UPPB_SCHMA Loading...

Inactive uridine phosphorylase B

AlphaFold DB , UniProt , Accession G4VGH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene UPPB, Length 296 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
1M42Very low72.2Confident219 Ų219109.9 Ų109.9100%1.07962%0.623SS**  0124.20-67.5-179.8-160.800107.6T3M1-T3 PolarHBondContact O-N 3.16Å
2A42.3Very low74.2Confident98 Ų98102.1 Ų102.181%0.8158%0.578SS**PPolyproline II helixtrans-61.9119175.500000109V4A2-V4 PolarHBondContact O-N 3.21Å
3T51.4Low75.8Confident121 Ų121101.9 Ų101.974%0.74259%0.587SS**PPolyproline II helixtrans-70.2117.6168.636.20000107.3M1 Q5M1-T3 PolarHBondContact O-N 3.16Å; T3-Q5 PolarHBondContact O-N 3.38Å
4V61.5Low77.2Confident68 Ų68104.4 Ų104.441%0.41259%0.591SS.*PPolyproline II helixtrans-62.4123.9171.2178.80000106.7A2 L244A2-V4 PolarHBondContact O-N 3.21Å; V4-L244 HydrophobicContact CG1-CD2 4.17Å
5Q70.1Confident78.6Confident174 Ų174102.8 Ų102.881%0.81358%0.579SS**PPolyproline II helixtrans-60.2128.5172.2-80.6-169-18.200108.2T3 I7T3-Q5 PolarHBondContact O-N 3.38Å; Q5-I7 PolarHBondContact O-N 3.04Å
6P79.4Confident79.7Confident74 Ų74106.3 Ų106.348%0.48160%0.596SS.*PPolyproline II helixtrans-55.3131.9-179.1-25.835.1000111V8 L244P6-V8 PolarHBondContact O-N 3.2Å; P6-L244 CarbonylContact C-O 3.35Å; P6-L244 WeakPolarHBondContact CA-O 3.42Å
7I78.4Confident80.8Confident111 Ų111104 Ų10457%0.56958%0.58SS**  trans-79.6111.1174.9-58.4177.1000107.6Q5 L244Q5-I7 PolarHBondContact O-N 3.04Å; I7-L244 HydrophobicContact CD1-CB 4.45Å; I7-L244 HydrophobicContact CD1-CD1 4.46Å; I7-L244 HydrophobicContact CD1-CD2 4.19Å; I7-L244 PolarHBondContact N-O 3.29Å
8V83.9Confident81.8Confident78 Ų7898.9 Ų98.947%0.47355%0.551SS.*  trans-93.1124.6168.21800000108P6 S10 Y110P6-V8 PolarHBondContact O-N 3.2Å; V8-S10 PolarHBondContact O-N 2.85Å; V8-S10 VanDerWaalsContact O-N 3.17Å; V8-Y110 HydrophobicContact CB-CE2 4.46Å; V8-Y110 HydrophobicContact CG1-CD2 4.22Å; V8-Y110 HydrophobicContact CG1-CE2 3.44Å; V8-Y110 VanDerWaalsContact CG1-CE2 3.44Å; V8-Y110 HydrophobicContact CG2-CE2 4.16Å
9N93.4Very high82.6Confident80 Ų8098 Ų9843%0.42855%0.548SS..  trans-71107.9175176.914.9000109.8H11 L12N9-H11 PolarHBondContact O-N 3.14Å; N9-H11 PolarHBondContact OD1-CD2 3.11Å; N9-H11 PolarHBondContact OD1-N 3.05Å; N9-L12 HydrophobicContact CB-CD1 4.1Å; N9-L12 HydrophobicContact CB-CG 3.97Å; N9-L12 WeakPolarHBondContact O-CB 3.46Å; N9-L12 WeakPolarHBondContact O-CG 3.42Å; N9-L12 PolarHBondContact O-N 2.89Å; N9-L12 VanDerWaalsContact O-N 3.12Å
