Å; T215-C217 PolarHBondContact O-N 2.94Å; C217-D220 PolarHBondContact O-N 2.9Å; C217-A221 WeakPolarHBondContact O-CB 3.36Å; C217-A221 PolarHBondContact O-N 3.07Å; C217-Y241 VanDerWaalsContact CA-CE2 3.41Å; C217-Y241 HydrophobicContact CB-CD1 3.8Å; C217-Y241 HydrophobicContact CB-CD2 3.47Å; C217-Y241 VanDerWaalsContact CB-CD2 3.47Å; C217-Y241 HydrophobicContact CB-CE1 3.83Å; C217-Y241 HydrophobicContact CB-CE2 3.5Å; C217-Y241 VanDerWaalsContact CB-CE2 3.5Å; C217-Y241 HydrophobicContact CB-CG 3.6Å; C217-V244 WeakPolarHBondContact SG-CG1 3.26Å; C217-L245 HydrophobicContact CB-CD1 4.25Å; C217-L245 HydrophobicContact CB-CD2 4.1Å; C217-L245 HydrophobicContact CB-CG 4.02Å
218I98.6Very high97.7Very high0 Ų013.3 Ų13.30%07%0.072CC..Hα-helixtrans-65.5-42.1179-64.4177.4000110.2L107 Y110 F214 T215 D220 A221 L222 V244 I248 I250L107-I218 HydrophobicContact CD2-CB 3.63Å; L107-I218 HydrophobicContact CD2-CD1 3.66Å; L107-I218 HydrophobicContact CD2-CG1 4.18Å; L107-I218 HydrophobicContact CD2-CG2 3.62Å; L107-I218 HydrophobicContact CG-CG2 4.4Å; Y110-I218 HydrophobicContact CD2-CD1 4.06Å; Y110-I218 HydrophobicContact CD2-CG2 3.71Å; Y110-I218 HydrophobicContact CE2-CG2 3.76Å; Y110-I218 HydrophobicContact CG-CD1 4.39Å; F214-I218 HydrophobicContact CD1-CD1 4.36Å; F214-I218 HydrophobicContact CD2-CD1 4.01Å; F214-I218 HydrophobicContact CE1-CD1 3.96Å; F214-I218 HydrophobicContact CE2-CD1 3.6Å; F214-I218 HydrophobicContact CG-CD1 4.38Å; F214-I218 HydrophobicContact CZ-CD1 3.57Å; F214-I218 WeakPolarHBondContact O-CD1 3.43Å; F214-I218 WeakPolarHBondContact O-CG1 3.49Å; T215-I218 PolarHBondContact O-N 3.37Å; I218-D220 VanDerWaalsContact C-N 3.34Å; I218-D220 PolarHBondContact O-N 3.49Å; I218-A221 PolarHBondContact O-N 2.84Å; I218-L222 HydrophobicContact CG2-CD1 3.84Å; I218-L222 HydrophobicContact CG2-CG 4.13Å; I218-L222 WeakPolarHBondContact O-CB 3.44Å; I218-L222 VanDerWaalsContact O-CG 3.26Å; I218-L222 WeakPolarHBondContact O-CG 3.24Å; I218-L222 PolarHBondContact O-N 2.99Å; I218-V244 HydrophobicContact CD1-CG1 3.87Å; I218-V244 HydrophobicContact CG1-CG1 3.88Å; I218-I248 HydrophobicContact CD1-CD1 3.74Å; I218-I248 HydrophobicContact CG1-CD1 3.61Å; I218-I250 HydrophobicContact CG2-CD1 4.11Å
219S98.3Very high97.7Very high0 Ų013.3 Ų13.30%07%0.072CC..Hα-helixtrans-62.5-42.2176.6-570000111.5R65 T215 A221 L222 E223R65-S219 VanDerWaalsContact CZ-CB 3.46Å; T215-S219 VanDerWaalsContact O-CB 3.31Å; T215-S219 WeakPolarHBondContact O-CB 3.42Å; T215-S219 PolarHBondContact O-N 3.31Å; T215-S219 PolarHBondContact O-OG 2.91Å; S219-A221 VanDerWaalsContact C-N 3.33Å; S219-A221 PolarHBondContact O-N 3.03Å; S219-L222 PolarHBondContact O-N 3.32Å; S219-E223 WeakPolarHBondContact O-CB 3.3Å; S219-E223 WeakPolarHBondContact O-CG 3.44Å; S219-E223 PolarHBondContact O-N 3.24Å
220D98.4Very high97.7Very high0 Ų013.8 Ų13.80%08%0.075CC..Hα-helixtrans-60.4-43.1174.3-74.5-13.2000111.9R31 R65 H216 C217 I218 E223 G224 I225 S228 Y241 P254R31-D220 WeakPolarHBondContact CD-OD1 3.31Å; R31-D220 IonicContact NE-OD1 3.97Å; R31-D220 PolarHBondContact NE-OD1 3.41Å; R31-D220 IonicContact NE-OD2 2.66Å; R65-D220 IonicContact CZ-OD1 2.79Å; R65-D220 VanDerWaalsContact CZ-OD1 3.29Å; R65-D220 IonicContact NH1-OD1 2.94Å; R65-D220 PolarHBondContact NH1-OD1 3.39Å; R65-D220 IonicContact NH2-OD1 3.48Å; R65-D220 PolarHBondContact NH2-OD1 2.88Å; H216-D220 IonicContact CD2-OD2 3.23Å; H216-D220 VanDerWaalsContact O-CG 3.29Å; H216-D220 PolarHBondContact O-N 3.2Å; H216-D220 VanDerWaalsContact O-N 3.1Å; C217-D220 PolarHBondContact O-N 2.9Å; I218-D220 VanDerWaalsContact C-N 3.34Å; I218-D220 PolarHBondContact O-N 3.49Å; D220-E223 PolarHBondContact O-N 3.49Å; D220-G224 PolarHBondContact O-N 2.79Å; D220-I225 HydrophobicContact CB-CB 3.92Å; D220-I225 HydrophobicContact CB-CG1 4.05Å; D220-I225 HydrophobicContact CB-CG2 4.39Å; D220-I225 WeakPolarHBondContact O-CB 3.28Å; D220-I225 WeakPolarHBondContact O-CG1 3.09Å; D220-I225 PolarHBondContact O-N 3.42Å; D220-S228 WeakPolarHBondContact OD2-CB 3.38Å; D220-S228 PolarHBondContact OD2-OG 3.28Å; D220-Y241 WeakPolarHBondContact CB-OH 3.47Å; D220-Y241 PolarHBondContact OD2-OH 3.2Å; D220-P254 HydrophobicContact CB-CB 4.02Å; D220-P254 HydrophobicContact CB-CG 3.68Å
221A98.2Very high97.6Very high3 Ų315.4 Ų15.43%0.0259%0.086CC..Hα-helixtrans-68.7-42.3179.800000112.7C217 I218 S219 E223 G224 L245 I250 V252 P254C217-A221 WeakPolarHBondContact O-CB 3.36Å; C217-A221 PolarHBondContact O-N 3.07Å; I218-A221 PolarHBondContact O-N 2.84Å; S219-A221 VanDerWaalsContact C-N 3.33Å; S219-A221 PolarHBondContact O-N 3.03Å; A221-E223 PolarHBondContact O-N 2.95Å; A221-G224 PolarHBondContact O-N 3.33Å; A221-L245 HydrophobicContact CB-CD2 3.83Å; A221-I250 HydrophobicContact CB-CD1 3.32Å; A221-I250 HydrophobicContact CB-CG1 3.85Å; A221-I250 HydrophobicContact CB-CG2 4.49Å; A221-V252 WeakPolarHBondContact CB-O 3.4Å; A221-P254 HydrophobicContact CB-CG 4.09Å
222L97.9Very high97.5Very high61 Ų6113.7 Ų13.732%0.3198%0.078SC..Hα-helixtrans-63.1-32.4175.3-71.5174.8000112.2Y103 Q106 Y110 I218 S219 I250Y103-L222 HydrophobicContact CD1-CD1 4.06Å; Y103-L222 HydrophobicContact CD2-CD1 4.38Å; Y103-L222 HydrophobicContact CG-CD1 3.82Å; Q106-L222 HydrophobicContact CB-CD1 4.08Å; Q106-L222 HydrophobicContact CG-CD1 4.39Å; Y110-L222 HydrophobicContact CE2-CD2 4.5Å; I218-L222 HydrophobicContact CG2-CD1 3.84Å; I218-L222 HydrophobicContact CG2-CG 4.13Å; I218-L222 WeakPolarHBondContact O-CB 3.44Å; I218-L222 VanDerWaalsContact O-CG 3.26Å; I218-L222 WeakPolarHBondContact O-CG 3.24Å; I218-L222 PolarHBondContact O-N 2.99Å; S219-L222 PolarHBondContact O-N 3.32Å; L222-I250 HydrophobicContact CD2-CD1 4.33Å; L222-I250 HydrophobicContact CG-CD1 4.28Å
223E97.6Very high97.3Very high19 Ų1915.7 Ų15.79%0.0899%0.089CC..THydrogen-bonded Turntrans-84.8-7.4178.4-74.8176.8-165.300114.2H29 N63 R65 R98 Y103 S219 D220 A221 I225H29-E223 PolarHBondContact CE1-O 2.98Å; H29-E223 PolarHBondContact ND1-O 2.96Å; N63-E223 PolarHBondContact ND2-OE2 2.8Å; R65-E223 WeakPolarHBondContact CD-OE1 3.48Å; R65-E223 IonicContact NH1-OE1 3.37Å; R65-E223 IonicContact NH1-OE2 3.77Å; R65-E223 PolarHBondContact NH1-OE2 2.99Å; R98-E223 WeakPolarHBondContact CB-OE1 3.32Å; Y103-E223 HydrophobicContact CE2-CG 4.36Å; Y103-E223 VanDerWaalsContact CE2-OE1 3.3Å; Y103-E223 WeakPolarHBondContact CE2-OE1 3.28Å; Y103-E223 VanDerWaalsContact OH-CG 3.28Å; Y103-E223 WeakPolarHBondContact OH-CG 3.35Å; Y103-E223 PolarHBondContact OH-OE1 2.86Å; S219-E223 WeakPolarHBondContact O-CB 3.3Å; S219-E223 WeakPolarHBondContact O-CG 3.44Å; S219-E223 PolarHBondContact O-N 3.24Å; D220-E223 PolarHBondContact O-N 3.49Å; A221-E223 PolarHBondContact O-N 2.95Å; E223-I225 VanDerWaalsContact C-N 3.31Å; E223-I225 HydrophobicContact CB-CD1 4.15Å; E223-I225 HydrophobicContact CB-CG1 3.98Å
224G97Very high97.3Very high25 Ų2516.8 Ų16.826%0.2589%0.092SC..THydrogen-bonded Turntrans72.823.4-176.600000113.8D220 A221 T226D220-G224 PolarHBondContact O-N 2.79Å; A221-G224 PolarHBondContact O-N 3.33Å; G224-T226 PolarHBondContact O-N 3.42Å
225I98.3Very high97.1Very high0 Ų021.1 Ų21.10%011%0.112CC..  trans-57.5139.8176.1-58.2-53.5000109.2T30 R31 D220 E223 P254T30-I225 WeakPolarHBondContact O-CD1 3.46Å; R31-I225 HydrophobicContact CB-CD1 3.96Å; D220-I225 HydrophobicContact CB-CB 3.92Å; D220-I225 HydrophobicContact CB-CG1 4.05Å; D220-I225 HydrophobicContact CB-CG2 4.39Å; D220-I225 WeakPolarHBondContact O-CB 3.28Å; D220-I225 WeakPolarHBondContact O-CG1 3.09Å; D220-I225 PolarHBondContact O-N 3.42Å; E223-I225 VanDerWaalsContact C-N 3.31Å; E223-I225 HydrophobicContact CB-CD1 4.15Å; E223-I225 HydrophobicContact CB-CG1 3.98Å; I225-P254 HydrophobicContact CB-CB 4.41Å; I225-P254 VanDerWaalsContact O-CB 3.29Å; I225-P254 WeakPolarHBondContact O-CB 3.07Å
226T98Very high97Very high13 Ų1325 Ų258%0.0813%0.132CC..SBendtrans-103.8-44.5179.354.80000110.8H25 H29 G224 R255H25-T226 HydrophobicContact CB-CG2 4.38Å; H29-T226 HydrophobicContact CB-CG2 4.27Å; H29-T226 PolarHBondContact N-OG1 3.09Å; H29-T226 PolarHBondContact O-N 3.04Å; H29-T226 PolarHBondContact O-OG1 3.25Å; G224-T226 PolarHBondContact O-N 3.42Å; T226-R255 PolarHBondContact O-N 2.93Å
227H98.2Very high96.9Very high0 Ų026.2 Ų26.20%014%0.139CC..EExtended strand (participates in β ladder)trans-124.396.7-176.5-59.776.6000108.5I16 D19 H25 H29 T30 L229 Y257I16-H227 WeakPolarHBondContact CG1-NE2 3.46Å; D19-H227 IonicContact OD2-NE2 3.85Å; D19-H227 PolarHBondContact OD2-NE2 3.25Å; H25-H227 AromaticContact CD2-CE1 3.86Å; H29-H227 PolarHBondContact O-N 3.25Å; T30-H227 HydrophobicContact CG2-CB 4.49Å; H227-L229 HydrophobicContact CB-CD2 4.12Å; H227-L229 PolarHBondContact O-N 3.24Å; H227-Y257 HydrophobicContact CB-CD2 4.27Å; H227-Y257 HydrophobicContact CB-CE2 4.28Å; H227-Y257 AromaticContact CD2-CE2 3.48Å; H227-Y257 VanDerWaalsContact CD2-CE2 3.48Å; H227-Y257 WeakPolarHBondContact CD2-CE2 3.38Å
228S98.3Very high96.8Very high0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-82.8106.3177-172.30000109.8R31 D220 R255 Q256 Y257R31-S228 PolarHBondContact NE-OG 2.91Å; R31-S228 PolarHBondContact NH2-OG 3.22Å; D220-S228 WeakPolarHBondContact OD2-CB 3.38Å; D220-S228 PolarHBondContact OD2-OG 3.28Å; S228-R255 PolarHBondContact N-O 3.31Å; S228-Q256 CarbonylContact O-C 3.59Å; S228-Q256 WeakPolarHBondContact O-CA 3.5Å; S228-Y257 PolarHBondContact O-N 3.47Å
229L98Very high96.8Very high1 Ų135.4 Ų35.41%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-98.1119.8-174.3-48.4-176.6000110.4I12 T30 R31 L50 I54 H227 Y257 F259I12-L229 HydrophobicContact CD1-CD1 4.46Å; I12-L229 HydrophobicContact CD1-CD2 4.21Å; I12-L229 HydrophobicContact CG2-CD1 4.28Å; I12-L229 HydrophobicContact CG2-CD2 3.88Å; T30-L229 HydrophobicContact CG2-CD1 4.43Å; R31-L229 PolarHBondContact NH1-O 3.29Å; R31-L229 PolarHBondContact NH2-O 2.91Å; L50-L229 HydrophobicContact CD1-CD1 4.47Å; L50-L229 HydrophobicContact CD2-CD1 4.15Å; L50-L229 HydrophobicContact CG-CD1 3.89Å; I54-L229 HydrophobicContact CD1-CD1 3.49Å; I54-L229 VanDerWaalsContact CD1-CD1 3.49Å; H227-L229 HydrophobicContact CB-CD2 4.12Å; H227-L229 PolarHBondContact O-N 3.24Å; L229-Y257 WeakPolarHBondContact CA-O 3.28Å; L229-Y257 HydrophobicContact CD2-CD2 4.25Å; L229-F259 HydrophobicContact CB-CE1 4.3Å
230C97.1Very high96.8Very high9 Ų935.4 Ų35.46%0.06117%0.174CC..EExtended strand (participates in β ladder)trans-133.8175.217867.80000111.2F234 Q256 Y257 E258 F259C230-F234 HydrophobicContact CB-CD2 4.43Å; C230-Q256 WeakPolarHBondContact SG-CG 3.45Å; C230-Q256 PolarHBondContact SG-NE2 3.36Å; C230-Y257 PolarHBondContact N-O 3.25Å; C230-Y257 VanDerWaalsContact N-O 3.07Å; C230-E258 CarbonylContact O-C 3.59Å; C230-E258 VanDerWaalsContact O-CA 3.25Å; C230-E258 WeakPolarHBondContact O-CA 3.43Å; C230-F259 WeakPolarHBondContact O-CD1 3.39Å; C230-F259 VanDerWaalsContact O-CE1 3.26Å; C230-F259 WeakPolarHBondContact O-CE1 3.46Å; C230-F259 PolarHBondContact O-N 3.41Å
231T95.4Very high96.8Very high37 Ų3735.8 Ų35.823%0.22718%0.175CC..EExtended strand (participates in β ladder)trans-87.9163178.859.60000112E233 F234 F259T231-E233 WeakPolarHBondContact CB-OE2 3.25Å; T231-E233 PolarHBondContact O-N 3.17Å; T231-E233 PolarHBondContact OG1-OE2 2.6Å; T231-F234 PolarHBondContact O-N 3.09Å; T231-F234 VanDerWaalsContact O-N 3.09Å; T231-F259 CarbonylContact C-O 3.46Å; T231-F259 WeakPolarHBondContact CA-O 3.3Å; T231-F259 HydrophobicContact CG2-CE1 4.5Å; T231-F259 HydrophobicContact CG2-CE2 4.03Å; T231-F259 HydrophobicContact CG2-CZ 3.94Å
232L95.2Very high96.7Very high28 Ų2838.5 Ų38.515%0.14719%0.189CC..G310 helixtrans-56.7-21.8-176.7-71.7170.3000114.6F234 Q235 E258 F259 K318L232-F234 PolarHBondContact O-N 3.07Å; L232-Q235 WeakPolarHBondContact O-CB 3.26Å; L232-Q235 PolarHBondContact O-N 3.05Å; L232-E258 HydrophobicContact CD2-CB 3.9Å; L232-F259 PolarHBondContact N-O 3.45Å; L232-K318 VanDerWaalsContact CD1-O 3.29Å; L232-K318 WeakPolarHBondContact CD1-O 3.41Å; L232-K318 HydrophobicContact CD2-CB 4.48Å
233E92.3Very high96.8Very high92 Ų9237.2 Ų37.243%0.4318%0.18SC..G310 helixtrans-56.8-21.8174.7-65.693.5150.600113.4T231 R261T231-E233 WeakPolarHBondContact CB-OE2 3.25Å; T231-E233 PolarHBondContact O-N 3.17Å; T231-E233 PolarHBondContact OG1-OE2 2.6Å; E233-R261 VanDerWaalsContact OE1-CD 3.31Å; E233-R261 WeakPolarHBondContact OE1-CD 3.48Å; E233-R261 IonicContact OE1-CZ 3.87Å; E233-R261 IonicContact OE1-NE 3.94Å; E233-R261 IonicContact OE1-NH1 2.8Å; E233-R261 PolarHBondContact OE1-NH1 3.36Å
234F94.7Very high96.8Very high60 Ų6036.3 Ų36.326%0.26318%0.176SC..G310 helixtrans-105.614.5-180-61.1-80.5000113.8Y212 C230 T231 L232 D236 N237 R238 Q256Y212-F234 HydrophobicContact CD1-CD1 4.4Å; Y212-F234 AromaticContact CD1-CE1 3.9Å; Y212-F234 HydrophobicContact CD1-CE1 3.9Å; Y212-F234 AromaticContact CE1-CD1 3.51Å; Y212-F234 HydrophobicContact CE1-CD1 3.51Å; Y212-F234 AromaticContact CE1-CE1 3.22Å; Y212-F234 HydrophobicContact CE1-CE1 3.22Å; Y212-F234 HydrophobicContact CE1-CG 4.47Å; Y212-F234 HydrophobicContact CE1-CZ 4.01Å; Y212-F234 AromaticContact CZ-CE1 3.58Å; Y212-F234 AromaticContact CZ-CZ 3.88Å; C230-F234 HydrophobicContact CB-CD2 4.43Å; T231-F234 PolarHBondContact O-N 3.09Å; T231-F234 VanDerWaalsContact O-N 3.09Å; L232-F234 PolarHBondContact O-N 3.07Å; F234-D236 PolarHBondContact O-N 3.15Å; F234-N237 HydrophobicContact CB-CB 4.24Å; F234-N237 HydrophobicContact CD1-CB 4.38Å; F234-N237 WeakPolarHBondContact O-CB 3Å; F234-N237 PolarHBondContact O-N 3.42Å; F234-N237 VanDerWaalsContact O-N 3.15Å; F234-R238 PolarHBondContact O-N 2.73Å; F234-Q256 PolarHBondContact O-NE2 2.94Å
235Q94.7Very high96.9Very high92 Ų9235.2 Ų35.243%0.4316%0.164SC..THydrogen-bonded Turntrans-60.6-43.3-177.6-176.1-178.1-58.300112.7L232 N237 R238 E258L232-Q235 WeakPolarHBondContact O-CB 3.26Å; L232-Q235 PolarHBondContact O-N 3.05Å; Q235-N237 VanDerWaalsContact C-N 3.33Å; Q235-R238 WeakPolarHBondContact O-CB 3.48Å; Q235-R238 PolarHBondContact O-N 3.45Å; Q235-E258 HydrophobicContact CB-CG 4.18Å
236D94.1Very high96.8Very high80 Ų8040.4 Ų40.443%0.42819%0.192SC..THydrogen-bonded Turntrans-70.1-33.9176.5-77.5-19.5000111.4V185 F234 R238 R239V185-D236 HydrophobicContact CG1-CB 4.38Å; F234-D236 PolarHBondContact O-N 3.15Å; D236-R238 PolarHBondContact O-N 2.88Å; D236-R239 WeakPolarHBondContact O-CB 3.45Å; D236-R239 PolarHBondContact O-N 3.25Å; D236-R239 VanDerWaalsContact O-N 3.14Å
237N96.5Very high96.9Very high30 Ų3041.7 Ų41.716%0.1620%0.198CC..THydrogen-bonded Turntrans-62.2-21.4178.2-59.864.4000112.9D213 F234 Q235 R239 L240 Y241D213-N237 PolarHBondContact OD1-ND2 2.81Å; D213-N237 PolarHBondContact OD2-ND2 3.12Å; F234-N237 HydrophobicContact CB-CB 4.24Å; F234-N237 HydrophobicContact CD1-CB 4.38Å; F234-N237 WeakPolarHBondContact O-CB 3Å; F234-N237 PolarHBondContact O-N 3.42Å; F234-N237 VanDerWaalsContact O-N 3.15Å; Q235-N237 VanDerWaalsContact C-N 3.33Å; N237-R239 PolarHBondContact O-N 3.25Å; N237-R239 VanDerWaalsContact O-N 3.11Å; N237-L240 PolarHBondContact O-N 3.07Å; N237-Y241 PolarHBondContact O-N 3.48Å
238R96.9Very high96.9Very high79 Ų7942.1 Ų42.130%0.29820%0.201SC..Hα-helixtrans-52.1-35.6172.3-172.816964.5-140.1-5.5112.5F234 Q235 D236 L240 Y241 D242 Q256 E258F234-R238 PolarHBondContact O-N 2.73Å; Q235-R238 WeakPolarHBondContact O-CB 3.48Å; Q235-R238 PolarHBondContact O-N 3.45Å; D236-R238 PolarHBondContact O-N 2.88Å; R238-L240 VanDerWaalsContact C-N 3.3Å; R238-L240 PolarHBondContact O-N 3.48Å; R238-Y241 WeakPolarHBondContact O-CB 3.41Å; R238-Y241 PolarHBondContact O-N 3.18Å; R238-D242 VanDerWaalsContact O-CG 3.24Å; R238-D242 PolarHBondContact O-N 3.34Å; R238-Q256 HydrophobicContact CG-CB 4.06Å; R238-E258 WeakPolarHBondContact CD-OE1 3.34Å; R238-E258 IonicContact CZ-OE1 2.86Å; R238-E258 IonicContact CZ-OE2 3.61Å; R238-E258 IonicContact NE-OE1 3.13Å; R238-E258 IonicContact NH1-OE1 3.45Å; R238-E258 PolarHBondContact NH1-OE1 3.01Å; R238-E258 IonicContact NH1-OE2 3.24Å; R238-E258 PolarHBondContact NH1-OE2 3.16Å
239R97.4Very high96.8Very high115 Ų11547.1 Ų47.143%0.43423%0.232SC..Hα-helixtrans-63.2-39.6179-60.5177.7-178.9-74-3.5112F183 M186 D236 N237 W243F183-R239 VanDerWaalsContact CE2-NE 3.33Å; F183-R239 VanDerWaalsContact CZ-NE 3.35Å; M186-R239 HydrophobicContact CE-CB 4.31Å; M186-R239 HydrophobicContact CG-CB 4.2Å; M186-R239 HydrophobicContact SD-CB 3.57Å; M186-R239 VanDerWaalsContact SD-CB 3.57Å; D236-R239 WeakPolarHBondContact O-CB 3.45Å; D236-R239 PolarHBondContact O-N 3.25Å; D236-R239 VanDerWaalsContact O-N 3.14Å; N237-R239 PolarHBondContact O-N 3.25Å; N237-R239 VanDerWaalsContact O-N 3.11Å; R239-W243 VanDerWaalsContact O-CB 3.3Å; R239-W243 WeakPolarHBondContact O-CB 3.39Å; R239-W243 PolarHBondContact O-N 3.46Å
240L97.8Very high96.8Very high0 Ų047.8 Ų47.80%024%0.235CC..Hα-helixtrans-75.9-37.9177.1-179.556.5000110.9I177 V185 M186 P189 D213 N237 R238 D242 W243 V244I177-L240 HydrophobicContact CD1-CD1 3.86Å; V185-L240 HydrophobicContact CG2-CB 4.01Å; V185-L240 HydrophobicContact CG2-CD2 3.75Å; M186-L240 HydrophobicContact SD-CB 4.13Å; P189-L240 HydrophobicContact CB-CD2 3.77Å; P189-L240 HydrophobicContact CG-CD1 3.61Å; P189-L240 HydrophobicContact CG-CD2 3.56Å; P189-L240 HydrophobicContact CG-CG 4.25Å; D213-L240 HydrophobicContact CB-CD2 3.45Å; D213-L240 VanDerWaalsContact CB-CD2 3.45Å; D213-L240 HydrophobicContact CB-CG 4.18Å; N237-L240 PolarHBondContact O-N 3.07Å; R238-L240 VanDerWaalsContact C-N 3.3Å; R238-L240 PolarHBondContact O-N 3.48Å; L240-D242 PolarHBondContact O-N 2.85Å; L240-W243 HydrophobicContact CD1-CE3 4.08Å; L240-W243 PolarHBondContact O-N 3.07Å; L240-V244 HydrophobicContact CD1-CG2 4.13Å; L240-V244 HydrophobicContact CG-CG2 4.49Å; L240-V244 WeakPolarHBondContact O-CG2 3.16Å; L240-V244 PolarHBondContact O-N 3.16Å
241Y98.2Very high96.5Very high7 Ų753.2 Ų53.23%0.02727%0.27CS..Hα-helixtrans-52.4-54.5171.7-171.4-71.2000110.9H216 C217 D220 N237 R238 V244 L245 P254H216-Y241 AromaticContact CD2-CE2 3.95Å; C217-Y241 VanDerWaalsContact CA-CE2 3.41Å; C217-Y241 HydrophobicContact CB-CD1 3.8Å; C217-Y241 HydrophobicContact CB-CD2 3.47Å; C217-Y241 VanDerWaalsContact CB-CD2 3.47Å; C217-Y241 HydrophobicContact CB-CE1 3.83Å; C217-Y241 HydrophobicContact CB-CE2 3.5Å; C217-Y241 VanDerWaalsContact CB-CE2 3.5Å; C217-Y241 HydrophobicContact CB-CG 3.6Å; D220-Y241 WeakPolarHBondContact CB-OH 3.47Å; D220-Y241 PolarHBondContact OD2-OH 3.2Å; N237-Y241 PolarHBondContact O-N 3.48Å; R238-Y241 WeakPolarHBondContact O-CB 3.41Å; R238-Y241 PolarHBondContact O-N 3.18Å; Y241-V244 PolarHBondContact O-N 3.42Å; Y241-L245 HydrophobicContact CD1-CD1 3.79Å; Y241-L245 HydrophobicContact CE1-CD1 3.4Å; Y241-L245 VanDerWaalsContact CE1-CD1 3.4Å; Y241-L245 HydrophobicContact CE1-CG 4.47Å; Y241-L245 WeakPolarHBondContact O-CG 3.46Å; Y241-L245 PolarHBondContact O-N 3.13Å; Y241-P254 HydrophobicContact CE1-CB 4.49Å; Y241-P254 HydrophobicContact CE1-CG 4.03Å; Y241-P254 WeakPolarHBondContact CE1-O 3.3Å; Y241-P254 VanDerWaalsContact OH-CB 3.32Å; Y241-P254 WeakPolarHBondContact OH-CB 3.37Å; Y241-P254 WeakPolarHBondContact OH-CG 3.47Å
242D98Very high96.3Very high60 Ų6054 Ų5432%0.32128%0.275SS..Hα-helixtrans-63.8-44.3179-62.9-23000110.7R238 L240 V244 L245 D246R238-D242 VanDerWaalsContact O-CG 3.24Å; R238-D242 PolarHBondContact O-N 3.34Å; L240-D242 PolarHBondContact O-N 2.85Å; D242-V244 VanDerWaalsContact C-N 3.35Å; D242-V244 PolarHBondContact O-N 3.31Å; D242-L245 PolarHBondContact O-N 3.16Å; D242-D246 WeakPolarHBondContact O-CB 3.45Å; D242-D246 VanDerWaalsContact O-CG 3.3Å; D242-D246 PolarHBondContact O-N 3.02Å
243W98.3Very high96.3Very high35 Ų3557.2 Ų57.213%0.13329%0.289CS..Hα-helixtrans-59.3-42.3179-179.291.4000112.8L114 L119 A175 I177 M186 R239 L240 N247L114-W243 HydrophobicContact CD1-CH2 4.47Å; L114-W243 HydrophobicContact CD1-CZ3 4.29Å; L114-W243 HydrophobicContact CD2-CH2 4.19Å; L114-W243 HydrophobicContact CD2-CZ3 4.49Å; L119-W243 HydrophobicContact CB-CH2 4.24Å; L119-W243 HydrophobicContact CB-CZ2 4.21Å; A175-W243 HydrophobicContact CB-CH2 3.72Å; A175-W243 HydrophobicContact CB-CZ3 3.76Å; I177-W243 HydrophobicContact CD1-CD2 3.68Å; I177-W243 HydrophobicContact CD1-CE3 3.9Å; I177-W243 HydrophobicContact CD1-CG 4.13Å; I177-W243 HydrophobicContact CD1-CH2 4.43Å; I177-W243 HydrophobicContact CD1-CZ2 4.22Å; I177-W243 HydrophobicContact CD1-CZ3 4.28Å; I177-W243 HydrophobicContact CG1-CD2 4.04Å; I177-W243 HydrophobicContact CG1-CE3 4.43Å; I177-W243 HydrophobicContact CG1-CH2 4.14Å; I177-W243 HydrophobicContact CG1-CZ2 3.69Å; I177-W243 HydrophobicContact CG1-CZ3 4.48Å; M186-W243 HydrophobicContact CE-CB 3.98Å; M186-W243 HydrophobicContact CE-CG 4.19Å; R239-W243 VanDerWaalsContact O-CB 3.3Å; R239-W243 WeakPolarHBondContact O-CB 3.39Å; R239-W243 PolarHBondContact O-N 3.46Å; L240-W243 HydrophobicContact CD1-CE3 4.08Å; L240-W243 PolarHBondContact O-N 3.07Å; W243-N247 PolarHBondContact NE1-ND2 3.22Å; W243-N247 WeakPolarHBondContact O-CB 3.4Å; W243-N247 PolarHBondContact O-N 2.87Å; W243-N247 PolarHBondContact O-ND2 3.39Å
244V98.4Very high96.5Very high0 Ų053.1 Ų53.10%027%0.27CS..Hα-helixtrans-62.3-48.9178.8170.50000109.9F214 C217 I218 L240 Y241 D242 D246 N247 I248F214-V244 HydrophobicContact CD2-CG1 3.9Å; F214-V244 HydrophobicContact CD2-CG2 4.11Å; F214-V244 HydrophobicContact CE2-CG1 3.93Å; C217-V244 WeakPolarHBondContact SG-CG1 3.26Å; I218-V244 HydrophobicContact CD1-CG1 3.87Å; I218-V244 HydrophobicContact CG1-CG1 3.88Å; L240-V244 HydrophobicContact CD1-CG2 4.13Å; L240-V244 HydrophobicContact CG-CG2 4.49Å; L240-V244 WeakPolarHBondContact O-CG2 3.16Å; L240-V244 PolarHBondContact O-N 3.16Å; Y241-V244 PolarHBondContact O-N 3.42Å; D242-V244 VanDerWaalsContact C-N 3.35Å; D242-V244 PolarHBondContact O-N 3.31Å; V244-D246 PolarHBondContact O-N 3.43Å; V244-N247 PolarHBondContact O-N 2.75Å; V244-I248 HydrophobicContact CG1-CD1 4.16Å; V244-I248 WeakPolarHBondContact O-CG1 3.49Å; V244-I248 PolarHBondContact O-N 2.92Å
245L98.1Very high96.6Very high2 Ų256.2 Ų56.21%0.0128%0.28CS..Hα-helixtrans-64-40.7-178.6-63.7177.7000112.5C217 A221 Y241 D242 N247 I250 H253 P254C217-L245 HydrophobicContact CB-CD1 4.25Å; C217-L245 HydrophobicContact CB-CD2 4.1Å; C217-L245 HydrophobicContact CB-CG 4.02Å; A221-L245 HydrophobicContact CB-CD2 3.83Å; Y241-L245 HydrophobicContact CD1-CD1 3.79Å; Y241-L245 HydrophobicContact CE1-CD1 3.4Å; Y241-L245 VanDerWaalsContact CE1-CD1 3.4Å; Y241-L245 HydrophobicContact CE1-CG 4.47Å; Y241-L245 WeakPolarHBondContact O-CG 3.46Å; Y241-L245 PolarHBondContact O-N 3.13Å; D242-L245 PolarHBondContact O-N 3.16Å; L245-N247 PolarHBondContact O-N 3.04Å; L245-I250 HydrophobicContact CD2-CG2 4.04Å; L245-H253 PolarHBondContact O-CE1 3Å; L245-H253 PolarHBondContact O-NE2 3.26Å; L245-P254 HydrophobicContact CD1-CG 3.83Å
246D97.9Very high96.8Very high109 Ų10952 Ų5258%0.58326%0.26SS*.Hα-helixtrans-68-18.6179.1-71.3-16.1000113.5D242 V244 H253D242-D246 WeakPolarHBondContact O-CB 3.45Å; D242-D246 VanDerWaalsContact O-CG 3.3Å; D242-D246 PolarHBondContact O-N 3.02Å; V244-D246 PolarHBondContact O-N 3.43Å; D246-H253 IonicContact OD1-CE1 3.46Å; D246-H253 PolarHBondContact OD1-CE1 2.88Å; D246-H253 IonicContact OD1-ND1 3.43Å; D246-H253 PolarHBondContact OD1-ND1 2.65Å
247N98.3Very high96.9Very high39 Ų3948.5 Ų48.521%0.20924%0.241CC..Hα-helixtrans-110.82.1-173.2-73-81.8000114.6L114 K117 L119 W243 V244 L245L114-N247 HydrophobicContact CD2-CB 3.83Å; L114-N247 WeakPolarHBondContact CD2-O 3.47Å; K117-N247 PolarHBondContact NZ-O 2.71Å; L119-N247 HydrophobicContact CD1-CB 3.79Å; L119-N247 WeakPolarHBondContact CD1-OD1 3.05Å; W243-N247 PolarHBondContact NE1-ND2 3.22Å; W243-N247 WeakPolarHBondContact O-CB 3.4Å; W243-N247 PolarHBondContact O-N 2.87Å; W243-N247 PolarHBondContact O-ND2 3.39Å; V244-N247 PolarHBondContact O-N 2.75Å; L245-N247 PolarHBondContact O-N 3.04Å
248I98.2Very high96.9Very high9 Ų947.1 Ų47.15%0.04623%0.234CC..SBendtrans-119.6160174.867.7-179.3000111.1Y110 L114 I218 V244 I250Y110-I248 HydrophobicContact CD1-CB 3.79Å; Y110-I248 HydrophobicContact CD1-CD1 4.07Å; Y110-I248 HydrophobicContact CD1-CG1 4.27Å; Y110-I248 HydrophobicContact CD1-CG2 4.34Å; Y110-I248 HydrophobicContact CD2-CD1 4.24Å; Y110-I248 HydrophobicContact CE1-CB 4.35Å; Y110-I248 HydrophobicContact CE1-CD1 4.38Å; Y110-I248 HydrophobicContact CG-CB 4.33Å; Y110-I248 HydrophobicContact CG-CD1 4Å; L114-I248 HydrophobicContact CD1-CG2 4.22Å; L114-I248 HydrophobicContact CD2-CG2 3.81Å; L114-I248 HydrophobicContact CG-CG2 3.85Å; I218-I248 HydrophobicContact CD1-CD1 3.74Å; I218-I248 HydrophobicContact CG1-CD1 3.61Å; V244-I248 HydrophobicContact CG1-CD1 4.16Å; V244-I248 WeakPolarHBondContact O-CG1 3.49Å; V244-I248 PolarHBondContact O-N 2.92Å; I248-I250 HydrophobicContact CD1-CB 4.16Å; I248-I250 HydrophobicContact CD1-CD1 4.24Å; I248-I250 HydrophobicContact CD1-CG2 4.01Å; I248-I250 HydrophobicContact CG1-CB 4.04Å; I248-I250 HydrophobicContact CG1-CG2 3.76Å; I248-I250 PolarHBondContact O-N 2.64Å; I248-I250 VanDerWaalsContact O-N 3.14Å
249T97.7Very high96.9Very high106 Ų10643.5 Ų43.565%0.6522%0.22SC*.  trans-87.981.8179.4-56.20000110Y110 E113Y110-T249 WeakPolarHBondContact CE1-O 2.84Å; Y110-T249 PolarHBondContact OH-O 3.29Å; E113-T249 VanDerWaalsContact CD-N 3.31Å; E113-T249 WeakPolarHBondContact OE1-CB 3.43Å; E113-T249 PolarHBondContact OE1-N 2.77Å; E113-T249 PolarHBondContact OE1-OG1 3.45Å; E113-T249 PolarHBondContact OE2-N 3.01Å
250I96.7Very high96.8Very high14 Ų1438 Ų387%0.07220%0.199CC..  trans-126.6137.5-179.7-159.8160.4000110.7Y110 I218 A221 L222 L245 I248Y110-I250 HydrophobicContact CE1-CB 4.49Å; Y110-I250 HydrophobicContact CE2-CD1 4.01Å; I218-I250 HydrophobicContact CG2-CD1 4.11Å; A221-I250 HydrophobicContact CB-CD1 3.32Å; A221-I250 HydrophobicContact CB-CG1 3.85Å; A221-I250 HydrophobicContact CB-CG2 4.49Å; L222-I250 HydrophobicContact CD2-CD1 4.33Å; L222-I250 HydrophobicContact CG-CD1 4.28Å; L245-I250 HydrophobicContact CD2-CG2 4.04Å; I248-I250 HydrophobicContact CD1-CB 4.16Å; I248-I250 HydrophobicContact CD1-CD1 4.24Å; I248-I250 HydrophobicContact CD1-CG2 4.01Å; I248-I250 HydrophobicContact CG1-CB 4.04Å; I248-I250 HydrophobicContact CG1-CG2 3.76Å; I248-I250 PolarHBondContact O-N 2.64Å; I248-I250 VanDerWaalsContact O-N 3.14Å
251P90.5Very high96.6Very high123 Ų12342 Ų4280%0.79922%0.215SC*.SBendtrans-80.5-19-167.429.1-34.9000114.6
252V93Very high96.4Very high55 Ų5542 Ų4233%0.33322%0.215SC..  trans-121.1130.8-174.9-176.60000109.2A221 P254A221-V252 WeakPolarHBondContact CB-O 3.4Å; V252-P254 VanDerWaalsContact O-CD 3.22Å; V252-P254 WeakPolarHBondContact O-CD 3.32Å
253H94.8Very high96.2Very high95 Ų9541.1 Ų41.144%0.4421%0.21SC..  trans-111.984.7176.7-74.7-143.8000108.9L245 D246L245-H253 PolarHBondContact O-CE1 3Å; L245-H253 PolarHBondContact O-NE2 3.26Å; D246-H253 IonicContact OD1-CE1 3.46Å; D246-H253 PolarHBondContact OD1-CE1 2.88Å; D246-H253 IonicContact OD1-ND1 3.43Å; D246-H253 PolarHBondContact OD1-ND1 2.65Å
254P97.1Very high96.1Very high5 Ų539.9 Ų39.93%0.03221%0.206CC..  trans-56.4152.2172.222.7-34.7000111.2D220 A221 I225 Y241 L245 V252D220-P254 HydrophobicContact CB-CB 4.02Å; D220-P254 HydrophobicContact CB-CG 3.68Å; A221-P254 HydrophobicContact CB-CG 4.09Å; I225-P254 HydrophobicContact CB-CB 4.41Å; I225-P254 VanDerWaalsContact O-CB 3.29Å; I225-P254 WeakPolarHBondContact O-CB 3.07Å; Y241-P254 HydrophobicContact CE1-CB 4.49Å; Y241-P254 HydrophobicContact CE1-CG 4.03Å; Y241-P254 WeakPolarHBondContact CE1-O 3.3Å; Y241-P254 VanDerWaalsContact OH-CB 3.32Å; Y241-P254 WeakPolarHBondContact OH-CB 3.37Å; Y241-P254 WeakPolarHBondContact OH-CG 3.47Å; L245-P254 HydrophobicContact CD1-CG 3.83Å; V252-P254 VanDerWaalsContact O-CD 3.22Å; V252-P254 WeakPolarHBondContact O-CD 3.32Å
255R96.1Very high96Very high125 Ų12542 Ų4247%0.47222%0.216SC..EExtended strand (participates in β ladder)trans-110.3131.6174.5-173161.6175.8-159.114.1111.8T226 S228 Y257T226-R255 PolarHBondContact O-N 2.93Å; S228-R255 PolarHBondContact N-O 3.31Å; R255-Y257 HydrophobicContact CB-CE2 3.87Å; R255-Y257 VanDerWaalsContact CD-OH 3.28Å; R255-Y257 WeakPolarHBondContact CD-OH 3.34Å; R255-Y257 HydrophobicContact CG-CE1 4.09Å; R255-Y257 HydrophobicContact CG-CE2 3.86Å; R255-Y257 PolarHBondContact NH1-OH 3.11Å; R255-Y257 WeakPolarHBondContact O-CD2 3.35Å
256Q97.9Very high96Very high4 Ų443.5 Ų43.52%0.01922%0.222CC..EExtended strand (participates in β ladder)trans-80.9134.9174.5-168.5-176.4-8500111.9S228 C230 F234 R238 E258S228-Q256 CarbonylContact O-C 3.59Å; S228-Q256 WeakPolarHBondContact O-CA 3.5Å; C230-Q256 WeakPolarHBondContact SG-CG 3.45Å; C230-Q256 PolarHBondContact SG-NE2 3.36Å; F234-Q256 PolarHBondContact O-NE2 2.94Å; R238-Q256 HydrophobicContact CG-CB 4.06Å; Q256-E258 PolarHBondContact NE2-OE1 2.7Å