10S95.1Very high83.4Confident77 Ų7793.1 Ų93.154%0.53852%0.521SS..G310 helixtrans-59.9-27.3-177.952.50000113.5V8 L12 S13V8-S10 PolarHBondContact O-N 2.85Å; V8-S10 VanDerWaalsContact O-N 3.17Å; S10-L12 PolarHBondContact O-N 3.16Å; S10-S13 PolarHBondContact O-N 2.74Å; S10-S13 PolarHBondContact O-OG 3.2Å
11H97.3Very high84.1Confident109 Ų10994.8 Ų94.851%0.50552%0.524SS..G310 helixtrans-68.3-16.8179.5-59.3-60.6000113.1N9 S13 E14N9-H11 PolarHBondContact O-N 3.14Å; N9-H11 PolarHBondContact OD1-CD2 3.11Å; N9-H11 PolarHBondContact OD1-N 3.05Å; H11-S13 PolarHBondContact O-N 3.21Å; H11-E14 IonicContact CE1-OE1 2.73Å; H11-E14 IonicContact CG-OE1 2.82Å; H11-E14 IonicContact ND1-OE1 3.48Å; H11-E14 PolarHBondContact ND1-OE1 3.31Å; H11-E14 IonicContact ND1-OE2 3.93Å; H11-E14 WeakPolarHBondContact O-CB 3.37Å; H11-E14 PolarHBondContact O-N 2.96Å; H11-E14 VanDerWaalsContact O-N 3.14Å
12L96.3Very high86.8Confident16 Ų1686.6 Ų86.68%0.08448%0.483CS..G310 helixtrans-65.8-26.2177.1-63.4-179000112.9N9 S10 E14 L15 K107 Y110N9-L12 HydrophobicContact CB-CD1 4.1Å; N9-L12 HydrophobicContact CB-CG 3.97Å; N9-L12 WeakPolarHBondContact O-CB 3.46Å; N9-L12 WeakPolarHBondContact O-CG 3.42Å; N9-L12 PolarHBondContact O-N 2.89Å; N9-L12 VanDerWaalsContact O-N 3.12Å; S10-L12 PolarHBondContact O-N 3.16Å; L12-E14 VanDerWaalsContact C-N 3.27Å; L12-L15 HydrophobicContact CD2-CD1 4.18Å; L12-K107 HydrophobicContact CD1-CD 4.06Å; L12-K107 HydrophobicContact CD1-CG 3.97Å; L12-K107 HydrophobicContact CD2-CD 3.63Å; L12-K107 HydrophobicContact CD2-CG 4.46Å; L12-Y110 HydrophobicContact CD1-CD1 4.24Å; L12-Y110 HydrophobicContact CD1-CE1 4.34Å
13S93.8Very high89.5Confident100 Ų10082 Ų8270%0.69945%0.445SS*.G310 helixtrans-78.8-10.7175.954.70000113.8S10 H11 L15S10-S13 PolarHBondContact O-N 2.74Å; S10-S13 PolarHBondContact O-OG 3.2Å; H11-S13 PolarHBondContact O-N 3.21Å; S13-L15 VanDerWaalsContact C-N 3.3Å
14E96.6Very high91.8Very high136 Ų13678.4 Ų78.464%0.63643%0.433SS*.G310 helixtrans-84.3-10.1175.9-59.1168-154.500111.8H11 L12H11-E14 IonicContact CE1-OE1 2.73Å; H11-E14 IonicContact CG-OE1 2.82Å; H11-E14 IonicContact ND1-OE1 3.48Å; H11-E14 PolarHBondContact ND1-OE1 3.31Å; H11-E14 IonicContact ND1-OE2 3.93Å; H11-E14 WeakPolarHBondContact O-CB 3.37Å; H11-E14 PolarHBondContact O-N 2.96Å; H11-E14 VanDerWaalsContact O-N 3.14Å; L12-E14 VanDerWaalsContact C-N 3.27Å