257Y97.3Very high95.9Very high7 Ų739.2 Ų39.23%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-132.2130.8172.4-58.3-80.8000110.7I15 D19 H227 S228 L229 C230 R255I15-Y257 HydrophobicContact CD1-CD1 3.92Å; I15-Y257 HydrophobicContact CD1-CE1 3.84Å; I15-Y257 HydrophobicContact CG2-CE1 3.73Å; I15-Y257 HydrophobicContact CG2-CE2 4.35Å; I15-Y257 VanDerWaalsContact CG2-OH 3.28Å; I15-Y257 WeakPolarHBondContact CG2-OH 3.37Å; D19-Y257 PolarHBondContact OD2-OH 3.01Å; H227-Y257 HydrophobicContact CB-CD2 4.27Å; H227-Y257 HydrophobicContact CB-CE2 4.28Å; H227-Y257 AromaticContact CD2-CE2 3.48Å; H227-Y257 VanDerWaalsContact CD2-CE2 3.48Å; H227-Y257 WeakPolarHBondContact CD2-CE2 3.38Å; S228-Y257 PolarHBondContact O-N 3.47Å; L229-Y257 WeakPolarHBondContact CA-O 3.28Å; L229-Y257 HydrophobicContact CD2-CD2 4.25Å; C230-Y257 PolarHBondContact N-O 3.25Å; C230-Y257 VanDerWaalsContact N-O 3.07Å; R255-Y257 HydrophobicContact CB-CE2 3.87Å; R255-Y257 VanDerWaalsContact CD-OH 3.28Å; R255-Y257 WeakPolarHBondContact CD-OH 3.34Å; R255-Y257 HydrophobicContact CG-CE1 4.09Å; R255-Y257 HydrophobicContact CG-CE2 3.86Å; R255-Y257 PolarHBondContact NH1-OH 3.11Å; R255-Y257 WeakPolarHBondContact O-CD2 3.35Å
258E97.2Very high95.8Very high0 Ų037.7 Ų37.70%019%0.192CC..EExtended strand (participates in β ladder)trans-103.9140.5-173.8-47.477.3-161.300112.6F11 C230 L232 Q235 R238 Q256 K318F11-E258 VanDerWaalsContact CZ-O 3.31Å; F11-E258 WeakPolarHBondContact CZ-O 3.28Å; C230-E258 CarbonylContact O-C 3.59Å; C230-E258 VanDerWaalsContact O-CA 3.25Å; C230-E258 WeakPolarHBondContact O-CA 3.43Å; L232-E258 HydrophobicContact CD2-CB 3.9Å; Q235-E258 HydrophobicContact CB-CG 4.18Å; R238-E258 WeakPolarHBondContact CD-OE1 3.34Å; R238-E258 IonicContact CZ-OE1 2.86Å; R238-E258 IonicContact CZ-OE2 3.61Å; R238-E258 IonicContact NE-OE1 3.13Å; R238-E258 IonicContact NH1-OE1 3.45Å; R238-E258 PolarHBondContact NH1-OE1 3.01Å; R238-E258 IonicContact NH1-OE2 3.24Å; R238-E258 PolarHBondContact NH1-OE2 3.16Å; Q256-E258 PolarHBondContact NE2-OE1 2.7Å; E258-K318 WeakPolarHBondContact O-CE 3.31Å; E258-K318 IonicContact OE2-NZ 3.33Å
259F96.3Very high95.5Very high3 Ų338 Ų381%0.01319%0.193CC..EExtended strand (participates in β ladder)trans-128.4157.417265.8-84.4000111.7F11 I12 K46 L50 L229 C230 T231 L232 V316 T317F11-F259 HydrophobicContact CZ-CB 4.44Å; I12-F259 HydrophobicContact CD1-CB 4.45Å; K46-F259 HydrophobicContact CD-CE2 4.41Å; K46-F259 HydrophobicContact CG-CE2 4.46Å; L50-F259 HydrophobicContact CD2-CD1 3.65Å; L50-F259 HydrophobicContact CD2-CD2 4.25Å; L50-F259 HydrophobicContact CD2-CE1 3.75Å; L50-F259 HydrophobicContact CD2-CE2 4.33Å; L50-F259 HydrophobicContact CD2-CG 3.94Å; L50-F259 HydrophobicContact CD2-CZ 4.1Å; L229-F259 HydrophobicContact CB-CE1 4.3Å; C230-F259 WeakPolarHBondContact O-CD1 3.39Å; C230-F259 VanDerWaalsContact O-CE1 3.26Å; C230-F259 WeakPolarHBondContact O-CE1 3.46Å; C230-F259 PolarHBondContact O-N 3.41Å; T231-F259 CarbonylContact C-O 3.46Å; T231-F259 WeakPolarHBondContact CA-O 3.3Å; T231-F259 HydrophobicContact CG2-CE1 4.5Å; T231-F259 HydrophobicContact CG2-CE2 4.03Å; T231-F259 HydrophobicContact CG2-CZ 3.94Å; L232-F259 PolarHBondContact N-O 3.45Å; F259-V316 HydrophobicContact CB-CG1 3.66Å; F259-V316 HydrophobicContact CG-CG1 4.25Å; F259-T317 CarbonylContact C-O 3.59Å; F259-T317 WeakPolarHBondContact CA-O 3.41Å
260S94.9Very high95.2Very high0 Ų035.2 Ų35.20%018%0.178CC..PPolyproline II helixtrans-67.3138.2178.859.80000111.7K46 T317 Q319K46-S260 PolarHBondContact NZ-O 3Å; S260-T317 PolarHBondContact N-O 3.31Å; S260-T317 PolarHBondContact OG-O 2.96Å; S260-T317 PolarHBondContact OG-OG1 3.15Å; S260-T317 VanDerWaalsContact OG-OG1 3.13Å; S260-Q319 WeakPolarHBondContact CB-O 3.22Å; S260-Q319 PolarHBondContact OG-O 3.25Å
261R93.3Very high94.9Very high85 Ų8538.9 Ų38.932%0.32119%0.194SC..PPolyproline II helixtrans-57.9152.617063.6-178.7-68.1134.4-1.3110.1E233 N263E233-R261 VanDerWaalsContact OE1-CD 3.31Å; E233-R261 WeakPolarHBondContact OE1-CD 3.48Å; E233-R261 IonicContact OE1-CZ 3.87Å; E233-R261 IonicContact OE1-NE 3.94Å; E233-R261 IonicContact OE1-NH1 2.8Å; E233-R261 PolarHBondContact OE1-NH1 3.36Å; R261-N263 PolarHBondContact NE-OD1 2.96Å
262L94.6Very high94.9Very high5 Ų541.8 Ų41.83%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-72.5132.4163.4176.361.9000108.1I42 K46 M269 F310 I314 I323I42-L262 HydrophobicContact CG1-CD2 4.01Å; I42-L262 HydrophobicContact CG2-CD2 4.17Å; K46-L262 HydrophobicContact CB-CB 4.5Å; K46-L262 HydrophobicContact CD-CB 4.04Å; L262-M269 HydrophobicContact CG-CE 4.39Å; L262-M269 WeakPolarHBondContact O-CE 2.96Å; L262-F310 HydrophobicContact CD1-CE1 4.4Å; L262-F310 HydrophobicContact CD1-CZ 4.18Å; L262-F310 HydrophobicContact CD2-CE1 3.87Å; L262-F310 HydrophobicContact CD2-CZ 4.36Å; L262-I314 HydrophobicContact CD1-CD1 3.87Å; L262-I323 HydrophobicContact CD1-CB 4.12Å; L262-I323 HydrophobicContact CD1-CG1 3.62Å
263N93.8Very high95Very high42 Ų4240.4 Ų40.423%0.22518%0.178CC..EExtended strand (participates in β ladder)trans-118.9132.2158-58.5-59.3000107.5R261 N321 I323R261-N263 PolarHBondContact NE-OD1 2.96Å; N263-N321 WeakPolarHBondContact CB-O 3.31Å; N263-N321 PolarHBondContact ND2-O 3.15Å; N263-I323 PolarHBondContact O-N 3Å
264L96.3Very high95.1Very high9 Ų936 Ų365%0.04716%0.158CC..EExtended strand (participates in β ladder)trans-118.7132.7-177.4-172.569.3000108.3I42 T267 F310 I323 M325 L328I42-L264 HydrophobicContact CG2-CD2 4.17Å; L264-T267 WeakPolarHBondContact O-CB 3.11Å; L264-F310 HydrophobicContact CD1-CZ 4.1Å; L264-I323 WeakPolarHBondContact CA-O 2.9Å; L264-I323 HydrophobicContact CD1-CB 4.32Å; L264-I323 HydrophobicContact CD1-CG2 4.33Å; L264-M325 HydrophobicContact CD2-CE 3.7Å; L264-M325 HydrophobicContact CD2-SD 3.88Å; L264-M325 HydrophobicContact CG-CE 4.12Å; L264-M325 HydrophobicContact CG-SD 4.33Å; L264-L328 HydrophobicContact CD2-CD2 3.84Å
265E96.4Very high95Very high46 Ų4639.3 Ų39.322%0.21518%0.175CC..THydrogen-bonded Turntrans-59.7156.7176.1-65.6-172.9153.800111.9T267 T322 I323 M325 P480E265-T267 PolarHBondContact O-N 3.01Å; E265-T267 PolarHBondContact O-OG1 3.23Å; E265-T322 HydrophobicContact CG-CG2 3.53Å; E265-I323 PolarHBondContact N-O 2.96Å; E265-M325 WeakPolarHBondContact O-CE 3.31Å; E265-P480 CarbonylContact C-O 3.54Å; E265-P480 WeakPolarHBondContact CA-O 3.18Å; E265-P480 HydrophobicContact CB-CB 4.39Å; E265-P480 HydrophobicContact CG-CB 4.28Å
266Y97.2Very high95Very high32 Ų3235.7 Ų35.713%0.12517%0.165CC..THydrogen-bonded Turntrans56.224.4178.4-53.7-87.9000113.5M325 F477 V479 P480 W549Y266-M325 HydrophobicContact CD2-CB 4.1Å; Y266-F477 WeakPolarHBondContact CD1-O 3.46Å; Y266-F477 WeakPolarHBondContact O-CD2 3.2Å; Y266-V479 WeakPolarHBondContact CA-O 3.39Å; Y266-V479 VanDerWaalsContact CD1-O 3.22Å; Y266-V479 WeakPolarHBondContact CD1-O 3.38Å; Y266-V479 VanDerWaalsContact CE1-C 3.46Å; Y266-P480 HydrophobicContact CE1-CG 4.2Å; Y266-P480 HydrophobicContact CE2-CB 4.31Å; Y266-P480 HydrophobicContact CE2-CG 4.34Å; Y266-P480 PolarHBondContact N-O 2.87Å; Y266-W549 HydrophobicContact CD1-CE3 4.32Å; Y266-W549 HydrophobicContact CD1-CH2 4.41Å; Y266-W549 AromaticContact CD1-CZ3 3.87Å; Y266-W549 HydrophobicContact CD1-CZ3 3.87Å; Y266-W549 AromaticContact CE1-CE3 3.68Å; Y266-W549 HydrophobicContact CE1-CE3 3.68Å; Y266-W549 HydrophobicContact CE1-CH2 4.39Å; Y266-W549 AromaticContact CE1-CZ3 3.43Å; Y266-W549 HydrophobicContact CE1-CZ3 3.43Å; Y266-W549 VanDerWaalsContact CE1-CZ3 3.43Å; Y266-W549 AromaticContact CZ-CE3 3.94Å
267T97Very high94.9Very high19 Ų1935.5 Ų35.512%0.11716%0.164CC..  trans-140.6146-172.3-52.80000111L264 E265 M269 P292 M325L264-T267 WeakPolarHBondContact O-CB 3.11Å; E265-T267 PolarHBondContact O-N 3.01Å; E265-T267 PolarHBondContact O-OG1 3.23Å; T267-M269 HydrophobicContact CG2-CG 4.21Å; T267-P292 HydrophobicContact CG2-CB 3.43Å; T267-P292 VanDerWaalsContact CG2-CB 3.43Å; T267-P292 HydrophobicContact CG2-CG 3.61Å; T267-M325 WeakPolarHBondContact OG1-CE 3.37Å
268V95.6Very high94.9Very high7 Ų736.6 Ų36.64%0.04217%0.171CC..  trans-111.4137.4164.3-60.70000109.3K273 L274 L277 P292 F477 P482 F488V268-K273 HydrophobicContact CB-CB 4.24Å; V268-K273 HydrophobicContact CB-CD 4.28Å; V268-K273 HydrophobicContact CG1-CD 4.05Å; V268-K273 HydrophobicContact CG2-CB 4.02Å; V268-L274 HydrophobicContact CG2-CD2 4.03Å; V268-L274 WeakPolarHBondContact O-CD2 3.4Å; V268-L277 HydrophobicContact CG2-CD1 3.94Å; V268-P292 WeakPolarHBondContact O-CG 3.21Å; V268-F477 HydrophobicContact CB-CE2 4.34Å; V268-F477 HydrophobicContact CG1-CE2 3.91Å; V268-F477 HydrophobicContact CG1-CZ 3.94Å; V268-F477 HydrophobicContact CG2-CE2 3.82Å; V268-F477 HydrophobicContact CG2-CZ 3.89Å; V268-P482 HydrophobicContact CG1-CB 4.1Å; V268-P482 HydrophobicContact CG1-CG 3.78Å; V268-F488 HydrophobicContact CG1-CD2 4.09Å; V268-F488 HydrophobicContact CG2-CE2 4.45Å
269M92.9Very high94.8Very high15 Ų1540.2 Ų40.27%0.07419%0.193CC..  trans-120.71.1177.3-72.5-175.6-72.500113.2H41 I42 G43 L262 T267 K271H41-M269 PolarHBondContact NE2-O 3.07Å; I42-M269 HydrophobicContact CG2-SD 3.69Å; G43-M269 PolarHBondContact N-SD 3.15Å; L262-M269 HydrophobicContact CG-CE 4.39Å; L262-M269 WeakPolarHBondContact O-CE 2.96Å; T267-M269 HydrophobicContact CG2-CG 4.21Å; M269-K271 PolarHBondContact O-N 3.45Å
270S91.2Very high94.8Very high49 Ų4944 Ų4434%0.34321%0.214SC..  trans-73.3129.4175.770.20000109.8R272 K273 L274S270-R272 PolarHBondContact O-N 3.16Å; S270-R272 VanDerWaalsContact O-N 3.16Å; S270-K273 PolarHBondContact O-N 3.08Å; S270-K273 VanDerWaalsContact OG-CB 3.3Å; S270-K273 WeakPolarHBondContact OG-CB 3.43Å; S270-K273 WeakPolarHBondContact OG-CG 3.44Å; S270-L274 PolarHBondContact O-N 3.44Å
271K89.7Confident94.9Very high91 Ų9152.6 Ų52.640%0.39625%0.251SS..Hα-helixtrans-52.9-39.1-179.7-173.2179.3176.8-174.90112.9N37 M269 L274 N275N37-K271 VanDerWaalsContact C-NZ 3.28Å; N37-K271 PolarHBondContact ND2-NZ 2.87Å; N37-K271 WeakPolarHBondContact O-CE 3.41Å; N37-K271 PolarHBondContact O-NZ 3.3Å; N37-K271 PolarHBondContact OD1-NZ 3.21Å; M269-K271 PolarHBondContact O-N 3.45Å; K271-L274 PolarHBondContact O-N 3.5Å; K271-N275 VanDerWaalsContact O-CB 3.26Å; K271-N275 WeakPolarHBondContact O-CB 3.37Å; K271-N275 PolarHBondContact O-N 3.42Å
272R91.4Very high95.1Very high183 Ų18351.9 Ų51.969%0.69125%0.251SS*.Hα-helixtrans-59.9-46.5175.7-172.1-179.17287.2-4.9112.2S270 L276S270-R272 PolarHBondContact O-N 3.16Å; S270-R272 VanDerWaalsContact O-N 3.16Å; R272-L276 PolarHBondContact O-N 3.49Å; R272-L276 VanDerWaalsContact O-N 3.16Å
273K95.3Very high95.3Very high26 Ų2651.9 Ų51.911%0.11325%0.252CS..Hα-helixtrans-71.7-39.9-179.8-69.9-173.6174.8-168.40111.5V268 S270 L276 L277 G483 F488V268-K273 HydrophobicContact CB-CB 4.24Å; V268-K273 HydrophobicContact CB-CD 4.28Å; V268-K273 HydrophobicContact CG1-CD 4.05Å; V268-K273 HydrophobicContact CG2-CB 4.02Å; S270-K273 PolarHBondContact O-N 3.08Å; S270-K273 VanDerWaalsContact OG-CB 3.3Å; S270-K273 WeakPolarHBondContact OG-CB 3.43Å; S270-K273 WeakPolarHBondContact OG-CG 3.44Å; K273-L276 PolarHBondContact O-N 3.27Å; K273-L277 WeakPolarHBondContact O-CG 3.35Å; K273-L277 PolarHBondContact O-N 3.45Å; K273-L277 VanDerWaalsContact O-N 3.11Å; K273-G483 PolarHBondContact NZ-O 3.25Å; K273-F488 HydrophobicContact CB-CD2 4.48Å; K273-F488 HydrophobicContact CB-CE1 4.1Å; K273-F488 HydrophobicContact CB-CE2 3.85Å; K273-F488 HydrophobicContact CB-CZ 3.64Å; K273-F488 HydrophobicContact CD-CD1 3.89Å; K273-F488 HydrophobicContact CD-CD2 4.17Å; K273-F488 HydrophobicContact CD-CE1 4.08Å; K273-F488 HydrophobicContact CD-CE2 4.35Å; K273-F488 HydrophobicContact CD-CG 3.94Å; K273-F488 HydrophobicContact CD-CZ 4.3Å; K273-F488 HydrophobicContact CG-CD1 4.06Å; K273-F488 HydrophobicContact CG-CE1 3.71Å; K273-F488 HydrophobicContact CG-CE2 4.22Å; K273-F488 HydrophobicContact CG-CG 4.46Å; K273-F488 HydrophobicContact CG-CZ 3.8Å
274L96.4Very high95.4Very high2 Ų253.3 Ų53.31%0.0126%0.257CS..Hα-helixtrans-62.4-43175.3-69.3176.4000112.2V268 S270 K271 L276 L277 V278 W286 M291 P292V268-L274 HydrophobicContact CG2-CD2 4.03Å; V268-L274 WeakPolarHBondContact O-CD2 3.4Å; S270-L274 PolarHBondContact O-N 3.44Å; K271-L274 PolarHBondContact O-N 3.5Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 3.4Å; L274-L277 HydrophobicContact CD2-CD1 4.33Å; L274-L277 PolarHBondContact O-N 3.02Å; L274-V278 PolarHBondContact O-N 3.35Å; L274-W286 HydrophobicContact CB-CH2 3.99Å; L274-W286 HydrophobicContact CB-CZ3 3.7Å; L274-W286 HydrophobicContact CD1-CZ3 4.43Å; L274-M291 HydrophobicContact CB-CE 4.09Å; L274-M291 HydrophobicContact CD2-CE 3.71Å; L274-M291 HydrophobicContact CD2-SD 4.09Å; L274-M291 HydrophobicContact CG-CE 4.46Å; L274-P292 HydrophobicContact CD2-CG 3.8Å
275N94.3Very high95.4Very high76 Ų7653.3 Ų53.341%0.40626%0.259SS..Hα-helixtrans-60.9-44.2175.5-178.1-97.5000111.2K271 L277 V278 T279 W286K271-N275 VanDerWaalsContact O-CB 3.26Å; K271-N275 WeakPolarHBondContact O-CB 3.37Å; K271-N275 PolarHBondContact O-N 3.42Å; N275-L277 VanDerWaalsContact C-N 3.34Å; N275-L277 PolarHBondContact O-N 3.05Å; N275-V278 PolarHBondContact O-N 3.39Å; N275-V278 VanDerWaalsContact O-N 3.07Å; N275-T279 WeakPolarHBondContact O-CG2 3.48Å; N275-T279 PolarHBondContact O-N 3Å; N275-T279 PolarHBondContact O-OG1 3.16Å; N275-W286 HydrophobicContact CB-CH2 4.24Å; N275-W286 HydrophobicContact CB-CZ2 4.19Å
276L95.7Very high95.3Very high49 Ų4952.7 Ų52.726%0.25726%0.255SS..Hα-helixtrans-59.2-42.3177.7-165.471.2000112.6R272 K273 L274 V278 T279 D280 F488 L489R272-L276 PolarHBondContact O-N 3.49Å; R272-L276 VanDerWaalsContact O-N 3.16Å; K273-L276 PolarHBondContact O-N 3.27Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 3.4Å; L276-V278 PolarHBondContact O-N 3.43Å; L276-T279 WeakPolarHBondContact CA-OG1 3.26Å; L276-T279 PolarHBondContact O-N 3.25Å; L276-T279 PolarHBondContact O-OG1 3.05Å; L276-D280 WeakPolarHBondContact CD1-OD2 3.48Å; L276-D280 WeakPolarHBondContact CG-OD2 3.2Å; L276-D280 VanDerWaalsContact O-CB 3.25Å; L276-D280 WeakPolarHBondContact O-CB 3.4Å; L276-D280 PolarHBondContact O-N 2.96Å; L276-F488 HydrophobicContact CB-CZ 4.3Å; L276-F488 HydrophobicContact CD2-CE1 3.7Å; L276-F488 HydrophobicContact CD2-CZ 3.82Å; L276-L489 HydrophobicContact CD2-CD1 3.88Å; L276-L489 HydrophobicContact CD2-CD2 4.43Å; L276-L489 HydrophobicContact CD2-CG 4.35Å; L276-L489 HydrophobicContact CG-CD1 4.5Å
277L97.3Very high95.3Very high0 Ų053 Ų530%026%0.259CS..Hα-helixtrans-57.2-37.2175.9-70.7167.8000112.3V268 K273 L274 N275 K281 H282 V283 M291 L476 F477 F488 L489 I492V268-L277 HydrophobicContact CG2-CD1 3.94Å; K273-L277 WeakPolarHBondContact O-CG 3.35Å; K273-L277 PolarHBondContact O-N 3.45Å; K273-L277 VanDerWaalsContact O-N 3.11Å; L274-L277 HydrophobicContact CD2-CD1 4.33Å; L274-L277 PolarHBondContact O-N 3.02Å; N275-L277 VanDerWaalsContact C-N 3.34Å; N275-L277 PolarHBondContact O-N 3.05Å; L277-K281 PolarHBondContact O-N 2.87Å; L277-H282 HydrophobicContact CD2-CB 3.9Å; L277-H282 PolarHBondContact O-N 3.47Å; L277-V283 HydrophobicContact CB-CG2 4.08Å; L277-V283 PolarHBondContact O-N 2.77Å; L277-M291 HydrophobicContact CB-SD 4.38Å; L277-M291 HydrophobicContact CD1-SD 4.01Å; L277-L476 HydrophobicContact CD1-CD2 3.86Å; L277-F477 HydrophobicContact CD1-CZ 4.12Å; L277-F477 HydrophobicContact CD2-CZ 4.25Å; L277-F488 HydrophobicContact CD1-CE2 4.46Å; L277-F488 HydrophobicContact CD2-CE2 4.06Å; L277-F488 HydrophobicContact CG-CE2 4.05Å; L277-L489 HydrophobicContact CD2-CD2 3.93Å; L277-I492 HydrophobicContact CD2-CD1 3.98Å
278V96.1Very high95.4Very high29 Ų2952.1 Ų52.118%0.17625%0.253CS..Hα-helixtrans-79.5-49.6-179.5176.80000111.2L274 N275 L276 D280 K281 V283 W286 M291L274-V278 PolarHBondContact O-N 3.35Å; N275-V278 PolarHBondContact O-N 3.39Å; N275-V278 VanDerWaalsContact O-N 3.07Å; L276-V278 PolarHBondContact O-N 3.43Å; V278-D280 VanDerWaalsContact C-N 3.31Å; V278-D280 PolarHBondContact O-N 2.91Å; V278-K281 PolarHBondContact O-N 2.81Å; V278-V283 HydrophobicContact CB-CG2 4.48Å; V278-V283 HydrophobicContact CG2-CG2 3.77Å; V278-W286 HydrophobicContact CG2-CD2 3.97Å; V278-W286 HydrophobicContact CG2-CE3 4.46Å; V278-W286 HydrophobicContact CG2-CG 4.15Å; V278-M291 HydrophobicContact CG2-CE 3.79Å
279T95.5Very high95.5Very high76 Ų7651.8 Ų51.847%0.46625%0.251SS..Hα-helixtrans-64.6-38.2-176.955.60000111.9N275 L276 K281N275-T279 WeakPolarHBondContact O-CG2 3.48Å; N275-T279 PolarHBondContact O-N 3Å; N275-T279 PolarHBondContact O-OG1 3.16Å; L276-T279 WeakPolarHBondContact CA-OG1 3.26Å; L276-T279 PolarHBondContact O-N 3.25Å; L276-T279 PolarHBondContact O-OG1 3.05Å; T279-K281 PolarHBondContact O-N 2.8Å
280D97Very high95.8Very high83 Ų8353 Ų5344%0.44426%0.255SS..THydrogen-bonded Turntrans-895.8-178-59.78.8000111.5L276 V278 H282L276-D280 WeakPolarHBondContact CD1-OD2 3.48Å; L276-D280 WeakPolarHBondContact CG-OD2 3.2Å; L276-D280 VanDerWaalsContact O-CB 3.25Å; L276-D280 WeakPolarHBondContact O-CB 3.4Å; L276-D280 PolarHBondContact O-N 2.96Å; V278-D280 VanDerWaalsContact C-N 3.31Å; V278-D280 PolarHBondContact O-N 2.91Å; D280-H282 VanDerWaalsContact C-N 3.3Å; D280-H282 PolarHBondContact O-N 3.44Å
281K97Very high96.1Very high181 Ų18150.7 Ų50.779%0.78724%0.239SC*.THydrogen-bonded Turntrans60.631173.4-53.6-179-179.6179.20114.8L277 V278 T279L277-K281 PolarHBondContact O-N 2.87Å; V278-K281 PolarHBondContact O-N 2.81Å; T279-K281 PolarHBondContact O-N 2.8Å
282H97.3Very high96.5Very high69 Ų6947 Ų4732%0.31922%0.224SC..SBendtrans-70.4-25.3167.4-65.3-72.4000111.9L277 D280 I492L277-H282 HydrophobicContact CD2-CB 3.9Å; L277-H282 PolarHBondContact O-N 3.47Å; D280-H282 VanDerWaalsContact C-N 3.3Å; D280-H282 PolarHBondContact O-N 3.44Å; H282-I492 HydrophobicContact CB-CD1 3.96Å
283V97.6Very high96.8Very high6 Ų638.2 Ų38.24%0.03619%0.191CC..SBendtrans-126.2161170.5-63.10000110.4L277 V278 G285 D288 M291 L476L277-V283 HydrophobicContact CB-CG2 4.08Å; L277-V283 PolarHBondContact O-N 2.77Å; V278-V283 HydrophobicContact CB-CG2 4.48Å; V278-V283 HydrophobicContact CG2-CG2 3.77Å; V283-G285 VanDerWaalsContact C-N 3.28Å; V283-G285 PolarHBondContact O-N 3.27Å; V283-D288 HydrophobicContact CB-CB 3.86Å; V283-D288 WeakPolarHBondContact CB-OD2 3.4Å; V283-D288 HydrophobicContact CG1-CB 4.47Å; V283-M291 HydrophobicContact CB-CG 4.23Å; V283-M291 HydrophobicContact CB-SD 4.41Å; V283-M291 HydrophobicContact CG1-CG 4.16Å; V283-M291 HydrophobicContact CG1-SD 4.08Å; V283-M291 HydrophobicContact CG2-CE 4.41Å; V283-M291 HydrophobicContact CG2-CG 3.95Å; V283-M291 HydrophobicContact CG2-SD 3.79Å; V283-L476 HydrophobicContact CG1-CD1 4.24Å; V283-L476 HydrophobicContact CG1-CD2 4.3Å
284E95.8Very high96.9Very high71 Ų7137 Ų3733%0.33219%0.186SC..SBendtrans-74.2-19.2-176.278.3-170.5147.700113.6D288 R299 H531E284-D288 HydrophobicContact CG-CB 3.87Å; E284-D288 WeakPolarHBondContact CG-OD2 2.97Å; E284-D288 PolarHBondContact N-OD2 2.86Å; E284-R299 IonicContact OE1-CZ 3.92Å; E284-R299 IonicContact OE1-NH1 3.31Å; E284-R299 PolarHBondContact OE1-NH1 3.34Å; E284-R299 IonicContact OE1-NH2 3.38Å; E284-R299 PolarHBondContact OE1-NH2 3.49Å; E284-R299 IonicContact OE2-NH1 2.87Å; E284-R299 IonicContact OE2-NH2 3.86Å; E284-R299 PolarHBondContact OE2-NH2 2.93Å; E284-H531 IonicContact OE2-CD2 2.75Å; E284-H531 IonicContact OE2-CE1 3.1Å; E284-H531 IonicContact OE2-NE2 2.77Å; E284-H531 PolarHBondContact OE2-NE2 2.87Å
285G96.1Very high97Very high9 Ų937.5 Ų37.59%0.09319%0.189CC..SBendtrans167.6-174-17500000112.2V283 D287 D288V283-G285 VanDerWaalsContact C-N 3.28Å; V283-G285 PolarHBondContact O-N 3.27Å; G285-D287 VanDerWaalsContact C-N 3.28Å; G285-D287 PolarHBondContact O-N 3.06Å; G285-D288 WeakPolarHBondContact O-CB 3.47Å; G285-D288 PolarHBondContact O-N 2.91Å
286W96Very high97.1Very high33 Ų3333.9 Ų33.913%0.12517%0.17CC..THydrogen-bonded Turntrans-71.7-22.3179.4-71.899.5000113.9Y39 L274 N275 V278 M291 T293 S295Y39-W286 HydrophobicContact CD2-CB 3.5Å; Y39-W286 AromaticContact CD2-CD1 3.74Å; Y39-W286 AromaticContact CD2-CD2 3.3Å; Y39-W286 HydrophobicContact CD2-CD2 3.3Å; Y39-W286 AromaticContact CD2-CE2 3.83Å; Y39-W286 AromaticContact CD2-CE3 3.67Å; Y39-W286 HydrophobicContact CD2-CE3 3.67Å; Y39-W286 AromaticContact CD2-CG 3.23Å; Y39-W286 HydrophobicContact CD2-CG 3.23Å; Y39-W286 HydrophobicContact CD2-CZ3 4.45Å; Y39-W286 HydrophobicContact CE2-CB 3.49Å; Y39-W286 VanDerWaalsContact CE2-CB 3.49Å; Y39-W286 AromaticContact CE2-CD1 3.19Å; Y39-W286 AromaticContact CE2-CD2 3.65Å; Y39-W286 HydrophobicContact CE2-CD2 3.65Å; Y39-W286 AromaticContact CE2-CE2 3.93Å; Y39-W286 HydrophobicContact CE2-CE3 4.46Å; Y39-W286 AromaticContact CE2-CG 3.16Å; Y39-W286 HydrophobicContact CE2-CG 3.16Å; Y39-W286 AromaticContact CE2-NE1 3.66Å; Y39-W286 HydrophobicContact CG-CB 4.03Å; Y39-W286 HydrophobicContact CG-CD2 4.33Å; Y39-W286 HydrophobicContact CG-CE3 4.4Å; Y39-W286 HydrophobicContact CG-CG 4.21Å; L274-W286 HydrophobicContact CB-CH2 3.99Å; L274-W286 HydrophobicContact CB-CZ3 3.7Å; L274-W286 HydrophobicContact CD1-CZ3 4.43Å; N275-W286 HydrophobicContact CB-CH2 4.24Å; N275-W286 HydrophobicContact CB-CZ2 4.19Å; V278-W286 HydrophobicContact CG2-CD2 3.97Å; V278-W286 HydrophobicContact CG2-CE3 4.46Å; V278-W286 HydrophobicContact CG2-CG 4.15Å; W286-M291 HydrophobicContact CE3-CE 3.97Å; W286-M291 HydrophobicContact CZ3-CE 4.27Å; W286-T293 HydrophobicContact CE3-CG2 3.92Å; W286-T293 WeakPolarHBondContact O-CB 3.34Å; W286-T293 WeakPolarHBondContact O-CG2 3.44Å; W286-T293 PolarHBondContact O-OG1 3.49Å; W286-S295 PolarHBondContact O-OG 2.57Å
287D96.8Very high97.3Very high38 Ų3832 Ų3220%0.20316%0.16CC..THydrogen-bonded Turntrans-9610.2175.269.1-43.4000112.8G285 R299 R530G285-D287 VanDerWaalsContact C-N 3.28Å; G285-D287 PolarHBondContact O-N 3.06Å; D287-R299 WeakPolarHBondContact O-CD 3.12Å; D287-R299 IonicContact OD1-NH1 3.66Å; D287-R299 WeakPolarHBondContact OD2-CD 3.46Å; D287-R299 IonicContact OD2-CZ 3.73Å; D287-R299 IonicContact OD2-NE 2.68Å; D287-R299 IonicContact OD2-NH1 3.9Å; D287-R299 PolarHBondContact OD2-NH1 3.47Å; D287-R530 VanDerWaalsContact CG-NH1 3.32Å; D287-R530 IonicContact OD1-CZ 3.67Å; D287-R530 IonicContact OD1-NH1 2.78Å; D287-R530 PolarHBondContact OD1-NH1 3.04Å; D287-R530 IonicContact OD2-NH1 2.88Å; D287-R530 PolarHBondContact OD2-NH1 3.5Å; D287-R530 VanDerWaalsContact OD2-NH1 3.12Å
288D98.3Very high97.3Very high1 Ų134.7 Ų34.71%0.00517%0.17CC..  trans-56.6131.1174.1-170.5-59.8000109.6V283 E284 G285 R290 M291 G296V283-D288 HydrophobicContact CB-CB 3.86Å; V283-D288 WeakPolarHBondContact CB-OD2 3.4Å; V283-D288 HydrophobicContact CG1-CB 4.47Å; E284-D288 HydrophobicContact CG-CB 3.87Å; E284-D288 WeakPolarHBondContact CG-OD2 2.97Å; E284-D288 PolarHBondContact N-OD2 2.86Å; G285-D288 WeakPolarHBondContact O-CB 3.47Å; G285-D288 PolarHBondContact O-N 2.91Å; D288-R290 PolarHBondContact O-N 3.16Å; D288-R290 VanDerWaalsContact OD1-CB 3.27Å; D288-R290 WeakPolarHBondContact OD1-CB 3.36Å; D288-R290 WeakPolarHBondContact OD1-CG 3.49Å; D288-R290 IonicContact OD1-CZ 3.56Å; D288-R290 PolarHBondContact OD1-N 2.73Å; D288-R290 IonicContact OD1-NE 2.95Å; D288-R290 PolarHBondContact OD1-NE 3.4Å; D288-R290 IonicContact OD1-NH2 3.58Å; D288-R290 IonicContact OD2-CZ 3.27Å; D288-R290 IonicContact OD2-NE 3.95Å; D288-R290 PolarHBondContact OD2-NE 3Å; D288-R290 IonicContact OD2-NH2 3.39Å; D288-R290 PolarHBondContact OD2-NH2 2.85Å; D288-M291 HydrophobicContact CB-CG 3.9Å; D288-M291 VanDerWaalsContact O-CB 3.31Å; D288-M291 WeakPolarHBondContact O-CB 3.31Å; D288-M291 PolarHBondContact O-N 2.7Å; D288-G296 WeakPolarHBondContact O-CA 3.16Å
289P98.3Very high97.4Very high0 Ų033.8 Ų33.80%016%0.164CC..THydrogen-bonded Turntrans-56.5-17.1178.2-32.540.8000115.8R299 R300 Y473P289-R299 HydrophobicContact CG-CG 4.22Å; P289-R300 HydrophobicContact CB-CB 3.74Å; P289-R300 HydrophobicContact CB-CG 4.19Å; P289-R300 WeakPolarHBondContact O-CD 3.33Å; P289-R300 PolarHBondContact O-NH1 3.47Å; P289-Y473 HydrophobicContact CB-CD1 3.91Å; P289-Y473 HydrophobicContact CB-CD2 3.79Å; P289-Y473 HydrophobicContact CB-CE1 3.69Å; P289-Y473 HydrophobicContact CB-CE2 3.61Å; P289-Y473 HydrophobicContact CB-CG 3.93Å; P289-Y473 HydrophobicContact CG-CD2 4.32Å; P289-Y473 HydrophobicContact CG-CE1 4.01Å; P289-Y473 HydrophobicContact CG-CE2 3.64Å; P289-Y473 VanDerWaalsContact CG-CZ 3.44Å; P289-Y473 WeakPolarHBondContact CG-OH 3.26Å
290R98.1Very high97.5Very high41 Ų4131.3 Ų31.316%0.15515%0.146CC..THydrogen-bonded Turntrans-82.4-18.3173.9-62.1169.9-71.9176.90.4113D288 Y473 L476 S496D288-R290 PolarHBondContact O-N 3.16Å; D288-R290 VanDerWaalsContact OD1-CB 3.27Å; D288-R290 WeakPolarHBondContact OD1-CB 3.36Å; D288-R290 WeakPolarHBondContact OD1-CG 3.49Å; D288-R290 IonicContact OD1-CZ 3.56Å; D288-R290 PolarHBondContact OD1-N 2.73Å; D288-R290 IonicContact OD1-NE 2.95Å; D288-R290 PolarHBondContact OD1-NE 3.4Å; D288-R290 IonicContact OD1-NH2 3.58Å; D288-R290 IonicContact OD2-CZ 3.27Å; D288-R290 IonicContact OD2-NE 3.95Å; D288-R290 PolarHBondContact OD2-NE 3Å; D288-R290 IonicContact OD2-NH2 3.39Å; D288-R290 PolarHBondContact OD2-NH2 2.85Å; R290-Y473 HydrophobicContact CG-CD1 3.54Å; R290-Y473 HydrophobicContact CG-CE1 3.96Å; R290-L476 HydrophobicContact CB-CB 4.26Å; R290-L476 HydrophobicContact CB-CD1 4.09Å; R290-S496 WeakPolarHBondContact CD-O 3.45Å; R290-S496 PolarHBondContact NH1-OG 2.69Å
291M98Very high97.6Very high1 Ų127.4 Ų27.41%0.00513%0.125CC..SBendtrans-76141.4179.7-70.6-72-84.300110.6L274 L277 V278 V283 W286 D288 T293L274-M291 HydrophobicContact CB-CE 4.09Å; L274-M291 HydrophobicContact CD2-CE 3.71Å; L274-M291 HydrophobicContact CD2-SD 4.09Å; L274-M291 HydrophobicContact CG-CE 4.46Å; L277-M291 HydrophobicContact CB-SD 4.38Å; L277-M291 HydrophobicContact CD1-SD 4.01Å; V278-M291 HydrophobicContact CG2-CE 3.79Å; V283-M291 HydrophobicContact CB-CG 4.23Å; V283-M291 HydrophobicContact CB-SD 4.41Å; V283-M291 HydrophobicContact CG1-CG 4.16Å; V283-M291 HydrophobicContact CG1-SD 4.08Å; V283-M291 HydrophobicContact CG2-CE 4.41Å; V283-M291 HydrophobicContact CG2-CG 3.95Å; V283-M291 HydrophobicContact CG2-SD 3.79Å; W286-M291 HydrophobicContact CE3-CE 3.97Å; W286-M291 HydrophobicContact CZ3-CE 4.27Å; D288-M291 HydrophobicContact CB-CG 3.9Å; D288-M291 VanDerWaalsContact O-CB 3.31Å; D288-M291 WeakPolarHBondContact O-CB 3.31Å; D288-M291 PolarHBondContact O-N 2.7Å; M291-T293 HydrophobicContact CB-CG2 4.4Å; M291-T293 PolarHBondContact O-N 2.98Å; M291-T293 VanDerWaalsContact O-N 3.16Å
292P97.7Very high97.6Very high12 Ų1219.1 Ų19.18%0.0789%0.089CC..  trans-79.812.2176.935.5-37.4000112.7H41 I42 T267 V268 L274H41-P292 CarbonylContact C-O 3.53Å; H41-P292 WeakPolarHBondContact CA-O 3.35Å; H41-P292 VanDerWaalsContact CB-O 3.26Å; H41-P292 WeakPolarHBondContact CB-O 3.3Å; I42-P292 HydrophobicContact CG2-CB 4.15Å; I42-P292 PolarHBondContact N-O 2.85Å; T267-P292 HydrophobicContact CG2-CB 3.43Å; T267-P292 VanDerWaalsContact CG2-CB 3.43Å; T267-P292 HydrophobicContact CG2-CG 3.61Å; V268-P292 WeakPolarHBondContact O-CG 3.21Å; L274-P292 HydrophobicContact CD2-CG 3.8Å
293T98.1Very high97.7Very high0 Ų017.5 Ų17.50%08%0.084CC..BIsolated β-bridgetrans-63.7151.6173.947.60000110.4L40 W286 M291 S295 G296 L297L40-T293 CarbonylContact O-C 3.57Å; L40-T293 WeakPolarHBondContact O-CA 3.47Å; L40-T293 WeakPolarHBondContact O-CB 3.34Å; W286-T293 HydrophobicContact CE3-CG2 3.92Å; W286-T293 WeakPolarHBondContact O-CB 3.34Å; W286-T293 WeakPolarHBondContact O-CG2 3.44Å; W286-T293 PolarHBondContact O-OG1 3.49Å; M291-T293 HydrophobicContact CB-CG2 4.4Å; M291-T293 PolarHBondContact O-N 2.98Å; M291-T293 VanDerWaalsContact O-N 3.16Å; T293-S295 PolarHBondContact O-N 3.29Å; T293-S295 PolarHBondContact OG1-OG 3.16Å; T293-G296 PolarHBondContact O-N 3.2Å; T293-G296 WeakPolarHBondContact OG1-CA 3.48Å; T293-G296 PolarHBondContact OG1-N 3.4Å; T293-L297 WeakPolarHBondContact O-CB 3.48Å; T293-L297 WeakPolarHBondContact O-CG 3.25Å; T293-L297 PolarHBondContact O-N 2.92Å
294I98.4Very high97.7Very high0 Ų017.9 Ų17.90%09%0.088CC..Hα-helixtrans-62.6-39.8174.9-65.1177.2000109.6L40 A45 I48 D85 W88 L89 L297 R298L40-I294 HydrophobicContact CB-CD1 3.69Å; L40-I294 HydrophobicContact CB-CG1 4.17Å; L40-I294 HydrophobicContact CD1-CD1 4.2Å; L40-I294 PolarHBondContact O-N 3.43Å; A45-I294 HydrophobicContact CB-CD1 4.36Å; I48-I294 HydrophobicContact CD1-CD1 4.17Å; D85-I294 HydrophobicContact CB-CB 4.13Å; D85-I294 HydrophobicContact CB-CD1 4.18Å; D85-I294 HydrophobicContact CB-CG2 3.79Å; W88-I294 HydrophobicContact CE3-CG2 3.64Å; W88-I294 HydrophobicContact CZ3-CG2 3.7Å; L89-I294 HydrophobicContact CD1-CD1 3.86Å; I294-L297 PolarHBondContact O-N 3.25Å; I294-R298 VanDerWaalsContact O-CB 3.3Å; I294-R298 WeakPolarHBondContact O-CB 3.44Å; I294-R298 PolarHBondContact O-N 2.8Å
295S97.4Very high97.8Very high12 Ų1216.2 Ų16.28%0.0849%0.086CC..Hα-helixtrans-59.8-44.6173.157.40000113.3W286 T293 R298 R299W286-S295 PolarHBondContact O-OG 2.57Å; T293-S295 PolarHBondContact O-N 3.29Å; T293-S295 PolarHBondContact OG1-OG 3.16Å; S295-R298 PolarHBondContact O-N 3.4Å; S295-R299 WeakPolarHBondContact O-CB 3.44Å; S295-R299 PolarHBondContact O-N 3.4Å