15L96.9Very high93.5Very high81 Ų8175.6 Ų75.642%0.42442%0.415SS..  trans-90121.9-178-57.6176.8000110.8L12 S13 E17 D18L12-L15 HydrophobicContact CD2-CD1 4.18Å; S13-L15 VanDerWaalsContact C-N 3.3Å; L15-E17 PolarHBondContact O-N 3.45Å; L15-D18 HydrophobicContact CD1-CB 3.85Å
16D97.2Very high94.9Very high158 Ų15868.4 Ų68.485%0.84538%0.383SS*.SBendtrans-64.4-29.1167.4-69.9-32.3000111.9
17E98Very high95.8Very high68 Ų6866.6 Ų66.632%0.31837%0.37SS..SBendtrans-152.1129.7179.2-178.6167.2-166.300109.2L15 T26 K28L15-E17 PolarHBondContact O-N 3.45Å; E17-T26 HydrophobicContact CG-CG2 4.37Å; E17-T26 WeakPolarHBondContact OE1-CB 3.28Å; E17-T26 WeakPolarHBondContact OE1-CG2 3.42Å; E17-T26 PolarHBondContact OE1-OG1 3.43Å; E17-K28 HydrophobicContact CB-CD 4.44Å; E17-K28 HydrophobicContact CB-CG 4.48Å; E17-K28 HydrophobicContact CG-CD 4.24Å; E17-K28 HydrophobicContact CG-CG 4.05Å; E17-K28 WeakPolarHBondContact OE2-CD 3.42Å; E17-K28 WeakPolarHBondContact OE2-CE 3.4Å; E17-K28 IonicContact OE2-NZ 2.92Å; E17-K28 PolarHBondContact OE2-NZ 2.79Å
18D98.1Very high96.7Very high12 Ų1267.9 Ų67.96%0.06437%0.372CS..  trans-104.3127.5175.1-172.910.2000109.5L15 T26 T27 K107 Y111L15-D18 HydrophobicContact CD1-CB 3.85Å; D18-T26 CarbonylContact O-C 3.27Å; D18-T26 VanDerWaalsContact O-CA 3.25Å; D18-T26 WeakPolarHBondContact O-CA 3.42Å; D18-T27 HydrophobicContact CB-CG2 3.83Å; D18-T27 PolarHBondContact N-OG1 2.75Å; D18-T27 PolarHBondContact O-N 2.76Å; D18-K107 IonicContact OD1-NZ 3.39Å; D18-K107 PolarHBondContact OD1-NZ 3.25Å; D18-K107 VanDerWaalsContact OD2-CD 3.29Å; D18-K107 WeakPolarHBondContact OD2-CD 3.43Å; D18-K107 VanDerWaalsContact OD2-CE 3.26Å; D18-K107 WeakPolarHBondContact OD2-CE 3.3Å; D18-K107 IonicContact OD2-NZ 2.95Å; D18-K107 PolarHBondContact OD2-NZ 3.29Å; D18-Y111 HydrophobicContact CB-CE2 3.95Å; D18-Y111 WeakPolarHBondContact CB-OH 3.28Å; D18-Y111 WeakPolarHBondContact OD2-CE2 3.36Å; D18-Y111 PolarHBondContact OD2-OH 3.04Å
19V98.3Very high97.4Very high82 Ų8266.9 Ų66.950%0.49737%0.368SS..EExtended strand (participates in β ladder)trans-98.9118.2-175.7-178.40000109H21 T26V19-H21 VanDerWaalsContact C-N 3.3Å; V19-H21 PolarHBondContact O-N 3.35Å; V19-H21 VanDerWaalsContact O-N 3.12Å; V19-T26 HydrophobicContact CB-CG2 4.33Å; V19-T26 HydrophobicContact CG1-CG2 4.24Å; V19-T26 HydrophobicContact CG2-CG2 3.9Å