296G97.8Very high97.9Very high0 Ų015.8 Ų15.80%08%0.082CC..Hα-helixtrans-64.3-45176.500000112.4D288 T293 R299 R300D288-G296 WeakPolarHBondContact O-CA 3.16Å; T293-G296 PolarHBondContact O-N 3.2Å; T293-G296 WeakPolarHBondContact OG1-CA 3.48Å; T293-G296 PolarHBondContact OG1-N 3.4Å; G296-R299 PolarHBondContact O-N 3.41Å; G296-R300 WeakPolarHBondContact O-CB 3.43Å; G296-R300 PolarHBondContact O-N 2.76Å
297L98.2Very high98Very high9 Ų914.2 Ų14.25%0.0478%0.076CC..Hα-helixtrans-63.5-42.4175.8-69.8174.8000112.2I42 T293 I294 R299 R300 G301 Y302 I307I42-L297 HydrophobicContact CB-CD1 4.01Å; I42-L297 HydrophobicContact CD1-CD1 3.79Å; I42-L297 HydrophobicContact CG1-CD1 4.25Å; T293-L297 WeakPolarHBondContact O-CB 3.48Å; T293-L297 WeakPolarHBondContact O-CG 3.25Å; T293-L297 PolarHBondContact O-N 2.92Å; I294-L297 PolarHBondContact O-N 3.25Å; L297-R299 PolarHBondContact O-N 3.35Å; L297-R300 WeakPolarHBondContact O-CB 3.29Å; L297-R300 PolarHBondContact O-N 3.21Å; L297-G301 PolarHBondContact O-N 3.32Å; L297-Y302 HydrophobicContact CB-CD2 4.3Å; L297-Y302 HydrophobicContact CB-CG 4.36Å; L297-Y302 HydrophobicContact CD2-CD2 3.7Å; L297-Y302 HydrophobicContact CD2-CE2 3.77Å; L297-Y302 HydrophobicContact CD2-CG 4.19Å; L297-Y302 WeakPolarHBondContact O-CB 3.36Å; L297-Y302 PolarHBondContact O-N 3.25Å; L297-I307 HydrophobicContact CB-CD1 4.23Å; L297-I307 HydrophobicContact CD1-CD1 4.08Å
298R98.2Very high98.1Very high58 Ų5816.6 Ų16.622%0.2198%0.082CC..Hα-helixtrans-58.4-46.6173.6174.917161.1-152.8-14.1111.2N84 D85 W88 I294 S295 R300 G301N84-R298 PolarHBondContact ND2-NH1 3.23Å; N84-R298 PolarHBondContact ND2-NH2 2.84Å; D85-R298 IonicContact OD1-CZ 3.39Å; D85-R298 IonicContact OD1-NH1 2.93Å; D85-R298 IonicContact OD1-NH2 3.87Å; D85-R298 PolarHBondContact OD1-NH2 2.87Å; W88-R298 HydrophobicContact CD2-CB 4.32Å; W88-R298 HydrophobicContact CD2-CG 4.22Å; W88-R298 VanDerWaalsContact CE2-CD 3.49Å; W88-R298 HydrophobicContact CH2-CB 3.91Å; W88-R298 HydrophobicContact CH2-CG 4.49Å; W88-R298 HydrophobicContact CZ2-CB 3.65Å; W88-R298 HydrophobicContact CZ2-CG 3.74Å; W88-R298 HydrophobicContact CZ3-CB 4.36Å; W88-R298 VanDerWaalsContact NE1-CD 3.27Å; I294-R298 VanDerWaalsContact O-CB 3.3Å; I294-R298 WeakPolarHBondContact O-CB 3.44Å; I294-R298 PolarHBondContact O-N 2.8Å; S295-R298 PolarHBondContact O-N 3.4Å; R298-R300 VanDerWaalsContact C-N 3.34Å; R298-R300 PolarHBondContact O-N 2.86Å; R298-G301 PolarHBondContact O-N 2.72Å; R298-G301 VanDerWaalsContact O-N 3.08Å
299R97.9Very high98.1Very high10 Ų1019.5 Ų19.54%0.03810%0.096CC..Hα-helixtrans-70.9-26.9178.4-174.6166163.7-127.7-24.4113.4E284 D287 P289 S295 G296 L297 G301 D528 R530 H531 N540E284-R299 IonicContact OE1-CZ 3.92Å; E284-R299 IonicContact OE1-NH1 3.31Å; E284-R299 PolarHBondContact OE1-NH1 3.34Å; E284-R299 IonicContact OE1-NH2 3.38Å; E284-R299 PolarHBondContact OE1-NH2 3.49Å; E284-R299 IonicContact OE2-NH1 2.87Å; E284-R299 IonicContact OE2-NH2 3.86Å; E284-R299 PolarHBondContact OE2-NH2 2.93Å; D287-R299 WeakPolarHBondContact O-CD 3.12Å; D287-R299 IonicContact OD1-NH1 3.66Å; D287-R299 WeakPolarHBondContact OD2-CD 3.46Å; D287-R299 IonicContact OD2-CZ 3.73Å; D287-R299 IonicContact OD2-NE 2.68Å; D287-R299 IonicContact OD2-NH1 3.9Å; D287-R299 PolarHBondContact OD2-NH1 3.47Å; P289-R299 HydrophobicContact CG-CG 4.22Å; S295-R299 WeakPolarHBondContact O-CB 3.44Å; S295-R299 PolarHBondContact O-N 3.4Å; G296-R299 PolarHBondContact O-N 3.41Å; L297-R299 PolarHBondContact O-N 3.35Å; R299-G301 PolarHBondContact O-N 2.94Å; R299-D528 IonicContact CZ-OD2 3.71Å; R299-D528 IonicContact NE-OD1 2.99Å; R299-D528 IonicContact NE-OD2 3.04Å; R299-D528 PolarHBondContact NE-OD2 3.33Å; R299-D528 IonicContact NH2-OD1 2.73Å; R299-D528 IonicContact NH2-OD2 3.59Å; R299-D528 PolarHBondContact NH2-OD2 3.08Å; R299-R530 VanDerWaalsContact NH1-CD 3.34Å; R299-H531 PolarHBondContact NH2-CD2 3.49Å; R299-H531 PolarHBondContact NH2-NE2 2.99Å; R299-N540 PolarHBondContact O-ND2 3.41Å; R299-N540 VanDerWaalsContact O-ND2 3.09Å
300R98Very high98.1Very high23 Ų2319.5 Ų19.59%0.08710%0.096CC..Hα-helixtrans-66.9-21168.6-176.3153.4172.7170.26.1112.8P289 G296 L297 R298 Y302 C526 T542P289-R300 HydrophobicContact CB-CB 3.74Å; P289-R300 HydrophobicContact CB-CG 4.19Å; P289-R300 WeakPolarHBondContact O-CD 3.33Å; P289-R300 PolarHBondContact O-NH1 3.47Å; G296-R300 WeakPolarHBondContact O-CB 3.43Å; G296-R300 PolarHBondContact O-N 2.76Å; L297-R300 WeakPolarHBondContact O-CB 3.29Å; L297-R300 PolarHBondContact O-N 3.21Å; R298-R300 VanDerWaalsContact C-N 3.34Å; R298-R300 PolarHBondContact O-N 2.86Å; R300-Y302 HydrophobicContact CB-CD2 4.19Å; R300-Y302 HydrophobicContact CG-CD2 4.03Å; R300-Y302 HydrophobicContact CG-CE2 4.05Å; R300-C526 PolarHBondContact O-SG 3.13Å; R300-T542 PolarHBondContact NE-O 3.47Å; R300-T542 VanDerWaalsContact NE-O 3.1Å; R300-T542 WeakPolarHBondContact O-CA 3.49Å; R300-T542 VanDerWaalsContact O-CB 3.27Å; R300-T542 WeakPolarHBondContact O-CB 3.36Å; R300-T542 WeakPolarHBondContact O-CG2 3.41Å; R300-T542 PolarHBondContact O-OG1 2.75Å
301G98Very high98Very high2 Ų218 Ų182%0.0219%0.092CC..THydrogen-bonded Turntrans98.213.1-178.300000114.3L297 R298 R299 C526 T542L297-G301 PolarHBondContact O-N 3.32Å; R298-G301 PolarHBondContact O-N 2.72Å; R298-G301 VanDerWaalsContact O-N 3.08Å; R299-G301 PolarHBondContact O-N 2.94Å; G301-C526 VanDerWaalsContact CA-SG 3.54Å; G301-T542 VanDerWaalsContact C-CG2 3.43Å; G301-T542 WeakPolarHBondContact O-CG2 3.45Å
302Y98.5Very high97.8Very high7 Ų723.6 Ų23.63%0.02712%0.116CC..  trans-61.6140.4166-81.6-102000109.4W88 L297 R300 I307 L328 I332 T542W88-Y302 WeakPolarHBondContact CH2-O 3.35Å; W88-Y302 VanDerWaalsContact CZ2-O 3.22Å; W88-Y302 WeakPolarHBondContact CZ2-O 3.28Å; L297-Y302 HydrophobicContact CB-CD2 4.3Å; L297-Y302 HydrophobicContact CB-CG 4.36Å; L297-Y302 HydrophobicContact CD2-CD2 3.7Å; L297-Y302 HydrophobicContact CD2-CE2 3.77Å; L297-Y302 HydrophobicContact CD2-CG 4.19Å; L297-Y302 WeakPolarHBondContact O-CB 3.36Å; L297-Y302 PolarHBondContact O-N 3.25Å; R300-Y302 HydrophobicContact CB-CD2 4.19Å; R300-Y302 HydrophobicContact CG-CD2 4.03Å; R300-Y302 HydrophobicContact CG-CE2 4.05Å; Y302-I307 HydrophobicContact CD1-CG1 4.47Å; Y302-L328 HydrophobicContact CD1-CD1 4.25Å; Y302-L328 HydrophobicContact CE1-CD1 3.8Å; Y302-L328 HydrophobicContact CE1-CD2 4.27Å; Y302-L328 HydrophobicContact CE1-CG 3.71Å; Y302-I332 HydrophobicContact CD1-CB 3.67Å; Y302-I332 HydrophobicContact CD1-CD1 4.32Å; Y302-I332 HydrophobicContact CD1-CG1 3.93Å; Y302-I332 HydrophobicContact CD1-CG2 3.96Å; Y302-I332 HydrophobicContact CE1-CB 3.61Å; Y302-I332 HydrophobicContact CE1-CG1 4.18Å; Y302-I332 HydrophobicContact CE1-CG2 3.35Å; Y302-I332 HydrophobicContact CG-CB 4.49Å; Y302-I332 HydrophobicContact CG-CG1 4.28Å; Y302-T542 HydrophobicContact CD2-CG2 4.29Å
303T98.3Very high97.6Very high34 Ų3428.3 Ų28.321%0.20913%0.132CC..  trans-91.8149.9175.667.30000110.2A305 S306 I307 I332 D335 L336T303-A305 PolarHBondContact O-N 2.73Å; T303-S306 PolarHBondContact N-OG 3.48Å; T303-S306 PolarHBondContact O-N 3.49Å; T303-S306 VanDerWaalsContact O-N 3.11Å; T303-S306 PolarHBondContact O-OG 3.32Å; T303-S306 WeakPolarHBondContact OG1-CB 3.47Å; T303-S306 PolarHBondContact OG1-N 2.96Å; T303-S306 PolarHBondContact OG1-OG 2.57Å; T303-I307 PolarHBondContact O-N 3.11Å; T303-I332 HydrophobicContact CG2-CD1 4.1Å; T303-D335 VanDerWaalsContact CB-OD2 3.29Å; T303-D335 WeakPolarHBondContact CB-OD2 3.49Å; T303-D335 WeakPolarHBondContact CG2-OD2 3.32Å; T303-D335 PolarHBondContact OG1-OD2 3.16Å; T303-L336 HydrophobicContact CG2-CD2 3.85Å
304A98.1Very high97.4Very high14 Ų1429.4 Ų29.412%0.11614%0.138CC..Hα-helixtrans-55.4-3817200000112W88 I307 R308W88-A304 HydrophobicContact CD2-CB 4.47Å; W88-A304 HydrophobicContact CZ2-CB 4.45Å; W88-A304 WeakPolarHBondContact O-CB 3.41Å; A304-I307 PolarHBondContact O-N 3.09Å; A304-R308 WeakPolarHBondContact O-CG 3.2Å; A304-R308 PolarHBondContact O-N 2.72Å
305A98.1Very high97.1Very high36 Ų3630.6 Ų30.630%0.29815%0.15SC..Hα-helixtrans-60.5-46.4175.500000112.1T303 I307 R308 E309T303-A305 PolarHBondContact O-N 2.73Å; A305-I307 VanDerWaalsContact C-N 3.32Å; A305-I307 PolarHBondContact O-N 3.33Å; A305-R308 PolarHBondContact O-N 3.31Å; A305-E309 WeakPolarHBondContact O-CB 3.42Å; A305-E309 PolarHBondContact O-N 3.16Å
306S98.3Very high96.9Very high1 Ų131 Ų311%0.00715%0.152CC..Hα-helixtrans-62.1-37.9178.372.90000113.1T303 F310 C331 I332T303-S306 PolarHBondContact N-OG 3.48Å; T303-S306 PolarHBondContact O-N 3.49Å; T303-S306 VanDerWaalsContact O-N 3.11Å; T303-S306 PolarHBondContact O-OG 3.32Å; T303-S306 WeakPolarHBondContact OG1-CB 3.47Å; T303-S306 PolarHBondContact OG1-N 2.96Å; T303-S306 PolarHBondContact OG1-OG 2.57Å; S306-F310 WeakPolarHBondContact O-CB 3.35Å; S306-F310 PolarHBondContact O-N 3.11Å; S306-C331 WeakPolarHBondContact O-CB 3.5Å; S306-I332 WeakPolarHBondContact OG-CD1 3.47Å
307I98.6Very high96.7Very high0 Ų033.3 Ų33.30%017%0.166CC..Hα-helixtrans-71.9-43.4178.7-64.9178.8000110.7I42 A45 W88 L89 L297 Y302 T303 A304 A305 E309 F310 C311I42-I307 HydrophobicContact CD1-CG1 4.42Å; I42-I307 HydrophobicContact CD1-CG2 3.78Å; A45-I307 HydrophobicContact CB-CG2 3.73Å; W88-I307 HydrophobicContact CH2-CD1 3.83Å; W88-I307 HydrophobicContact CZ3-CD1 3.8Å; L89-I307 HydrophobicContact CD2-CB 4.07Å; L89-I307 HydrophobicContact CD2-CD1 4.47Å; L89-I307 HydrophobicContact CD2-CG2 3.82Å; L297-I307 HydrophobicContact CB-CD1 4.23Å; L297-I307 HydrophobicContact CD1-CD1 4.08Å; Y302-I307 HydrophobicContact CD1-CG1 4.47Å; T303-I307 PolarHBondContact O-N 3.11Å; A304-I307 PolarHBondContact O-N 3.09Å; A305-I307 VanDerWaalsContact C-N 3.32Å; A305-I307 PolarHBondContact O-N 3.33Å; I307-E309 VanDerWaalsContact C-N 3.32Å; I307-E309 PolarHBondContact O-N 3.02Å; I307-F310 WeakPolarHBondContact O-CB 3.3Å; I307-F310 PolarHBondContact O-N 2.7Å; I307-C311 PolarHBondContact O-N 2.92Å; I307-C311 PolarHBondContact O-SG 3.31Å; I307-C311 VanDerWaalsContact O-SG 3.35Å
308R98Very high96.4Very high88 Ų8837.5 Ų37.533%0.33218%0.184SC..Hα-helixtrans-60.4-43.6174.6-72-168.5-56.4-931.5111.4L89 F91 A304 A305 C311 K312L89-R308 WeakPolarHBondContact O-CD 3.19Å; L89-R308 PolarHBondContact O-NH1 3.25Å; F91-R308 HydrophobicContact CE2-CG 4.13Å; F91-R308 HydrophobicContact CZ-CG 4.18Å; A304-R308 WeakPolarHBondContact O-CG 3.2Å; A304-R308 PolarHBondContact O-N 2.72Å; A305-R308 PolarHBondContact O-N 3.31Å; R308-C311 PolarHBondContact O-N 2.89Å; R308-K312 WeakPolarHBondContact O-CB 3.4Å; R308-K312 PolarHBondContact O-N 3.19Å
309E97.7Very high96.1Very high62 Ų6242.1 Ų42.129%0.2921%0.208SC..Hα-helixtrans-64.3-42.3177.3-179.558.1-163.100111.3A305 I307 C311 K312 R313A305-E309 WeakPolarHBondContact O-CB 3.42Å; A305-E309 PolarHBondContact O-N 3.16Å; I307-E309 VanDerWaalsContact C-N 3.32Å; I307-E309 PolarHBondContact O-N 3.02Å; E309-C311 PolarHBondContact O-N 2.9Å; E309-K312 WeakPolarHBondContact O-CB 3.11Å; E309-K312 PolarHBondContact O-N 3.35Å; E309-R313 WeakPolarHBondContact O-CG 3.29Å; E309-R313 PolarHBondContact O-N 3.17Å; E309-R313 IonicContact OE1-CZ 3.3Å; E309-R313 IonicContact OE1-NE 3.62Å; E309-R313 PolarHBondContact OE1-NE 3.48Å; E309-R313 IonicContact OE1-NH2 3.97Å; E309-R313 PolarHBondContact OE1-NH2 3.11Å
310F97.9Very high95.5Very high0 Ų046.9 Ų46.90%023%0.234CC..Hα-helixtrans-57-50.2172.1169.4-107.5000111.8I42 L262 L264 S306 I307 K312 R313 I314 I323 L328 C331I42-F310 HydrophobicContact CD1-CD1 4.32Å; I42-F310 HydrophobicContact CD1-CE1 4.43Å; I42-F310 HydrophobicContact CG1-CE1 4.19Å; L262-F310 HydrophobicContact CD1-CE1 4.4Å; L262-F310 HydrophobicContact CD1-CZ 4.18Å; L262-F310 HydrophobicContact CD2-CE1 3.87Å; L262-F310 HydrophobicContact CD2-CZ 4.36Å; L264-F310 HydrophobicContact CD1-CZ 4.1Å; S306-F310 WeakPolarHBondContact O-CB 3.35Å; S306-F310 PolarHBondContact O-N 3.11Å; I307-F310 WeakPolarHBondContact O-CB 3.3Å; I307-F310 PolarHBondContact O-N 2.7Å; F310-K312 VanDerWaalsContact C-N 3.25Å; F310-K312 PolarHBondContact O-N 3.32Å; F310-R313 PolarHBondContact O-N 3.35Å; F310-R313 VanDerWaalsContact O-N 3.17Å; F310-I314 HydrophobicContact CD2-CG2 4.01Å; F310-I314 HydrophobicContact CE1-CD1 4.21Å; F310-I314 HydrophobicContact CE1-CG2 4.49Å; F310-I314 HydrophobicContact CE2-CG2 3.54Å; F310-I314 HydrophobicContact CZ-CD1 4.36Å; F310-I314 HydrophobicContact CZ-CG2 3.81Å; F310-I314 WeakPolarHBondContact O-CG1 3.34Å; F310-I314 PolarHBondContact O-N 3.39Å; F310-I314 VanDerWaalsContact O-N 3.08Å; F310-I323 HydrophobicContact CE2-CG2 3.8Å; F310-I323 HydrophobicContact CZ-CG2 3.96Å; F310-L328 HydrophobicContact CB-CD1 3.98Å; F310-L328 HydrophobicContact CD1-CD1 3.87Å; F310-L328 HydrophobicContact CD2-CB 3.91Å; F310-L328 HydrophobicContact CD2-CD1 4.19Å; F310-L328 HydrophobicContact CE1-CD1 4.42Å; F310-L328 HydrophobicContact CE2-CB 3.87Å; F310-L328 HydrophobicContact CG-CB 4.32Å; F310-L328 HydrophobicContact CG-CD1 3.73Å; F310-L328 HydrophobicContact CZ-CB 4.27Å; F310-C331 VanDerWaalsContact CA-SG 3.59Å; F310-C331 HydrophobicContact CB-CB 4.13Å
311C96.5Very high94.9Very high10 Ų1048.2 Ų48.27%0.06824%0.243CC..Hα-helixtrans-61-34.2177.6-68.50000112.6C49 I307 R308 E309 I314C49-C311 HydrophobicContact CB-CB 3.8Å; I307-C311 PolarHBondContact O-N 2.92Å; I307-C311 PolarHBondContact O-SG 3.31Å; I307-C311 VanDerWaalsContact O-SG 3.35Å; R308-C311 PolarHBondContact O-N 2.89Å; E309-C311 PolarHBondContact O-N 2.9Å; C311-I314 WeakPolarHBondContact O-CG1 3.19Å
312K94.3Very high94.6Very high118 Ų11852.1 Ų52.151%0.51327%0.267SS..Hα-helixtrans-67.2-45.4174-179.2-179.2173-171.50111.7P8 R308 E309 F310 G315P8-K312 HydrophobicContact CB-CG 4.42Å; P8-K312 HydrophobicContact CG-CG 4.31Å; R308-K312 WeakPolarHBondContact O-CB 3.4Å; R308-K312 PolarHBondContact O-N 3.19Å; E309-K312 WeakPolarHBondContact O-CB 3.11Å; E309-K312 PolarHBondContact O-N 3.35Å; F310-K312 VanDerWaalsContact C-N 3.25Å; F310-K312 PolarHBondContact O-N 3.32Å; K312-G315 PolarHBondContact O-N 2.92Å
313R94.4Very high94.5Very high110 Ų11052.9 Ų52.942%0.41527%0.271SS..Hα-helixtrans-66.4-41.9-177.5-73.7-177.7-171.6-169.82.5113.5E309 F310 G315 E334E309-R313 WeakPolarHBondContact O-CG 3.29Å; E309-R313 PolarHBondContact O-N 3.17Å; E309-R313 IonicContact OE1-CZ 3.3Å; E309-R313 IonicContact OE1-NE 3.62Å; E309-R313 PolarHBondContact OE1-NE 3.48Å; E309-R313 IonicContact OE1-NH2 3.97Å; E309-R313 PolarHBondContact OE1-NH2 3.11Å; F310-R313 PolarHBondContact O-N 3.35Å; F310-R313 VanDerWaalsContact O-N 3.17Å; R313-G315 PolarHBondContact O-N 3.47Å; R313-E334 IonicContact CZ-OE1 2.79Å; R313-E334 IonicContact CZ-OE2 3.47Å; R313-E334 VanDerWaalsContact CZ-OE2 3.27Å; R313-E334 VanDerWaalsContact NH1-CD 3.32Å; R313-E334 IonicContact NH1-OE1 3.42Å; R313-E334 PolarHBondContact NH1-OE1 3.47Å; R313-E334 IonicContact NH1-OE2 2.75Å; R313-E334 PolarHBondContact NH1-OE2 2.82Å; R313-E334 IonicContact NH2-OE1 3.87Å; R313-E334 IonicContact NH2-OE2 3.03Å; R313-E334 PolarHBondContact NH2-OE2 2.94Å
314I93.7Very high94.3Very high24 Ų2457 Ų5712%0.12329%0.288CS..Hα-helixtrans-68.4-19.5179.564.3173.1000112.8K46 L262 F310 C311 I323K46-I314 HydrophobicContact CD-CD1 3.96Å; K46-I314 HydrophobicContact CG-CD1 4.28Å; L262-I314 HydrophobicContact CD1-CD1 3.87Å; F310-I314 HydrophobicContact CD2-CG2 4.01Å; F310-I314 HydrophobicContact CE1-CD1 4.21Å; F310-I314 HydrophobicContact CE1-CG2 4.49Å; F310-I314 HydrophobicContact CE2-CG2 3.54Å; F310-I314 HydrophobicContact CZ-CD1 4.36Å; F310-I314 HydrophobicContact CZ-CG2 3.81Å; F310-I314 WeakPolarHBondContact O-CG1 3.34Å; F310-I314 PolarHBondContact O-N 3.39Å; F310-I314 VanDerWaalsContact O-N 3.08Å; C311-I314 WeakPolarHBondContact O-CG1 3.19Å; I314-I323 HydrophobicContact CB-CD1 4.32Å; I314-I323 HydrophobicContact CG2-CD1 4.14Å; I314-I323 HydrophobicContact CG2-CG1 4.12Å; I314-I323 HydrophobicContact CG2-CG2 3.88Å
315G91.8Very high94.2Very high25 Ų2557.3 Ų57.326%0.25829%0.287SS..  trans65.4-170.2179.700000114.4K46 K312 R313K46-G315 WeakPolarHBondContact CE-O 3.01Å; K312-G315 PolarHBondContact O-N 2.92Å; R313-G315 PolarHBondContact O-N 3.47Å
316V93.6Very high94.1Very high21 Ų2156.6 Ų56.613%0.12728%0.281CS..  trans-128.4119.1-177.2-173.50000108.6N10 F11 I12 L50 F259N10-V316 HydrophobicContact CB-CB 4.14Å; F11-V316 HydrophobicContact CE1-CG1 3.98Å; I12-V316 HydrophobicContact CD1-CG1 3.84Å; L50-V316 HydrophobicContact CD1-CG2 3.89Å; L50-V316 HydrophobicContact CD2-CG1 4.03Å; L50-V316 HydrophobicContact CD2-CG2 4.32Å; F259-V316 HydrophobicContact CB-CG1 3.66Å; F259-V316 HydrophobicContact CG-CG1 4.25Å
317T92.6Very high94.1Very high47 Ų4758.4 Ų58.429%0.28829%0.294SS..  trans-133.7170.5-176.373.60000110.3F259 S260 Q319F259-T317 CarbonylContact C-O 3.59Å; F259-T317 WeakPolarHBondContact CA-O 3.41Å; S260-T317 PolarHBondContact N-O 3.31Å; S260-T317 PolarHBondContact OG-O 2.96Å; S260-T317 PolarHBondContact OG-OG1 3.15Å; S260-T317 VanDerWaalsContact OG-OG1 3.13Å; T317-Q319 PolarHBondContact OG1-N 3.18Å; T317-Q319 PolarHBondContact OG1-O 3.34Å; T317-Q319 VanDerWaalsContact OG1-O 3.1Å
318K92.6Very high94Very high98 Ų9858.5 Ų58.543%0.42629%0.294SS..SBendtrans-102.39.2168.5-67.4-163.9174-159.90113.1F11 L232 E258F11-K318 HydrophobicContact CE1-CG 3.91Å; F11-K318 HydrophobicContact CE2-CD 4.35Å; F11-K318 HydrophobicContact CE2-CG 4.24Å; F11-K318 HydrophobicContact CZ-CD 4.32Å; F11-K318 HydrophobicContact CZ-CG 3.73Å; L232-K318 VanDerWaalsContact CD1-O 3.29Å; L232-K318 WeakPolarHBondContact CD1-O 3.41Å; L232-K318 HydrophobicContact CD2-CB 4.48Å; E258-K318 WeakPolarHBondContact O-CE 3.31Å; E258-K318 IonicContact OE2-NZ 3.33Å
319Q90.8Very high94Very high155 Ų15554.8 Ų54.872%0.72428%0.28SS*.SBendtrans-104.2128.6178-72-178.6-20.400108.6S260 T317 N321S260-Q319 WeakPolarHBondContact CB-O 3.22Å; S260-Q319 PolarHBondContact OG-O 3.25Å; T317-Q319 PolarHBondContact OG1-N 3.18Å; T317-Q319 PolarHBondContact OG1-O 3.34Å; T317-Q319 VanDerWaalsContact OG1-O 3.1Å; Q319-N321 PolarHBondContact O-N 3.07Å
320D85.1Confident94Very high110 Ų11053.9 Ų53.959%0.58828%0.281SS*.  trans-62.9127.9170.2-77.7-30.3000109.4
321N86.1Confident94Very high51 Ų5154 Ų5427%0.27328%0.282SS..EExtended strand (participates in β ladder)trans-138.6155.317762.90.2000110.6N263 Q319N263-N321 WeakPolarHBondContact CB-O 3.31Å; N263-N321 PolarHBondContact ND2-O 3.15Å; Q319-N321 PolarHBondContact O-N 3.07Å
322T91.6Very high94.1Very high84 Ų8453.5 Ų53.552%0.51528%0.278SS..EExtended strand (participates in β ladder)trans-107.8123.8170.5-58.70000107.3E265E265-T322 HydrophobicContact CG-CG2 3.53Å
323I95.6Very high94.3Very high23 Ų2349.4 Ų49.412%0.11826%0.26CS..EExtended strand (participates in β ladder)trans-94.1134-179.1-55.9-58.8000109L262 N263 L264 E265 F310 I314L262-I323 HydrophobicContact CD1-CB 4.12Å; L262-I323 HydrophobicContact CD1-CG1 3.62Å; N263-I323 PolarHBondContact O-N 3Å; L264-I323 WeakPolarHBondContact CA-O 2.9Å; L264-I323 HydrophobicContact CD1-CB 4.32Å; L264-I323 HydrophobicContact CD1-CG2 4.33Å; E265-I323 PolarHBondContact N-O 2.96Å; F310-I323 HydrophobicContact CE2-CG2 3.8Å; F310-I323 HydrophobicContact CZ-CG2 3.96Å; I314-I323 HydrophobicContact CB-CD1 4.32Å; I314-I323 HydrophobicContact CG2-CD1 4.14Å; I314-I323 HydrophobicContact CG2-CG1 4.12Å; I314-I323 HydrophobicContact CG2-CG2 3.88Å
324E95.5Very high94.5Very high121 Ų12147.8 Ų47.857%0.56526%0.257SS*.  trans-63.4136174.9-62.5179.7173.800111.3A326 S327E324-A326 HydrophobicContact CB-CB 4.49Å; E324-A326 PolarHBondContact O-N 3.01Å; E324-S327 WeakPolarHBondContact O-CB 3.48Å; E324-S327 PolarHBondContact O-N 3.13Å
325M96.3Very high94.7Very high20 Ų2048.1 Ų48.110%0.09926%0.259CS..Hα-helixtrans-56.9-32.5175.4179.962.880.800111.8L264 E265 Y266 T267 S327 L328 E329 R475L264-M325 HydrophobicContact CD2-CE 3.7Å; L264-M325 HydrophobicContact CD2-SD 3.88Å; L264-M325 HydrophobicContact CG-CE 4.12Å; L264-M325 HydrophobicContact CG-SD 4.33Å; E265-M325 WeakPolarHBondContact O-CE 3.31Å; Y266-M325 HydrophobicContact CD2-CB 4.1Å; T267-M325 WeakPolarHBondContact OG1-CE 3.37Å; M325-S327 PolarHBondContact O-N 3.29Å; M325-L328 PolarHBondContact O-N 2.78Å; M325-L328 VanDerWaalsContact O-N 3.12Å; M325-L328 HydrophobicContact SD-CD2 4.15Å; M325-E329 HydrophobicContact CG-CG 4.14Å; M325-E329 WeakPolarHBondContact CG-OE1 3.49Å; M325-E329 WeakPolarHBondContact O-CG 3.4Å; M325-E329 PolarHBondContact O-N 2.83Å; M325-R475 HydrophobicContact CG-CG 4.36Å
326A96.1Very high95Very high20 Ų2047.2 Ų47.217%0.16525%0.248CC..Hα-helixtrans-55.6-32.7177.400000113.1E324 E329 S330 D547E324-A326 HydrophobicContact CB-CB 4.49Å; E324-A326 PolarHBondContact O-N 3.01Å; A326-E329 PolarHBondContact O-N 2.87Å; A326-S330 WeakPolarHBondContact O-CB 3.36Å; A326-S330 PolarHBondContact O-N 2.86Å; A326-D547 VanDerWaalsContact CB-OD2 3.28Å; A326-D547 WeakPolarHBondContact CB-OD2 3.49Å
327S96.6Very high95.2Very high40 Ų4048.9 Ų48.928%0.2826%0.256SS..Hα-helixtrans-65.4-45.2177.7-175.20000111.9E324 M325 S330 C331E324-S327 WeakPolarHBondContact O-CB 3.48Å; E324-S327 PolarHBondContact O-N 3.13Å; M325-S327 PolarHBondContact O-N 3.29Å; S327-S330 PolarHBondContact O-N 3.36Å; S327-C331 PolarHBondContact O-N 3.09Å; S327-C331 PolarHBondContact O-SG 3.49Å
328L97.9Very high95.4Very high2 Ų250.7 Ų50.71%0.0126%0.262CS..Hα-helixtrans-64.9-44.3174.9175.860.6000111I42 L264 Y302 F310 M325 S330 C331 I332I42-L328 HydrophobicContact CD1-CD1 4.38Å; I42-L328 HydrophobicContact CG1-CD2 4.34Å; L264-L328 HydrophobicContact CD2-CD2 3.84Å; Y302-L328 HydrophobicContact CD1-CD1 4.25Å; Y302-L328 HydrophobicContact CE1-CD1 3.8Å; Y302-L328 HydrophobicContact CE1-CD2 4.27Å; Y302-L328 HydrophobicContact CE1-CG 3.71Å; F310-L328 HydrophobicContact CB-CD1 3.98Å; F310-L328 HydrophobicContact CD1-CD1 3.87Å; F310-L328 HydrophobicContact CD2-CB 3.91Å; F310-L328 HydrophobicContact CD2-CD1 4.19Å; F310-L328 HydrophobicContact CE1-CD1 4.42Å; F310-L328 HydrophobicContact CE2-CB 3.87Å; F310-L328 HydrophobicContact CG-CB 4.32Å; F310-L328 HydrophobicContact CG-CD1 3.73Å; F310-L328 HydrophobicContact CZ-CB 4.27Å; M325-L328 PolarHBondContact O-N 2.78Å; M325-L328 VanDerWaalsContact O-N 3.12Å; M325-L328 HydrophobicContact SD-CD2 4.15Å; L328-S330 VanDerWaalsContact C-N 3.32Å; L328-S330 PolarHBondContact O-N 3.39Å; L328-C331 PolarHBondContact O-N 2.75Å; L328-I332 PolarHBondContact O-N 3.41Å
329E98Very high95.6Very high9 Ų950.1 Ų50.14%0.04226%0.263CS..Hα-helixtrans-63.8-34.3177.2-66.1175.1-172.400112.5M325 A326 I332 R333 R475 V543M325-E329 HydrophobicContact CG-CG 4.14Å; M325-E329 WeakPolarHBondContact CG-OE1 3.49Å; M325-E329 WeakPolarHBondContact O-CG 3.4Å; M325-E329 PolarHBondContact O-N 2.83Å; A326-E329 PolarHBondContact O-N 2.87Å; E329-I332 WeakPolarHBondContact O-CG2 3.43Å; E329-R333 VanDerWaalsContact C-NH1 3.34Å; E329-R333 WeakPolarHBondContact O-CB 3.37Å; E329-R333 WeakPolarHBondContact O-CG 3.46Å; E329-R333 PolarHBondContact O-N 3.41Å; E329-R333 PolarHBondContact O-NH1 2.83Å; E329-R333 IonicContact OE2-CZ 3.94Å; E329-R333 IonicContact OE2-NH1 3.69Å; E329-R333 IonicContact OE2-NH2 2.81Å; E329-R333 PolarHBondContact OE2-NH2 3.27Å; E329-R475 IonicContact OE1-CZ 3.5Å; E329-R475 IonicContact OE1-NE 2.98Å; E329-R475 PolarHBondContact OE1-NE 2.84Å; E329-R475 IonicContact OE1-NH2 3.12Å; E329-R475 PolarHBondContact OE1-NH2 2.9Å; E329-R475 IonicContact OE2-NH2 3.84Å; E329-V543 HydrophobicContact CB-CG2 4.05Å; E329-V543 HydrophobicContact CG-CG2 4.28Å
330S97.8Very high95.9Very high43 Ų4342.8 Ų42.830%0.30123%0.229SC..Hα-helixtrans-63.9-45.5175.3-162.20000111.1A326 S327 L328 I332 R333 E334A326-S330 WeakPolarHBondContact O-CB 3.36Å; A326-S330 PolarHBondContact O-N 2.86Å; S327-S330 PolarHBondContact O-N 3.36Å; L328-S330 VanDerWaalsContact C-N 3.32Å; L328-S330 PolarHBondContact O-N 3.39Å; S330-I332 VanDerWaalsContact C-N 3.31Å; S330-I332 PolarHBondContact O-N 3.17Å; S330-R333 PolarHBondContact O-N 3.09Å; S330-R333 VanDerWaalsContact O-N 3.15Å; S330-E334 WeakPolarHBondContact O-CB 3.42Å; S330-E334 WeakPolarHBondContact O-CG 3.27Å; S330-E334 PolarHBondContact O-N 2.79Å; S330-E334 PolarHBondContact OG-OE1 2.94Å
331C98.3Very high96.5Very high2 Ų239 Ų391%0.01421%0.21CC..Hα-helixtrans-59.4-41.9-179.2-63.20000112S306 F310 S327 L328 D335S306-C331 WeakPolarHBondContact O-CB 3.5Å; F310-C331 VanDerWaalsContact CA-SG 3.59Å; F310-C331 HydrophobicContact CB-CB 4.13Å; S327-C331 PolarHBondContact O-N 3.09Å; S327-C331 PolarHBondContact O-SG 3.49Å; L328-C331 PolarHBondContact O-N 2.75Å; C331-D335 WeakPolarHBondContact O-CB 3.48Å; C331-D335 PolarHBondContact O-N 3.31Å; C331-D335 VanDerWaalsContact O-N 3.1Å
332I98.3Very high97Very high0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-72.7-36.9176.2-175.460.3000112.5Y302 T303 S306 L328 E329 S330 E334 L336 T542 V543Y302-I332 HydrophobicContact CD1-CB 3.67Å; Y302-I332 HydrophobicContact CD1-CD1 4.32Å; Y302-I332 HydrophobicContact CD1-CG1 3.93Å; Y302-I332 HydrophobicContact CD1-CG2 3.96Å; Y302-I332 HydrophobicContact CE1-CB 3.61Å; Y302-I332 HydrophobicContact CE1-CG1 4.18Å; Y302-I332 HydrophobicContact CE1-CG2 3.35Å; Y302-I332 HydrophobicContact CG-CB 4.49Å; Y302-I332 HydrophobicContact CG-CG1 4.28Å; T303-I332 HydrophobicContact CG2-CD1 4.1Å; S306-I332 WeakPolarHBondContact OG-CD1 3.47Å; L328-I332 PolarHBondContact O-N 3.41Å; E329-I332 WeakPolarHBondContact O-CG2 3.43Å; S330-I332 VanDerWaalsContact C-N 3.31Å; S330-I332 PolarHBondContact O-N 3.17Å; I332-E334 VanDerWaalsContact C-N 3.33Å; I332-E334 PolarHBondContact O-N 3.25Å; I332-L336 HydrophobicContact CD1-CD1 3.77Å; I332-L336 HydrophobicContact CD1-CD2 4.16Å; I332-L336 HydrophobicContact CD1-CG 3.65Å; I332-L336 HydrophobicContact CG1-CD1 3.86Å; I332-L336 HydrophobicContact CG1-CG 4.12Å; I332-L336 WeakPolarHBondContact O-CB 3.13Å; I332-L336 VanDerWaalsContact O-CG 3.3Å; I332-L336 WeakPolarHBondContact O-CG 3.37Å; I332-L336 PolarHBondContact O-N 3.32Å; I332-T542 HydrophobicContact CD1-CG2 4.36Å; I332-T542 HydrophobicContact CG1-CG2 3.77Å; I332-V543 HydrophobicContact CG2-CB 4.16Å; I332-V543 HydrophobicContact CG2-CG1 4.04Å; I332-V543 HydrophobicContact CG2-CG2 4.36Å
333R98.2Very high97.3Very high32 Ų3233 Ų3312%0.12117%0.174CC..Hα-helixtrans-61.6-42.8174.7-77.7-179.4-159.2101.72.3111.7E329 S330 N337 Y524 V543 G544E329-R333 VanDerWaalsContact C-NH1 3.34Å; E329-R333 WeakPolarHBondContact O-CB 3.37Å; E329-R333 WeakPolarHBondContact O-CG 3.46Å; E329-R333 PolarHBondContact O-N 3.41Å; E329-R333 PolarHBondContact O-NH1 2.83Å; E329-R333 IonicContact OE2-CZ 3.94Å; E329-R333 IonicContact OE2-NH1 3.69Å; E329-R333 IonicContact OE2-NH2 2.81Å; E329-R333 PolarHBondContact OE2-NH2 3.27Å; S330-R333 PolarHBondContact O-N 3.09Å; S330-R333 VanDerWaalsContact O-N 3.15Å; R333-N337 WeakPolarHBondContact O-CB 3.22Å; R333-N337 PolarHBondContact O-N 2.84Å; R333-Y524 HydrophobicContact CG-CE2 4.38Å; R333-V543 HydrophobicContact CG-CB 4.43Å; R333-V543 HydrophobicContact CG-CG1 3.6Å; R333-V543 HydrophobicContact CG-CG2 3.93Å; R333-G544 WeakPolarHBondContact CD-O 3.42Å; R333-G544 PolarHBondContact NE-O 2.88Å
334E97.8Very high97.4Very high77 Ų7731.9 Ų31.936%0.3617%0.169SC..Hα-helixtrans-66.7-46.9179.6-71.7168.6-13500111.3R313 S330 I332 L336 N337 E338R313-E334 IonicContact CZ-OE1 2.79Å; R313-E334 IonicContact CZ-OE2 3.47Å; R313-E334 VanDerWaalsContact CZ-OE2 3.27Å; R313-E334 VanDerWaalsContact NH1-CD 3.32Å; R313-E334 IonicContact NH1-OE1 3.42Å; R313-E334 PolarHBondContact NH1-OE1 3.47Å; R313-E334 IonicContact NH1-OE2 2.75Å; R313-E334 PolarHBondContact NH1-OE2 2.82Å; R313-E334 IonicContact NH2-OE1 3.87Å; R313-E334 IonicContact NH2-OE2 3.03Å; R313-E334 PolarHBondContact NH2-OE2 2.94Å; S330-E334 WeakPolarHBondContact O-CB 3.42Å; S330-E334 WeakPolarHBondContact O-CG 3.27Å; S330-E334 PolarHBondContact O-N 2.79Å; S330-E334 PolarHBondContact OG-OE1 2.94Å; I332-E334 VanDerWaalsContact C-N 3.33Å; I332-E334 PolarHBondContact O-N 3.25Å; E334-L336 PolarHBondContact O-N 2.97Å; E334-N337 PolarHBondContact O-N 2.86Å; E334-E338 PolarHBondContact O-N 2.7Å
335D98.1Very high97.5Very high30 Ų3026.1 Ų26.116%0.1614%0.142CC..Hα-helixtrans-60.4-46.8177.3-179.868.4000112T303 C331 E338 N339T303-D335 VanDerWaalsContact CB-OD2 3.29Å; T303-D335 WeakPolarHBondContact CB-OD2 3.49Å; T303-D335 WeakPolarHBondContact CG2-OD2 3.32Å; T303-D335 PolarHBondContact OG1-OD2 3.16Å; C331-D335 WeakPolarHBondContact O-CB 3.48Å; C331-D335 PolarHBondContact O-N 3.31Å; C331-D335 VanDerWaalsContact O-N 3.1Å; D335-E338 PolarHBondContact O-N 3.5Å; D335-N339 WeakPolarHBondContact O-CB 3.29Å; D335-N339 PolarHBondContact O-N 3.04Å; D335-N339 PolarHBondContact O-ND2 3.36Å; D335-N339 VanDerWaalsContact O-ND2 3.1Å; D335-N339 PolarHBondContact OD1-ND2 3.49Å
336L98.1Very high97.7Very high6 Ų625.1 Ų25.13%0.03114%0.137CC..Hα-helixtrans-73.3-27.6179.1-62.9-174.7000112.9T303 I332 E334 E338 N339 A340 A516 Y524 T542T303-L336 HydrophobicContact CG2-CD2 3.85Å; I332-L336 HydrophobicContact CD1-CD1 3.77Å; I332-L336 HydrophobicContact CD1-CD2 4.16Å; I332-L336 HydrophobicContact CD1-CG 3.65Å; I332-L336 HydrophobicContact CG1-CD1 3.86Å; I332-L336 HydrophobicContact CG1-CG 4.12Å; I332-L336 WeakPolarHBondContact O-CB 3.13Å; I332-L336 VanDerWaalsContact O-CG 3.3Å; I332-L336 WeakPolarHBondContact O-CG 3.37Å; I332-L336 PolarHBondContact O-N 3.32Å; E334-L336 PolarHBondContact O-N 2.97Å; L336-E338 PolarHBondContact O-N 2.86Å; L336-N339 PolarHBondContact O-N 3.07Å; L336-A340 HydrophobicContact CB-CB 4.15Å; L336-A340 HydrophobicContact CD2-CB 4.49Å; L336-A340 WeakPolarHBondContact O-CB 3.25Å; L336-A340 PolarHBondContact O-N 3.33Å; L336-A516 HydrophobicContact CD1-CB 3.92Å; L336-A516 HydrophobicContact CD2-CB 3.77Å; L336-A516 HydrophobicContact CG-CB 4.47Å; L336-Y524 HydrophobicContact CB-CD1 3.43Å; L336-Y524 VanDerWaalsContact CB-CD1 3.43Å; L336-Y524 HydrophobicContact CB-CD2 4.39Å; L336-Y524 HydrophobicContact CB-CE1 3.59Å; L336-Y524 HydrophobicContact CB-CG 3.85Å; L336-Y524 VanDerWaalsContact CD1-CB 3.49Å; L336-Y524 HydrophobicContact CD1-CD1 4.03Å; L336-Y524 HydrophobicContact CD1-CG 3.77Å; L336-Y524 HydrophobicContact CG-CD1 4.37Å; L336-Y524 HydrophobicContact CG-CG 4.49Å; L336-T542 HydrophobicContact CD1-CG2 4.11Å
337N97.3Very high97.8Very high57 Ų5724.7 Ų24.731%0.30513%0.132SC..Hα-helixtrans-59.1-39.7173.4-179.369.2000111.2R333 E334 R342 H369 Y524R333-N337 WeakPolarHBondContact O-CB 3.22Å; R333-N337 PolarHBondContact O-N 2.84Å; E334-N337 PolarHBondContact O-N 2.86Å; N337-R342 PolarHBondContact O-NH1 3.35Å; N337-R342 PolarHBondContact O-NH2 3.04Å; N337-R342 PolarHBondContact OD1-NH2 2.73Å; N337-R342 VanDerWaalsContact OD1-NH2 3.07Å; N337-H369 PolarHBondContact O-NE2 2.85Å; N337-Y524 WeakPolarHBondContact CA-OH 3.38Å; N337-Y524 WeakPolarHBondContact CB-OH 3.43Å; N337-Y524 PolarHBondContact N-OH 2.74Å
338E96.8Very high97.8Very high85 Ų8525.3 Ų25.340%0.39713%0.132SC..Hα-helixtrans-80.3-32179.5-67.1-53.4122.800113.3E334 D335 L336 H369 K372E334-E338 PolarHBondContact O-N 2.7Å; D335-E338 PolarHBondContact O-N 3.5Å; L336-E338 PolarHBondContact O-N 2.86Å; E338-H369 PolarHBondContact O-NE2 3.1Å; E338-K372 WeakPolarHBondContact O-CD 3.16Å; E338-K372 VanDerWaalsContact O-CE 3.29Å; E338-K372 WeakPolarHBondContact O-CE 3.33Å; E338-K372 PolarHBondContact O-NZ 2.8Å; E338-K372 IonicContact OE2-NZ 2.86Å
339N96.5Very high97.8Very high85 Ų8526.4 Ų26.446%0.45514%0.139SC..Hα-helixtrans-114.1-21.3-165.2-63.3-42000114.8D335 L336D335-N339 WeakPolarHBondContact O-CB 3.29Å; D335-N339 PolarHBondContact O-N 3.04Å; D335-N339 PolarHBondContact O-ND2 3.36Å; D335-N339 VanDerWaalsContact O-ND2 3.1Å; D335-N339 PolarHBondContact OD1-ND2 3.49Å; L336-N339 PolarHBondContact O-N 3.07Å
340A97.5Very high97.8Very high2 Ų226.1 Ų26.12%0.01714%0.138CC..PPolyproline II helixtrans-85.2127-175.600000111.8L336 R342 Y524L336-A340 HydrophobicContact CB-CB 4.15Å; L336-A340 HydrophobicContact CD2-CB 4.49Å; L336-A340 WeakPolarHBondContact O-CB 3.25Å; L336-A340 PolarHBondContact O-N 3.33Å; A340-R342 PolarHBondContact O-NH1 2.79Å; A340-Y524 HydrophobicContact CB-CD1 4.06Å; A340-Y524 HydrophobicContact CB-CE1 4.24Å
341P97.5Very high97.9Very high29 Ų2926.7 Ų26.719%0.18814%0.135CC..PPolyproline II helixtrans-63.5153.3167.526.9-33.7000111.2N368 M375 A516 F517 Q518P341-N368 CarbonylContact C-O 3.53Å; P341-N368 VanDerWaalsContact CA-O 3.28Å; P341-N368 WeakPolarHBondContact CA-O 3.46Å; P341-N368 HydrophobicContact CB-CB 4.29Å; P341-M375 HydrophobicContact CB-CE 4.15Å; P341-M375 HydrophobicContact CG-CE 4.47Å; P341-A516 WeakPolarHBondContact CD-O 3.22Å; P341-F517 HydrophobicContact CB-CD1 4.27Å; P341-F517 HydrophobicContact CB-CE1 4.43Å; P341-F517 HydrophobicContact CG-CD1 3.58Å; P341-F517 HydrophobicContact CG-CE1 3.64Å; P341-F517 HydrophobicContact CG-CG 4.34Å; P341-F517 HydrophobicContact CG-CZ 4.44Å; P341-F517 CarbonylContact O-C 3.5Å; P341-F517 VanDerWaalsContact O-CA 3.27Å; P341-F517 WeakPolarHBondContact O-CA 3.45Å; P341-Q518 PolarHBondContact O-N 3.23Å
342R97.6Very high97.9Very high9 Ų926.6 Ų26.63%0.03414%0.135CC..EExtended strand (participates in β ladder)trans-91.3138.6177.8-82.553.8-178.7-174.9-4109.1N337 A340 N368 H369 R378 Q518 E520N337-R342 PolarHBondContact O-NH1 3.35Å; N337-R342 PolarHBondContact O-NH2 3.04Å; N337-R342 PolarHBondContact OD1-NH2 2.73Å; N337-R342 VanDerWaalsContact OD1-NH2 3.07Å; A340-R342 PolarHBondContact O-NH1 2.79Å; R342-N368 PolarHBondContact N-O 3.12Å; R342-H369 PolarHBondContact NH1-CD2 3.36Å; R342-H369 PolarHBondContact NH1-NE2 3.45Å; R342-R378 PolarHBondContact O-NE 3.24Å; R342-R378 PolarHBondContact O-NH1 2.87Å; R342-R378 PolarHBondContact O-NH2 2.78Å; R342-Q518 WeakPolarHBondContact CA-O 3.46Å; R342-Q518 HydrophobicContact CG-CB 4.07Å; R342-E520 HydrophobicContact CB-CG 4.36Å
343A97.8Very high97.9Very high0 Ų027.8 Ų27.80%014%0.142CC..EExtended strand (participates in β ladder)trans-141.5162.9174.100000109.6E505 L508 F517 Q518 F519 E520A343-E505 WeakPolarHBondContact CA-OE2 3.24Å; A343-E505 HydrophobicContact CB-CG 4.23Å; A343-L508 HydrophobicContact CB-CD1 3.82Å; A343-L508 HydrophobicContact CB-CD2 3.98Å; A343-L508 HydrophobicContact CB-CG 4.04Å; A343-F517 HydrophobicContact CB-CD1 4.13Å; A343-Q518 PolarHBondContact N-O 2.56Å; A343-F519 HydrophobicContact CB-CD1 4.34Å; A343-F519 HydrophobicContact CB-CE1 4.47Å; A343-F519 WeakPolarHBondContact O-CA 3.29Å; A343-E520 PolarHBondContact O-N 2.82Å
344M97.8Very high97.9Very high0 Ų026.5 Ų26.50%014%0.137CC..  trans-103.3130.4173.7-63.5-168.2-64.700110.4M366 V380 R413 H458 W459 V460 E505 E520M344-M366 HydrophobicContact CE-CE 3.49Å; M344-M366 VanDerWaalsContact CE-CE 3.49Å; M344-M366 HydrophobicContact CE-SD 3.8Å; M344-M366 HydrophobicContact SD-CE 4.39Å; M344-M366 HydrophobicContact SD-SD 4.38Å; M344-V380 HydrophobicContact CE-CB 4.5Å; M344-V380 HydrophobicContact CE-CG1 3.63Å; M344-R413 HydrophobicContact SD-CB 3.95Å; M344-R413 HydrophobicContact SD-CG 4.21Å; M344-H458 HydrophobicContact CB-CB 4.48Å; M344-H458 HydrophobicContact CG-CB 4.15Å; M344-H458 HydrophobicContact SD-CB 4.11Å; M344-W459 HydrophobicContact CE-CD2 4.36Å; M344-W459 HydrophobicContact CE-CZ2 4.15Å; M344-W459 WeakPolarHBondContact CE-O 3.43Å; M344-W459 VanDerWaalsContact SD-O 3.37Å; M344-V460 HydrophobicContact CB-CG1 4.12Å; M344-E505 PolarHBondContact N-OE2 3.37Å; M344-E505 WeakPolarHBondContact O-CG 3.47Å; M344-E505 PolarHBondContact O-N 2.96Å; M344-E520 HydrophobicContact CG-CB 4.48Å; M344-E520 HydrophobicContact CG-CG 4.43Å
345A98.4Very high97.8Very high0 Ų027.2 Ų27.20%014%0.141CC..EExtended strand (participates in β ladder)trans-143142.1167.700000108.3H458 F503 A504 F519A345-H458 PolarHBondContact O-CD2 2.82Å; A345-H458 PolarHBondContact O-NE2 2.97Å; A345-F503 CarbonylContact C-O 3.56Å; A345-F503 VanDerWaalsContact CA-O 3.31Å; A345-F503 WeakPolarHBondContact CA-O 3.49Å; A345-A504 HydrophobicContact CB-CB 4.18Å; A345-F519 HydrophobicContact CB-CB 4.46Å; A345-F519 HydrophobicContact CB-CD1 4.28Å; A345-F519 HydrophobicContact CB-CD2 3.42Å; A345-F519 VanDerWaalsContact CB-CD2 3.42Å; A345-F519 HydrophobicContact CB-CE1 4.38Å; A345-F519 HydrophobicContact CB-CE2 3.52Å; A345-F519 HydrophobicContact CB-CG 3.82Å; A345-F519 HydrophobicContact CB-CZ 4.02Å
346V98.6Very high97.7Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-104.6121.3177.8172.60000107.9P349 W387 I388 D389 V460 G502 F503V346-P349 HydrophobicContact CG1-CB 3.85Å; V346-W387 HydrophobicContact CB-CB 4.48Å; V346-W387 HydrophobicContact CG1-CB 4.36Å; V346-W387 HydrophobicContact CG2-CB 4.3Å; V346-I388 VanDerWaalsContact CG1-O 3.3Å; V346-I388 WeakPolarHBondContact CG1-O 3.5Å; V346-D389 WeakPolarHBondContact CA-OD2 3.34Å; V346-D389 HydrophobicContact CG1-CB 4.46Å; V346-V460 HydrophobicContact CB-CG2 4.4Å; V346-V460 HydrophobicContact CG2-CG2 3.91Å; V346-G502 CarbonylContact O-C 3.5Å; V346-G502 WeakPolarHBondContact O-CA 3.39Å; V346-F503 PolarHBondContact N-O 3.24Å; V346-F503 PolarHBondContact O-N 2.95Å
347I98.3Very high97.5Very high10 Ų1030.2 Ų30.25%0.05115%0.154CC..SBendtrans-88.4-43.6-171.4-58.6-170.7000112.2P349 D389 I470 L472 K500 E522 F525I347-P349 WeakPolarHBondContact O-CD 3.39Å; I347-D389 PolarHBondContact N-OD2 3.14Å; I347-I470 HydrophobicContact CB-CD1 4.39Å; I347-I470 HydrophobicContact CD1-CG2 4.43Å; I347-I470 HydrophobicContact CG1-CD1 3.91Å; I347-L472 HydrophobicContact CD1-CD2 4.08Å; I347-L472 HydrophobicContact CG2-CD1 4.12Å; I347-L472 HydrophobicContact CG2-CD2 4.48Å; I347-K500 HydrophobicContact CG2-CB 4Å; I347-K500 HydrophobicContact CG2-CG 3.99Å; I347-E522 HydrophobicContact CD1-CB 3.79Å; I347-E522 HydrophobicContact CD1-CG 3.68Å; I347-E522 WeakPolarHBondContact CD1-OE2 3.46Å; I347-E522 HydrophobicContact CG1-CG 4.05Å; I347-F525 HydrophobicContact CD1-CE1 4.47Å; I347-F525 HydrophobicContact CD1-CZ 3.86Å
348D97.6Very high97Very high54 Ų5436.4 Ų36.429%0.28918%0.181SC..SBendtrans-120.283.3177.5-172.22.9000109.4D389 R390D348-D389 WeakPolarHBondContact CB-OD1 3.21Å; D348-D389 PolarHBondContact N-OD1 3.37Å; D348-D389 CarbonylContact O-C 3.6Å; D348-R390 HydrophobicContact CB-CB 4.31Å; D348-R390 VanDerWaalsContact O-CB 3.28Å; D348-R390 WeakPolarHBondContact O-CB 3.44Å; D348-R390 PolarHBondContact O-N 3.1Å; D348-R390 IonicContact OD1-NE 2.69Å; D348-R390 PolarHBondContact OD1-NE 3.47Å
349P98.3Very high96.2Very high25 Ų2534.2 Ų34.216%0.16218%0.182CC..EExtended strand (participates in β ladder)trans-68.4137.8-167.225.9-34.1000113.8V346 I347 W387 R390 F503V346-P349 HydrophobicContact CG1-CB 3.85Å; I347-P349 WeakPolarHBondContact O-CD 3.39Å; P349-W387 HydrophobicContact CB-CB 4.38Å; P349-W387 HydrophobicContact CB-CD2 4.14Å; P349-W387 HydrophobicContact CB-CE3 3.71Å; P349-W387 HydrophobicContact CB-CG 4.42Å; P349-W387 HydrophobicContact CB-CZ3 4.33Å; P349-R390 PolarHBondContact O-NH2 3.27Å; P349-F503 HydrophobicContact CB-CD2 3.74Å; P349-F503 HydrophobicContact CB-CE2 4.07Å; P349-F503 HydrophobicContact CG-CD2 3.83Å; P349-F503 HydrophobicContact CG-CE2 3.91Å
350V98.1Very high95.6Very high3 Ų340.3 Ų40.32%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-126.9136.8161.563.60000109.2W387 I388 R390 I431 I434V350-W387 VanDerWaalsContact C-CE3 3.46Å; V350-I388 HydrophobicContact CG1-CD1 4.21Å; V350-I388 HydrophobicContact CG1-CG1 3.61Å; V350-I388 PolarHBondContact N-O 3.03Å; V350-I388 PolarHBondContact O-N 2.82Å; V350-R390 HydrophobicContact CB-CB 4.4Å; V350-R390 HydrophobicContact CG1-CB 4.37Å; V350-I431 HydrophobicContact CG2-CG2 4.18Å; V350-I434 HydrophobicContact CG1-CD1 3.79Å; V350-I434 HydrophobicContact CG2-CD1 4.05Å; V350-I434 HydrophobicContact CG2-CG1 4.35Å
351K98.5Very high95.1Very high55 Ų5541.9 Ų41.924%0.23922%0.224CC..EExtended strand (participates in β ladder)trans-72.4135.6-176.1-166.4175.9-177.9-178.80109.2V353 E385 W387 T433 I434K351-V353 HydrophobicContact CD-CG2 4.43Å; K351-V353 HydrophobicContact CG-CG2 4.42Å; K351-E385 VanDerWaalsContact CE-CD 3.43Å; K351-E385 WeakPolarHBondContact CE-OE2 3.41Å; K351-E385 IonicContact NZ-OE1 3.32Å; K351-E385 PolarHBondContact NZ-OE1 3.09Å; K351-E385 IonicContact NZ-OE2 3.08Å; K351-E385 PolarHBondContact NZ-OE2 2.95Å; K351-W387 VanDerWaalsContact CA-CZ3 3.5Å; K351-W387 HydrophobicContact CB-CE3 4.04Å; K351-W387 HydrophobicContact CB-CH2 3.94Å; K351-W387 HydrophobicContact CB-CZ3 3.49Å; K351-W387 VanDerWaalsContact CB-CZ3 3.49Å; K351-W387 HydrophobicContact CG-CH2 4.27Å; K351-W387 HydrophobicContact CG-CZ3 4.18Å; K351-W387 VanDerWaalsContact N-CZ3 3.33Å; K351-T433 HydrophobicContact CB-CG2 4.35Å; K351-T433 HydrophobicContact CG-CG2 4.45Å; K351-T433 WeakPolarHBondContact O-CA 3.29Å; K351-I434 PolarHBondContact O-N 3.33Å
352L98.5Very high94.9Very high0 Ų043 Ų430%023%0.227CC..EExtended strand (participates in β ladder)trans-124.6126172-170.2156.8000109.7I354 I386 I388 L404 I418 I434 C436L352-I354 HydrophobicContact CD2-CG1 3.74Å; L352-I386 HydrophobicContact CB-CD1 4.47Å; L352-I386 HydrophobicContact CB-CG1 3.81Å; L352-I386 HydrophobicContact CD2-CD1 3.95Å; L352-I386 HydrophobicContact CD2-CG1 3.94Å; L352-I386 HydrophobicContact CG-CG1 4.36Å; L352-I386 PolarHBondContact N-O 3.47Å; L352-I386 PolarHBondContact O-N 3.03Å; L352-I388 HydrophobicContact CD1-CD1 3.81Å; L352-I388 HydrophobicContact CD1-CG1 4.34Å; L352-I388 HydrophobicContact CD1-CG2 4.26Å; L352-L404 HydrophobicContact CD1-CD2 3.85Å; L352-I418 HydrophobicContact CD1-CD1 3.58Å; L352-I418 HydrophobicContact CD2-CD1 4.09Å; L352-I418 HydrophobicContact CG-CD1 4.49Å; L352-I434 CarbonylContact C-O 3.46Å; L352-I434 VanDerWaalsContact CA-O 3.26Å; L352-I434 WeakPolarHBondContact CA-O 3.28Å; L352-I434 HydrophobicContact CD1-CG2 4.42Å; L352-I434 HydrophobicContact CG-CB 4.33Å; L352-I434 HydrophobicContact CG-CG2 4.45Å; L352-C436 HydrophobicContact CD2-CB 3.89Å; L352-C436 HydrophobicContact CG-CB 4.46Å
353V98.3Very high94.8Very high25 Ų2548.1 Ų48.115%0.15225%0.252CS..EExtended strand (participates in β ladder)trans-112.9124.4179.9179.50000109.2K351 E385 T433 I434 F435 C436K351-V353 HydrophobicContact CD-CG2 4.43Å; K351-V353 HydrophobicContact CG-CG2 4.42Å; V353-E385 HydrophobicContact CG2-CG 4.4Å; V353-T433 HydrophobicContact CG2-CG2 3.82Å; V353-I434 PolarHBondContact N-O 3.33Å; V353-F435 HydrophobicContact CB-CD1 3.86Å; V353-F435 HydrophobicContact CB-CE1 4.07Å; V353-F435 HydrophobicContact CG1-CD1 4.16Å; V353-F435 HydrophobicContact CG1-CE1 4.31Å; V353-F435 HydrophobicContact CG2-CE1 4.28Å; V353-F435 WeakPolarHBondContact O-CA 3.36Å; V353-C436 PolarHBondContact O-N 3.21Å
354I97.8Very high94.7Very high5 Ų548.4 Ų48.43%0.02625%0.254CS..EExtended strand (participates in β ladder)trans-93.598.4177.2-54.4176.1000108.1L352 N356 Y357 F382 G384 I418 C436 Y438L352-I354 HydrophobicContact CD2-CG1 3.74Å; I354-N356 VanDerWaalsContact C-N 3.33Å; I354-N356 PolarHBondContact O-N 3.28Å; I354-Y357 WeakPolarHBondContact O-CB 3.27Å; I354-Y357 PolarHBondContact O-N 3.14Å; I354-Y357 VanDerWaalsContact O-N 3.17Å; I354-F382 HydrophobicContact CD1-CE1 4.35Å; I354-F382 HydrophobicContact CD1-CE2 4.13Å; I354-F382 HydrophobicContact CD1-CZ 3.47Å; I354-F382 VanDerWaalsContact CD1-CZ 3.47Å; I354-G384 PolarHBondContact N-O 3.05Å; I354-I418 HydrophobicContact CD1-CG2 4.23Å; I354-C436 CarbonylContact C-O 3.59Å; I354-C436 WeakPolarHBondContact CA-O 3.46Å; I354-Y438 HydrophobicContact CG2-CD1 3.7Å; I354-Y438 HydrophobicContact CG2-CG 3.92Å
355E96.2Very high94.6Very high92 Ų9252.1 Ų52.143%0.4328%0.277SS..THydrogen-bonded Turntrans-65.5-33.2-168.2-65.1-175.8122.400113.4R422 F435 C436E355-R422 IonicContact OE1-CZ 3.41Å; E355-R422 VanDerWaalsContact OE1-CZ 3.24Å; E355-R422 IonicContact OE1-NE 2.77Å; E355-R422 PolarHBondContact OE1-NE 3.17Å; E355-R422 IonicContact OE1-NH2 2.72Å; E355-R422 PolarHBondContact OE1-NH2 2.89Å; E355-R422 IonicContact OE2-NE 2.88Å; E355-F435 HydrophobicContact CG-CB 4.11Å; E355-F435 HydrophobicContact CG-CD1 3.98Å; E355-C436 PolarHBondContact N-O 3.08Å
356N96Very high94.4Very high66 Ų6652.2 Ų52.235%0.35328%0.277SS..THydrogen-bonded Turntrans-95.311.7179.369.3-39.3000113.4I354 Q358 T437 Y438I354-N356 VanDerWaalsContact C-N 3.33Å; I354-N356 PolarHBondContact O-N 3.28Å; N356-Q358 PolarHBondContact O-N 3.09Å; N356-T437 WeakPolarHBondContact OD1-CA 3.34Å; N356-T437 WeakPolarHBondContact OD1-CB 3.48Å; N356-Y438 PolarHBondContact ND2-O 3.13Å; N356-Y438 WeakPolarHBondContact O-CE1 3.22Å; N356-Y438 WeakPolarHBondContact OD1-CD1 3.28Å; N356-Y438 PolarHBondContact OD1-N 2.8Å
357Y95Very high94.3Very high33 Ų3355.5 Ų55.513%0.12930%0.299CS..  trans-73.6122.7175.2-171.2-107.2000110.7I354 G359 F382 G384 Y438I354-Y357 WeakPolarHBondContact O-CB 3.27Å; I354-Y357 PolarHBondContact O-N 3.14Å; I354-Y357 VanDerWaalsContact O-N 3.17Å; Y357-G359 WeakPolarHBondContact CE1-O 3.47Å; Y357-F382 AromaticContact CD2-CE1 3.83Å; Y357-F382 HydrophobicContact CD2-CE1 3.83Å; Y357-F382 AromaticContact CE2-CD1 3.79Å; Y357-F382 HydrophobicContact CE2-CD1 3.79Å; Y357-F382 AromaticContact CE2-CE1 3.37Å; Y357-F382 HydrophobicContact CE2-CE1 3.37Å; Y357-F382 AromaticContact CZ-CD1 3.85Å; Y357-F382 AromaticContact CZ-CE1 3.84Å; Y357-G384 VanDerWaalsContact CD1-N 3.3Å; Y357-Y438 HydrophobicContact CD2-CE1 4.2Å; Y357-Y438 HydrophobicContact CD2-CE2 4.19Å
358Q85.3Confident94.2Very high186 Ų18656.5 Ų56.587%0.86930%0.304SS*.  trans-110.2-0.4-177.4-63.1-167.5-19.500113.6N356N356-Q358 PolarHBondContact O-N 3.09Å
359G81Confident94.2Very high40 Ų4054.1 Ų54.141%0.41229%0.291SS..  trans-80.4155.7-179.800000113Y357 G361Y357-G359 WeakPolarHBondContact CE1-O 3.47Å; G359-G361 PolarHBondContact O-N 2.77Å
360E82.8Confident94Very high213 Ų21356.7 Ų56.7100%0.99531%0.308SS*.SBendtrans-80.6-2.2171.6-63.2-173.3166.300112.9
361G88.3Confident93.8Very high35 Ų3562.2 Ų62.236%0.36134%0.338SS..  trans118.6145.9-171.900000110.8G359 F382G359-G361 PolarHBondContact O-N 2.77Å; G361-F382 VanDerWaalsContact CA-O 3.28Å; G361-F382 WeakPolarHBondContact CA-O 3.12Å
362E93.4Very high93.6Very high51 Ų5161.9 Ų61.924%0.23834%0.336CS..EExtended strand (participates in β ladder)trans-140.6159.2-179.865.8-178.592.600111.3P381 F382 Y416 L443E362-P381 CarbonylContact O-C 3.51Å; E362-P381 WeakPolarHBondContact O-CA 3.42Å; E362-F382 HydrophobicContact CG-CB 3.85Å; E362-F382 HydrophobicContact CG-CD1 4.03Å; E362-F382 HydrophobicContact CG-CG 4.37Å; E362-F382 PolarHBondContact N-O 2.82Å; E362-F382 VanDerWaalsContact N-O 3.08Å; E362-F382 PolarHBondContact O-N 2.75Å; E362-Y416 VanDerWaalsContact CD-OH 3.26Å; E362-Y416 WeakPolarHBondContact OE1-CE2 3.22Å; E362-Y416 PolarHBondContact OE1-OH 3.29Å; E362-Y416 PolarHBondContact OE2-OH 2.66Å; E362-L443 VanDerWaalsContact OE2-CD2 3.28Å; E362-L443 WeakPolarHBondContact OE2-CD2 3.22Å
363M95.4Very high93.5Very high117 Ų11767.2 Ų67.258%0.57637%0.371SS*.EExtended strand (participates in β ladder)trans-101.2119.8176.4-68.8-66.417900110Q379 P381M363-Q379 HydrophobicContact CB-CB 4.42Å; M363-Q379 HydrophobicContact SD-CB 4.22Å; M363-P381 HydrophobicContact CE-CB 4.21Å; M363-P381 HydrophobicContact SD-CB 3.98Å
364V95.2Very high93.4Very high6 Ų672.8 Ų72.84%0.03640%0.395CS..EExtended strand (participates in β ladder)trans-94.6119.2175.3-175.30000108.7M366 V380 F382 N414 L443V364-M366 HydrophobicContact CB-CE 4.07Å; V364-M366 HydrophobicContact CG1-CE 3.76Å; V364-M366 HydrophobicContact CG1-CG 4.16Å; V364-M366 PolarHBondContact O-N 3.43Å; V364-V380 PolarHBondContact N-O 2.94Å; V364-V380 PolarHBondContact O-N 3.01Å; V364-F382 HydrophobicContact CG2-CB 3.94Å; V364-N414 HydrophobicContact CG1-CB 4.22Å; V364-N414 WeakPolarHBondContact CG1-O 3.3Å; V364-L443 HydrophobicContact CG2-CD1 4.42Å
365T94.9Very high93.3Very high79 Ų7975.5 Ų75.549%0.48541%0.409SS..EExtended strand (participates in β ladder)trans-77.2123.3175.1-59.70000110Q379T365-Q379 PolarHBondContact OG1-NE2 3.22Å; T365-Q379 PolarHBondContact OG1-OE1 3.01Å; T365-Q379 VanDerWaalsContact OG1-OE1 3.11Å
366M95.3Very high93.3Very high1 Ų172.8 Ų72.81%0.00541%0.406CS..EExtended strand (participates in β ladder)trans-125.5137.4179.6-56.9-161.8-172.300111.1M344 V364 S377 R378 V380 R413 N414 W459M344-M366 HydrophobicContact CE-CE 3.49Å; M344-M366 VanDerWaalsContact CE-CE 3.49Å; M344-M366 HydrophobicContact CE-SD 3.8Å; M344-M366 HydrophobicContact SD-CE 4.39Å; M344-M366 HydrophobicContact SD-SD 4.38Å; V364-M366 HydrophobicContact CB-CE 4.07Å; V364-M366 HydrophobicContact CG1-CE 3.76Å; V364-M366 HydrophobicContact CG1-CG 4.16Å; V364-M366 PolarHBondContact O-N 3.43Å; M366-S377 CarbonylContact O-C 3.58Å; M366-S377 VanDerWaalsContact O-CA 3.23Å; M366-S377 WeakPolarHBondContact O-CA 3.38Å; M366-S377 VanDerWaalsContact O-CB 3.28Å; M366-S377 WeakPolarHBondContact O-CB 3.47Å; M366-R378 PolarHBondContact N-O 2.8Å; M366-R378 PolarHBondContact O-N 2.81Å; M366-V380 HydrophobicContact CB-CG2 4.36Å; M366-V380 HydrophobicContact CE-CB 3.98Å; M366-V380 HydrophobicContact CE-CG1 4.23Å; M366-V380 HydrophobicContact CE-CG2 4.17Å; M366-V380 HydrophobicContact CG-CG2 3.96Å; M366-V380 HydrophobicContact SD-CB 4.37Å; M366-V380 HydrophobicContact SD-CG2 3.88Å; M366-R413 WeakPolarHBondContact CE-O 3.39Å; M366-N414 HydrophobicContact CE-CB 3.87Å; M366-N414 HydrophobicContact CG-CB 3.94Å; M366-N414 WeakPolarHBondContact CG-ND2 3.37Å; M366-N414 HydrophobicContact SD-CB 3.94Å; M366-N414 PolarHBondContact SD-ND2 2.9Å; M366-W459 HydrophobicContact CE-CZ2 3.76Å
367P95.8Very high93.3Very high70 Ų7073 Ų7346%0.45541%0.413SS..EExtended strand (participates in β ladder)trans-66.4143.1174.628.6-34.2000110.7H369 R378P367-H369 VanDerWaalsContact C-N 3.31Å; P367-R378 PolarHBondContact O-NH1 3.44Å
368N96.9Very high93.3Very high30 Ų3072.7 Ų72.716%0.1641%0.411CS..SBendtrans-75-23.4176.2-69.4-24000112.1P341 R342 M375 G376 R378P341-N368 CarbonylContact C-O 3.53Å; P341-N368 VanDerWaalsContact CA-O 3.28Å; P341-N368 WeakPolarHBondContact CA-O 3.46Å; P341-N368 HydrophobicContact CB-CB 4.29Å; R342-N368 PolarHBondContact N-O 3.12Å; N368-M375 HydrophobicContact CB-CB 4.18Å; N368-M375 PolarHBondContact ND2-O 2.99Å; N368-G376 PolarHBondContact N-O 2.83Å; N368-R378 WeakPolarHBondContact OD1-CB 3.48Å; N368-R378 VanDerWaalsContact OD1-CD 3.29Å; N368-R378 WeakPolarHBondContact OD1-CD 3.37Å; N368-R378 WeakPolarHBondContact OD1-CG 3.45Å
369H96.9Very high93.8Very high4 Ų468.4 Ų68.42%0.01939%0.391CS..  trans-145.2138.2177.7-165.8-85.7000110.2N337 E338 R342 P367 N371 K372 M375N337-H369 PolarHBondContact O-NE2 2.85Å; E338-H369 PolarHBondContact O-NE2 3.1Å; R342-H369 PolarHBondContact NH1-CD2 3.36Å; R342-H369 PolarHBondContact NH1-NE2 3.45Å; P367-H369 VanDerWaalsContact C-N 3.31Å; H369-N371 VanDerWaalsContact C-N 3.31Å; H369-N371 PolarHBondContact ND1-N 2.86Å; H369-N371 VanDerWaalsContact ND1-N 3.11Å; H369-N371 PolarHBondContact O-N 3.1Å; H369-K372 HydrophobicContact CB-CB 3.84Å; H369-K372 WeakPolarHBondContact ND1-CB 3.46Å; H369-K372 PolarHBondContact ND1-N 3.18Å; H369-K372 VanDerWaalsContact ND1-N 3.13Å; H369-M375 HydrophobicContact CB-CB 4.2Å; H369-M375 HydrophobicContact CB-CG 4.29Å; H369-M375 HydrophobicContact CB-SD 3.59Å; H369-M375 VanDerWaalsContact CB-SD 3.59Å
370P93.9Very high94.6Very high79 Ų7966.6 Ų66.651%0.51337%0.372SS..SBendtrans-65.4-34.4-177.324.8-34.4000113.2
371N94.5Very high95.3Very high120 Ų12056.8 Ų56.864%0.64233%0.327SS*.SBendtrans-114.93.6-172.4-56.5-29.2000113.8H369H369-N371 VanDerWaalsContact C-N 3.31Å; H369-N371 PolarHBondContact ND1-N 2.86Å; H369-N371 VanDerWaalsContact ND1-N 3.11Å; H369-N371 PolarHBondContact O-N 3.1Å
372K95.3Very high95.7Very high47 Ų4755.1 Ų55.120%0.20431%0.31CS..  trans-132.277.8-174.2-70.7-171.8176178.70111.2E338 H369 E374 M375E338-K372 WeakPolarHBondContact O-CD 3.16Å; E338-K372 VanDerWaalsContact O-CE 3.29Å; E338-K372 WeakPolarHBondContact O-CE 3.33Å; E338-K372 PolarHBondContact O-NZ 2.8Å; E338-K372 IonicContact OE2-NZ 2.86Å; H369-K372 HydrophobicContact CB-CB 3.84Å; H369-K372 WeakPolarHBondContact ND1-CB 3.46Å; H369-K372 PolarHBondContact ND1-N 3.18Å; H369-K372 VanDerWaalsContact ND1-N 3.13Å; K372-E374 VanDerWaalsContact CA-OE2 3.22Å; K372-E374 WeakPolarHBondContact CA-OE2 3.45Å; K372-E374 VanDerWaalsContact CB-OE1 3.25Å; K372-E374 WeakPolarHBondContact CB-OE1 3.27Å; K372-E374 WeakPolarHBondContact CD-OE1 3.44Å; K372-E374 VanDerWaalsContact CG-OE1 3.29Å; K372-E374 WeakPolarHBondContact CG-OE1 3.14Å; K372-E374 PolarHBondContact O-N 2.9Å; K372-E374 VanDerWaalsContact O-N 3.16Å; K372-M375 HydrophobicContact CB-CG 3.98Å; K372-M375 HydrophobicContact CB-SD 4.11Å; K372-M375 HydrophobicContact CD-SD 4.23Å; K372-M375 WeakPolarHBondContact O-CB 3.42Å; K372-M375 PolarHBondContact O-N 2.81Å
373P94.6Very high95.8Very high112 Ų11253.3 Ų53.373%0.72730%0.303SS*.G310 helixtrans-56.8-26.7-179-23.234.1000113.7M375 G376P373-M375 PolarHBondContact O-N 2.83Å; P373-G376 WeakPolarHBondContact O-CA 3.49Å; P373-G376 PolarHBondContact O-N 3.1Å
374E96.7Very high95.8Very high143 Ų14348.5 Ų48.567%0.66828%0.283SS*.G310 helixtrans-63.9-19.9176.672.2-79.4-172.300113.6K372 G376K372-E374 VanDerWaalsContact CA-OE2 3.22Å; K372-E374 WeakPolarHBondContact CA-OE2 3.45Å; K372-E374 VanDerWaalsContact CB-OE1 3.25Å; K372-E374 WeakPolarHBondContact CB-OE1 3.27Å; K372-E374 WeakPolarHBondContact CD-OE1 3.44Å; K372-E374 VanDerWaalsContact CG-OE1 3.29Å; K372-E374 WeakPolarHBondContact CG-OE1 3.14Å; K372-E374 PolarHBondContact O-N 2.9Å; K372-E374 VanDerWaalsContact O-N 3.16Å; E374-G376 PolarHBondContact O-N 2.88Å
375M95.3Very high96Very high61 Ų6152.4 Ų52.430%0.330%0.301SS..G310 helixtrans-74.6-4.1170.6-62.6-172.279.500112.7P341 N368 H369 K372 P373P341-M375 HydrophobicContact CB-CE 4.15Å; P341-M375 HydrophobicContact CG-CE 4.47Å; N368-M375 HydrophobicContact CB-CB 4.18Å; N368-M375 PolarHBondContact ND2-O 2.99Å; H369-M375 HydrophobicContact CB-CB 4.2Å; H369-M375 HydrophobicContact CB-CG 4.29Å; H369-M375 HydrophobicContact CB-SD 3.59Å; H369-M375 VanDerWaalsContact CB-SD 3.59Å; K372-M375 HydrophobicContact CB-CG 3.98Å; K372-M375 HydrophobicContact CB-SD 4.11Å; K372-M375 HydrophobicContact CD-SD 4.23Å; K372-M375 WeakPolarHBondContact O-CB 3.42Å; K372-M375 PolarHBondContact O-N 2.81Å; P373-M375 PolarHBondContact O-N 2.83Å
376G96.5Very high96.1Very high36 Ų3648.7 Ų48.737%0.37128%0.278SS..  trans74.5-160.6175.500000114.2N368 P373 E374N368-G376 PolarHBondContact N-O 2.83Å; P373-G376 WeakPolarHBondContact O-CA 3.49Å; P373-G376 PolarHBondContact O-N 3.1Å; E374-G376 PolarHBondContact O-N 2.88Å
377S96.2Very high96.3Very high71 Ų7151.2 Ų51.250%0.49729%0.287SS..EExtended strand (participates in β ladder)trans-132.6165.6179.660.30000110.5M366M366-S377 CarbonylContact O-C 3.58Å; M366-S377 VanDerWaalsContact O-CA 3.23Å; M366-S377 WeakPolarHBondContact O-CA 3.38Å; M366-S377 VanDerWaalsContact O-CB 3.28Å; M366-S377 WeakPolarHBondContact O-CB 3.47Å
378R95.7Very high96.4Very high25 Ų2547.9 Ų47.99%0.09427%0.266CS..EExtended strand (participates in β ladder)trans-131154176.367.6-168.5-168.6-72.1-2.4110.4R342 M366 P367 N368 V380 E505R342-R378 PolarHBondContact O-NE 3.24Å; R342-R378 PolarHBondContact O-NH1 2.87Å; R342-R378 PolarHBondContact O-NH2 2.78Å; M366-R378 PolarHBondContact N-O 2.8Å; M366-R378 PolarHBondContact O-N 2.81Å; P367-R378 PolarHBondContact O-NH1 3.44Å; N368-R378 WeakPolarHBondContact OD1-CB 3.48Å; N368-R378 VanDerWaalsContact OD1-CD 3.29Å; N368-R378 WeakPolarHBondContact OD1-CD 3.37Å; N368-R378 WeakPolarHBondContact OD1-CG 3.45Å; R378-V380 HydrophobicContact CG-CG2 4.11Å; R378-E505 WeakPolarHBondContact CD-OE1 3.17Å; R378-E505 IonicContact CZ-OE1 3.23Å; R378-E505 IonicContact CZ-OE2 3.58Å; R378-E505 VanDerWaalsContact NE-CD 3.28Å; R378-E505 IonicContact NE-OE1 2.72Å; R378-E505 PolarHBondContact NE-OE1 2.86Å; R378-E505 IonicContact NE-OE2 2.65Å; R378-E505 PolarHBondContact NE-OE2 3.11Å; R378-E505 VanDerWaalsContact NE-OE2 3.13Å; R378-E505 IonicContact NH2-OE1 3.64Å; R378-E505 IonicContact NH2-OE2 3.43Å; R378-E505 PolarHBondContact NH2-OE2 3.19Å
379Q96.1Very high96.5Very high97 Ų9746.9 Ų46.945%0.45326%0.26SS..EExtended strand (participates in β ladder)trans-92127.4173.8-61.8-58-35.700109.1M363 T365M363-Q379 HydrophobicContact CB-CB 4.42Å; M363-Q379 HydrophobicContact SD-CB 4.22Å; T365-Q379 PolarHBondContact OG1-NE2 3.22Å; T365-Q379 PolarHBondContact OG1-OE1 3.01Å; T365-Q379 VanDerWaalsContact OG1-OE1 3.11Å
380V96.8Very high96.5Very high1 Ų151 Ų511%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-118.5120178.2-1750000109M344 V364 M366 R378 W459 E505M344-V380 HydrophobicContact CE-CB 4.5Å; M344-V380 HydrophobicContact CE-CG1 3.63Å; V364-V380 PolarHBondContact N-O 2.94Å; V364-V380 PolarHBondContact O-N 3.01Å; M366-V380 HydrophobicContact CB-CG2 4.36Å; M366-V380 HydrophobicContact CE-CB 3.98Å; M366-V380 HydrophobicContact CE-CG1 4.23Å; M366-V380 HydrophobicContact CE-CG2 4.17Å; M366-V380 HydrophobicContact CG-CG2 3.96Å; M366-V380 HydrophobicContact SD-CB 4.37Å; M366-V380 HydrophobicContact SD-CG2 3.88Å; R378-V380 HydrophobicContact CG-CG2 4.11Å; V380-W459 HydrophobicContact CG1-CH2 4.17Å; V380-E505 HydrophobicContact CG1-CB 4.49Å
381P97.4Very high96.6Very high8 Ų849.9 Ų49.95%0.05227%0.274CS..EExtended strand (participates in β ladder)trans-69.5135.5-179.427.7-33.7000111.1E362 M363 W459 S461 H464 P506E362-P381 CarbonylContact O-C 3.51Å; E362-P381 WeakPolarHBondContact O-CA 3.42Å; M363-P381 HydrophobicContact CE-CB 4.21Å; M363-P381 HydrophobicContact SD-CB 3.98Å; P381-W459 WeakPolarHBondContact O-CH2 3.47Å; P381-W459 WeakPolarHBondContact O-CZ3 3.14Å; P381-S461 WeakPolarHBondContact O-CB 3.49Å; P381-H464 HydrophobicContact CB-CB 4.11Å; P381-H464 HydrophobicContact CG-CB 3.55Å; P381-P506 HydrophobicContact CG-CG 3.7Å