20F98.5Very high97.5Very high0 Ų066 Ų660%036%0.361CS..EExtended strand (participates in β ladder)trans-84.978.3171.1-62.5-95.1000108.1H22 F23 G24 F25 T27 F32 E104 K107 L108 Y111F20-H22 VanDerWaalsContact C-N 3.26Å; F20-H22 PolarHBondContact O-N 3.12Å; F20-F23 HydrophobicContact CB-CB 4.17Å; F20-F23 HydrophobicContact CB-CD2 4.47Å; F20-F23 CarbonylContact O-C 3.6Å; F20-F23 PolarHBondContact O-N 2.93Å; F20-F23 VanDerWaalsContact O-N 3.16Å; F20-G24 PolarHBondContact O-N 3.26Å; F20-F25 WeakPolarHBondContact CA-O 3.41Å; F20-F25 HydrophobicContact CB-CD2 3.91Å; F20-F25 HydrophobicContact CB-CE2 3.76Å; F20-F25 HydrophobicContact CB-CZ 4.43Å; F20-F25 WeakPolarHBondContact CB-O 3.45Å; F20-F25 HydrophobicContact CD1-CE2 4.28Å; F20-F25 AromaticContact CD2-CD2 3.79Å; F20-F25 HydrophobicContact CD2-CD2 3.79Å; F20-F25 AromaticContact CD2-CE2 3.7Å; F20-F25 HydrophobicContact CD2-CE2 3.7Å; F20-F25 HydrophobicContact CE2-CE2 4.39Å; F20-F25 HydrophobicContact CG-CD2 4.02Å; F20-F25 AromaticContact CG-CE2 3.64Å; F20-F25 HydrophobicContact CG-CE2 3.64Å; F20-F25 PolarHBondContact N-O 3.39Å; F20-T27 HydrophobicContact CE2-CG2 3.96Å; F20-F32 HydrophobicContact CD2-CE1 4.48Å; F20-F32 HydrophobicContact CD2-CZ 4.13Å; F20-F32 AromaticContact CE2-CE1 3.64Å; F20-F32 HydrophobicContact CE2-CE1 3.64Å; F20-F32 AromaticContact CE2-CZ 3.56Å; F20-F32 HydrophobicContact CE2-CZ 3.56Å; F20-F32 AromaticContact CZ-CE1 3.74Å; F20-F32 HydrophobicContact CZ-CE1 3.74Å; F20-F32 HydrophobicContact CZ-CZ 4.16Å; F20-E104 HydrophobicContact CD1-CB 3.91Å; F20-E104 HydrophobicContact CD1-CG 4.14Å; F20-E104 WeakPolarHBondContact CE1-O 3.46Å; F20-K107 HydrophobicContact CE1-CB 3.74Å; F20-K107 HydrophobicContact CZ-CB 4.12Å; F20-L108 HydrophobicContact CE1-CB 3.93Å; F20-L108 HydrophobicContact CZ-CB 4.26Å; F20-Y111 HydrophobicContact CE2-CD2 4.46Å; F20-Y111 AromaticContact CZ-CD2 3.86Å; F20-Y111 HydrophobicContact CZ-CD2 3.86Å; F20-Y111 HydrophobicContact CZ-CE2 4.06Å
21H98.4Very high97.7Very high129 Ų12966.8 Ų66.860%0.59736%0.359SS*.THydrogen-bonded Turntrans-55.8-40-170.1-178.474.1000112.8V19 E104V19-H21 VanDerWaalsContact C-N 3.3Å; V19-H21 PolarHBondContact O-N 3.35Å; V19-H21 VanDerWaalsContact O-N 3.12Å; H21-E104 PolarHBondContact N-OE1 3.47Å