382F97.1Very high96.7Very high0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-112.5143.7170.9-177.4-98.4000110.1I354 Y357 G361 E362 V364 I386 L412 A415 Y416 W459I354-F382 HydrophobicContact CD1-CE1 4.35Å; I354-F382 HydrophobicContact CD1-CE2 4.13Å; I354-F382 HydrophobicContact CD1-CZ 3.47Å; I354-F382 VanDerWaalsContact CD1-CZ 3.47Å; Y357-F382 AromaticContact CD2-CE1 3.83Å; Y357-F382 HydrophobicContact CD2-CE1 3.83Å; Y357-F382 AromaticContact CE2-CD1 3.79Å; Y357-F382 HydrophobicContact CE2-CD1 3.79Å; Y357-F382 AromaticContact CE2-CE1 3.37Å; Y357-F382 HydrophobicContact CE2-CE1 3.37Å; Y357-F382 AromaticContact CZ-CD1 3.85Å; Y357-F382 AromaticContact CZ-CE1 3.84Å; G361-F382 VanDerWaalsContact CA-O 3.28Å; G361-F382 WeakPolarHBondContact CA-O 3.12Å; E362-F382 HydrophobicContact CG-CB 3.85Å; E362-F382 HydrophobicContact CG-CD1 4.03Å; E362-F382 HydrophobicContact CG-CG 4.37Å; E362-F382 PolarHBondContact N-O 2.82Å; E362-F382 VanDerWaalsContact N-O 3.08Å; E362-F382 PolarHBondContact O-N 2.75Å; V364-F382 HydrophobicContact CG2-CB 3.94Å; F382-I386 HydrophobicContact CE2-CG2 4.46Å; F382-L412 HydrophobicContact CE2-CD1 3.77Å; F382-L412 HydrophobicContact CZ-CD1 4.42Å; F382-A415 HydrophobicContact CD2-CB 4.29Å; F382-A415 HydrophobicContact CE2-CB 4.41Å; F382-Y416 HydrophobicContact CD1-CD2 4.12Å; F382-Y416 AromaticContact CD1-CE2 3.78Å; F382-Y416 HydrophobicContact CD1-CE2 3.78Å; F382-Y416 AromaticContact CE1-CD2 3.51Å; F382-Y416 HydrophobicContact CE1-CD2 3.51Å; F382-Y416 AromaticContact CE1-CE2 3.48Å; F382-Y416 HydrophobicContact CE1-CE2 3.48Å; F382-Y416 VanDerWaalsContact CE1-CE2 3.48Å; F382-Y416 HydrophobicContact CE2-CD2 4.05Å; F382-Y416 HydrophobicContact CG-CE2 4.49Å; F382-Y416 AromaticContact CZ-CD2 3.48Å; F382-Y416 HydrophobicContact CZ-CD2 3.48Å; F382-Y416 VanDerWaalsContact CZ-CD2 3.48Å; F382-Y416 AromaticContact CZ-CE2 3.97Å; F382-Y416 HydrophobicContact CZ-CE2 3.97Å; F382-W459 HydrophobicContact CB-CH2 3.61Å; F382-W459 HydrophobicContact CB-CZ2 4.43Å; F382-W459 HydrophobicContact CB-CZ3 4.09Å; F382-W459 HydrophobicContact CD2-CD2 4.45Å; F382-W459 HydrophobicContact CD2-CE3 4.09Å; F382-W459 AromaticContact CD2-CH2 3.43Å; F382-W459 HydrophobicContact CD2-CH2 3.43Å; F382-W459 VanDerWaalsContact CD2-CH2 3.43Å; F382-W459 AromaticContact CD2-CZ2 3.76Å; F382-W459 HydrophobicContact CD2-CZ2 3.76Å; F382-W459 AromaticContact CD2-CZ3 3.58Å; F382-W459 HydrophobicContact CD2-CZ3 3.58Å; F382-W459 HydrophobicContact CG-CH2 4.01Å; F382-W459 HydrophobicContact CG-CZ3 4.29Å
383S95.6Very high96.8Very high13 Ų1342.6 Ų42.69%0.09124%0.236CC..  trans-149.1165.5179.453.10000110.8E385 I386 S461S383-E385 PolarHBondContact O-N 2.94Å; S383-E385 PolarHBondContact OG-O 2.81Å; S383-I386 WeakPolarHBondContact O-CG2 3.47Å; S383-S461 WeakPolarHBondContact OG-CB 3.49Å; S383-S461 PolarHBondContact OG-OG 3.39Å
384G96.1Very high96.9Very high16 Ų1643.1 Ų43.117%0.16522%0.224CC..SBendtrans-64.2-20176.800000114.2I354 Y357I354-G384 PolarHBondContact N-O 3.05Å; Y357-G384 VanDerWaalsContact CD1-N 3.3Å
385E97.7Very high96.9Very high88 Ų8839.8 Ų39.841%0.41121%0.208SC..EExtended strand (participates in β ladder)trans-111.2127.2170.2-55.6-166157.200110.5K351 V353 S383 A462K351-E385 VanDerWaalsContact CE-CD 3.43Å; K351-E385 WeakPolarHBondContact CE-OE2 3.41Å; K351-E385 IonicContact NZ-OE1 3.32Å; K351-E385 PolarHBondContact NZ-OE1 3.09Å; K351-E385 IonicContact NZ-OE2 3.08Å; K351-E385 PolarHBondContact NZ-OE2 2.95Å; V353-E385 HydrophobicContact CG2-CG 4.4Å; S383-E385 PolarHBondContact O-N 2.94Å; S383-E385 PolarHBondContact OG-O 2.81Å; E385-A462 HydrophobicContact CB-CB 3.92Å; E385-A462 WeakPolarHBondContact O-CB 3.08Å; E385-A462 PolarHBondContact O-N 3.3Å
386I98.2Very high96.9Very high0 Ų045.2 Ų45.20%023%0.233CC..EExtended strand (participates in β ladder)trans-134.5161.5179.268.2-178.3000110.8L352 F382 S383 I388 L412 W459 V460L352-I386 HydrophobicContact CB-CD1 4.47Å; L352-I386 HydrophobicContact CB-CG1 3.81Å; L352-I386 HydrophobicContact CD2-CD1 3.95Å; L352-I386 HydrophobicContact CD2-CG1 3.94Å; L352-I386 HydrophobicContact CG-CG1 4.36Å; L352-I386 PolarHBondContact N-O 3.47Å; L352-I386 PolarHBondContact O-N 3.03Å; F382-I386 HydrophobicContact CE2-CG2 4.46Å; S383-I386 WeakPolarHBondContact O-CG2 3.47Å; I386-I388 HydrophobicContact CD1-CG2 4.14Å; I386-I388 HydrophobicContact CG1-CG2 4.37Å; I386-L412 HydrophobicContact CD1-CD1 3.55Å; I386-L412 HydrophobicContact CD1-CD2 3.99Å; I386-L412 HydrophobicContact CD1-CG 4.44Å; I386-W459 HydrophobicContact CB-CE3 4.34Å; I386-W459 HydrophobicContact CD1-CB 4.06Å; I386-W459 HydrophobicContact CD1-CG 4.5Å; I386-W459 HydrophobicContact CG2-CE3 3.85Å; I386-W459 HydrophobicContact CG2-CZ3 4.32Å; I386-V460 CarbonylContact C-O 3.5Å; I386-V460 VanDerWaalsContact CA-O 3.28Å; I386-V460 WeakPolarHBondContact CA-O 3.37Å; I386-V460 WeakPolarHBondContact CB-O 3.28Å
387W98.6Very high96.7Very high55 Ų5544.8 Ų44.821%0.20823%0.226CC..EExtended strand (participates in β ladder)trans-100.6140.5163.8-59.6108.9000109.4V346 P349 V350 K351 W459 V460 F503V346-W387 HydrophobicContact CB-CB 4.48Å; V346-W387 HydrophobicContact CG1-CB 4.36Å; V346-W387 HydrophobicContact CG2-CB 4.3Å; P349-W387 HydrophobicContact CB-CB 4.38Å; P349-W387 HydrophobicContact CB-CD2 4.14Å; P349-W387 HydrophobicContact CB-CE3 3.71Å; P349-W387 HydrophobicContact CB-CG 4.42Å; P349-W387 HydrophobicContact CB-CZ3 4.33Å; V350-W387 VanDerWaalsContact C-CE3 3.46Å; K351-W387 VanDerWaalsContact CA-CZ3 3.5Å; K351-W387 HydrophobicContact CB-CE3 4.04Å; K351-W387 HydrophobicContact CB-CH2 3.94Å; K351-W387 HydrophobicContact CB-CZ3 3.49Å; K351-W387 VanDerWaalsContact CB-CZ3 3.49Å; K351-W387 HydrophobicContact CG-CH2 4.27Å; K351-W387 HydrophobicContact CG-CZ3 4.18Å; K351-W387 VanDerWaalsContact N-CZ3 3.33Å; W387-W459 WeakPolarHBondContact O-CA 3.42Å; W387-V460 HydrophobicContact CB-CG2 3.85Å; W387-V460 HydrophobicContact CG-CG2 4.45Å; W387-V460 PolarHBondContact N-O 3.12Å; W387-V460 PolarHBondContact O-N 3.22Å; W387-V460 VanDerWaalsContact O-N 3.08Å; W387-F503 AromaticContact CD1-CD2 3.74Å; W387-F503 AromaticContact CD1-CG 3.8Å; W387-F503 HydrophobicContact CD2-CD2 4.02Å; W387-F503 HydrophobicContact CD2-CE2 4.06Å; W387-F503 AromaticContact CE2-CE2 3.73Å; W387-F503 AromaticContact CG-CD2 3.87Å; W387-F503 HydrophobicContact CG-CD2 3.87Å; W387-F503 HydrophobicContact CG-CE2 4.36Å; W387-F503 HydrophobicContact CG-CG 4.3Å; W387-F503 HydrophobicContact CZ2-CE2 4.07Å; W387-F503 HydrophobicContact CZ2-CZ 4.28Å; W387-F503 AromaticContact NE1-CD2 3.82Å; W387-F503 AromaticContact NE1-CE2 3.8Å; W387-F503 AromaticContact NE1-CZ 3.98Å
388I98.5Very high96.5Very high0 Ų046 Ų460%023%0.226CC..EExtended strand (participates in β ladder)trans-128163.3166.164.2165.5000109V346 V350 L352 I386 F393 L404 I434 I457 W459V346-I388 VanDerWaalsContact CG1-O 3.3Å; V346-I388 WeakPolarHBondContact CG1-O 3.5Å; V350-I388 HydrophobicContact CG1-CD1 4.21Å; V350-I388 HydrophobicContact CG1-CG1 3.61Å; V350-I388 PolarHBondContact N-O 3.03Å; V350-I388 PolarHBondContact O-N 2.82Å; L352-I388 HydrophobicContact CD1-CD1 3.81Å; L352-I388 HydrophobicContact CD1-CG1 4.34Å; L352-I388 HydrophobicContact CD1-CG2 4.26Å; I386-I388 HydrophobicContact CD1-CG2 4.14Å; I386-I388 HydrophobicContact CG1-CG2 4.37Å; I388-F393 HydrophobicContact CD1-CB 4.45Å; I388-L404 HydrophobicContact CD1-CD2 4.36Å; I388-I434 HydrophobicContact CD1-CD1 4Å; I388-I457 HydrophobicContact CB-CD1 4.36Å; I388-I457 HydrophobicContact CD1-CD1 4.14Å; I388-I457 HydrophobicContact CG2-CD1 3.99Å; I388-W459 HydrophobicContact CG2-CB 4.09Å
389D98Very high96.1Very high9 Ų954.1 Ų54.15%0.04826%0.263CS..EExtended strand (participates in β ladder)trans-68.3134.5172.7-112.2-64.3000110.7V346 I347 D348 A391 D392 H458V346-D389 WeakPolarHBondContact CA-OD2 3.34Å; V346-D389 HydrophobicContact CG1-CB 4.46Å; I347-D389 PolarHBondContact N-OD2 3.14Å; D348-D389 WeakPolarHBondContact CB-OD1 3.21Å; D348-D389 PolarHBondContact N-OD1 3.37Å; D348-D389 CarbonylContact O-C 3.6Å; D389-A391 PolarHBondContact O-N 3.13Å; D389-A391 VanDerWaalsContact O-N 3.16Å; D389-D392 WeakPolarHBondContact O-CA 3.19Å; D389-D392 VanDerWaalsContact O-CB 3.26Å; D389-D392 WeakPolarHBondContact O-CB 3.47Å; D389-D392 PolarHBondContact O-N 3.24Å; D389-H458 IonicContact OD2-CE1 2.71Å; D389-H458 PolarHBondContact OD2-CE1 2.69Å; D389-H458 IonicContact OD2-NE2 2.75Å; D389-H458 PolarHBondContact OD2-NE2 3.08Å; D389-H458 VanDerWaalsContact OD2-NE2 3.12Å
390R97.2Very high95.9Very high89 Ų8957.3 Ų57.334%0.33628%0.278SS..G310 helixtrans-57.1-33.4179.7-175.9176.1-61.1-74.6-9.5111.9D348 P349 V350 D392 F393 I431D348-R390 HydrophobicContact CB-CB 4.31Å; D348-R390 VanDerWaalsContact O-CB 3.28Å; D348-R390 WeakPolarHBondContact O-CB 3.44Å; D348-R390 PolarHBondContact O-N 3.1Å; D348-R390 IonicContact OD1-NE 2.69Å; D348-R390 PolarHBondContact OD1-NE 3.47Å; P349-R390 PolarHBondContact O-NH2 3.27Å; V350-R390 HydrophobicContact CB-CB 4.4Å; V350-R390 HydrophobicContact CG1-CB 4.37Å; R390-D392 PolarHBondContact O-N 3.49Å; R390-F393 PolarHBondContact O-N 3.3Å; R390-I431 PolarHBondContact NH1-O 2.84Å
391A95.8Very high95.6Very high57 Ų5758.3 Ų58.347%0.47128%0.281SS..G310 helixtrans-65.8-14175.300000113.9D389 Y401 R403D389-A391 PolarHBondContact O-N 3.13Å; D389-A391 VanDerWaalsContact O-N 3.16Å; A391-Y401 PolarHBondContact O-OH 3.26Å; A391-R403 PolarHBondContact O-NH1 3.13Å
392D97.2Very high95.5Very high1 Ų164.3 Ų64.31%0.00531%0.306CS..G310 helixtrans-89.1-0.9179.6-69.7-23.6000115.3D389 R390 Y401 R403 L404 I457 R521D389-D392 WeakPolarHBondContact O-CA 3.19Å; D389-D392 VanDerWaalsContact O-CB 3.26Å; D389-D392 WeakPolarHBondContact O-CB 3.47Å; D389-D392 PolarHBondContact O-N 3.24Å; R390-D392 PolarHBondContact O-N 3.49Å; D392-Y401 WeakPolarHBondContact CA-OH 3.33Å; D392-Y401 PolarHBondContact O-OH 3.24Å; D392-R403 HydrophobicContact CB-CB 4.47Å; D392-R403 WeakPolarHBondContact O-CB 3.47Å; D392-R403 WeakPolarHBondContact OD1-CD 3.26Å; D392-R403 IonicContact OD1-NH1 3.97Å; D392-R403 PolarHBondContact OD1-NH1 3.15Å; D392-L404 VanDerWaalsContact O-CB 3.31Å; D392-L404 WeakPolarHBondContact O-CB 3.21Å; D392-L404 PolarHBondContact O-N 3.11Å; D392-I457 HydrophobicContact CB-CB 4.4Å; D392-I457 HydrophobicContact CB-CD1 4.32Å; D392-I457 HydrophobicContact CB-CG2 3.97Å; D392-R521 VanDerWaalsContact CG-NH1 3.27Å; D392-R521 IonicContact OD1-CZ 2.65Å; D392-R521 IonicContact OD1-NH1 3.47Å; D392-R521 PolarHBondContact OD1-NH1 3.03Å; D392-R521 IonicContact OD1-NH2 2.95Å; D392-R521 PolarHBondContact OD1-NH2 3.22Å; D392-R521 IonicContact OD2-CZ 2.97Å; D392-R521 IonicContact OD2-NH1 3.69Å; D392-R521 PolarHBondContact OD2-NH1 3.3Å; D392-R521 IonicContact OD2-NH2 2.84Å
393F97.9Very high95.4Very high12 Ų1268.3 Ų68.35%0.05332%0.322CS..EExtended strand (participates in β ladder)trans-122.9140.5173.1179.6-99.3000112.5I388 R390 E395 Y401 L404 L406 A420 V423 I431 I434I388-F393 HydrophobicContact CD1-CB 4.45Å; R390-F393 PolarHBondContact O-N 3.3Å; F393-E395 HydrophobicContact CE1-CG 4.06Å; F393-E395 HydrophobicContact CZ-CG 4.32Å; F393-Y401 PolarHBondContact N-OH 2.97Å; F393-L404 WeakPolarHBondContact CA-O 3.45Å; F393-L404 HydrophobicContact CD2-CB 4.17Å; F393-L404 HydrophobicContact CD2-CD2 3.93Å; F393-L404 HydrophobicContact CD2-CG 3.83Å; F393-L404 HydrophobicContact CE2-CG 4.39Å; F393-L406 HydrophobicContact CZ-CB 4.27Å; F393-A420 HydrophobicContact CE2-CB 3.91Å; F393-V423 HydrophobicContact CE1-CG1 3.56Å; F393-V423 HydrophobicContact CE2-CG1 4.29Å; F393-V423 HydrophobicContact CZ-CG1 3.32Å; F393-I431 HydrophobicContact CD1-CD1 3.81Å; F393-I431 HydrophobicContact CE1-CD1 3.63Å; F393-I431 HydrophobicContact CE1-CG2 4.49Å; F393-I434 HydrophobicContact CB-CD1 3.49Å; F393-I434 VanDerWaalsContact CB-CD1 3.49Å; F393-I434 HydrophobicContact CD1-CD1 3.78Å; F393-I434 HydrophobicContact CD1-CG1 4.06Å; F393-I434 HydrophobicContact CD2-CD1 3.78Å; F393-I434 HydrophobicContact CD2-CG1 4.2Å; F393-I434 HydrophobicContact CD2-CG2 4.15Å; F393-I434 HydrophobicContact CE1-CG1 4.31Å; F393-I434 HydrophobicContact CE2-CD1 4.5Å; F393-I434 HydrophobicContact CE2-CG1 4.44Å; F393-I434 HydrophobicContact CE2-CG2 4.04Å; F393-I434 HydrophobicContact CG-CD1 3.37Å; F393-I434 HydrophobicContact CG-CG1 4.01Å; F393-I434 HydrophobicContact CZ-CG1 4.49Å
394R96.3Very high95.5Very high123 Ų12367.7 Ų67.746%0.46432%0.317SS..EExtended strand (participates in β ladder)trans-142.2144.4166.9-66.8-175.9177.7-171.3-2.9110.5E396 A397 Y401 L404 V405 L406R394-E396 VanDerWaalsContact C-N 3.34Å; R394-A397 HydrophobicContact CB-CB 4.31Å; R394-Y401 HydrophobicContact CB-CE1 4.29Å; R394-Y401 HydrophobicContact CG-CE1 4.13Å; R394-Y401 HydrophobicContact CG-CE2 4.17Å; R394-L404 PolarHBondContact N-O 3.37Å; R394-L404 VanDerWaalsContact N-O 3.08Å; R394-V405 WeakPolarHBondContact O-CA 3.5Å; R394-L406 PolarHBondContact O-N 2.9Å
395E96.5Very high95.5Very high74 Ų7467.2 Ų67.235%0.34631%0.311SS..SBendtrans-66.5-41.6171.2-68.3177.298.600110.8F393 V405 K425 I431F393-E395 HydrophobicContact CE1-CG 4.06Å; F393-E395 HydrophobicContact CZ-CG 4.32Å; E395-V405 WeakPolarHBondContact O-CG1 3.28Å; E395-K425 VanDerWaalsContact OE1-CE 3.24Å; E395-K425 WeakPolarHBondContact OE1-CE 3.41Å; E395-K425 IonicContact OE1-NZ 3.9Å; E395-K425 PolarHBondContact OE1-NZ 3.47Å; E395-K425 WeakPolarHBondContact OE2-CE 3.35Å; E395-K425 IonicContact OE2-NZ 2.85Å; E395-K425 PolarHBondContact OE2-NZ 2.93Å; E395-I431 HydrophobicContact CG-CD1 4.39Å
396E95.2Very high95.5Very high174 Ų17465.9 Ų65.981%0.81331%0.306SS*.SBendtrans-133.6140.1177-62.9-172.9174.500111.1R394R394-E396 VanDerWaalsContact C-N 3.34Å
397A92.9Very high95.4Very high27 Ų2767.9 Ų67.922%0.22333%0.328CS..  trans-154.2153.117700000112.5R394 Y401 V405R394-A397 HydrophobicContact CB-CB 4.31Å; A397-Y401 HydrophobicContact CB-CD1 3.61Å; A397-Y401 HydrophobicContact CB-CE1 4.42Å; A397-Y401 HydrophobicContact CB-CG 3.67Å; A397-V405 HydrophobicContact CB-CG2 3.84Å
398N92.8Very high95.3Very high96 Ų9670.4 Ų70.451%0.51334%0.34SS..  trans-68.2172.5174.871.523.3000112Q400 Y401N398-Q400 PolarHBondContact O-N 3.47Å; N398-Q400 WeakPolarHBondContact OD1-CA 3.3Å; N398-Q400 WeakPolarHBondContact OD1-CB 3.34Å; N398-Q400 PolarHBondContact OD1-N 2.66Å; N398-Y401 PolarHBondContact O-N 3.25Å; N398-Y401 PolarHBondContact OD1-N 2.93Å; N398-Y401 VanDerWaalsContact OD1-N 3.12Å
399K87.1Confident95.1Very high197 Ų19773 Ų7386%0.85735%0.352SS*.THydrogen-bonded Turntrans-65.7-16.1-179.4-67.4-178.6-179.6176.30114.4
400Q90.2Very high95.1Very high164 Ų16472.6 Ų72.677%0.76635%0.35SS*.THydrogen-bonded Turntrans-82.3-21.8179.2-62.9178.7-14.800112.3N398 K402N398-Q400 PolarHBondContact O-N 3.47Å; N398-Q400 WeakPolarHBondContact OD1-CA 3.3Å; N398-Q400 WeakPolarHBondContact OD1-CB 3.34Å; N398-Q400 PolarHBondContact OD1-N 2.66Å; Q400-K402 PolarHBondContact O-N 3.39Å
401Y92.5Very high95.1Very high21 Ų2169.8 Ų69.88%0.08234%0.339CS..  trans-73.9115.3174.4-168.4-98.8000110.1A391 D392 F393 R394 A397 N398 R403 V405A391-Y401 PolarHBondContact O-OH 3.26Å; D392-Y401 WeakPolarHBondContact CA-OH 3.33Å; D392-Y401 PolarHBondContact O-OH 3.24Å; F393-Y401 PolarHBondContact N-OH 2.97Å; R394-Y401 HydrophobicContact CB-CE1 4.29Å; R394-Y401 HydrophobicContact CG-CE1 4.13Å; R394-Y401 HydrophobicContact CG-CE2 4.17Å; A397-Y401 HydrophobicContact CB-CD1 3.61Å; A397-Y401 HydrophobicContact CB-CE1 4.42Å; A397-Y401 HydrophobicContact CB-CG 3.67Å; N398-Y401 PolarHBondContact O-N 3.25Å; N398-Y401 PolarHBondContact OD1-N 2.93Å; N398-Y401 VanDerWaalsContact OD1-N 3.12Å; Y401-R403 HydrophobicContact CD1-CB 4.25Å; Y401-R403 HydrophobicContact CE1-CB 3.57Å; Y401-R403 HydrophobicContact CE1-CG 4.41Å; Y401-R403 HydrophobicContact CE2-CB 4.37Å; Y401-R403 HydrophobicContact CE2-CG 4.44Å; Y401-R403 VanDerWaalsContact CE2-NE 3.27Å; Y401-V405 HydrophobicContact CD1-CG2 3.61Å; Y401-V405 HydrophobicContact CE1-CG2 3.9Å
402K94Very high95.1Very high134 Ų13467 Ų6758%0.58332%0.317SS*.  trans-100.88-173.3-63.4-174.9-179.2-177.30114.2Q400 G455Q400-K402 PolarHBondContact O-N 3.39Å; K402-G455 WeakPolarHBondContact O-CA 3.33Å; K402-G455 PolarHBondContact O-N 3.41Å
403R95.5Very high95.1Very high84 Ų8471.1 Ų71.132%0.31733%0.332SS..SBendtrans-104.3-165.8-173.7-48.5167.1-116.2-172.2-2.5109.9A391 D392 Y401 V405 I457A391-R403 PolarHBondContact O-NH1 3.13Å; D392-R403 HydrophobicContact CB-CB 4.47Å; D392-R403 WeakPolarHBondContact O-CB 3.47Å; D392-R403 WeakPolarHBondContact OD1-CD 3.26Å; D392-R403 IonicContact OD1-NH1 3.97Å; D392-R403 PolarHBondContact OD1-NH1 3.15Å; Y401-R403 HydrophobicContact CD1-CB 4.25Å; Y401-R403 HydrophobicContact CE1-CB 3.57Å; Y401-R403 HydrophobicContact CE1-CG 4.41Å; Y401-R403 HydrophobicContact CE2-CB 4.37Å; Y401-R403 HydrophobicContact CE2-CG 4.44Å; Y401-R403 VanDerWaalsContact CE2-NE 3.27Å; R403-V405 PolarHBondContact O-N 3.11Å; R403-I457 HydrophobicContact CB-CG2 4.05Å; R403-I457 HydrophobicContact CG-CG2 4.2Å
404L97.3Very high94.9Very high0 Ų073 Ų730%034%0.343CS..EExtended strand (participates in β ladder)trans-70.1129.5-173.4-168.157.5000111L352 I388 D392 F393 R394 K408 V410 I418 A420 I434L352-L404 HydrophobicContact CD1-CD2 3.85Å; I388-L404 HydrophobicContact CD1-CD2 4.36Å; D392-L404 VanDerWaalsContact O-CB 3.31Å; D392-L404 WeakPolarHBondContact O-CB 3.21Å; D392-L404 PolarHBondContact O-N 3.11Å; F393-L404 WeakPolarHBondContact CA-O 3.45Å; F393-L404 HydrophobicContact CD2-CB 4.17Å; F393-L404 HydrophobicContact CD2-CD2 3.93Å; F393-L404 HydrophobicContact CD2-CG 3.83Å; F393-L404 HydrophobicContact CE2-CG 4.39Å; R394-L404 PolarHBondContact N-O 3.37Å; R394-L404 VanDerWaalsContact N-O 3.08Å; L404-K408 WeakPolarHBondContact CD1-O 3.48Å; L404-V410 HydrophobicContact CB-CB 4.31Å; L404-V410 HydrophobicContact CB-CG1 4.02Å; L404-V410 HydrophobicContact CD1-CB 4.13Å; L404-V410 HydrophobicContact CD1-CG1 3.8Å; L404-V410 HydrophobicContact CG-CG1 4.34Å; L404-I418 HydrophobicContact CD2-CD1 4.24Å; L404-A420 HydrophobicContact CD1-CB 3.8Å; L404-A420 HydrophobicContact CD2-CB 4.11Å; L404-A420 HydrophobicContact CG-CB 3.88Å; L404-I434 HydrophobicContact CD2-CG2 4.27Å
405V97Very high94.8Very high6 Ų667.1 Ų67.14%0.03632%0.321CS..EExtended strand (participates in β ladder)trans-128.2144.4174-179.10000108R394 E395 A397 Y401 R403 G407 K408R394-V405 WeakPolarHBondContact O-CA 3.5Å; E395-V405 WeakPolarHBondContact O-CG1 3.28Å; A397-V405 HydrophobicContact CB-CG2 3.84Å; Y401-V405 HydrophobicContact CD1-CG2 3.61Å; Y401-V405 HydrophobicContact CE1-CG2 3.9Å; R403-V405 PolarHBondContact O-N 3.11Å; V405-G407 PolarHBondContact O-N 2.86Å; V405-K408 HydrophobicContact CB-CB 4.18Å; V405-K408 HydrophobicContact CB-CD 4.01Å; V405-K408 HydrophobicContact CB-CG 4.23Å; V405-K408 HydrophobicContact CG1-CD 4.29Å; V405-K408 WeakPolarHBondContact O-CA 3.23Å; V405-K408 WeakPolarHBondContact O-CB 3.4Å; V405-K408 PolarHBondContact O-N 2.88Å
406L97.4Very high94.8Very high60 Ų6064.4 Ų64.431%0.31431%0.307SS..BIsolated β-bridgetrans-51.3129.7175.5-171.363.4000110.8F393 R394 K408 A420F393-L406 HydrophobicContact CZ-CB 4.27Å; R394-L406 PolarHBondContact O-N 2.9Å; L406-K408 VanDerWaalsContact C-N 3.29Å; L406-K408 PolarHBondContact O-N 3.5Å; L406-A420 HydrophobicContact CD1-CB 4.44Å
407G96Very high94.9Very high43 Ų4356.1 Ų56.144%0.44327%0.269SS..THydrogen-bonded Turntrans76.91.6-175.800000115.7V405 K419 A420V405-G407 PolarHBondContact O-N 2.86Å; G407-K419 WeakPolarHBondContact O-CE 3.39Å; G407-A420 VanDerWaalsContact CA-O 3.26Å; G407-A420 WeakPolarHBondContact CA-O 3.22Å; G407-A420 PolarHBondContact N-O 2.68Å
408K95.5Very high95.1Very high107 Ų10754.9 Ų54.947%0.46526%0.258SS..  trans-120.4165.7-178.5-58.2-171.3-170.4154.60112.6L404 V405 L406 K419 A420L404-K408 WeakPolarHBondContact CD1-O 3.48Å; V405-K408 HydrophobicContact CB-CB 4.18Å; V405-K408 HydrophobicContact CB-CD 4.01Å; V405-K408 HydrophobicContact CB-CG 4.23Å; V405-K408 HydrophobicContact CG1-CD 4.29Å; V405-K408 WeakPolarHBondContact O-CA 3.23Å; V405-K408 WeakPolarHBondContact O-CB 3.4Å; V405-K408 PolarHBondContact O-N 2.88Å; L406-K408 VanDerWaalsContact C-N 3.29Å; L406-K408 PolarHBondContact O-N 3.5Å; K408-K419 WeakPolarHBondContact O-CA 3.38Å; K408-A420 PolarHBondContact O-N 2.76Å
409E95.7Very high95.3Very high56 Ų5653.4 Ų53.426%0.26225%0.247SC..EExtended strand (participates in β ladder)trans-98.5149.4-177.6-65.9-178.1136.500113.8V417 I418 K419 R451E409-V417 HydrophobicContact CB-CG1 3.94Å; E409-V417 HydrophobicContact CG-CG1 4.21Å; E409-I418 CarbonylContact C-O 3.52Å; E409-I418 WeakPolarHBondContact CA-O 3.34Å; E409-K419 HydrophobicContact CG-CB 3.94Å; E409-K419 HydrophobicContact CG-CG 4.18Å; E409-R451 VanDerWaalsContact CD-NE 3.3Å; E409-R451 IonicContact OE1-CZ 3.71Å; E409-R451 VanDerWaalsContact OE1-CZ 3.27Å; E409-R451 IonicContact OE1-NE 3.84Å; E409-R451 PolarHBondContact OE1-NE 3.44Å; E409-R451 IonicContact OE1-NH2 3Å; E409-R451 PolarHBondContact OE1-NH2 3.31Å; E409-R451 WeakPolarHBondContact OE2-CD 3.36Å; E409-R451 IonicContact OE2-CZ 3.07Å; E409-R451 IonicContact OE2-NE 2.69Å; E409-R451 PolarHBondContact OE2-NE 3.22Å
410V96.8Very high95.8Very high0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-140.6154.3167.481.40000109.7L404 V417 I418 G455 I457L404-V410 HydrophobicContact CB-CB 4.31Å; L404-V410 HydrophobicContact CB-CG1 4.02Å; L404-V410 HydrophobicContact CD1-CB 4.13Å; L404-V410 HydrophobicContact CD1-CG1 3.8Å; L404-V410 HydrophobicContact CG-CG1 4.34Å; V410-V417 WeakPolarHBondContact O-CA 3.19Å; V410-I418 HydrophobicContact CG1-CD1 4.1Å; V410-I418 HydrophobicContact CG1-CG1 3.72Å; V410-I418 PolarHBondContact N-O 2.86Å; V410-I418 PolarHBondContact O-N 2.84Å; V410-G455 WeakPolarHBondContact CG2-O 3.48Å; V410-I457 HydrophobicContact CG1-CD1 3.75Å; V410-I457 HydrophobicContact CG1-CG1 3.97Å; V410-I457 HydrophobicContact CG2-CG1 4.23Å; V410-I457 HydrophobicContact CG2-CG2 3.85Å
411R97Very high96.2Very high29 Ų2939.7 Ų39.711%0.10919%0.186CC..EExtended strand (participates in β ladder)trans-90.8133.4171.5177.7174.7-64.8-79.29110.2A415 V417 T442 K445 D446 V453 G455 V456 I457R411-A415 PolarHBondContact NH1-O 3.03Å; R411-V417 HydrophobicContact CB-CG2 4.39Å; R411-T442 PolarHBondContact NH1-O 3.27Å; R411-K445 PolarHBondContact NH1-O 2.82Å; R411-K445 PolarHBondContact NH2-O 2.93Å; R411-D446 IonicContact CZ-OD1 3.68Å; R411-D446 IonicContact NH2-OD1 3.37Å; R411-D446 PolarHBondContact NH2-OD1 2.73Å; R411-V453 HydrophobicContact CB-CG1 4.06Å; R411-G455 PolarHBondContact N-O 2.86Å; R411-V456 HydrophobicContact CB-CG2 4.16Å; R411-V456 HydrophobicContact CG-CG1 4.39Å; R411-V456 HydrophobicContact CG-CG2 4.39Å; R411-V456 CarbonylContact O-C 3.52Å; R411-V456 VanDerWaalsContact O-CA 3.24Å; R411-V456 WeakPolarHBondContact O-CA 3.47Å; R411-I457 PolarHBondContact O-N 2.9Å
412L97Very high96.5Very high0 Ų044.1 Ų44.10%020%0.203CC..EExtended strand (participates in β ladder)trans-78.5130.3164.2-64.6-176.6000108.7F382 I386 N414 A415 Y416 I418 I457 W459F382-L412 HydrophobicContact CE2-CD1 3.77Å; F382-L412 HydrophobicContact CZ-CD1 4.42Å; I386-L412 HydrophobicContact CD1-CD1 3.55Å; I386-L412 HydrophobicContact CD1-CD2 3.99Å; I386-L412 HydrophobicContact CD1-CG 4.44Å; L412-N414 PolarHBondContact O-N 2.96Å; L412-N414 VanDerWaalsContact O-N 3.13Å; L412-A415 HydrophobicContact CB-CB 3.97Å; L412-A415 PolarHBondContact O-N 3.35Å; L412-Y416 WeakPolarHBondContact CB-O 3.39Å; L412-Y416 PolarHBondContact N-O 3.48Å; L412-I418 HydrophobicContact CD1-CD1 4.25Å; L412-I418 HydrophobicContact CD1-CG2 3.82Å; L412-I418 HydrophobicContact CD2-CD1 3.81Å; L412-I418 HydrophobicContact CD2-CG1 4.39Å; L412-I418 HydrophobicContact CG-CD1 4.05Å; L412-I418 HydrophobicContact CG-CG1 4.24Å; L412-I418 HydrophobicContact CG-CG2 4.15Å; L412-I457 HydrophobicContact CD2-CD1 4.03Å; L412-I457 HydrophobicContact CD2-CG1 3.86Å; L412-W459 HydrophobicContact CB-CG 4.23Å; L412-W459 HydrophobicContact CD1-CG 4.49Å; L412-W459 HydrophobicContact CD2-CB 4.14Å; L412-W459 HydrophobicContact CD2-CG 4.12Å
413R96.2Very high96.6Very high86 Ų8639.3 Ų39.333%0.32519%0.185SC..THydrogen-bonded Turntrans-48.1121.1-176.8-175.466162177.3-3.3110.8M344 M366 A415 V456 I457 W459 E520M344-R413 HydrophobicContact SD-CB 3.95Å; M344-R413 HydrophobicContact SD-CG 4.21Å; M366-R413 WeakPolarHBondContact CE-O 3.39Å; R413-A415 PolarHBondContact O-N 3.3Å; R413-V456 HydrophobicContact CB-CG1 4.03Å; R413-I457 WeakPolarHBondContact CB-O 3.16Å; R413-I457 PolarHBondContact N-O 2.98Å; R413-W459 PolarHBondContact O-NE1 2.93Å; R413-E520 IonicContact CZ-OE1 3.24Å; R413-E520 VanDerWaalsContact CZ-OE1 3.27Å; R413-E520 IonicContact CZ-OE2 3.96Å; R413-E520 IonicContact NE-OE1 3.03Å; R413-E520 PolarHBondContact NE-OE1 3.29Å; R413-E520 IonicContact NE-OE2 3.15Å; R413-E520 IonicContact NH2-OE1 2.67Å; R413-E520 PolarHBondContact NH2-OE1 2.67Å; R413-E520 IonicContact NH2-OE2 3.55Å; R413-E520 PolarHBondContact NH2-OE2 2.94Å
414N94.4Very high96.8Very high52 Ų5240 Ų4028%0.27819%0.192SC..THydrogen-bonded Turntrans55.75.1-176.4-61.2-27.5000116.6V364 M366 L412 S444V364-N414 HydrophobicContact CG1-CB 4.22Å; V364-N414 WeakPolarHBondContact CG1-O 3.3Å; M366-N414 HydrophobicContact CE-CB 3.87Å; M366-N414 HydrophobicContact CG-CB 3.94Å; M366-N414 WeakPolarHBondContact CG-ND2 3.37Å; M366-N414 HydrophobicContact SD-CB 3.94Å; M366-N414 PolarHBondContact SD-ND2 2.9Å; L412-N414 PolarHBondContact O-N 2.96Å; L412-N414 VanDerWaalsContact O-N 3.13Å; N414-S444 PolarHBondContact O-OG 3.04Å
415A94.9Very high96.8Very high0 Ų044.2 Ų44.20%021%0.21CC..SBendtrans-115.1-143.9-178.400000110.2F382 R411 L412 R413 S444 W459F382-A415 HydrophobicContact CD2-CB 4.29Å; F382-A415 HydrophobicContact CE2-CB 4.41Å; R411-A415 PolarHBondContact NH1-O 3.03Å; L412-A415 HydrophobicContact CB-CB 3.97Å; L412-A415 PolarHBondContact O-N 3.35Å; R413-A415 PolarHBondContact O-N 3.3Å; A415-S444 PolarHBondContact O-N 2.78Å; A415-W459 HydrophobicContact CB-CZ2 3.8Å
416Y96.1Very high96.7Very high16 Ų1646.9 Ų46.96%0.06322%0.224CC..  trans-81163.2-173.8-60.1-83.2000114.1E362 F382 L412 Y438 D439 L443E362-Y416 VanDerWaalsContact CD-OH 3.26Å; E362-Y416 WeakPolarHBondContact OE1-CE2 3.22Å; E362-Y416 PolarHBondContact OE1-OH 3.29Å; E362-Y416 PolarHBondContact OE2-OH 2.66Å; F382-Y416 HydrophobicContact CD1-CD2 4.12Å; F382-Y416 AromaticContact CD1-CE2 3.78Å; F382-Y416 HydrophobicContact CD1-CE2 3.78Å; F382-Y416 AromaticContact CE1-CD2 3.51Å; F382-Y416 HydrophobicContact CE1-CD2 3.51Å; F382-Y416 AromaticContact CE1-CE2 3.48Å; F382-Y416 HydrophobicContact CE1-CE2 3.48Å; F382-Y416 VanDerWaalsContact CE1-CE2 3.48Å; F382-Y416 HydrophobicContact CE2-CD2 4.05Å; F382-Y416 HydrophobicContact CG-CE2 4.49Å; F382-Y416 AromaticContact CZ-CD2 3.48Å; F382-Y416 HydrophobicContact CZ-CD2 3.48Å; F382-Y416 VanDerWaalsContact CZ-CD2 3.48Å; F382-Y416 AromaticContact CZ-CE2 3.97Å; F382-Y416 HydrophobicContact CZ-CE2 3.97Å; L412-Y416 WeakPolarHBondContact CB-O 3.39Å; L412-Y416 PolarHBondContact N-O 3.48Å; Y416-Y438 AromaticContact CD1-CD2 3.46Å; Y416-Y438 HydrophobicContact CD1-CD2 3.46Å; Y416-Y438 VanDerWaalsContact CD1-CD2 3.46Å; Y416-Y438 AromaticContact CD1-CE2 3.71Å; Y416-Y438 HydrophobicContact CD1-CE2 3.71Å; Y416-Y438 AromaticContact CD2-CD2 3.98Å; Y416-Y438 HydrophobicContact CD2-CD2 3.98Å; Y416-Y438 HydrophobicContact CD2-CE2 4.36Å; Y416-Y438 AromaticContact CE1-CD2 3.83Å; Y416-Y438 HydrophobicContact CE1-CD2 3.83Å; Y416-Y438 AromaticContact CE1-CE2 3.54Å; Y416-Y438 HydrophobicContact CE1-CE2 3.54Å; Y416-Y438 HydrophobicContact CE2-CD2 4.34Å; Y416-Y438 HydrophobicContact CE2-CE2 4.25Å; Y416-Y438 AromaticContact CG-CD2 3.52Å; Y416-Y438 HydrophobicContact CG-CD2 3.52Å; Y416-Y438 HydrophobicContact CG-CE2 4.09Å; Y416-Y438 AromaticContact CZ-CE2 3.85Å; Y416-D439 WeakPolarHBondContact CD1-O 3.5Å; Y416-L443 HydrophobicContact CD1-CB 3.96Å; Y416-L443 HydrophobicContact CD2-CD1 4.29Å; Y416-L443 HydrophobicContact CE1-CB 3.5Å; Y416-L443 HydrophobicContact CE1-CD1 4.28Å; Y416-L443 HydrophobicContact CE1-CG 4.32Å; Y416-L443 HydrophobicContact CE2-CD1 3.9Å
417V96.9Very high96.7Very high1 Ų149.4 Ų49.41%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-85.4132.7161.41780000108.2E409 V410 R411 Y438 D439 T442 P447 V453E409-V417 HydrophobicContact CB-CG1 3.94Å; E409-V417 HydrophobicContact CG-CG1 4.21Å; V410-V417 WeakPolarHBondContact O-CA 3.19Å; R411-V417 HydrophobicContact CB-CG2 4.39Å; V417-Y438 WeakPolarHBondContact O-CA 3.48Å; V417-D439 PolarHBondContact O-N 3.03Å; V417-T442 HydrophobicContact CB-CG2 4.12Å; V417-T442 HydrophobicContact CG2-CG2 3.97Å; V417-T442 PolarHBondContact N-OG1 3.42Å; V417-P447 HydrophobicContact CG2-CG 4.39Å; V417-V453 HydrophobicContact CB-CG2 4.44Å; V417-V453 HydrophobicContact CG1-CG1 4.35Å; V417-V453 HydrophobicContact CG1-CG2 3.69Å; V417-V453 HydrophobicContact CG2-CG2 3.82Å