22H98.7Very high97.7Very high47 Ų4762.1 Ų62.122%0.21834%0.337CS..THydrogen-bonded Turntrans-83.9-16.4-175.2-57.681.8000112.9F20 A76 R77 F78 I100 E104F20-H22 VanDerWaalsContact C-N 3.26Å; F20-H22 PolarHBondContact O-N 3.12Å; H22-A76 WeakPolarHBondContact O-CB 3.42Å; H22-R77 HydrophobicContact CB-CB 4.22Å; H22-R77 HydrophobicContact CB-CG 4.46Å; H22-R77 PolarHBondContact O-N 3.01Å; H22-F78 HydrophobicContact CB-CD2 3.89Å; H22-F78 HydrophobicContact CB-CE2 4.02Å; H22-F78 PolarHBondContact O-N 3.01Å; H22-I100 HydrophobicContact CB-CG2 3.94Å; H22-I100 VanDerWaalsContact CD2-CG2 3.49Å; H22-I100 WeakPolarHBondContact CD2-CG2 3.31Å; H22-I100 VanDerWaalsContact CE1-CG2 3.49Å; H22-I100 WeakPolarHBondContact CE1-CG2 3.45Å; H22-I100 VanDerWaalsContact ND1-CG2 3.31Å; H22-I100 WeakPolarHBondContact ND1-CG2 3.43Å; H22-E104 WeakPolarHBondContact CB-OE1 3.43Å; H22-E104 IonicContact CE1-OE1 2.74Å; H22-E104 IonicContact CG-OE1 2.77Å; H22-E104 PolarHBondContact N-OE1 2.9Å; H22-E104 PolarHBondContact N-OE2 2.78Å; H22-E104 IonicContact ND1-OE1 2.72Å; H22-E104 PolarHBondContact ND1-OE1 3.4Å
23F98.7Very high97.8Very high0 Ų068.4 Ų68.40%036%0.364CS..THydrogen-bonded Turntrans-97.1-12.5167.6-72.6-62.4000114.9F20 F25 A72 G73 A76 F78 L80 A89 L101 E104 V105F20-F23 HydrophobicContact CB-CB 4.17Å; F20-F23 HydrophobicContact CB-CD2 4.47Å; F20-F23 CarbonylContact O-C 3.6Å; F20-F23 PolarHBondContact O-N 2.93Å; F20-F23 VanDerWaalsContact O-N 3.16Å; F23-F25 HydrophobicContact CB-CD1 3.86Å; F23-F25 HydrophobicContact CB-CE1 3.38Å; F23-F25 HydrophobicContact CB-CE2 4.35Å; F23-F25 HydrophobicContact CB-CZ 3.63Å; F23-F25 HydrophobicContact CD2-CZ 4.21Å; F23-F25 HydrophobicContact CG-CE1 4.02Å; F23-F25 HydrophobicContact CG-CZ 4.01Å; F23-A72 HydrophobicContact CD1-CB 4.14Å; F23-A72 CarbonylContact O-C 3.54Å; F23-A72 VanDerWaalsContact O-CA 3.27Å; F23-A72 WeakPolarHBondContact O-CA 3.35Å; F23-A72 WeakPolarHBondContact O-CB 3.49Å; F23-G73 PolarHBondContact O-N 3.36Å; F23-A76 VanDerWaalsContact C-CB 3.48Å; F23-A76 WeakPolarHBondContact O-CB 3.3Å; F23-F78 HydrophobicContact CD1-CB 4.03Å; F23-F78 HydrophobicContact CE1-CB 3.73Å; F23-F78 HydrophobicContact CZ-CB 4.49Å; F23-L80 HydrophobicContact CD1-CB 3.96Å; F23-L80 HydrophobicContact CD1-CD2 4.48Å; F23-L80 HydrophobicContact CE1-CB 3.82Å; F23-L80 HydrophobicContact CE1-CD1 3.95Å; F23-L80 HydrophobicContact CE1-CD2 