418I97.1Very high96.7Very high1 Ų155.1 Ų55.11%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-122.5153.5177.864170.2000110.7L352 I354 L404 E409 V410 L412 C436 T437L352-I418 HydrophobicContact CD1-CD1 3.58Å; L352-I418 HydrophobicContact CD2-CD1 4.09Å; L352-I418 HydrophobicContact CG-CD1 4.49Å; I354-I418 HydrophobicContact CD1-CG2 4.23Å; L404-I418 HydrophobicContact CD2-CD1 4.24Å; E409-I418 CarbonylContact C-O 3.52Å; E409-I418 WeakPolarHBondContact CA-O 3.34Å; V410-I418 HydrophobicContact CG1-CD1 4.1Å; V410-I418 HydrophobicContact CG1-CG1 3.72Å; V410-I418 PolarHBondContact N-O 2.86Å; V410-I418 PolarHBondContact O-N 2.84Å; L412-I418 HydrophobicContact CD1-CD1 4.25Å; L412-I418 HydrophobicContact CD1-CG2 3.82Å; L412-I418 HydrophobicContact CD2-CD1 3.81Å; L412-I418 HydrophobicContact CD2-CG1 4.39Å; L412-I418 HydrophobicContact CG-CD1 4.05Å; L412-I418 HydrophobicContact CG-CG1 4.24Å; L412-I418 HydrophobicContact CG-CG2 4.15Å; I418-C436 HydrophobicContact CB-CB 4.34Å; I418-T437 CarbonylContact C-O 3.57Å; I418-T437 WeakPolarHBondContact CA-O 3.48Å; I418-T437 WeakPolarHBondContact CB-O 3.49Å
419K97.3Very high96.6Very high65 Ų6552 Ų5228%0.28327%0.266SS..EExtended strand (participates in β ladder)trans-122.1129.6174.1-173.6-179.8161-125.60109.9G407 K408 E409 E421 C436 T437G407-K419 WeakPolarHBondContact O-CE 3.39Å; K408-K419 WeakPolarHBondContact O-CA 3.38Å; E409-K419 HydrophobicContact CG-CB 3.94Å; E409-K419 HydrophobicContact CG-CG 4.18Å; K419-E421 WeakPolarHBondContact CD-OE1 3.19Å; K419-E421 VanDerWaalsContact NZ-CD 3.31Å; K419-E421 IonicContact NZ-OE1 3.9Å; K419-E421 PolarHBondContact NZ-OE1 3.39Å; K419-E421 IonicContact NZ-OE2 2.84Å; K419-E421 PolarHBondContact NZ-OE2 3.04Å; K419-E421 PolarHBondContact O-N 3.13Å; K419-C436 CarbonylContact O-C 3.52Å; K419-C436 WeakPolarHBondContact O-CA 3.48Å; K419-C436 VanDerWaalsContact O-CB 3.22Å; K419-C436 WeakPolarHBondContact O-CB 3.31Å; K419-C436 PolarHBondContact O-SG 2.91Å; K419-T437 PolarHBondContact N-O 3.26Å; K419-T437 PolarHBondContact O-N 2.84Å
420A97.8Very high96.6Very high0 Ų053 Ų530%027%0.274CS..EExtended strand (participates in β ladder)trans-75.4122.5173.600000110.6F393 L404 L406 G407 K408 I434F393-A420 HydrophobicContact CE2-CB 3.91Å; L404-A420 HydrophobicContact CD1-CB 3.8Å; L404-A420 HydrophobicContact CD2-CB 4.11Å; L404-A420 HydrophobicContact CG-CB 3.88Å; L406-A420 HydrophobicContact CD1-CB 4.44Å; G407-A420 VanDerWaalsContact CA-O 3.26Å; G407-A420 WeakPolarHBondContact CA-O 3.22Å; G407-A420 PolarHBondContact N-O 2.68Å; K408-A420 PolarHBondContact O-N 2.76Å; A420-I434 HydrophobicContact CB-CG2 4.28Å
421E98Very high96.6Very high73 Ų7354.6 Ų54.634%0.34128%0.282SS..EExtended strand (participates in β ladder)trans-103.2-44.8-178.2-59.1-63.2174.400111.8K419 F435 T437K419-E421 WeakPolarHBondContact CD-OE1 3.19Å; K419-E421 VanDerWaalsContact NZ-CD 3.31Å; K419-E421 IonicContact NZ-OE1 3.9Å; K419-E421 PolarHBondContact NZ-OE1 3.39Å; K419-E421 IonicContact NZ-OE2 2.84Å; K419-E421 PolarHBondContact NZ-OE2 3.04Å; K419-E421 PolarHBondContact O-N 3.13Å; E421-F435 PolarHBondContact N-O 2.97Å; E421-T437 HydrophobicContact CG-CG2 3.89Å; E421-T437 PolarHBondContact OE1-OG1 3.42Å
422R97.7Very high96.6Very high113 Ų11355.6 Ų55.643%0.42629%0.291SS..EExtended strand (participates in β ladder)trans-152.4164.9-179.163.5-175.4-175.5840.4111.7E355 F435E355-R422 IonicContact OE1-CZ 3.41Å; E355-R422 VanDerWaalsContact OE1-CZ 3.24Å; E355-R422 IonicContact OE1-NE 2.77Å; E355-R422 PolarHBondContact OE1-NE 3.17Å; E355-R422 IonicContact OE1-NH2 2.72Å; E355-R422 PolarHBondContact OE1-NH2 2.89Å; E355-R422 IonicContact OE2-NE 2.88Å; R422-F435 HydrophobicContact CG-CB 3.6Å; R422-F435 HydrophobicContact CG-CD2 4.03Å; R422-F435 HydrophobicContact CG-CG 4.07Å; R422-F435 VanDerWaalsContact CZ-CG 3.41Å; R422-F435 PolarHBondContact N-O 3.17Å; R422-F435 VanDerWaalsContact NH2-CE1 3.28Å; R422-F435 PolarHBondContact O-N 3.23Å
423V98Very high96.6Very high34 Ų3456.4 Ų56.421%0.20630%0.296CS..EExtended strand (participates in β ladder)trans-127.9151.5176.8-67.10000110.6F393 I431 T433 I434F393-V423 HydrophobicContact CE1-CG1 3.56Å; F393-V423 HydrophobicContact CE2-CG1 4.29Å; F393-V423 HydrophobicContact CZ-CG1 3.32Å; V423-I431 HydrophobicContact CB-CG2 4.39Å; V423-I431 HydrophobicContact CG1-CG2 4.33Å; V423-T433 WeakPolarHBondContact CA-O 3.12Å; V423-I434 HydrophobicContact CG1-CG1 4.3Å
424E97.9Very high96.8Very high99 Ų9952.4 Ų52.446%0.46328%0.281SS..EExtended strand (participates in β ladder)trans-107.9143.4165-176.1175.2-14600108.9I431 T432 T433 F435E424-I431 WeakPolarHBondContact O-CA 3.33Å; E424-T432 PolarHBondContact O-N 2.63Å; E424-T432 PolarHBondContact O-OG1 2.93Å; E424-T433 PolarHBondContact N-O 3.35Å; E424-T433 PolarHBondContact OE2-OG1 2.84Å; E424-F435 HydrophobicContact CB-CE2 3.96Å
425K97.6Very high97Very high88 Ų8851.1 Ų51.138%0.38327%0.273SS..EExtended strand (participates in β ladder)trans-129.2149.4-179.7-62.1-179.3-179.1-176.30110E395 N430 I431E395-K425 VanDerWaalsContact OE1-CE 3.24Å; E395-K425 WeakPolarHBondContact OE1-CE 3.41Å; E395-K425 IonicContact OE1-NZ 3.9Å; E395-K425 PolarHBondContact OE1-NZ 3.47Å; E395-K425 WeakPolarHBondContact OE2-CE 3.35Å; E395-K425 IonicContact OE2-NZ 2.85Å; E395-K425 PolarHBondContact OE2-NZ 2.93Å; K425-N430 CarbonylContact C-O 3.25Å; K425-N430 WeakPolarHBondContact CA-O 3.38Å; K425-I431 HydrophobicContact CG-CG1 4.2Å
426D96.3Very high97.1Very high61 Ų6151.1 Ų51.133%0.32627%0.273SS..  trans-76.8-177.7168.865.520.7000111.9E428 G429 N430 T432D426-E428 PolarHBondContact O-N 2.88Å; D426-E428 WeakPolarHBondContact OD1-CA 3.42Å; D426-E428 WeakPolarHBondContact OD1-CB 3.44Å; D426-E428 PolarHBondContact OD1-N 3.02Å; D426-G429 PolarHBondContact O-N 3.46Å; D426-G429 VanDerWaalsContact O-N 3.13Å; D426-G429 PolarHBondContact OD1-N 2.85Å; D426-N430 PolarHBondContact N-O 2.77Å; D426-N430 PolarHBondContact OD1-N 3.15Å; D426-N430 PolarHBondContact OD1-ND2 2.88Å; D426-N430 VanDerWaalsContact OD2-CB 3.32Å; D426-N430 WeakPolarHBondContact OD2-CB 3.32Å; D426-N430 PolarHBondContact OD2-ND2 3.32Å; D426-T432 HydrophobicContact CB-CG2 3.93Å
427A96.6Very high97.2Very high113 Ų11352.3 Ų52.393%0.93428%0.282SS*.THydrogen-bonded Turntrans-64.6-19.8179.800000113.9
428E95.2Very high97.2Very high164 Ų16454 Ų5477%0.76629%0.289SS*.THydrogen-bonded Turntrans-93.8-4.1179.9-68.1154.7-16200111.7D426 N430D426-E428 PolarHBondContact O-N 2.88Å; D426-E428 WeakPolarHBondContact OD1-CA 3.42Å; D426-E428 WeakPolarHBondContact OD1-CB 3.44Å; D426-E428 PolarHBondContact OD1-N 3.02Å; E428-N430 PolarHBondContact OE2-ND2 3.22Å
429G94.3Very high97.1Very high40 Ų4055.8 Ų55.841%0.41230%0.298SS..  trans86.67.8-179.900000114D426D426-G429 PolarHBondContact O-N 3.46Å; D426-G429 VanDerWaalsContact O-N 3.13Å; D426-G429 PolarHBondContact OD1-N 2.85Å
430N95.1Very high96.8Very high79 Ų7955.2 Ų55.242%0.42231%0.305SS..  trans-75.1136.3176-47.6-62.1000109.8K425 D426 E428 T432K425-N430 CarbonylContact C-O 3.25Å; K425-N430 WeakPolarHBondContact CA-O 3.38Å; D426-N430 PolarHBondContact N-O 2.77Å; D426-N430 PolarHBondContact OD1-N 3.15Å; D426-N430 PolarHBondContact OD1-ND2 2.88Å; D426-N430 VanDerWaalsContact OD2-CB 3.32Å; D426-N430 WeakPolarHBondContact OD2-CB 3.32Å; D426-N430 PolarHBondContact OD2-ND2 3.32Å; E428-N430 PolarHBondContact OE2-ND2 3.22Å; N430-T432 PolarHBondContact O-N 2.94Å
431I96.7Very high96.6Very high32 Ų3260 Ų6016%0.16433%0.331CS..EExtended strand (participates in β ladder)trans-71.2118.8177.8-64.2151.6000109.4V350 R390 F393 E395 V423 E424 K425 I434V350-I431 HydrophobicContact CG2-CG2 4.18Å; R390-I431 PolarHBondContact NH1-O 2.84Å; F393-I431 HydrophobicContact CD1-CD1 3.81Å; F393-I431 HydrophobicContact CE1-CD1 3.63Å; F393-I431 HydrophobicContact CE1-CG2 4.49Å; E395-I431 HydrophobicContact CG-CD1 4.39Å; V423-I431 HydrophobicContact CB-CG2 4.39Å; V423-I431 HydrophobicContact CG1-CG2 4.33Å; E424-I431 WeakPolarHBondContact O-CA 3.33Å; K425-I431 HydrophobicContact CG-CG1 4.2Å; I431-I434 HydrophobicContact CG2-CG1 3.9Å
432T97.1Very high96.4Very high51 Ų5156.6 Ų56.631%0.31332%0.315SS..EExtended strand (participates in β ladder)trans-96.4-42.6-179.852.10000111.5E424 D426 N430E424-T432 PolarHBondContact O-N 2.63Å; E424-T432 PolarHBondContact O-OG1 2.93Å; D426-T432 HydrophobicContact CB-CG2 3.93Å; N430-T432 PolarHBondContact O-N 2.94Å
433T98.4Very high96.1Very high17 Ų1753.8 Ų53.810%0.10431%0.308CS..EExtended strand (participates in β ladder)trans-138.4135.9-177-46.20000110.9K351 V353 V423 E424 F435K351-T433 HydrophobicContact CB-CG2 4.35Å; K351-T433 HydrophobicContact CG-CG2 4.45Å; K351-T433 WeakPolarHBondContact O-CA 3.29Å; V353-T433 HydrophobicContact CG2-CG2 3.82Å; V423-T433 WeakPolarHBondContact CA-O 3.12Å; E424-T433 PolarHBondContact N-O 3.35Å; E424-T433 PolarHBondContact OE2-OG1 2.84Å; T433-F435 HydrophobicContact CG2-CD2 4.17Å; T433-F435 HydrophobicContact CG2-CE1 4.13Å; T433-F435 HydrophobicContact CG2-CE2 3.63Å; T433-F435 HydrophobicContact CG2-CZ 3.61Å
434I98.6Very high95.4Very high1 Ų156 Ų561%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-106.9128.4171-57.5156.5000107.7V350 K351 L352 V353 I388 F393 L404 A420 V423 I431V350-I434 HydrophobicContact CG1-CD1 3.79Å; V350-I434 HydrophobicContact CG2-CD1 4.05Å; V350-I434 HydrophobicContact CG2-CG1 4.35Å; K351-I434 PolarHBondContact O-N 3.33Å; L352-I434 CarbonylContact C-O 3.46Å; L352-I434 VanDerWaalsContact CA-O 3.26Å; L352-I434 WeakPolarHBondContact CA-O 3.28Å; L352-I434 HydrophobicContact CD1-CG2 4.42Å; L352-I434 HydrophobicContact CG-CB 4.33Å; L352-I434 HydrophobicContact CG-CG2 4.45Å; V353-I434 PolarHBondContact N-O 3.33Å; I388-I434 HydrophobicContact CD1-CD1 4Å; F393-I434 HydrophobicContact CB-CD1 3.49Å; F393-I434 VanDerWaalsContact CB-CD1 3.49Å; F393-I434 HydrophobicContact CD1-CD1 3.78Å; F393-I434 HydrophobicContact CD1-CG1 4.06Å; F393-I434 HydrophobicContact CD2-CD1 3.78Å; F393-I434 HydrophobicContact CD2-CG1 4.2Å; F393-I434 HydrophobicContact CD2-CG2 4.15Å; F393-I434 HydrophobicContact CE1-CG1 4.31Å; F393-I434 HydrophobicContact CE2-CD1 4.5Å; F393-I434 HydrophobicContact CE2-CG1 4.44Å; F393-I434 HydrophobicContact CE2-CG2 4.04Å; F393-I434 HydrophobicContact CG-CD1 3.37Å; F393-I434 HydrophobicContact CG-CG1 4.01Å; F393-I434 HydrophobicContact CZ-CG1 4.49Å; L404-I434 HydrophobicContact CD2-CG2 4.27Å; A420-I434 HydrophobicContact CB-CG2 4.28Å; V423-I434 HydrophobicContact CG1-CG1 4.3Å; I431-I434 HydrophobicContact CG2-CG1 3.9Å
435F98.6Very high94.9Very high26 Ų2656.1 Ų56.111%0.11432%0.324CS..EExtended strand (participates in β ladder)trans-105.7129.4176.9-63.2-93000109.4V353 E355 E421 R422 E424 T433V353-F435 HydrophobicContact CB-CD1 3.86Å; V353-F435 HydrophobicContact CB-CE1 4.07Å; V353-F435 HydrophobicContact CG1-CD1 4.16Å; V353-F435 HydrophobicContact CG1-CE1 4.31Å; V353-F435 HydrophobicContact CG2-CE1 4.28Å; V353-F435 WeakPolarHBondContact O-CA 3.36Å; E355-F435 HydrophobicContact CG-CB 4.11Å; E355-F435 HydrophobicContact CG-CD1 3.98Å; E421-F435 PolarHBondContact N-O 2.97Å; R422-F435 HydrophobicContact CG-CB 3.6Å; R422-F435 HydrophobicContact CG-CD2 4.03Å; R422-F435 HydrophobicContact CG-CG 4.07Å; R422-F435 VanDerWaalsContact CZ-CG 3.41Å; R422-F435 PolarHBondContact N-O 3.17Å; R422-F435 VanDerWaalsContact NH2-CE1 3.28Å; R422-F435 PolarHBondContact O-N 3.23Å; E424-F435 HydrophobicContact CB-CE2 3.96Å; T433-F435 HydrophobicContact CG2-CD2 4.17Å; T433-F435 HydrophobicContact CG2-CE1 4.13Å; T433-F435 HydrophobicContact CG2-CE2 3.63Å; T433-F435 HydrophobicContact CG2-CZ 3.61Å
436C98Very high94.5Very high0 Ų058.1 Ų58.10%034%0.339CS..EExtended strand (participates in β ladder)trans-128.7158.6-173.4-71.80000111.8L352 V353 I354 E355 I418 K419L352-C436 HydrophobicContact CD2-CB 3.89Å; L352-C436 HydrophobicContact CG-CB 4.46Å; V353-C436 PolarHBondContact O-N 3.21Å; I354-C436 CarbonylContact C-O 3.59Å; I354-C436 WeakPolarHBondContact CA-O 3.46Å; E355-C436 PolarHBondContact N-O 3.08Å; I418-C436 HydrophobicContact CB-CB 4.34Å; K419-C436 CarbonylContact O-C 3.52Å; K419-C436 WeakPolarHBondContact O-CA 3.48Å; K419-C436 VanDerWaalsContact O-CB 3.22Å; K419-C436 WeakPolarHBondContact O-CB 3.31Å; K419-C436 PolarHBondContact O-SG 2.91Å
437T97.7Very high94.1Very high41 Ų4155.7 Ų55.725%0.25233%0.327SS..EExtended strand (participates in β ladder)trans-103.1153157.3540000110N356 I418 K419 E421N356-T437 WeakPolarHBondContact OD1-CA 3.34Å; N356-T437 WeakPolarHBondContact OD1-CB 3.48Å; I418-T437 CarbonylContact C-O 3.57Å; I418-T437 WeakPolarHBondContact CA-O 3.48Å; I418-T437 WeakPolarHBondContact CB-O 3.49Å; K419-T437 PolarHBondContact N-O 3.26Å; K419-T437 PolarHBondContact O-N 2.84Å; E421-T437 HydrophobicContact CG-CG2 3.89Å; E421-T437 PolarHBondContact OE1-OG1 3.42Å
438Y96.6Very high93.7Very high36 Ų3655.2 Ų55.214%0.14132%0.323CS..EExtended strand (participates in β ladder)trans-114.7154.7169.688-55.3000111.6I354 N356 Y357 Y416 V417 A440I354-Y438 HydrophobicContact CG2-CD1 3.7Å; I354-Y438 HydrophobicContact CG2-CG 3.92Å; N356-Y438 PolarHBondContact ND2-O 3.13Å; N356-Y438 WeakPolarHBondContact O-CE1 3.22Å; N356-Y438 WeakPolarHBondContact OD1-CD1 3.28Å; N356-Y438 PolarHBondContact OD1-N 2.8Å; Y357-Y438 HydrophobicContact CD2-CE1 4.2Å; Y357-Y438 HydrophobicContact CD2-CE2 4.19Å; Y416-Y438 AromaticContact CD1-CD2 3.46Å; Y416-Y438 HydrophobicContact CD1-CD2 3.46Å; Y416-Y438 VanDerWaalsContact CD1-CD2 3.46Å; Y416-Y438 AromaticContact CD1-CE2 3.71Å; Y416-Y438 HydrophobicContact CD1-CE2 3.71Å; Y416-Y438 AromaticContact CD2-CD2 3.98Å; Y416-Y438 HydrophobicContact CD2-CD2 3.98Å; Y416-Y438 HydrophobicContact CD2-CE2 4.36Å; Y416-Y438 AromaticContact CE1-CD2 3.83Å; Y416-Y438 HydrophobicContact CE1-CD2 3.83Å; Y416-Y438 AromaticContact CE1-CE2 3.54Å; Y416-Y438 HydrophobicContact CE1-CE2 3.54Å; Y416-Y438 HydrophobicContact CE2-CD2 4.34Å; Y416-Y438 HydrophobicContact CE2-CE2 4.25Å; Y416-Y438 AromaticContact CG-CD2 3.52Å; Y416-Y438 HydrophobicContact CG-CD2 3.52Å; Y416-Y438 HydrophobicContact CG-CE2 4.09Å; Y416-Y438 AromaticContact CZ-CE2 3.85Å; V417-Y438 WeakPolarHBondContact O-CA 3.48Å; Y438-A440 VanDerWaalsContact CE2-CA 3.49Å; Y438-A440 HydrophobicContact CE2-CB 3.89Å
439D94.9Very high93.4Very high38 Ų3852.4 Ų52.420%0.20331%0.313CS..EExtended strand (participates in β ladder)trans-95.4107.9169-174.4-22.3000109.7Y416 V417 D441 T442 R451Y416-D439 WeakPolarHBondContact CD1-O 3.5Å; V417-D439 PolarHBondContact O-N 3.03Å; D439-D441 PolarHBondContact O-N 3.28Å; D439-D441 VanDerWaalsContact O-N 3.12Å; D439-D441 WeakPolarHBondContact OD1-CB 3.36Å; D439-D441 PolarHBondContact OD1-N 3.34Å; D439-T442 HydrophobicContact CB-CG2 3.7Å; D439-T442 VanDerWaalsContact CG-CG2 3.44Å; D439-T442 PolarHBondContact O-N 2.84Å; D439-T442 VanDerWaalsContact O-N 3.11Å; D439-T442 PolarHBondContact O-OG1 3.37Å; D439-R451 IonicContact OD2-CZ 3.27Å; D439-R451 VanDerWaalsContact OD2-CZ 3.32Å; D439-R451 IonicContact OD2-NH1 3.99Å; D439-R451 PolarHBondContact OD2-NH1 3.06Å; D439-R451 VanDerWaalsContact OD2-NH1 3.08Å; D439-R451 IonicContact OD2-NH2 2.75Å; D439-R451 PolarHBondContact OD2-NH2 3.17Å
440A92.4Very high93.1Very high53 Ų5353.3 Ų53.344%0.43832%0.323SS..G310 helixtrans-58.9-23.7-178.500000113.4Y438 T442Y438-A440 VanDerWaalsContact CE2-CA 3.49Å; Y438-A440 HydrophobicContact CE2-CB 3.89Å; A440-T442 VanDerWaalsContact C-N 3.27Å; A440-T442 PolarHBondContact O-N 2.77Å
441D92.3Very high92.9Very high102 Ų10253.1 Ų53.155%0.54532%0.316SS..G310 helixtrans-87.110.7-179.3-78-47.2000113.7D439 K445D439-D441 PolarHBondContact O-N 3.28Å; D439-D441 VanDerWaalsContact O-N 3.12Å; D439-D441 WeakPolarHBondContact OD1-CB 3.36Å; D439-D441 PolarHBondContact OD1-N 3.34Å; D441-K445 VanDerWaalsContact C-CE 3.46Å; D441-K445 WeakPolarHBondContact O-CD 3.45Å; D441-K445 WeakPolarHBondContact O-CE 3.32Å; D441-K445 WeakPolarHBondContact O-CG 3.39Å; D441-K445 PolarHBondContact O-NZ 2.92Å; D441-K445 IonicContact OD1-NZ 3.87Å
442T94.8Very high92.4Very high0 Ų060.8 Ų60.80%035%0.348CS..G310 helixtrans-115.68.1-173.963.60000115.4R411 V417 D439 A440 S444 K445 P447R411-T442 PolarHBondContact NH1-O 3.27Å; V417-T442 HydrophobicContact CB-CG2 4.12Å; V417-T442 HydrophobicContact CG2-CG2 3.97Å; V417-T442 PolarHBondContact N-OG1 3.42Å; D439-T442 HydrophobicContact CB-CG2 3.7Å; D439-T442 VanDerWaalsContact CG-CG2 3.44Å; D439-T442 PolarHBondContact O-N 2.84Å; D439-T442 VanDerWaalsContact O-N 3.11Å; D439-T442 PolarHBondContact O-OG1 3.37Å; A440-T442 VanDerWaalsContact C-N 3.27Å; A440-T442 PolarHBondContact O-N 2.77Å; T442-S444 PolarHBondContact O-N 3.23Å; T442-K445 CarbonylContact C-O 3.44Å; T442-K445 PolarHBondContact O-N 3.17Å; T442-P447 HydrophobicContact CG2-CB 4.27Å; T442-P447 HydrophobicContact CG2-CG 3.98Å
443L92.1Very high92Very high54 Ų5460 Ų6028%0.28334%0.344SS..THydrogen-bonded Turntrans-55.6107.7175.6-177.556.9000110.8E362 V364 Y416 K445E362-L443 VanDerWaalsContact OE2-CD2 3.28Å; E362-L443 WeakPolarHBondContact OE2-CD2 3.22Å; V364-L443 HydrophobicContact CG2-CD1 4.42Å; Y416-L443 HydrophobicContact CD1-CB 3.96Å; Y416-L443 HydrophobicContact CD2-CD1 4.29Å; Y416-L443 HydrophobicContact CE1-CB 3.5Å; Y416-L443 HydrophobicContact CE1-CD1 4.28Å; Y416-L443 HydrophobicContact CE1-CG 4.32Å; Y416-L443 HydrophobicContact CE2-CD1 3.9Å; L443-K445 WeakPolarHBondContact O-CG 3.42Å; L443-K445 PolarHBondContact O-N 2.96Å
444S82.3Confident91.4Very high80 Ų8066 Ų6656%0.55937%0.368SS*.THydrogen-bonded Turntrans5416.4-178.4-42.10000115N414 A415 T442N414-S444 PolarHBondContact O-OG 3.04Å; A415-S444 PolarHBondContact O-N 2.78Å; T442-S444 PolarHBondContact O-N 3.23Å
445K88.2Confident91.2Very high103 Ų10366.7 Ų66.745%0.44838%0.375SS..SBendtrans-134.5154.9-179.261.7-178.3152.2133.10111.4R411 D441 T442 L443R411-K445 PolarHBondContact NH1-O 2.82Å; R411-K445 PolarHBondContact NH2-O 2.93Å; D441-K445 VanDerWaalsContact C-CE 3.46Å; D441-K445 WeakPolarHBondContact O-CD 3.45Å; D441-K445 WeakPolarHBondContact O-CE 3.32Å; D441-K445 WeakPolarHBondContact O-CG 3.39Å; D441-K445 PolarHBondContact O-NZ 2.92Å; D441-K445 IonicContact OD1-NZ 3.87Å; T442-K445 CarbonylContact C-O 3.44Å; T442-K445 PolarHBondContact O-N 3.17Å; L443-K445 WeakPolarHBondContact O-CG 3.42Å; L443-K445 PolarHBondContact O-N 2.96Å
446D87.4Confident91.1Very high130 Ų13068.2 Ų68.270%0.69539%0.386SS*.  trans-73150.3176.7-75.2-27.2000112.1R411 A448R411-D446 IonicContact CZ-OD1 3.68Å; R411-D446 IonicContact NH2-OD1 3.37Å; R411-D446 PolarHBondContact NH2-OD1 2.73Å; D446-A448 PolarHBondContact O-N 3.35Å
447P89Confident91.1Very high9 Ų968.2 Ų68.26%0.05839%0.387CS..  trans-55.3129.5176-2534.9000111.6V417 T442 D449 G450 R451 V453V417-P447 HydrophobicContact CG2-CG 4.39Å; T442-P447 HydrophobicContact CG2-CB 4.27Å; T442-P447 HydrophobicContact CG2-CG 3.98Å; P447-D449 WeakPolarHBondContact CB-OD1 3.28Å; P447-D449 PolarHBondContact O-N 3.46Å; P447-G450 PolarHBondContact O-N 2.78Å; P447-R451 HydrophobicContact CB-CG 3.8Å; P447-R451 HydrophobicContact CG-CG 3.94Å; P447-V453 HydrophobicContact CG-CG2 4.14Å
448A88.3Confident91.1Very high104 Ų10466.3 Ų66.386%0.8638%0.375SS*.THydrogen-bonded Turntrans-64.8-23-176.200000113.4D446 G450D446-A448 PolarHBondContact O-N 3.35Å; A448-G450 PolarHBondContact O-N 2.73Å
449D89.6Confident91.2Very high104 Ų10464.6 Ų64.656%0.55637%0.368SS*.THydrogen-bonded Turntrans-79.3-1.6176.264.92.1000113.7P447 R451P447-D449 WeakPolarHBondContact CB-OD1 3.28Å; P447-D449 PolarHBondContact O-N 3.46Å; D449-R451 VanDerWaalsContact C-N 3.3Å; D449-R451 PolarHBondContact O-N 3.39Å; D449-R451 VanDerWaalsContact OD1-CG 3.25Å; D449-R451 WeakPolarHBondContact OD1-CG 3.09Å; D449-R451 PolarHBondContact OD1-N 3.07Å; D449-R451 VanDerWaalsContact OD1-N 3.08Å; D449-R451 IonicContact OD1-NH1 2.94Å; D449-R451 PolarHBondContact OD1-NH1 3.08Å; D449-R451 WeakPolarHBondContact OD2-CD 3.18Å; D449-R451 IonicContact OD2-CZ 3.68Å; D449-R451 IonicContact OD2-NE 2.73Å; D449-R451 IonicContact OD2-NH1 3.47Å; D449-R451 PolarHBondContact OD2-NH1 2.92Å
450G87.3Confident91.3Very high60 Ų6062.9 Ų62.962%0.61936%0.359SS*.  trans77.37.9177.200000114.8P447 A448 K452P447-G450 PolarHBondContact O-N 2.78Å; A448-G450 PolarHBondContact O-N 2.73Å; G450-K452 PolarHBondContact O-N 2.99Å
451R89.9Confident91.6Very high75 Ų7560.5 Ų60.528%0.28334%0.339SS..PPolyproline II helixtrans-66135.1177.776.5-169.6-176.6-97.90.6110.9E409 D439 P447 D449E409-R451 VanDerWaalsContact CD-NE 3.3Å; E409-R451 IonicContact OE1-CZ 3.71Å; E409-R451 VanDerWaalsContact OE1-CZ 3.27Å; E409-R451 IonicContact OE1-NE 3.84Å; E409-R451 PolarHBondContact OE1-NE 3.44Å; E409-R451 IonicContact OE1-NH2 3Å; E409-R451 PolarHBondContact OE1-NH2 3.31Å; E409-R451 WeakPolarHBondContact OE2-CD 3.36Å; E409-R451 IonicContact OE2-CZ 3.07Å; E409-R451 IonicContact OE2-NE 2.69Å; E409-R451 PolarHBondContact OE2-NE 3.22Å; D439-R451 IonicContact OD2-CZ 3.27Å; D439-R451 VanDerWaalsContact OD2-CZ 3.32Å; D439-R451 IonicContact OD2-NH1 3.99Å; D439-R451 PolarHBondContact OD2-NH1 3.06Å; D439-R451 VanDerWaalsContact OD2-NH1 3.08Å; D439-R451 IonicContact OD2-NH2 2.75Å; D439-R451 PolarHBondContact OD2-NH2 3.17Å; P447-R451 HydrophobicContact CB-CG 3.8Å; P447-R451 HydrophobicContact CG-CG 3.94Å; D449-R451 VanDerWaalsContact C-N 3.3Å; D449-R451 PolarHBondContact O-N 3.39Å; D449-R451 VanDerWaalsContact OD1-CG 3.25Å; D449-R451 WeakPolarHBondContact OD1-CG 3.09Å; D449-R451 PolarHBondContact OD1-N 3.07Å; D449-R451 VanDerWaalsContact OD1-N 3.08Å; D449-R451 IonicContact OD1-NH1 2.94Å; D449-R451 PolarHBondContact OD1-NH1 3.08Å; D449-R451 WeakPolarHBondContact OD2-CD 3.18Å; D449-R451 IonicContact OD2-CZ 3.68Å; D449-R451 IonicContact OD2-NE 2.73Å; D449-R451 IonicContact OD2-NH1 3.47Å; D449-R451 PolarHBondContact OD2-NH1 2.92Å
452K86.8Confident91.8Very high193 Ų19356.9 Ų56.984%0.83932%0.323SS*.PPolyproline II helixtrans-88.4116.1-177.4-66.6-166.7179.6-173.60111.6G450G450-K452 PolarHBondContact O-N 2.99Å
453V90Very high91.9Very high35 Ų3560.8 Ų60.821%0.21236%0.355CS..PPolyproline II helixtrans-86.2123.7171.6-174.40000109.5R411 V417 P447 G455R411-V453 HydrophobicContact CB-CG1 4.06Å; V417-V453 HydrophobicContact CB-CG2 4.44Å; V417-V453 HydrophobicContact CG1-CG1 4.35Å; V417-V453 HydrophobicContact CG1-CG2 3.69Å; V417-V453 HydrophobicContact CG2-CG2 3.82Å; P447-V453 HydrophobicContact CG-CG2 4.14Å; V453-G455 PolarHBondContact O-N 2.94Å
454K85.2Confident92.1Very high143 Ų14362.6 Ų62.662%0.62236%0.362SS*.  trans-80.2-17.7-163.9-68.9-175.7-178.6177.60115.4
455G93.8Very high92.8Very high15 Ų1559.5 Ų59.516%0.15534%0.342CS..  trans-162172.4-17900000113.5K402 V410 R411 V453K402-G455 WeakPolarHBondContact O-CA 3.33Å; K402-G455 PolarHBondContact O-N 3.41Å; V410-G455 WeakPolarHBondContact CG2-O 3.48Å; R411-G455 PolarHBondContact N-O 2.86Å; V453-G455 PolarHBondContact O-N 2.94Å
456V96.4Very high93.2Very high57 Ų5755.9 Ų55.935%0.34533%0.327SS..EExtended strand (participates in β ladder)trans-128.4132-175.2-173.30000107.9R411 R413R411-V456 HydrophobicContact CB-CG2 4.16Å; R411-V456 HydrophobicContact CG-CG1 4.39Å; R411-V456 HydrophobicContact CG-CG2 4.39Å; R411-V456 CarbonylContact O-C 3.52Å; R411-V456 VanDerWaalsContact O-CA 3.24Å; R411-V456 WeakPolarHBondContact O-CA 3.47Å; R413-V456 HydrophobicContact CB-CG1 4.03Å
457I97.9Very high93.7Very high1 Ų153.6 Ų53.61%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-118.2150.2176.164.1171.8000110.4I388 D392 R403 V410 R411 L412 R413I388-I457 HydrophobicContact CB-CD1 4.36Å; I388-I457 HydrophobicContact CD1-CD1 4.14Å; I388-I457 HydrophobicContact CG2-CD1 3.99Å; D392-I457 HydrophobicContact CB-CB 4.4Å; D392-I457 HydrophobicContact CB-CD1 4.32Å; D392-I457 HydrophobicContact CB-CG2 3.97Å; R403-I457 HydrophobicContact CB-CG2 4.05Å; R403-I457 HydrophobicContact CG-CG2 4.2Å; V410-I457 HydrophobicContact CG1-CD1 3.75Å; V410-I457 HydrophobicContact CG1-CG1 3.97Å; V410-I457 HydrophobicContact CG2-CG1 4.23Å; V410-I457 HydrophobicContact CG2-CG2 3.85Å; R411-I457 PolarHBondContact O-N 2.9Å; L412-I457 HydrophobicContact CD2-CD1 4.03Å; L412-I457 HydrophobicContact CD2-CG1 3.86Å; R413-I457 WeakPolarHBondContact CB-O 3.16Å; R413-I457 PolarHBondContact N-O 2.98Å
458H98Very high94.1Very high1 Ų153.2 Ų53.21%0.00532%0.317CS..  trans-79.6163.8171.767.9-105.3000108.7M344 A345 D389 E520 E522M344-H458 HydrophobicContact CB-CB 4.48Å; M344-H458 HydrophobicContact CG-CB 4.15Å; M344-H458 HydrophobicContact SD-CB 4.11Å; A345-H458 PolarHBondContact O-CD2 2.82Å; A345-H458 PolarHBondContact O-NE2 2.97Å; D389-H458 IonicContact OD2-CE1 2.71Å; D389-H458 PolarHBondContact OD2-CE1 2.69Å; D389-H458 IonicContact OD2-NE2 2.75Å; D389-H458 PolarHBondContact OD2-NE2 3.08Å; D389-H458 VanDerWaalsContact OD2-NE2 3.12Å; H458-E520 HydrophobicContact CB-CB 4.19Å; H458-E520 PolarHBondContact ND1-O 3.49Å; H458-E522 IonicContact CE1-OE1 2.92Å; H458-E522 PolarHBondContact CE1-OE1 2.82Å; H458-E522 VanDerWaalsContact CE1-OE1 3.3Å; H458-E522 IonicContact ND1-OE1 2.64Å
459W98.3Very high94.6Very high0 Ų049 Ų490%028%0.279CS..  trans-161.2162.2-177.259.4-81000109.4M344 M366 V380 P381 F382 I386 W387 I388 L412 R413 A415M344-W459 HydrophobicContact CE-CD2 4.36Å; M344-W459 HydrophobicContact CE-CZ2 4.15Å; M344-W459 WeakPolarHBondContact CE-O 3.43Å; M344-W459 VanDerWaalsContact SD-O 3.37Å; M366-W459 HydrophobicContact CE-CZ2 3.76Å; V380-W459 HydrophobicContact CG1-CH2 4.17Å; P381-W459 WeakPolarHBondContact O-CH2 3.47Å; P381-W459 WeakPolarHBondContact O-CZ3 3.14Å; F382-W459 HydrophobicContact CB-CH2 3.61Å; F382-W459 HydrophobicContact CB-CZ2 4.43Å; F382-W459 HydrophobicContact CB-CZ3 4.09Å; F382-W459 HydrophobicContact CD2-CD2 4.45Å; F382-W459 HydrophobicContact CD2-CE3 4.09Å; F382-W459 AromaticContact CD2-CH2 3.43Å; F382-W459 HydrophobicContact CD2-CH2 3.43Å; F382-W459 VanDerWaalsContact CD2-CH2 3.43Å; F382-W459 AromaticContact CD2-CZ2 3.76Å; F382-W459 HydrophobicContact CD2-CZ2 3.76Å; F382-W459 AromaticContact CD2-CZ3 3.58Å; F382-W459 HydrophobicContact CD2-CZ3 3.58Å; F382-W459 HydrophobicContact CG-CH2 4.01Å; F382-W459 HydrophobicContact CG-CZ3 4.29Å; I386-W459 HydrophobicContact CB-CE3 4.34Å; I386-W459 HydrophobicContact CD1-CB 4.06Å; I386-W459 HydrophobicContact CD1-CG 4.5Å; I386-W459 HydrophobicContact CG2-CE3 3.85Å; I386-W459 HydrophobicContact CG2-CZ3 4.32Å; W387-W459 WeakPolarHBondContact O-CA 3.42Å; I388-W459 HydrophobicContact CG2-CB 4.09Å; L412-W459 HydrophobicContact CB-CG 4.23Å; L412-W459 HydrophobicContact CD1-CG 4.49Å; L412-W459 HydrophobicContact CD2-CB 4.14Å; L412-W459 HydrophobicContact CD2-CG 4.12Å; R413-W459 PolarHBondContact O-NE1 2.93Å; A415-W459 HydrophobicContact CB-CZ2 3.8Å
460V98.4Very high95Very high1 Ų144 Ų441%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-139144.3169.6-64.20000110.1M344 V346 I386 W387 A462 A465 F503 E505M344-V460 HydrophobicContact CB-CG1 4.12Å; V346-V460 HydrophobicContact CB-CG2 4.4Å; V346-V460 HydrophobicContact CG2-CG2 3.91Å; I386-V460 CarbonylContact C-O 3.5Å; I386-V460 VanDerWaalsContact CA-O 3.28Å; I386-V460 WeakPolarHBondContact CA-O 3.37Å; I386-V460 WeakPolarHBondContact CB-O 3.28Å; W387-V460 HydrophobicContact CB-CG2 3.85Å; W387-V460 HydrophobicContact CG-CG2 4.45Å; W387-V460 PolarHBondContact N-O 3.12Å; W387-V460 PolarHBondContact O-N 3.22Å; W387-V460 VanDerWaalsContact O-N 3.08Å; V460-A462 PolarHBondContact O-N 2.89Å; V460-A465 HydrophobicContact CB-CB 4.15Å; V460-A465 HydrophobicContact CG2-CB 3.82Å; V460-F503 HydrophobicContact CG2-CB 3.75Å; V460-E505 HydrophobicContact CG1-CB 4.29Å
461S98Very high95.6Very high4 Ų442.1 Ų42.13%0.02823%0.227CC..EExtended strand (participates in β ladder)trans-63.4127.6177.2165.60000111.2P381 S383 A463 H464 A465P381-S461 WeakPolarHBondContact O-CB 3.49Å; S383-S461 WeakPolarHBondContact OG-CB 3.49Å; S383-S461 PolarHBondContact OG-OG 3.39Å; S461-A463 VanDerWaalsContact C-N 3.28Å; S461-A463 PolarHBondContact O-N 3.49Å; S461-H464 PolarHBondContact O-N 3.42Å; S461-H464 PolarHBondContact OG-ND1 2.83Å; S461-A465 WeakPolarHBondContact O-CA 3.3Å; S461-A465 WeakPolarHBondContact O-CB 3.49Å; S461-A465 PolarHBondContact O-N 3.03Å
462A97.1Very high95.9Very high25 Ų2539.8 Ų39.821%0.20722%0.22CC..THydrogen-bonded Turntrans-65.8-31.9-177.500000113E385 V460E385-A462 HydrophobicContact CB-CB 3.92Å; E385-A462 WeakPolarHBondContact O-CB 3.08Å; E385-A462 PolarHBondContact O-N 3.3Å; V460-A462 PolarHBondContact O-N 2.89Å
463A95.5Very high96.5Very high82 Ų8230.7 Ų30.768%0.67818%0.18SC*.THydrogen-bonded Turntrans-75.8-24.1179.700000113.6S461S461-A463 VanDerWaalsContact C-N 3.28Å; S461-A463 PolarHBondContact O-N 3.49Å
464H96.9Very high96.8Very high93 Ų9330.5 Ų30.543%0.43118%0.178SC..THydrogen-bonded Turntrans-116.9-13.9-172.3-54.894.5000113.5P381 S461 P506P381-H464 HydrophobicContact CB-CB 4.11Å; P381-H464 HydrophobicContact CG-CB 3.55Å; S461-H464 PolarHBondContact O-N 3.42Å; S461-H464 PolarHBondContact OG-ND1 2.83Å; H464-P506 HydrophobicContact CB-CG 4.11Å; H464-P506 WeakPolarHBondContact O-CG 3.38Å