4.44Å; F23-L80 HydrophobicContact CE1-CG 4.3Å; F23-L80 HydrophobicContact CZ-CD1 4.05Å; F23-A89 HydrophobicContact CE1-CB 4.29Å; F23-A89 HydrophobicContact CZ-CB 4.25Å; F23-L101 HydrophobicContact CE1-CD1 4.06Å; F23-L101 HydrophobicContact CE2-CD1 4.09Å; F23-L101 HydrophobicContact CZ-CD1 3.35Å; F23-E104 HydrophobicContact CD2-CB 3.79Å; F23-E104 VanDerWaalsContact CD2-OE2 3.27Å; F23-E104 WeakPolarHBondContact CD2-OE2 3.4Å; F23-E104 HydrophobicContact CE2-CB 3.74Å; F23-E104 PolarHBondContact N-OE2 3.11Å; F23-E104 VanDerWaalsContact N-OE2 3.15Å; F23-V105 HydrophobicContact CE2-CG2 3.68Å; F23-V105 HydrophobicContact CZ-CG2 3.59Å
24G98.4Very high98Very high47 Ų4771.4 Ų71.449%0.48537%0.367SS..THydrogen-bonded Turntrans72.531.3175.300000115.3F20F20-G24 PolarHBondContact O-N 3.26Å
25F98.6Very high98.1Very high9 Ų968.7 Ų68.74%0.03935%0.353CS..EExtended strand (participates in β ladder)trans-142.9177172.256.8-111.4000111.5F20 F23 F30 F32 I71 L80 L108F20-F25 WeakPolarHBondContact CA-O 3.41Å; F20-F25 HydrophobicContact CB-CD2 3.91Å; F20-F25 HydrophobicContact CB-CE2 3.76Å; F20-F25 HydrophobicContact CB-CZ 4.43Å; F20-F25 WeakPolarHBondContact CB-O 3.45Å; F20-F25 HydrophobicContact CD1-CE2 4.28Å; F20-F25 AromaticContact CD2-CD2 3.79Å; F20-F25 HydrophobicContact CD2-CD2 3.79Å; F20-F25 AromaticContact CD2-CE2 3.7Å; F20-F25 HydrophobicContact CD2-CE2 3.7Å; F20-F25 HydrophobicContact CE2-CE2 4.39Å; F20-F25 HydrophobicContact CG-CD2 4.02Å; F20-F25 AromaticContact CG-CE2 3.64Å; F20-F25 HydrophobicContact CG-CE2 3.64Å; F20-F25 PolarHBondContact N-O 3.39Å; F23-F25 HydrophobicContact CB-CD1 3.86Å; F23-F25 HydrophobicContact CB-CE1 3.38Å; F23-F25 HydrophobicContact CB-CE2 4.35Å; F23-F25 HydrophobicContact CB-CZ 3.63Å; F23-F25 HydrophobicContact CD2-CZ 4.21Å; F23-F25 HydrophobicContact CG-CE1 4.02Å; F23-F25 HydrophobicContact CG-CZ 4.01Å; F25-F30 HydrophobicContact CB-CE2 3.94Å; F25-F30 HydrophobicContact CB-CZ 4.34Å; F25-F30 AromaticContact CD1-CE2 3.9Å; F25-F30 HydrophobicContact CD1-CE2 3.9Å; F25-F30 HydrophobicContact CD1-CZ 4.4Å; F25-F30 HydrophobicContact CD2-CD2 4.46Å; F25-F30 AromaticContact CD2-CE2 3.92Å; F25-F30 HydrophobicContact CD2-CE2 3.92Å; F25-F30 HydrophobicContact CE1-CE2 4.36Å; F25-F30 HydrophobicContact CE2-CE2 4.42Å; F25-F30 AromaticContact CG-CE2 3.66Å; F25-F30 HydrophobicContact CG-CE2 3.66Å; F25-F30 HydrophobicContact CG-CZ 