465A96.9Very high97.3Very high15 Ų1524.1 Ų24.112%0.12415%0.15CC..PPolyproline II helixtrans-61.1142-174.600000112.3V460 S461 P467 F503 A504V460-A465 HydrophobicContact CB-CB 4.15Å; V460-A465 HydrophobicContact CG2-CB 3.82Å; S461-A465 WeakPolarHBondContact O-CA 3.3Å; S461-A465 WeakPolarHBondContact O-CB 3.49Å; S461-A465 PolarHBondContact O-N 3.03Å; A465-P467 WeakPolarHBondContact O-CD 3.28Å; A465-F503 HydrophobicContact CB-CB 3.89Å; A465-F503 HydrophobicContact CB-CD1 3.92Å; A465-F503 HydrophobicContact CB-CG 4.23Å; A465-A504 WeakPolarHBondContact CA-O 3.11Å
466L96.4Very high97.5Very high27 Ų2723.8 Ų23.814%0.14115%0.145CC..EExtended strand (participates in β ladder)trans-83.5119.5175.3-17861000108.9V468 F503 A504 K509 P537L466-V468 HydrophobicContact CD2-CG1 4.29Å; L466-V468 HydrophobicContact CG-CG1 4.01Å; L466-V468 PolarHBondContact O-N 2.84Å; L466-F503 WeakPolarHBondContact O-CA 3.28Å; L466-A504 HydrophobicContact CB-CB 4.45Å; L466-A504 PolarHBondContact N-O 2.75Å; L466-A504 PolarHBondContact O-N 2.95Å; L466-K509 HydrophobicContact CD2-CB 4.14Å; L466-P537 HydrophobicContact CD1-CG 4.25Å; L466-P537 HydrophobicContact CD2-CG 3.81Å; L466-P537 HydrophobicContact CG-CG 4.09Å
467P97.6Very high97.6Very high82 Ų8221.2 Ų21.253%0.53213%0.129SC..EExtended strand (participates in β ladder)trans-64.6131171.3-17.831.3000110A465 F503A465-P467 WeakPolarHBondContact O-CD 3.28Å; P467-F503 HydrophobicContact CB-CE1 4.29Å; P467-F503 HydrophobicContact CG-CE1 4.16Å
468V98.2Very high97.5Very high1 Ų123.8 Ų23.81%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-138.7146.5-176.7-63.70000112L466 I470 G502 A504 P537 F539L466-V468 HydrophobicContact CD2-CG1 4.29Å; L466-V468 HydrophobicContact CG-CG1 4.01Å; L466-V468 PolarHBondContact O-N 2.84Å; V468-I470 HydrophobicContact CG2-CD1 3.91Å; V468-I470 HydrophobicContact CG2-CG1 3.8Å; V468-G502 PolarHBondContact N-O 3.39Å; V468-G502 PolarHBondContact O-N 2.84Å; V468-A504 HydrophobicContact CG1-CB 3.74Å; V468-A504 HydrophobicContact CG2-CB 3.93Å; V468-P537 HydrophobicContact CG1-CB 4.01Å; V468-P537 HydrophobicContact CG1-CG 4.24Å; V468-F539 HydrophobicContact CB-CD2 4.18Å; V468-F539 HydrophobicContact CB-CE2 4.48Å; V468-F539 HydrophobicContact CG1-CD2 4.12Å; V468-F539 HydrophobicContact CG1-CE2 3.91Å
469E98.4Very high97.4Very high15 Ų1526 Ų267%0.0716%0.16CC..EExtended strand (participates in β ladder)trans-88.8128.8165.3-178.5178.3119.500108.7R471 I499 K536 P537 V538 F539E469-R471 IonicContact OE1-CZ 3.92Å; E469-R471 IonicContact OE1-NE 3.39Å; E469-R471 PolarHBondContact OE1-NE 2.75Å; E469-R471 IonicContact OE1-NH2 3.12Å; E469-R471 PolarHBondContact OE1-NH2 2.99Å; E469-I499 HydrophobicContact CG-CG2 3.61Å; E469-K536 WeakPolarHBondContact OE2-CE 3.46Å; E469-K536 IonicContact OE2-NZ 3.34Å; E469-K536 PolarHBondContact OE2-NZ 2.8Å; E469-P537 PolarHBondContact N-O 3.19Å; E469-P537 VanDerWaalsContact N-O 3.09Å; E469-V538 HydrophobicContact CB-CG1 4.38Å; E469-V538 HydrophobicContact CB-CG2 4.12Å; E469-V538 HydrophobicContact CG-CG1 4.36Å; E469-V538 CarbonylContact O-C 3.59Å; E469-V538 WeakPolarHBondContact O-CA 3.38Å; E469-F539 PolarHBondContact O-N 2.72Å
470I98.5Very high97.3Very high0 Ų028.8 Ų28.80%018%0.178CC..EExtended strand (participates in β ladder)trans-117.2119.5-178.8-56.2178.6000108.5I347 V468 L472 K500 F525 F539I347-I470 HydrophobicContact CB-CD1 4.39Å; I347-I470 HydrophobicContact CD1-CG2 4.43Å; I347-I470 HydrophobicContact CG1-CD1 3.91Å; V468-I470 HydrophobicContact CG2-CD1 3.91Å; V468-I470 HydrophobicContact CG2-CG1 3.8Å; I470-L472 HydrophobicContact CG2-CD2 3.95Å; I470-L472 HydrophobicContact CG2-CG 4.45Å; I470-K500 PolarHBondContact N-O 3.01Å; I470-K500 PolarHBondContact O-N 2.97Å; I470-F525 HydrophobicContact CG2-CD1 4.14Å; I470-F525 HydrophobicContact CG2-CE1 3.57Å; I470-F525 HydrophobicContact CG2-CZ 4.46Å; I470-F539 WeakPolarHBondContact CA-O 3.39Å
471R98.4Very high97.1Very high19 Ų1933.2 Ų33.27%0.07220%0.202CC..EExtended strand (participates in β ladder)trans-101.4103.7-179.6-61.7-172.7176.9-176.43.4109.7E469 Y473 L497 I499 H531 V538 F539 R541E469-R471 IonicContact OE1-CZ 3.92Å; E469-R471 IonicContact OE1-NE 3.39Å; E469-R471 PolarHBondContact OE1-NE 2.75Å; E469-R471 IonicContact OE1-NH2 3.12Å; E469-R471 PolarHBondContact OE1-NH2 2.99Å; R471-Y473 HydrophobicContact CB-CD2 4.2Å; R471-Y473 HydrophobicContact CB-CE2 3.62Å; R471-Y473 PolarHBondContact O-N 3.47Å; R471-L497 HydrophobicContact CB-CD1 3.89Å; R471-L497 HydrophobicContact CG-CD1 4.44Å; R471-I499 HydrophobicContact CG-CG1 4.36Å; R471-H531 PolarHBondContact NH1-CD2 2.92Å; R471-H531 PolarHBondContact NH1-NE2 2.96Å; R471-H531 PolarHBondContact NH2-CD2 2.82Å; R471-H531 PolarHBondContact NH2-ND1 3.38Å; R471-V538 HydrophobicContact CG-CG1 4.03Å; R471-F539 PolarHBondContact N-O 2.77Å; R471-R541 PolarHBondContact O-N 3.21Å
472L98.2Very high97Very high27 Ų2733 Ų3314%0.14120%0.201CC..EExtended strand (participates in β ladder)trans-85.391.7179.5-58.8176.9000109.3I347 I470 L497 V498 K500 F525 R541I347-L472 HydrophobicContact CD1-CD2 4.08Å; I347-L472 HydrophobicContact CG2-CD1 4.12Å; I347-L472 HydrophobicContact CG2-CD2 4.48Å; I470-L472 HydrophobicContact CG2-CD2 3.95Å; I470-L472 HydrophobicContact CG2-CG 4.45Å; L472-L497 WeakPolarHBondContact O-CA 3.37Å; L472-V498 HydrophobicContact CB-CB 4.2Å; L472-V498 WeakPolarHBondContact CB-O 3.45Å; L472-V498 HydrophobicContact CD1-CB 4.46Å; L472-V498 HydrophobicContact CD1-CG1 4.47Å; L472-V498 PolarHBondContact N-O 2.71Å; L472-V498 PolarHBondContact O-N 2.94Å; L472-K500 HydrophobicContact CD1-CG 4.12Å; L472-F525 HydrophobicContact CD2-CE1 4.06Å; L472-F525 HydrophobicContact CD2-CZ 4.22Å; L472-R541 HydrophobicContact CD2-CB 4.31Å
473Y98.1Very high96.7Very high2 Ų233.5 Ų33.51%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-79.5143174.5-68.7-75.5000111.9P289 R290 R471 S496 L497 N540 R541P289-Y473 HydrophobicContact CB-CD1 3.91Å; P289-Y473 HydrophobicContact CB-CD2 3.79Å; P289-Y473 HydrophobicContact CB-CE1 3.69Å; P289-Y473 HydrophobicContact CB-CE2 3.61Å; P289-Y473 HydrophobicContact CB-CG 3.93Å; P289-Y473 HydrophobicContact CG-CD2 4.32Å; P289-Y473 HydrophobicContact CG-CE1 4.01Å; P289-Y473 HydrophobicContact CG-CE2 3.64Å; P289-Y473 VanDerWaalsContact CG-CZ 3.44Å; P289-Y473 WeakPolarHBondContact CG-OH 3.26Å; R290-Y473 HydrophobicContact CG-CD1 3.54Å; R290-Y473 HydrophobicContact CG-CE1 3.96Å; R471-Y473 HydrophobicContact CB-CD2 4.2Å; R471-Y473 HydrophobicContact CB-CE2 3.62Å; R471-Y473 PolarHBondContact O-N 3.47Å; Y473-S496 WeakPolarHBondContact CA-O 2.97Å; Y473-L497 HydrophobicContact CD1-CB 4.28Å; Y473-L497 HydrophobicContact CD1-CD1 3.93Å; Y473-L497 HydrophobicContact CE1-CB 4.3Å; Y473-L497 HydrophobicContact CE1-CD1 3.68Å; Y473-L497 HydrophobicContact CE1-CD2 4.09Å; Y473-L497 HydrophobicContact CE1-CG 4.24Å; Y473-L497 HydrophobicContact CE2-CD1 4.37Å; Y473-L497 HydrophobicContact CG-CD1 4.44Å; Y473-N540 HydrophobicContact CD2-CB 4.05Å; Y473-N540 HydrophobicContact CE2-CB 3.83Å; Y473-N540 WeakPolarHBondContact CE2-OD1 3.25Å; Y473-R541 PolarHBondContact O-NE 3.29Å; Y473-R541 PolarHBondContact O-NH2 3.25Å
474D96.3Very high96.5Very high30 Ų3033 Ų3316%0.1620%0.204CC..  trans-129.9-173171.5-144.7-42000110.6S496 R541 W549D474-S496 PolarHBondContact N-O 2.57Å; D474-R541 IonicContact OD2-NH2 2.73Å; D474-W549 PolarHBondContact OD1-NE1 3.32Å
475R96.9Very high96.3Very high10 Ų1030 Ų304%0.03820%0.195CC..  trans-62136.9174-57.3-175.5-177.6167.84.1109.6M325 E329 F477 N493 D547 W549M325-R475 HydrophobicContact CG-CG 4.36Å; E329-R475 IonicContact OE1-CZ 3.5Å; E329-R475 IonicContact OE1-NE 2.98Å; E329-R475 PolarHBondContact OE1-NE 2.84Å; E329-R475 IonicContact OE1-NH2 3.12Å; E329-R475 PolarHBondContact OE1-NH2 2.9Å; E329-R475 IonicContact OE2-NH2 3.84Å; R475-F477 VanDerWaalsContact C-N 3.32Å; R475-F477 PolarHBondContact O-N 3.02Å; R475-N493 VanDerWaalsContact O-CB 3.26Å; R475-N493 WeakPolarHBondContact O-CB 3.26Å; R475-N493 PolarHBondContact O-ND2 2.97Å; R475-D547 IonicContact NH2-OD1 4Å; R475-D547 IonicContact NH2-OD2 3.75Å; R475-W549 HydrophobicContact CB-CH2 4.19Å; R475-W549 HydrophobicContact CB-CZ2 3.72Å; R475-W549 HydrophobicContact CG-CD2 4.49Å; R475-W549 HydrophobicContact CG-CZ2 3.96Å; R475-W549 VanDerWaalsContact CZ-CB 3.48Å; R475-W549 VanDerWaalsContact NH1-CG 3.31Å
476L97.9Very high96Very high8 Ų838 Ų384%0.04224%0.236CC..SBendtrans-68.2-32.2-176.6179.757.4000112.5L277 V283 R290 I492 N493L277-L476 HydrophobicContact CD1-CD2 3.86Å; V283-L476 HydrophobicContact CG1-CD1 4.24Å; V283-L476 HydrophobicContact CG1-CD2 4.3Å; R290-L476 HydrophobicContact CB-CB 4.26Å; R290-L476 HydrophobicContact CB-CD1 4.09Å; L476-I492 HydrophobicContact CD1-CG2 4.35Å; L476-I492 WeakPolarHBondContact O-CA 3.43Å; L476-N493 PolarHBondContact O-N 3.13Å
477F98Very high95.9Very high2 Ų240.4 Ų40.41%0.00925%0.249CC..BIsolated β-bridgetrans-115.1149.8179.7-61.5-77.9000110.8Y266 V268 L277 R475 P482 F488 V491 I492Y266-F477 WeakPolarHBondContact CD1-O 3.46Å; Y266-F477 WeakPolarHBondContact O-CD2 3.2Å; V268-F477 HydrophobicContact CB-CE2 4.34Å; V268-F477 HydrophobicContact CG1-CE2 3.91Å; V268-F477 HydrophobicContact CG1-CZ 3.94Å; V268-F477 HydrophobicContact CG2-CE2 3.82Å; V268-F477 HydrophobicContact CG2-CZ 3.89Å; L277-F477 HydrophobicContact CD1-CZ 4.12Å; L277-F477 HydrophobicContact CD2-CZ 4.25Å; R475-F477 VanDerWaalsContact C-N 3.32Å; R475-F477 PolarHBondContact O-N 3.02Å; F477-P482 HydrophobicContact CB-CB 3.83Å; F477-P482 HydrophobicContact CB-CG 3.96Å; F477-P482 HydrophobicContact CD1-CB 3.64Å; F477-P482 HydrophobicContact CD1-CG 4.3Å; F477-P482 HydrophobicContact CD2-CB 4.01Å; F477-P482 HydrophobicContact CD2-CG 3.73Å; F477-P482 HydrophobicContact CE1-CB 4.18Å; F477-P482 HydrophobicContact CE2-CG 4.3Å; F477-P482 HydrophobicContact CG-CB 3.53Å; F477-P482 HydrophobicContact CG-CG 3.72Å; F477-F488 AromaticContact CE1-CD2 3.78Å; F477-F488 HydrophobicContact CE1-CD2 3.78Å; F477-F488 HydrophobicContact CE1-CE2 4.42Å; F477-F488 VanDerWaalsContact CE1-O 3.32Å; F477-F488 WeakPolarHBondContact CE1-O 3.42Å; F477-F488 AromaticContact CZ-CD2 3.83Å; F477-F488 HydrophobicContact CZ-CD2 3.83Å; F477-F488 HydrophobicContact CZ-CE2 4.18Å; F477-V491 WeakPolarHBondContact CA-O 3.44Å; F477-V491 HydrophobicContact CD1-CG2 4.1Å; F477-I492 HydrophobicContact CD1-CG1 4.09Å; F477-I492 HydrophobicContact CE1-CG1 3.75Å
478S95.8Very high95.8Very high55 Ų5537 Ų3739%0.38523%0.226SC..SBendtrans-88.8-10.2-179.457.40000114.2V491S478-V491 PolarHBondContact N-O 2.86Å; S478-V491 PolarHBondContact OG-O 3.24Å
479V95.7Very high95.7Very high48 Ų4838.5 Ų38.529%0.29123%0.234SC..SBendtrans-118.6149.1-178.1-59.50000111.8Y266 N481 P482 V491Y266-V479 WeakPolarHBondContact CA-O 3.39Å; Y266-V479 VanDerWaalsContact CD1-O 3.22Å; Y266-V479 WeakPolarHBondContact CD1-O 3.38Å; Y266-V479 VanDerWaalsContact CE1-C 3.46Å; V479-N481 VanDerWaalsContact C-N 3.34Å; V479-N481 PolarHBondContact O-N 3.44Å; V479-P482 HydrophobicContact CG2-CB 4.21Å; V479-P482 WeakPolarHBondContact O-CD 3.48Å; V479-V491 HydrophobicContact CG1-CB 4.38Å; V479-V491 HydrophobicContact CG1-CG1 4.24Å; V479-V491 HydrophobicContact CG2-CB 3.85Å; V479-V491 HydrophobicContact CG2-CG1 4.14Å; V479-V491 HydrophobicContact CG2-CG2 3.8Å
480P95.2Very high95.6Very high58 Ų5841.9 Ų41.938%0.37726%0.259SS..SBendtrans-60.8-37.3-178.5-23.831.2000114.2E265 Y266 P482E265-P480 CarbonylContact C-O 3.54Å; E265-P480 WeakPolarHBondContact CA-O 3.18Å; E265-P480 HydrophobicContact CB-CB 4.39Å; E265-P480 HydrophobicContact CG-CB 4.28Å; Y266-P480 HydrophobicContact CE1-CG 4.2Å; Y266-P480 HydrophobicContact CE2-CB 4.31Å; Y266-P480 HydrophobicContact CE2-CG 4.34Å; Y266-P480 PolarHBondContact N-O 2.87Å; P480-P482 WeakPolarHBondContact O-CD 3.32Å
481N94.6Very high95.5Very high95 Ų9543 Ų4351%0.50827%0.266SS..  trans-120.675.5179.7-171.2-1.1000111.4V479 G483 A484V479-N481 VanDerWaalsContact C-N 3.34Å; V479-N481 PolarHBondContact O-N 3.44Å; N481-G483 PolarHBondContact O-N 2.91Å; N481-G483 VanDerWaalsContact O-N 3.13Å; N481-G483 WeakPolarHBondContact OD1-CA 3.42Å; N481-G483 PolarHBondContact OD1-N 2.79Å; N481-A484 HydrophobicContact CB-CB 4.47Å; N481-A484 PolarHBondContact O-N 2.65Å; N481-A484 VanDerWaalsContact O-N 3.14Å; N481-A484 PolarHBondContact OD1-N 3.23Å
482P95.8Very high95.5Very high0 Ų043.8 Ų43.80%027%0.271CS..G310 helixtrans-64.4-19.117729.3-35.1000111.5V268 F477 V479 P480 A484 A485 F488 V491V268-P482 HydrophobicContact CG1-CB 4.1Å; V268-P482 HydrophobicContact CG1-CG 3.78Å; F477-P482 HydrophobicContact CB-CB 3.83Å; F477-P482 HydrophobicContact CB-CG 3.96Å; F477-P482 HydrophobicContact CD1-CB 3.64Å; F477-P482 HydrophobicContact CD1-CG 4.3Å; F477-P482 HydrophobicContact CD2-CB 4.01Å; F477-P482 HydrophobicContact CD2-CG 3.73Å; F477-P482 HydrophobicContact CE1-CB 4.18Å; F477-P482 HydrophobicContact CE2-CG 4.3Å; F477-P482 HydrophobicContact CG-CB 3.53Å; F477-P482 HydrophobicContact CG-CG 3.72Å; V479-P482 HydrophobicContact CG2-CB 4.21Å; V479-P482 WeakPolarHBondContact O-CD 3.48Å; P480-P482 WeakPolarHBondContact O-CD 3.32Å; P482-A484 PolarHBondContact O-N 2.72Å; P482-A485 PolarHBondContact O-N 3.42Å; P482-F488 WeakPolarHBondContact O-CB 3.15Å; P482-V491 HydrophobicContact CB-CG2 3.96Å
483G91.4Very high95.5Very high35 Ų3543.2 Ų43.236%0.36127%0.268SS..G310 helixtrans-57.3-33.717400000113.9K273 N481K273-G483 PolarHBondContact NZ-O 3.25Å; N481-G483 PolarHBondContact O-N 2.91Å; N481-G483 VanDerWaalsContact O-N 3.13Å; N481-G483 WeakPolarHBondContact OD1-CA 3.42Å; N481-G483 PolarHBondContact OD1-N 2.79Å
484A92Very high95.4Very high72 Ų7248.7 Ų48.760%0.59530%0.304SS*.G310 helixtrans-98-4.8-173.300000114.6N481 P482N481-A484 HydrophobicContact CB-CB 4.47Å; N481-A484 PolarHBondContact O-N 2.65Å; N481-A484 VanDerWaalsContact O-N 3.14Å; N481-A484 PolarHBondContact OD1-N 3.23Å; P482-A484 PolarHBondContact O-N 2.72Å
485A92.4Very high95.4Very high29 Ų2953.5 Ų53.524%0.2433%0.325CS..SBendtrans-67.2144.1171.700000110.5P482 D487 V491P482-A485 PolarHBondContact O-N 3.42Å; A485-D487 VanDerWaalsContact C-N 3.28Å; A485-D487 PolarHBondContact O-N 3.06Å; A485-V491 HydrophobicContact CB-CG1 4.16Å; A485-V491 HydrophobicContact CB-CG2 4.06Å
486D90.6Very high95.4Very high183 Ų18353.3 Ų53.398%0.97933%0.325SS*.SBendtrans-53.2-48.8177-71-26.3000111
487D94Very high95.5Very high77 Ų7755 Ų5541%0.41233%0.334SS..SBendtrans-120.5111.4165.4176.519.8000109.7A485 L489 S490A485-D487 VanDerWaalsContact C-N 3.28Å; A485-D487 PolarHBondContact O-N 3.06Å; D487-L489 PolarHBondContact O-N 2.86Å; D487-L489 WeakPolarHBondContact OD1-CB 2.85Å; D487-L489 PolarHBondContact OD1-N 3.2Å; D487-S490 WeakPolarHBondContact O-CB 3.45Å; D487-S490 PolarHBondContact O-N 2.84Å; D487-S490 PolarHBondContact O-OG 3.16Å; D487-S490 PolarHBondContact OD2-N 2.86Å
488F95.3Very high95.5Very high11 Ų1157.5 Ų57.55%0.04835%0.349CS..THydrogen-bonded Turntrans-70-18.3179.781.8-78000113.3V268 K273 L276 L277 F477 P482 S490 V491V268-F488 HydrophobicContact CG1-CD2 4.09Å; V268-F488 HydrophobicContact CG2-CE2 4.45Å; K273-F488 HydrophobicContact CB-CD2 4.48Å; K273-F488 HydrophobicContact CB-CE1 4.1Å; K273-F488 HydrophobicContact CB-CE2 3.85Å; K273-F488 HydrophobicContact CB-CZ 3.64Å; K273-F488 HydrophobicContact CD-CD1 3.89Å; K273-F488 HydrophobicContact CD-CD2 4.17Å; K273-F488 HydrophobicContact CD-CE1 4.08Å; K273-F488 HydrophobicContact CD-CE2 4.35Å; K273-F488 HydrophobicContact CD-CG 3.94Å; K273-F488 HydrophobicContact CD-CZ 4.3Å; K273-F488 HydrophobicContact CG-CD1 4.06Å; K273-F488 HydrophobicContact CG-CE1 3.71Å; K273-F488 HydrophobicContact CG-CE2 4.22Å; K273-F488 HydrophobicContact CG-CG 4.46Å; K273-F488 HydrophobicContact CG-CZ 3.8Å; L276-F488 HydrophobicContact CB-CZ 4.3Å; L276-F488 HydrophobicContact CD2-CE1 3.7Å; L276-F488 HydrophobicContact CD2-CZ 3.82Å; L277-F488 HydrophobicContact CD1-CE2 4.46Å; L277-F488 HydrophobicContact CD2-CE2 4.06Å; L277-F488 HydrophobicContact CG-CE2 4.05Å; F477-F488 AromaticContact CE1-CD2 3.78Å; F477-F488 HydrophobicContact CE1-CD2 3.78Å; F477-F488 HydrophobicContact CE1-CE2 4.42Å; F477-F488 VanDerWaalsContact CE1-O 3.32Å; F477-F488 WeakPolarHBondContact CE1-O 3.42Å; F477-F488 AromaticContact CZ-CD2 3.83Å; F477-F488 HydrophobicContact CZ-CD2 3.83Å; F477-F488 HydrophobicContact CZ-CE2 4.18Å; P482-F488 WeakPolarHBondContact O-CB 3.15Å; F488-S490 VanDerWaalsContact C-N 3.33Å; F488-V491 WeakPolarHBondContact O-CG2 3.15Å
489L96.2Very high95.6Very high33 Ų3359 Ų5917%0.17335%0.352CS..THydrogen-bonded Turntrans-72.5-30.9175.4-59.9177.3000111.3L276 L277 D487 V491 I492L276-L489 HydrophobicContact CD2-CD1 3.88Å; L276-L489 HydrophobicContact CD2-CD2 4.43Å; L276-L489 HydrophobicContact CD2-CG 4.35Å; L276-L489 HydrophobicContact CG-CD1 4.5Å; L277-L489 HydrophobicContact CD2-CD2 3.93Å; D487-L489 PolarHBondContact O-N 2.86Å; D487-L489 WeakPolarHBondContact OD1-CB 2.85Å; D487-L489 PolarHBondContact OD1-N 3.2Å; L489-V491 PolarHBondContact O-N 3.33Å; L489-I492 HydrophobicContact CB-CD1 4.36Å; L489-I492 HydrophobicContact CD2-CD1 3.99Å; L489-I492 WeakPolarHBondContact O-CB 3.39Å; L489-I492 WeakPolarHBondContact O-CD1 3.38Å; L489-I492 VanDerWaalsContact O-CG1 3.3Å; L489-I492 WeakPolarHBondContact O-CG1 3.39Å; L489-I492 PolarHBondContact O-N 2.74Å
490S96.3Very high95.7Very high86 Ų8660.2 Ų60.260%0.60135%0.354SS*.THydrogen-bonded Turntrans-64.9-20.2178.175.30000114.1D487 F488D487-S490 WeakPolarHBondContact O-CB 3.45Å; D487-S490 PolarHBondContact O-N 2.84Å; D487-S490 PolarHBondContact O-OG 3.16Å; D487-S490 PolarHBondContact OD2-N 2.86Å; F488-S490 VanDerWaalsContact C-N 3.33Å
491V97.2Very high95.8Very high23 Ų2362.8 Ų62.814%0.13936%0.361CS..THydrogen-bonded Turntrans-103.917.5-179.3-61.60000112.9F477 S478 V479 P482 A485 F488 L489 N493F477-V491 WeakPolarHBondContact CA-O 3.44Å; F477-V491 HydrophobicContact CD1-CG2 4.1Å; S478-V491 PolarHBondContact N-O 2.86Å; S478-V491 PolarHBondContact OG-O 3.24Å; V479-V491 HydrophobicContact CG1-CB 4.38Å; V479-V491 HydrophobicContact CG1-CG1 4.24Å; V479-V491 HydrophobicContact CG2-CB 3.85Å; V479-V491 HydrophobicContact CG2-CG1 4.14Å; V479-V491 HydrophobicContact CG2-CG2 3.8Å; P482-V491 HydrophobicContact CB-CG2 3.96Å; A485-V491 HydrophobicContact CB-CG1 4.16Å; A485-V491 HydrophobicContact CB-CG2 4.06Å; F488-V491 WeakPolarHBondContact O-CG2 3.15Å; L489-V491 PolarHBondContact O-N 3.33Å; V491-N493 PolarHBondContact O-N 3.25Å
492I97.9Very high96Very high36 Ų3658.4 Ų58.419%0.18534%0.338CS..BIsolated β-bridgetrans-64.1132.9169.2-70.3170.7000108.8L277 H282 L476 F477 L489 P494L277-I492 HydrophobicContact CD2-CD1 3.98Å; H282-I492 HydrophobicContact CB-CD1 3.96Å; L476-I492 HydrophobicContact CD1-CG2 4.35Å; L476-I492 WeakPolarHBondContact O-CA 3.43Å; F477-I492 HydrophobicContact CD1-CG1 4.09Å; F477-I492 HydrophobicContact CE1-CG1 3.75Å; L489-I492 HydrophobicContact CB-CD1 4.36Å; L489-I492 HydrophobicContact CD2-CD1 3.99Å; L489-I492 WeakPolarHBondContact O-CB 3.39Å; L489-I492 WeakPolarHBondContact O-CD1 3.38Å; L489-I492 VanDerWaalsContact O-CG1 3.3Å; L489-I492 WeakPolarHBondContact O-CG1 3.39Å; L489-I492 PolarHBondContact O-N 2.74Å; I492-P494 WeakPolarHBondContact O-CD 3.46Å
493N97.4Very high96.1Very high14 Ų1460.7 Ų60.78%0.07535%0.348CS..  trans-72.1116.7175.1176.912.2000109.8R475 L476 V491 E495 S496R475-N493 VanDerWaalsContact O-CB 3.26Å; R475-N493 WeakPolarHBondContact O-CB 3.26Å; R475-N493 PolarHBondContact O-ND2 2.97Å; L476-N493 PolarHBondContact O-N 3.13Å; V491-N493 PolarHBondContact O-N 3.25Å; N493-E495 PolarHBondContact O-N 3.29Å; N493-E495 PolarHBondContact OD1-N 2.95Å; N493-S496 WeakPolarHBondContact O-CB 3.36Å; N493-S496 PolarHBondContact O-N 2.98Å; N493-S496 PolarHBondContact O-OG 3.33Å
494P96.8Very high96.4Very high118 Ų11859 Ų5977%0.76633%0.331SS*.THydrogen-bonded Turntrans-64.7-22.617827.6-34.8000112.5I492 S496I492-P494 WeakPolarHBondContact O-CD 3.46Å; P494-S496 VanDerWaalsContact C-N 3.34Å
495E96.3Very high96.7Very high131 Ų13155.6 Ų55.661%0.61230%0.303SS*.THydrogen-bonded Turntrans-93.712.7176.1-56.8-169.5158.100112.8N493 L497N493-E495 PolarHBondContact O-N 3.29Å; N493-E495 PolarHBondContact OD1-N 2.95Å; E495-L497 PolarHBondContact O-N 2.93Å; E495-L497 VanDerWaalsContact O-N 3.09Å
496S97.6Very high96.8Very high5 Ų556.6 Ų56.64%0.03531%0.307CS..SBendtrans-59.8-21.7178.660.80000113.6R290 Y473 D474 N493 P494R290-S496 WeakPolarHBondContact CD-O 3.45Å; R290-S496 PolarHBondContact NH1-OG 2.69Å; Y473-S496 WeakPolarHBondContact CA-O 2.97Å; D474-S496 PolarHBondContact N-O 2.57Å; N493-S496 WeakPolarHBondContact O-CB 3.36Å; N493-S496 PolarHBondContact O-N 2.98Å; N493-S496 PolarHBondContact O-OG 3.33Å; P494-S496 VanDerWaalsContact C-N 3.34Å
497L98.4Very high97Very high43 Ų4349.9 Ų49.923%0.22527%0.274CS..EExtended strand (participates in β ladder)trans-145.9120.3170.5170.958.3000110.1R471 L472 Y473 E495 I499R471-L497 HydrophobicContact CB-CD1 3.89Å; R471-L497 HydrophobicContact CG-CD1 4.44Å; L472-L497 WeakPolarHBondContact O-CA 3.37Å; Y473-L497 HydrophobicContact CD1-CB 4.28Å; Y473-L497 HydrophobicContact CD1-CD1 3.93Å; Y473-L497 HydrophobicContact CE1-CB 4.3Å; Y473-L497 HydrophobicContact CE1-CD1 3.68Å; Y473-L497 HydrophobicContact CE1-CD2 4.09Å; Y473-L497 HydrophobicContact CE1-CG 4.24Å; Y473-L497 HydrophobicContact CE2-CD1 4.37Å; Y473-L497 HydrophobicContact CG-CD1 4.44Å; E495-L497 PolarHBondContact O-N 2.93Å; E495-L497 VanDerWaalsContact O-N 3.09Å; L497-I499 HydrophobicContact CD1-CG1 3.98Å; L497-I499 HydrophobicContact CD2-CD1 4.39Å; L497-I499 HydrophobicContact CD2-CG1 4.41Å; L497-I499 HydrophobicContact CG-CG1 4.11Å
498V98.1Very high97.1Very high55 Ų5546.3 Ų46.333%0.33326%0.255SS..EExtended strand (participates in β ladder)trans-116.6126.5166.9178.50000108.9L472 K500L472-V498 HydrophobicContact CB-CB 4.2Å; L472-V498 WeakPolarHBondContact CB-O 3.45Å; L472-V498 HydrophobicContact CD1-CB 4.46Å; L472-V498 HydrophobicContact CD1-CG1 4.47Å; L472-V498 PolarHBondContact N-O 2.71Å; L472-V498 PolarHBondContact O-N 2.94Å; V498-K500 HydrophobicContact CG1-CG 4.36Å
499I98.1Very high97Very high86 Ų8652.8 Ų52.844%0.44128%0.283SS..EExtended strand (participates in β ladder)trans-100.6128.4178.1-56.6-179.9000108.9E469 R471 L497E469-I499 HydrophobicContact CG-CG2 3.61Å; R471-I499 HydrophobicContact CG-CG1 4.36Å; L497-I499 HydrophobicContact CD1-CG1 3.98Å; L497-I499 HydrophobicContact CD2-CD1 4.39Å; L497-I499 HydrophobicContact CD2-CG1 4.41Å; L497-I499 HydrophobicContact CG-CG1 4.11Å
500K98Very high96.8Very high74 Ų7457.7 Ų57.732%0.32231%0.309SS..EExtended strand (participates in β ladder)trans-123.2150.9177.6-69.9-72.9-170.6165.80110.3I347 I470 L472 V498I347-K500 HydrophobicContact CG2-CB 4Å; I347-K500 HydrophobicContact CG2-CG 3.99Å; I470-K500 PolarHBondContact N-O 3.01Å; I470-K500 PolarHBondContact O-N 2.97Å; L472-K500 HydrophobicContact CD1-CG 4.12Å; V498-K500 HydrophobicContact CG1-CG 4.36Å
501Q98Very high96.7Very high113 Ų11354.2 Ų54.253%0.52829%0.286SS..EExtended strand (participates in β ladder)trans-103.8115.8168.5-59.8-59.4-32.500107.2
502G97.9Very high96.6Very high3 Ų357 Ų573%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-129-170.1-173.800000112.2V346 V468V346-G502 CarbonylContact O-C 3.5Å; V346-G502 WeakPolarHBondContact O-CA 3.39Å; V468-G502 PolarHBondContact N-O 3.39Å; V468-G502 PolarHBondContact O-N 2.84Å
503F98.4Very high96.3Very high47 Ų4757.5 Ų57.521%0.20631%0.313CS..EExtended strand (participates in β ladder)trans-132.6131.2-179-72.5-75000110.4A345 V346 P349 W387 V460 A465 L466 P467A345-F503 CarbonylContact C-O 3.56Å; A345-F503 VanDerWaalsContact CA-O 3.31Å; A345-F503 WeakPolarHBondContact CA-O 3.49Å; V346-F503 PolarHBondContact N-O 3.24Å; V346-F503 PolarHBondContact O-N 2.95Å; P349-F503 HydrophobicContact CB-CD2 3.74Å; P349-F503 HydrophobicContact CB-CE2 4.07Å; P349-F503 HydrophobicContact CG-CD2 3.83Å; P349-F503 HydrophobicContact CG-CE2 3.91Å; W387-F503 AromaticContact CD1-CD2 3.74Å; W387-F503 AromaticContact CD1-CG 3.8Å; W387-F503 HydrophobicContact CD2-CD2 4.02Å; W387-F503 HydrophobicContact CD2-CE2 4.06Å; W387-F503 AromaticContact CE2-CE2 3.73Å; W387-F503 AromaticContact CG-CD2 3.87Å; W387-F503 HydrophobicContact CG-CD2 3.87Å; W387-F503 HydrophobicContact CG-CE2 4.36Å; W387-F503 HydrophobicContact CG-CG 4.3Å; W387-F503 HydrophobicContact CZ2-CE2 4.07Å; W387-F503 HydrophobicContact CZ2-CZ 4.28Å; W387-F503 AromaticContact NE1-CD2 3.82Å; W387-F503 AromaticContact NE1-CE2 3.8Å; W387-F503 AromaticContact NE1-CZ 3.98Å; V460-F503 HydrophobicContact CG2-CB 3.75Å; A465-F503 HydrophobicContact CB-CB 3.89Å; A465-F503 HydrophobicContact CB-CD1 3.92Å; A465-F503 HydrophobicContact CB-CG 4.23Å; L466-F503 WeakPolarHBondContact O-CA 3.28Å; P467-F503 HydrophobicContact CB-CE1 4.29Å; P467-F503 HydrophobicContact CG-CE1 4.16Å
504A97.9Very high95.7Very high0 Ų059.2 Ų59.20%033%0.333CS..EExtended strand (participates in β ladder)trans-114.3155.6-179.200000111.1A345 A465 L466 V468 L508A345-A504 HydrophobicContact CB-CB 4.18Å; A465-A504 WeakPolarHBondContact CA-O 3.11Å; L466-A504 HydrophobicContact CB-CB 4.45Å; L466-A504 PolarHBondContact N-O 2.75Å; L466-A504 PolarHBondContact O-N 2.95Å; V468-A504 HydrophobicContact CG1-CB 3.74Å; V468-A504 HydrophobicContact CG2-CB 3.93Å; A504-L508 HydrophobicContact CB-CB 4.44Å; A504-L508 HydrophobicContact CB-CD1 3.74Å
505E97.4Very high95.5Very high1 Ų160.2 Ų60.21%0.00533%0.326CS..  trans-63.6149.4171.862.2169-101.300111.5A343 M344 R378 V380 V460 S507 L508A343-E505 WeakPolarHBondContact CA-OE2 3.24Å; A343-E505 HydrophobicContact CB-CG 4.23Å; M344-E505 PolarHBondContact N-OE2 3.37Å; M344-E505 WeakPolarHBondContact O-CG 3.47Å; M344-E505 PolarHBondContact O-N 2.96Å; R378-E505 WeakPolarHBondContact CD-OE1 3.17Å; R378-E505 IonicContact CZ-OE1 3.23Å; R378-E505 IonicContact CZ-OE2 3.58Å; R378-E505 VanDerWaalsContact NE-CD 3.28Å; R378-E505 IonicContact NE-OE1 2.72Å; R378-E505 PolarHBondContact NE-OE1 2.86Å; R378-E505 IonicContact NE-OE2 2.65Å; R378-E505 PolarHBondContact NE-OE2 3.11Å; R378-E505 VanDerWaalsContact NE-OE2 3.13Å; R378-E505 IonicContact NH2-OE1 3.64Å; R378-E505 IonicContact NH2-OE2 3.43Å; R378-E505 PolarHBondContact NH2-OE2 3.19Å; V380-E505 HydrophobicContact CG1-CB 4.49Å; V460-E505 HydrophobicContact CG1-CB 4.29Å; E505-S507 PolarHBondContact O-N 2.93Å; E505-S507 VanDerWaalsContact O-N 3.09Å; E505-S507 WeakPolarHBondContact OE1-CB 3.22Å; E505-S507 PolarHBondContact OE1-OG 2.98Å; E505-L508 HydrophobicContact CG-CD1 4.15Å; E505-L508 HydrophobicContact CG-CG 4.32Å; E505-L508 PolarHBondContact O-N 2.65Å; E505-L508 VanDerWaalsContact O-N 3.14Å
506P95.7Very high95.4Very high50 Ų5054.5 Ų54.533%0.32530%0.301SS..G310 helixtrans-60.8-26-171.7-16.922.9000114.8P381 H464 L508 K509P381-P506 HydrophobicContact CG-CG 3.7Å; H464-P506 HydrophobicContact CB-CG 4.11Å; H464-P506 WeakPolarHBondContact O-CG 3.38Å; P506-L508 PolarHBondContact O-N 2.76Å; P506-L508 VanDerWaalsContact O-N 3.13Å; P506-K509 VanDerWaalsContact O-CB 3.3Å; P506-K509 WeakPolarHBondContact O-CB 3.06Å; P506-K509 PolarHBondContact O-N 2.83Å
507S94.6Very high95.5Very high42 Ų4255.9 Ų55.929%0.29431%0.306SS..G310 helixtrans-60-23.2-18074.60000112.8E505 K509 D510E505-S507 PolarHBondContact O-N 2.93Å; E505-S507 VanDerWaalsContact O-N 3.09Å; E505-S507 WeakPolarHBondContact OE1-CB 3.22Å; E505-S507 PolarHBondContact OE1-OG 2.98Å; S507-K509 PolarHBondContact O-N 3.18Å; S507-D510 PolarHBondContact O-N 3.03Å
508L96Very high95.5Very high2 Ų254.7 Ų54.71%0.0130%0.299CS..G310 helixtrans-76.1-4.9179-72.4168.8000113.5A343 A504 E505 P506 D510 A511 F517 F519 F539A343-L508 HydrophobicContact CB-CD1 3.82Å; A343-L508 HydrophobicContact CB-CD2 3.98Å; A343-L508 HydrophobicContact CB-CG 4.04Å; A504-L508 HydrophobicContact CB-CB 4.44Å; A504-L508 HydrophobicContact CB-CD1 3.74Å; E505-L508 HydrophobicContact CG-CD1 4.15Å; E505-L508 HydrophobicContact CG-CG 4.32Å; E505-L508 PolarHBondContact O-N 2.65Å; E505-L508 VanDerWaalsContact O-N 3.14Å; P506-L508 PolarHBondContact O-N 2.76Å; P506-L508 VanDerWaalsContact O-N 3.13Å; L508-D510 PolarHBondContact O-N 2.85Å; L508-A511 WeakPolarHBondContact O-CB 3.34Å; L508-A511 PolarHBondContact O-N 3.17Å; L508-F517 HydrophobicContact CD2-CB 4.42Å; L508-F517 HydrophobicContact CD2-CD1 3.61Å; L508-F517 HydrophobicContact CD2-CD2 3.79Å; L508-F517 HydrophobicContact CD2-CE1 3.69Å; L508-F517 HydrophobicContact CD2-CE2 3.87Å; L508-F517 HydrophobicContact CD2-CG 3.67Å; L508-F517 HydrophobicContact CD2-CZ 3.83Å; L508-F519 HydrophobicContact CD1-CD1 4.43Å; L508-F519 HydrophobicContact CD1-CE1 3.54Å; L508-F519 HydrophobicContact CD1-CZ 3.87Å; L508-F519 HydrophobicContact CD2-CE1 4.14Å; L508-F539 HydrophobicContact CB-CZ 4.07Å; L508-F539 HydrophobicContact CD2-CE1 4.37Å; L508-F539 HydrophobicContact CD2-CZ 4.3Å
509K93.3Very high95.5Very high147 Ų14752.1 Ų52.164%0.63928%0.284SS*.G310 helixtrans-60.6-31.6170.8-172.3178.2179.6-1790112.1L466 P506 S507 A511L466-K509 HydrophobicContact CD2-CB 4.14Å; P506-K509 VanDerWaalsContact O-CB 3.3Å; P506-K509 WeakPolarHBondContact O-CB 3.06Å; P506-K509 PolarHBondContact O-N 2.83Å; S507-K509 PolarHBondContact O-N 3.18Å; K509-A511 VanDerWaalsContact C-N 3.31Å
510D91.1Very high95.4Very high135 Ų13549 Ų4972%0.72227%0.268SS*.G310 helixtrans-94.215.7-179.9-56.2-42.6000112.5S507 L508S507-D510 PolarHBondContact O-N 3.03Å; L508-D510 PolarHBondContact O-N 2.85Å
511A94.8Very high95.3Very high14 Ų1449.4 Ų49.412%0.11627%0.267CS..  trans-61.9144.8176.700000111.3L508 K509 F517 L527 F539L508-A511 WeakPolarHBondContact O-CB 3.34Å; L508-A511 PolarHBondContact O-N 3.17Å; K509-A511 VanDerWaalsContact C-N 3.31Å; A511-F517 HydrophobicContact CB-CE2 3.79Å; A511-F517 HydrophobicContact CB-CZ 4.23Å; A511-L527 HydrophobicContact CB-CB 4.35Å; A511-L527 HydrophobicContact CB-CD1 4.39Å; A511-L527 HydrophobicContact CB-CD2 4.42Å; A511-L527 WeakPolarHBondContact O-CD2 3.49Å; A511-F539 HydrophobicContact CB-CE1 4.09Å; A511-F539 HydrophobicContact CB-CZ 4.01Å
512V94.1Very high95.2Very high81 Ų8146.5 Ų46.549%0.49125%0.253SS..  trans-111.7135.1179.4-1790000109.3G514 K515V512-G514 PolarHBondContact O-N 2.85Å; V512-K515 HydrophobicContact CB-CD 4.25Å; V512-K515 HydrophobicContact CB-CG 4.35Å; V512-K515 PolarHBondContact O-N 2.91Å
513A92.3Very high95.2Very high47 Ų4746.3 Ų46.339%0.38825%0.252SS..BIsolated β-bridgetrans-52.4137.1176.400000111.7K515A513-K515 PolarHBondContact O-N 2.98Å
514G83.8Confident95.2Very high49 Ų4944.6 Ų44.651%0.50524%0.244SC..THydrogen-bonded Turntrans75.7-8.4-177.700000115.8V512V512-G514 PolarHBondContact O-N 2.85Å
515K92.5Very high95.3Very high140 Ų14044.6 Ų44.661%0.60924%0.244SC*.  trans-92.4121168.6-65-165.4178.4-177.90109.8V512 A513V512-K515 HydrophobicContact CB-CD 4.25Å; V512-K515 HydrophobicContact CB-CG 4.35Å; V512-K515 PolarHBondContact O-N 2.91Å; A513-K515 PolarHBondContact O-N 2.98Å
516A96Very high95.3Very high11 Ų1144.6 Ų44.69%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-88.2152.2-176.900000112.5L336 P341 F525 C526L336-A516 HydrophobicContact CD1-CB 3.92Å; L336-A516 HydrophobicContact CD2-CB 3.77Å; L336-A516 HydrophobicContact CG-CB 4.47Å; P341-A516 WeakPolarHBondContact CD-O 3.22Å; A516-F525 CarbonylContact C-O 3.55Å; A516-F525 WeakPolarHBondContact CA-O 3.41Å; A516-C526 HydrophobicContact CB-CB 4.43Å
517F98.1Very high95.4Very high33 Ų3343.3 Ų43.315%0.14523%0.234CC..EExtended strand (participates in β ladder)trans-120.5147.6169.6-66.2-99.3000108.6P341 A343 L508 A511 F519 Y524 F525P341-F517 HydrophobicContact CB-CD1 4.27Å; P341-F517 HydrophobicContact CB-CE1 4.43Å; P341-F517 HydrophobicContact CG-CD1 3.58Å; P341-F517 HydrophobicContact CG-CE1 3.64Å; P341-F517 HydrophobicContact CG-CG 4.34Å; P341-F517 HydrophobicContact CG-CZ 4.44Å; P341-F517 CarbonylContact O-C 3.5Å; P341-F517 VanDerWaalsContact O-CA 3.27Å; P341-F517 WeakPolarHBondContact O-CA 3.45Å; A343-F517 HydrophobicContact CB-CD1 4.13Å; L508-F517 HydrophobicContact CD2-CB 4.42Å; L508-F517 HydrophobicContact CD2-CD1 3.61Å; L508-F517 HydrophobicContact CD2-CD2 3.79Å; L508-F517 HydrophobicContact CD2-CE1 3.69Å; L508-F517 HydrophobicContact CD2-CE2 3.87Å; L508-F517 HydrophobicContact CD2-CG 3.67Å; L508-F517 HydrophobicContact CD2-CZ 3.83Å; A511-F517 HydrophobicContact CB-CE2 3.79Å; A511-F517 HydrophobicContact CB-CZ 4.23Å; F517-F519 HydrophobicContact CB-CD1 4.13Å; F517-F519 HydrophobicContact CB-CE1 3.99Å; F517-Y524 CarbonylContact O-C 3.6Å; F517-Y524 WeakPolarHBondContact O-CA 3.31Å; F517-F525 PolarHBondContact N-O 2.85Å; F517-F525 PolarHBondContact O-N 3.08Å
518Q98.4Very high95.6Very high19 Ų1941.4 Ų41.49%0.08922%0.221CC..EExtended strand (participates in β ladder)trans-85.2112.2161.4-167.3-166.9-45.900108.5P341 R342 A343 E520 G523 Y524 L545P341-Q518 PolarHBondContact O-N 3.23Å; R342-Q518 WeakPolarHBondContact CA-O 3.46Å; R342-Q518 HydrophobicContact CG-CB 4.07Å; A343-Q518 PolarHBondContact N-O 2.56Å; Q518-E520 PolarHBondContact O-N 2.82Å; Q518-G523 CarbonylContact C-O 3.55Å; Q518-G523 WeakPolarHBondContact CA-O 3.41Å; Q518-Y524 HydrophobicContact CB-CD1 3.72Å; Q518-Y524 HydrophobicContact CB-CE1 3.62Å; Q518-Y524 HydrophobicContact CG-CD1 3.94Å; Q518-Y524 HydrophobicContact CG-CE1 3.69Å; Q518-L545 HydrophobicContact CG-CD2 3.93Å
519F98.3Very high95.6Very high0 Ų045.1 Ų45.10%025%0.247CC..EExtended strand (participates in β ladder)trans-75116.2165.9-68.5-2.7000108A343 A345 L508 F517 R521 E522 G523 F525 F539A343-F519 HydrophobicContact CB-CD1 4.34Å; A343-F519 HydrophobicContact CB-CE1 4.47Å; A343-F519 WeakPolarHBondContact O-CA 3.29Å; A345-F519 HydrophobicContact CB-CB 4.46Å; A345-F519 HydrophobicContact CB-CD1 4.28Å; A345-F519 HydrophobicContact CB-CD2 3.42Å; A345-F519 VanDerWaalsContact CB-CD2 3.42Å; A345-F519 HydrophobicContact CB-CE1 4.38Å; A345-F519 HydrophobicContact CB-CE2 3.52Å; A345-F519 HydrophobicContact CB-CG 3.82Å; A345-F519 HydrophobicContact CB-CZ 4.02Å; L508-F519 HydrophobicContact CD1-CD1 4.43Å; L508-F519 HydrophobicContact CD1-CE1 3.54Å; L508-F519 HydrophobicContact CD1-CZ 3.87Å; L508-F519 HydrophobicContact CD2-CE1 4.14Å; F517-F519 HydrophobicContact CB-CD1 4.13Å; F517-F519 HydrophobicContact CB-CE1 3.99Å; F519-R521 PolarHBondContact O-N 3.02Å; F519-E522 HydrophobicContact CB-CB 4.09Å; F519-E522 PolarHBondContact O-N 3.33Å; F519-G523 PolarHBondContact N-O 2.85Å; F519-G523 PolarHBondContact O-N 2.88Å; F519-F525 HydrophobicContact CB-CD2 3.62Å; F519-F525 HydrophobicContact CB-CE2 3.76Å; F519-F525 HydrophobicContact CD1-CB 4.37Å; F519-F525 HydrophobicContact CD1-CD2 4.26Å; F519-F525 HydrophobicContact CD2-CB 3.99Å; F519-F525 AromaticContact CD2-CD1 3.98Å; F519-F525 HydrophobicContact CD2-CD1 3.98Å; F519-F525 AromaticContact CD2-CD2 3.31Å; F519-F525 HydrophobicContact CD2-CD2 3.31Å; F519-F525 HydrophobicContact CD2-CE1 4.29Å; F519-F525 AromaticContact CD2-CE2 3.69Å; F519-F525 HydrophobicContact CD2-CE2 3.69Å; F519-F525 AromaticContact CD2-CG 3.49Å; F519-F525 HydrophobicContact CD2-CG 3.49Å; F519-F525 VanDerWaalsContact CD2-CG 3.49Å; F519-F525 HydrophobicContact CD2-CZ 4.16Å; F519-F525 HydrophobicContact CE1-CB 4.21Å; F519-F525 HydrophobicContact CE2-CB 3.84Å; F519-F525 HydrophobicContact CE2-CD1 4.02Å; F519-F525 HydrophobicContact CE2-CD2 4.03Å; F519-F525 AromaticContact CE2-CG 3.7Å; F519-F525 HydrophobicContact CE2-CG 3.7Å; F519-F525 HydrophobicContact CG-CB 4.27Å; F519-F525 AromaticContact CG-CD2 3.46Å; F519-F525 HydrophobicContact CG-CD2 3.46Å; F519-F525 VanDerWaalsContact CG-CD2 3.46Å; F519-F525 AromaticContact CG-CE2 3.98Å; F519-F525 HydrophobicContact CG-CE2 3.98Å; F519-F525 AromaticContact CG-CG 3.97Å; F519-F525 HydrophobicContact CG-CG 3.97Å; F519-F525 HydrophobicContact CZ-CB 3.96Å; F519-F525 HydrophobicContact CZ-CG 4.33Å; F519-F539 HydrophobicContact CE2-CB 4.26Å; F519-F539 HydrophobicContact CE2-CG 4.27Å; F519-F539 HydrophobicContact CZ-CB 4.3Å; F519-F539 AromaticContact CZ-CD1 3.76Å; F519-F539 HydrophobicContact CZ-CD1 3.76Å; F519-F539 HydrophobicContact CZ-CD2 4.27Å; F519-F539 HydrophobicContact CZ-CE1 4.12Å; F519-F539 AromaticContact CZ-CG 3.85Å; F519-F539 HydrophobicContact CZ-CG 3.85Å
520E96.4Very high95.6Very high22 Ų2244.6 Ų44.610%0.10324%0.241CC..THydrogen-bonded Turntrans-52.5120.3-172-75.5-87.4-144.900111.4R342 A343 M344 R413 H458 Q518 E522R342-E520 HydrophobicContact CB-CG 4.36Å; A343-E520 PolarHBondContact O-N 2.82Å; M344-E520 HydrophobicContact CG-CB 4.48Å; M344-E520 HydrophobicContact CG-CG 4.43Å; R413-E520 IonicContact CZ-OE1 3.24Å; R413-E520 VanDerWaalsContact CZ-OE1 3.27Å; R413-E520 IonicContact CZ-OE2 3.96Å; R413-E520 IonicContact NE-OE1 3.03Å; R413-E520 PolarHBondContact NE-OE1 3.29Å; R413-E520 IonicContact NE-OE2 3.15Å; R413-E520 IonicContact NH2-OE1 2.67Å; R413-E520 PolarHBondContact NH2-OE1 2.67Å; R413-E520 IonicContact NH2-OE2 3.55Å; R413-E520 PolarHBondContact NH2-OE2 2.94Å; H458-E520 HydrophobicContact CB-CB 4.19Å; H458-E520 PolarHBondContact ND1-O 3.49Å; Q518-E520 PolarHBondContact O-N 2.82Å; E520-E522 PolarHBondContact O-N 2.94Å
521R95.3Very high95.9Very high81 Ų8141.6 Ų41.631%0.30622%0.222SC..THydrogen-bonded Turntrans72.1-8.5-176.5-57.7176.148.8-126.5-7.9117.4D392 F519 L545D392-R521 VanDerWaalsContact CG-NH1 3.27Å; D392-R521 IonicContact OD1-CZ 2.65Å; D392-R521 IonicContact OD1-NH1 3.47Å; D392-R521 PolarHBondContact OD1-NH1 3.03Å; D392-R521 IonicContact OD1-NH2 2.95Å; D392-R521 PolarHBondContact OD1-NH2 3.22Å; D392-R521 IonicContact OD2-CZ 2.97Å; D392-R521 IonicContact OD2-NH1 3.69Å; D392-R521 PolarHBondContact OD2-NH1 3.3Å; D392-R521 IonicContact OD2-NH2 2.84Å; F519-R521 PolarHBondContact O-N 3.02Å; R521-L545 VanDerWaalsContact CA-CD1 3.49Å; R521-L545 WeakPolarHBondContact O-CD1 3.49Å
522E97.2Very high95.9Very high52 Ų5242.1 Ų42.124%0.24323%0.225CC..THydrogen-bonded Turntrans-99.1-48.4-176.5-63.8-51.4128.600113.2I347 H458 F519 E520 F525I347-E522 HydrophobicContact CD1-CB 3.79Å; I347-E522 HydrophobicContact CD1-CG 3.68Å; I347-E522 WeakPolarHBondContact CD1-OE2 3.46Å; I347-E522 HydrophobicContact CG1-CG 4.05Å; H458-E522 IonicContact CE1-OE1 2.92Å; H458-E522 PolarHBondContact CE1-OE1 2.82Å; H458-E522 VanDerWaalsContact CE1-OE1 3.3Å; H458-E522 IonicContact ND1-OE1 2.64Å; F519-E522 HydrophobicContact CB-CB 4.09Å; F519-E522 PolarHBondContact O-N 3.33Å; E520-E522 PolarHBondContact O-N 2.94Å; E522-F525 HydrophobicContact CB-CE2 3.92Å; E522-F525 HydrophobicContact CB-CZ 4.28Å
523G97.7Very high95.9Very high0 Ų041.7 Ų41.70%022%0.223CC..EExtended strand (participates in β ladder)trans156.1-166.5-173.600000112.7Q518 F519Q518-G523 CarbonylContact C-O 3.55Å; Q518-G523 WeakPolarHBondContact CA-O 3.41Å; F519-G523 PolarHBondContact N-O 2.85Å; F519-G523 PolarHBondContact O-N 2.88Å
524Y98.6Very high95.7Very high10 Ų1043.1 Ų43.14%0.03924%0.235CC..EExtended strand (participates in β ladder)trans-103.4136.2172-60.1-85.8000110.2R333 L336 N337 A340 F517 Q518 R541 T542 V543 L545R333-Y524 HydrophobicContact CG-CE2 4.38Å; L336-Y524 HydrophobicContact CB-CD1 3.43Å; L336-Y524 VanDerWaalsContact CB-CD1 3.43Å; L336-Y524 HydrophobicContact CB-CD2 4.39Å; L336-Y524 HydrophobicContact CB-CE1 3.59Å; L336-Y524 HydrophobicContact CB-CG 3.85Å; L336-Y524 VanDerWaalsContact CD1-CB 3.49Å; L336-Y524 HydrophobicContact CD1-CD1 4.03Å; L336-Y524 HydrophobicContact CD1-CG 3.77Å; L336-Y524 HydrophobicContact CG-CD1 4.37Å; L336-Y524 HydrophobicContact CG-CG 4.49Å; N337-Y524 WeakPolarHBondContact CA-OH 3.38Å; N337-Y524 WeakPolarHBondContact CB-OH 3.43Å; N337-Y524 PolarHBondContact N-OH 2.74Å; A340-Y524 HydrophobicContact CB-CD1 4.06Å; A340-Y524 HydrophobicContact CB-CE1 4.24Å; F517-Y524 CarbonylContact O-C 3.6Å; F517-Y524 WeakPolarHBondContact O-CA 3.31Å; Q518-Y524 HydrophobicContact CB-CD1 3.72Å; Q518-Y524 HydrophobicContact CB-CE1 3.62Å; Q518-Y524 HydrophobicContact CG-CD1 3.94Å; Q518-Y524 HydrophobicContact CG-CE1 3.69Å; Y524-R541 CarbonylContact O-C 3.57Å; Y524-T542 PolarHBondContact O-N 3.41Å; Y524-V543 HydrophobicContact CD2-CG1 3.72Å; Y524-V543 HydrophobicContact CG-CG1 4.42Å; Y524-V543 PolarHBondContact N-O 3.28Å; Y524-L545 HydrophobicContact CE2-CD2 4.11Å
525F98.6Very high96Very high0 Ų048.6 Ų48.60%025%0.247CC..EExtended strand (participates in β ladder)trans-136.3142.9-172.4-66.8-100.5000110.8I347 I470 L472 A516 F517 F519 E522 F539 N540 R541I347-F525 HydrophobicContact CD1-CE1 4.47Å; I347-F525 HydrophobicContact CD1-CZ 3.86Å; I470-F525 HydrophobicContact CG2-CD1 4.14Å; I470-F525 HydrophobicContact CG2-CE1 3.57Å; I470-F525 HydrophobicContact CG2-CZ 4.46Å; L472-F525 HydrophobicContact CD2-CE1 4.06Å; L472-F525 HydrophobicContact CD2-CZ 4.22Å; A516-F525 CarbonylContact C-O 3.55Å; A516-F525 WeakPolarHBondContact CA-O 3.41Å; F517-F525 PolarHBondContact N-O 2.85Å; F517-F525 PolarHBondContact O-N 3.08Å; F519-F525 HydrophobicContact CB-CD2 3.62Å; F519-F525 HydrophobicContact CB-CE2 3.76Å; F519-F525 HydrophobicContact CD1-CB 4.37Å; F519-F525 HydrophobicContact CD1-CD2 4.26Å; F519-F525 HydrophobicContact CD2-CB 3.99Å; F519-F525 AromaticContact CD2-CD1 3.98Å; F519-F525 HydrophobicContact CD2-CD1 3.98Å; F519-F525 AromaticContact CD2-CD2 3.31Å; F519-F525 HydrophobicContact CD2-CD2 3.31Å; F519-F525 HydrophobicContact CD2-CE1 4.29Å; F519-F525 AromaticContact CD2-CE2 3.69Å; F519-F525 HydrophobicContact CD2-CE2 3.69Å; F519-F525 AromaticContact CD2-CG 3.49Å; F519-F525 HydrophobicContact CD2-CG 3.49Å; F519-F525 VanDerWaalsContact CD2-CG 3.49Å; F519-F525 HydrophobicContact CD2-CZ 4.16Å; F519-F525 HydrophobicContact CE1-CB 4.21Å; F519-F525 HydrophobicContact CE2-CB 3.84Å; F519-F525 HydrophobicContact CE2-CD1 4.02Å; F519-F525 HydrophobicContact CE2-CD2 4.03Å; F519-F525 AromaticContact CE2-CG 3.7Å; F519-F525 HydrophobicContact CE2-CG 3.7Å; F519-F525 HydrophobicContact CG-CB 4.27Å; F519-F525 AromaticContact CG-CD2 3.46Å; F519-F525 HydrophobicContact CG-CD2 3.46Å; F519-F525 VanDerWaalsContact CG-CD2 3.46Å; F519-F525 AromaticContact CG-CE2 3.98Å; F519-F525 HydrophobicContact CG-CE2 3.98Å; F519-F525 AromaticContact CG-CG 3.97Å; F519-F525 HydrophobicContact CG-CG 3.97Å; F519-F525 HydrophobicContact CZ-CB 3.96Å; F519-F525 HydrophobicContact CZ-CG 4.33Å; E522-F525 HydrophobicContact CB-CE2 3.92Å; E522-F525 HydrophobicContact CB-CZ 4.28Å; F525-F539 HydrophobicContact CB-CB 4.46Å; F525-F539 HydrophobicContact CD1-CB 4.45Å; F525-N540 CarbonylContact C-O 3.54Å; F525-N540 WeakPolarHBondContact CA-O 3.47Å; F525-R541 VanDerWaalsContact CD1-CA 3.48Å; F525-R541 HydrophobicContact CD1-CB 3.88Å; F525-R541 HydrophobicContact CD1-CG 4.41Å; F525-R541 HydrophobicContact CE1-CB 3.46Å; F525-R541 VanDerWaalsContact CE1-CB 3.46Å; F525-R541 HydrophobicContact CE1-CG 3.86Å; F525-R541 HydrophobicContact CE2-CG 4.31Å; F525-R541 HydrophobicContact CZ-CB 3.95Å; F525-R541 HydrophobicContact CZ-CG 3.8Å
526C98.1Very high96Very high1 Ų146.6 Ų46.61%0.00724%0.239CC..EExtended strand (participates in β ladder)trans-122.1151.6171.669.30000110.6R300 G301 A516 D528 F539 N540R300-C526 PolarHBondContact O-SG 3.13Å; G301-C526 VanDerWaalsContact CA-SG 3.54Å; A516-C526 HydrophobicContact CB-CB 4.43Å; C526-D528 PolarHBondContact O-N 2.93Å; C526-F539 CarbonylContact O-C 3.53Å; C526-F539 WeakPolarHBondContact O-CA 3.24Å; C526-N540 PolarHBondContact N-O 2.83Å; C526-N540 PolarHBondContact O-N 3.42Å
527L98Very high96Very high24 Ų2446.4 Ų46.413%0.12624%0.236CC..EExtended strand (participates in β ladder)trans-65.6125.2169.5-167.179.1000108.9A511 S532 P537 F539A511-L527 HydrophobicContact CB-CB 4.35Å; A511-L527 HydrophobicContact CB-CD1 4.39Å; A511-L527 HydrophobicContact CB-CD2 4.42Å; A511-L527 WeakPolarHBondContact O-CD2 3.49Å; L527-S532 WeakPolarHBondContact CD1-OG 3.46Å; L527-S532 WeakPolarHBondContact CG-OG 3.36Å; L527-P537 HydrophobicContact CD1-CB 4.01Å; L527-F539 HydrophobicContact CB-CD1 4.49Å; L527-F539 HydrophobicContact CB-CE1 4.17Å; L527-F539 HydrophobicContact CD1-CD1 4.36Å; L527-F539 HydrophobicContact CD1-CD2 4.47Å; L527-F539 HydrophobicContact CD1-CE1 3.88Å; L527-F539 HydrophobicContact CD1-CE2 3.99Å; L527-F539 HydrophobicContact CD1-CZ 3.67Å
528D98Very high96Very high2 Ų244.9 Ų44.91%0.01123%0.23CC..  trans-67132.9-179.7-179.6-94.1000110.4R299 C526 R530 H531 S532 V538 N540R299-D528 IonicContact CZ-OD2 3.71Å; R299-D528 IonicContact NE-OD1 2.99Å; R299-D528 IonicContact NE-OD2 3.04Å; R299-D528 PolarHBondContact NE-OD2 3.33Å; R299-D528 IonicContact NH2-OD1 2.73Å; R299-D528 IonicContact NH2-OD2 3.59Å; R299-D528 PolarHBondContact NH2-OD2 3.08Å; C526-D528 PolarHBondContact O-N 2.93Å; D528-R530 VanDerWaalsContact C-N 3.29Å; D528-R530 PolarHBondContact O-N 3.12Å; D528-R530 WeakPolarHBondContact OD1-CA 3.2Å; D528-R530 WeakPolarHBondContact OD1-CB 3.14Å; D528-R530 PolarHBondContact OD1-N 2.69Å; D528-H531 IonicContact OD1-CD2 3.29Å; D528-H531 PolarHBondContact OD1-CD2 2.92Å; D528-H531 IonicContact OD1-CG 3.69Å; D528-H531 PolarHBondContact OD1-N 2.84Å; D528-S532 WeakPolarHBondContact O-CB 3.41Å; D528-V538 HydrophobicContact CB-CB 4.17Å; D528-V538 HydrophobicContact CB-CG1 4.04Å; D528-V538 PolarHBondContact N-O 3.27Å; D528-N540 PolarHBondContact OD2-ND2 3.08Å
529S95.9Very high96Very high80 Ų8044 Ų4456%0.55923%0.225SC*.THydrogen-bonded Turntrans-80.3-5.2-175.658.80000114.5
530R95.2Very high96Very high136 Ų13644 Ų4451%0.51323%0.225SC..THydrogen-bonded Turntrans-116.3-44.5-170.2-172.4172.1-174.9171-4.3113.7D287 R299 D528D287-R530 VanDerWaalsContact CG-NH1 3.32Å; D287-R530 IonicContact OD1-CZ 3.67Å; D287-R530 IonicContact OD1-NH1 2.78Å; D287-R530 PolarHBondContact OD1-NH1 3.04Å; D287-R530 IonicContact OD2-NH1 2.88Å; D287-R530 PolarHBondContact OD2-NH1 3.5Å; D287-R530 VanDerWaalsContact OD2-NH1 3.12Å; R299-R530 VanDerWaalsContact NH1-CD 3.34Å; D528-R530 VanDerWaalsContact C-N 3.29Å; D528-R530 PolarHBondContact O-N 3.12Å; D528-R530 WeakPolarHBondContact OD1-CA 3.2Å; D528-R530 WeakPolarHBondContact OD1-CB 3.14Å; D528-R530 PolarHBondContact OD1-N 2.69Å
531H95.6Very high96.1Very high71 Ų7145.5 Ų45.533%0.32923%0.23SC..THydrogen-bonded Turntrans-105.6-16.1-173.9-62.8-90.2000113E284 R299 R471 D528 V538E284-H531 IonicContact OE2-CD2 2.75Å; E284-H531 IonicContact OE2-CE1 3.1Å; E284-H531 IonicContact OE2-NE2 2.77Å; E284-H531 PolarHBondContact OE2-NE2 2.87Å; R299-H531 PolarHBondContact NH2-CD2 3.49Å; R299-H531 PolarHBondContact NH2-NE2 2.99Å; R471-H531 PolarHBondContact NH1-CD2 2.92Å; R471-H531 PolarHBondContact NH1-NE2 2.96Å; R471-H531 PolarHBondContact NH2-CD2 2.82Å; R471-H531 PolarHBondContact NH2-ND1 3.38Å; D528-H531 IonicContact OD1-CD2 3.29Å; D528-H531 PolarHBondContact OD1-CD2 2.92Å; D528-H531 IonicContact OD1-CG 3.69Å; D528-H531 PolarHBondContact OD1-N 2.84Å; H531-V538 HydrophobicContact CB-CG1 4.5Å; H531-V538 HydrophobicContact CB-CG2 4.14Å; H531-V538 WeakPolarHBondContact O-CG2 3.41Å
532S95.6Very high96.3Very high26 Ų2641.7 Ų41.718%0.18222%0.216CC..  trans-72.3139178.3-1640000111.5L527 D528 P537 V538L527-S532 WeakPolarHBondContact CD1-OG 3.46Å; L527-S532 WeakPolarHBondContact CG-OG 3.36Å; D528-S532 WeakPolarHBondContact O-CB 3.41Å; S532-P537 WeakPolarHBondContact OG-CA 3.26Å; S532-V538 PolarHBondContact OG-N 2.95Å
533T93.4Very high96.3Very high72 Ų7239.5 Ų39.544%0.44221%0.206SC..  trans-132167.417458.80000109.5E535 K536T533-E535 PolarHBondContact O-N 3.48Å; T533-K536 PolarHBondContact N-O 3.33Å; T533-K536 CarbonylContact O-C 3.45Å; T533-K536 VanDerWaalsContact O-C 3.25Å; T533-K536 PolarHBondContact O-N 3.2Å; T533-K536 WeakPolarHBondContact OG1-CB 3.21Å; T533-K536 PolarHBondContact OG1-N 3.44Å; T533-K536 PolarHBondContact OG1-O 3.24Å
534A89Confident96.2Very high77 Ų7740.3 Ų40.364%0.63622%0.215SC*.SBendtrans-63.4-32.4179.600000112.4
535E89.2Confident96Very high163 Ų16342.8 Ų42.876%0.76223%0.228SC*.SBendtrans-88.6-29-179.6-59.175.3-165.300112.7T533T533-E535 PolarHBondContact O-N 3.48Å
536K92.7Very high95.7Very high99 Ų9952.6 Ų52.643%0.4327%0.265SS..SBendtrans-130.283.4179.1-169.8-173.2174.6-163.20109.8E469 T533 V538E469-K536 WeakPolarHBondContact OE2-CE 3.46Å; E469-K536 IonicContact OE2-NZ 3.34Å; E469-K536 PolarHBondContact OE2-NZ 2.8Å; T533-K536 PolarHBondContact N-O 3.33Å; T533-K536 CarbonylContact O-C 3.45Å; T533-K536 VanDerWaalsContact O-C 3.25Å; T533-K536 PolarHBondContact O-N 3.2Å; T533-K536 WeakPolarHBondContact OG1-CB 3.21Å; T533-K536 PolarHBondContact OG1-N 3.44Å; T533-K536 PolarHBondContact OG1-O 3.24Å; K536-V538 PolarHBondContact O-N 3.12Å
537P96.8Very high95.2Very high6 Ų655 Ų554%0.03928%0.278CS..  trans-64.7134.8174.9-16.628.7000110.9L466 V468 E469 L527 S532 F539L466-P537 HydrophobicContact CD1-CG 4.25Å; L466-P537 HydrophobicContact CD2-CG 3.81Å; L466-P537 HydrophobicContact CG-CG 4.09Å; V468-P537 HydrophobicContact CG1-CB 4.01Å; V468-P537 HydrophobicContact CG1-CG 4.24Å; E469-P537 PolarHBondContact N-O 3.19Å; E469-P537 VanDerWaalsContact N-O 3.09Å; L527-P537 HydrophobicContact CD1-CB 4.01Å; S532-P537 WeakPolarHBondContact OG-CA 3.26Å; P537-F539 HydrophobicContact CB-CD2 4.39Å; P537-F539 HydrophobicContact CB-CE2 3.76Å
538V98.2Very high94.5Very high1 Ų158.2 Ų58.21%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-117.8124.2176-177.60000108.5E469 R471 D528 H531 S532 K536E469-V538 HydrophobicContact CB-CG1 4.38Å; E469-V538 HydrophobicContact CB-CG2 4.12Å; E469-V538 HydrophobicContact CG-CG1 4.36Å; E469-V538 CarbonylContact O-C 3.59Å; E469-V538 WeakPolarHBondContact O-CA 3.38Å; R471-V538 HydrophobicContact CG-CG1 4.03Å; D528-V538 HydrophobicContact CB-CB 4.17Å; D528-V538 HydrophobicContact CB-CG1 4.04Å; D528-V538 PolarHBondContact N-O 3.27Å; H531-V538 HydrophobicContact CB-CG1 4.5Å; H531-V538 HydrophobicContact CB-CG2 4.14Å; H531-V538 WeakPolarHBondContact O-CG2 3.41Å; S532-V538 PolarHBondContact OG-N 2.95Å; K536-V538 PolarHBondContact O-N 3.12Å
539F98.6Very high93.7Very high0 Ų060 Ų600%031%0.305CS..EExtended strand (participates in β ladder)trans-113.1127.1179.7-72.5-86.4000111.4V468 E469 I470 R471 L508 A511 F519 F525 C526 L527 P537V468-F539 HydrophobicContact CB-CD2 4.18Å; V468-F539 HydrophobicContact CB-CE2 4.48Å; V468-F539 HydrophobicContact CG1-CD2 4.12Å; V468-F539 HydrophobicContact CG1-CE2 3.91Å; E469-F539 PolarHBondContact O-N 2.72Å; I470-F539 WeakPolarHBondContact CA-O 3.39Å; R471-F539 PolarHBondContact N-O 2.77Å; L508-F539 HydrophobicContact CB-CZ 4.07Å; L508-F539 HydrophobicContact CD2-CE1 4.37Å; L508-F539 HydrophobicContact CD2-CZ 4.3Å; A511-F539 HydrophobicContact CB-CE1 4.09Å; A511-F539 HydrophobicContact CB-CZ 4.01Å; F519-F539 HydrophobicContact CE2-CB 4.26Å; F519-F539 HydrophobicContact CE2-CG 4.27Å; F519-F539 HydrophobicContact CZ-CB 4.3Å; F519-F539 AromaticContact CZ-CD1 3.76Å; F519-F539 HydrophobicContact CZ-CD1 3.76Å; F519-F539 HydrophobicContact CZ-CD2 4.27Å; F519-F539 HydrophobicContact CZ-CE1 4.12Å; F519-F539 AromaticContact CZ-CG 3.85Å; F519-F539 HydrophobicContact CZ-CG 3.85Å; F525-F539 HydrophobicContact CB-CB 4.46Å; F525-F539 HydrophobicContact CD1-CB 4.45Å; C526-F539 CarbonylContact O-C 3.53Å; C526-F539 WeakPolarHBondContact O-CA 3.24Å; L527-F539 HydrophobicContact CB-CD1 4.49Å; L527-F539 HydrophobicContact CB-CE1 4.17Å; L527-F539 HydrophobicContact CD1-CD1 4.36Å; L527-F539 HydrophobicContact CD1-CD2 4.47Å; L527-F539 HydrophobicContact CD1-CE1 3.88Å; L527-F539 HydrophobicContact CD1-CE2 3.99Å; L527-F539 HydrophobicContact CD1-CZ 3.67Å; P537-F539 HydrophobicContact CB-CD2 4.39Å; P537-F539 HydrophobicContact CB-CE2 3.76Å
540N98.6Very high92.5Very high0 Ų059.4 Ų59.40%031%0.305CS..EExtended strand (participates in β ladder)trans-92.9130.9174.3-64.3-17.3000109.5R299 Y473 F525 C526 D528 T542R299-N540 PolarHBondContact O-ND2 3.41Å; R299-N540 VanDerWaalsContact O-ND2 3.09Å; Y473-N540 HydrophobicContact CD2-CB 4.05Å; Y473-N540 HydrophobicContact CE2-CB 3.83Å; Y473-N540 WeakPolarHBondContact CE2-OD1 3.25Å; F525-N540 CarbonylContact C-O 3.54Å; F525-N540 WeakPolarHBondContact CA-O 3.47Å; C526-N540 PolarHBondContact N-O 2.83Å; C526-N540 PolarHBondContact O-N 3.42Å; D528-N540 PolarHBondContact OD2-ND2 3.08Å; N540-T542 PolarHBondContact O-N 3.04Å
541R98.4Very high90.5Very high55 Ų5561 Ų6121%0.20832%0.316CS..EExtended strand (participates in β ladder)trans-69.1111.4165.9-170175.167.7179.13.9108.8R471 L472 Y473 D474 Y524 F525R471-R541 PolarHBondContact O-N 3.21Å; L472-R541 HydrophobicContact CD2-CB 4.31Å; Y473-R541 PolarHBondContact O-NE 3.29Å; Y473-R541 PolarHBondContact O-NH2 3.25Å; D474-R541 IonicContact OD2-NH2 2.73Å; Y524-R541 CarbonylContact O-C 3.57Å; F525-R541 VanDerWaalsContact CD1-CA 3.48Å; F525-R541 HydrophobicContact CD1-CB 3.88Å; F525-R541 HydrophobicContact CD1-CG 4.41Å; F525-R541 HydrophobicContact CE1-CB 3.46Å; F525-R541 VanDerWaalsContact CE1-CB 3.46Å; F525-R541 HydrophobicContact CE1-CG 3.86Å; F525-R541 HydrophobicContact CE2-CG 4.31Å; F525-R541 HydrophobicContact CZ-CB 3.95Å; F525-R541 HydrophobicContact CZ-CG 3.8Å
542T98.3Very high88.4Confident0 Ų063 Ų630%033%0.333CS..EExtended strand (participates in β ladder)trans-67.5-55.2173.1-53.60000110.1R300 G301 Y302 I332 L336 Y524 N540R300-T542 PolarHBondContact NE-O 3.47Å; R300-T542 VanDerWaalsContact NE-O 3.1Å; R300-T542 WeakPolarHBondContact O-CA 3.49Å; R300-T542 VanDerWaalsContact O-CB 3.27Å; R300-T542 WeakPolarHBondContact O-CB 3.36Å; R300-T542 WeakPolarHBondContact O-CG2 3.41Å; R300-T542 PolarHBondContact O-OG1 2.75Å; G301-T542 VanDerWaalsContact C-CG2 3.43Å; G301-T542 WeakPolarHBondContact O-CG2 3.45Å; Y302-T542 HydrophobicContact CD2-CG2 4.29Å; I332-T542 HydrophobicContact CD1-CG2 4.36Å; I332-T542 HydrophobicContact CG1-CG2 3.77Å; L336-T542 HydrophobicContact CD1-CG2 4.11Å; Y524-T542 PolarHBondContact O-N 3.41Å; N540-T542 PolarHBondContact O-N 3.04Å
543V97.9Very high85.9Confident6 Ų665.5 Ų65.54%0.03636%0.363CS..EExtended strand (participates in β ladder)trans-158.2147.1-179.670.50000110.5E329 I332 R333 Y524E329-V543 HydrophobicContact CB-CG2 4.05Å; E329-V543 HydrophobicContact CG-CG2 4.28Å; I332-V543 HydrophobicContact CG2-CB 4.16Å; I332-V543 HydrophobicContact CG2-CG1 4.04Å; I332-V543 HydrophobicContact CG2-CG2 4.36Å; R333-V543 HydrophobicContact CG-CB 4.43Å; R333-V543 HydrophobicContact CG-CG1 3.6Å; R333-V543 HydrophobicContact CG-CG2 3.93Å; Y524-V543 HydrophobicContact CD2-CG1 3.72Å; Y524-V543 HydrophobicContact CG-CG1 4.42Å; Y524-V543 PolarHBondContact N-O 3.28Å
544G96.5Very high83Confident18 Ų1873.1 Ų73.119%0.18639%0.394CS..EExtended strand (participates in β ladder)trans-70.6163.9171.600000112.7R333 R546R333-G544 WeakPolarHBondContact CD-O 3.42Å; R333-G544 PolarHBondContact NE-O 2.88Å; G544-R546 PolarHBondContact O-N 2.94Å
545L94.7Very high82.7Confident61 Ų6173 Ų7332%0.31938%0.382SS..SBendtrans-65.3-24.9-177.5-65.1-179.2000114.4Q518 R521 Y524Q518-L545 HydrophobicContact CG-CD2 3.93Å; R521-L545 VanDerWaalsContact CA-CD1 3.49Å; R521-L545 WeakPolarHBondContact O-CD1 3.49Å; Y524-L545 HydrophobicContact CE2-CD2 4.11Å
546R91.8Very high82.4Confident207 Ų20768.2 Ų68.278%0.78136%0.362SS*.SBendtrans-142.7161.6-178.7-60.9-178.1-176.6176.6-0.7109.3G544 T548G544-R546 PolarHBondContact O-N 2.94Å; R546-T548 PolarHBondContact O-N 3.4Å
547D87.1Confident81.8Confident51 Ų5166.5 Ų66.527%0.27336%0.358SS..  trans-73.4123.6170.8-169.5-11.1000110A326 R475 W549 A550A326-D547 VanDerWaalsContact CB-OD2 3.28Å; A326-D547 WeakPolarHBondContact CB-OD2 3.49Å; R475-D547 IonicContact NH2-OD1 4Å; R475-D547 IonicContact NH2-OD2 3.75Å; D547-W549 WeakPolarHBondContact OD1-CB 3.49Å; D547-W549 PolarHBondContact OD1-N 2.84Å; D547-A550 PolarHBondContact OD1-N 2.96Å
548T82.3Confident80.9Confident92 Ų9270.1 Ų70.156%0.56438%0.376SS*.SBendtrans-101.2-16.417749.10000112.8R546R546-T548 PolarHBondContact O-N 3.4Å
549W82.7Confident79.8Confident38 Ų3874.4 Ų74.414%0.14440%0.4CS..G310 helixtrans-81.2-26.7-176.8-7777.3000112.8Y266 D474 R475 D547 K551 V552Y266-W549 HydrophobicContact CD1-CE3 4.32Å; Y266-W549 HydrophobicContact CD1-CH2 4.41Å; Y266-W549 AromaticContact CD1-CZ3 3.87Å; Y266-W549 HydrophobicContact CD1-CZ3 3.87Å; Y266-W549 AromaticContact CE1-CE3 3.68Å; Y266-W549 HydrophobicContact CE1-CE3 3.68Å; Y266-W549 HydrophobicContact CE1-CH2 4.39Å; Y266-W549 AromaticContact CE1-CZ3 3.43Å; Y266-W549 HydrophobicContact CE1-CZ3 3.43Å; Y266-W549 VanDerWaalsContact CE1-CZ3 3.43Å; Y266-W549 AromaticContact CZ-CE3 3.94Å; D474-W549 PolarHBondContact OD1-NE1 3.32Å; R475-W549 HydrophobicContact CB-CH2 4.19Å; R475-W549 HydrophobicContact CB-CZ2 3.72Å; R475-W549 HydrophobicContact CG-CD2 4.49Å; R475-W549 HydrophobicContact CG-CZ2 3.96Å; R475-W549 VanDerWaalsContact CZ-CB 3.48Å; R475-W549 VanDerWaalsContact NH1-CG 3.31Å; D547-W549 WeakPolarHBondContact OD1-CB 3.49Å; D547-W549 PolarHBondContact OD1-N 2.84Å; W549-K551 PolarHBondContact O-N 2.87Å; W549-V552 PolarHBondContact O-N 3.17Å
550A69.2Low78.6Confident68 Ų6879.3 Ų79.356%0.56243%0.426SS*.G310 helixtrans-56.1-20.8173.800000113.5D547D547-A550 PolarHBondContact OD1-N 2.96Å
551K53.5Low77.1Confident171 Ų17185 Ų8574%0.74346%0.457SS*.G310 helixtrans-93.3-9.6178.2-66.9-173.3176.4-173.70114.9W549W549-K551 PolarHBondContact O-N 2.87Å
552V53Low75.5Confident112 Ų11287.3 Ų87.368%0.67948%0.476SS*.THydrogen-bonded Turntrans-94.3-15.8-175.7-175.80000111.1W549W549-V552 PolarHBondContact O-N 3.17Å
553G43Very low73.6Confident79 Ų7994.6 Ų94.681%0.81452%0.516SS*.  trans-96.40.4178.600000115.9
554E31.6Very low71.4Confident232 Ų232102.6 Ų102.6100%1.08456%0.559SS**  trans-98.40164.1-73.9-174.916300109.2

Retrieved 554 of 554 residues in 1346.9 ms (Link to these results)

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