4.37Å; F25-F32 HydrophobicContact CD2-CZ 4.15Å; F25-F32 HydrophobicContact CE2-CE1 4.48Å; F25-F32 AromaticContact CE2-CZ 3.98Å; F25-F32 HydrophobicContact CE2-CZ 3.98Å; F25-I71 HydrophobicContact CE1-CG2 4.36Å; F25-L80 HydrophobicContact CE1-CD2 3.83Å; F25-L80 HydrophobicContact CZ-CD2 3.81Å; F25-L108 HydrophobicContact CE2-CD1 4.27Å; F25-L108 HydrophobicContact CZ-CD1 3.96Å
26T98.6Very high98.2Very high23 Ų2364.8 Ų64.814%0.14133%0.333CS..EExtended strand (participates in β ladder)trans-133.1170.8-177.574.90000111.8E17 D18 V19 K28 S29 F32E17-T26 HydrophobicContact CG-CG2 4.37Å; E17-T26 WeakPolarHBondContact OE1-CB 3.28Å; E17-T26 WeakPolarHBondContact OE1-CG2 3.42Å; E17-T26 PolarHBondContact OE1-OG1 3.43Å; D18-T26 CarbonylContact O-C 3.27Å; D18-T26 VanDerWaalsContact O-CA 3.25Å; D18-T26 WeakPolarHBondContact O-CA 3.42Å; V19-T26 HydrophobicContact CB-CG2 4.33Å; V19-T26 HydrophobicContact CG1-CG2 4.24Å; V19-T26 HydrophobicContact CG2-CG2 3.9Å; T26-K28 PolarHBondContact O-N 2.84Å; T26-K28 VanDerWaalsContact O-N 3.12Å; T26-K28 PolarHBondContact OG1-N 3Å; T26-K28 VanDerWaalsContact OG1-N 3.17Å; T26-S29 PolarHBondContact N-OG 2.9Å; T26-S29 VanDerWaalsContact O-CB 3.29Å; T26-S29 WeakPolarHBondContact O-CB 3.28Å; T26-S29 PolarHBondContact O-N 2.97Å; T26-S29 PolarHBondContact O-OG 2.99Å; T26-S29 PolarHBondContact OG1-N 3.28Å; T26-S29 PolarHBondContact OG1-OG 3.05Å; T26-F32 WeakPolarHBondContact O-CE2 3.28Å
27T98.2Very high98.2Very high35 Ų3558.7 Ų58.722%0.21531%0.307CS..THydrogen-bonded Turntrans-60.2-16.5171.851.20000114.2D18 F20 Y111D18-T27 HydrophobicContact CB-CG2 3.83Å; D18-T27 PolarHBondContact N-OG1 2.75Å; D18-T27 PolarHBondContact O-N 2.76Å; F20-T27 HydrophobicContact CE2-CG2 3.96Å; T27-Y111 HydrophobicContact CG2-CD1 4.19Å; T27-Y111 HydrophobicContact CG2-CD2 3.76Å; T27-Y111 HydrophobicContact CG2-CE1 4.16Å; T27-Y111 HydrophobicContact CG2-CE2 3.73Å; T27-Y111 HydrophobicContact CG2-CG 4Å
28K98.1Very high98.3Very high138 Ų13858 Ų5860%0.631%0.305SS*.THydrogen-bonded Turntrans-91.7-7.9174-64.2-172.6-172.3144.90113.9E17 T26 F30E17-K28 HydrophobicContact CB-CD 4.44Å; E17-K28 HydrophobicContact CB-CG 4.48Å; E17-K28 HydrophobicContact CG-CD 4.24Å; E17-K28 HydrophobicContact CG-CG 4.05Å; E17-K28 WeakPolarHBondContact OE2-CD 3.42Å; E17-K28 WeakPolarHBondContact OE2-CE 3.4Å; E17-K28 IonicContact OE2-NZ 2.92Å; E17-K28 PolarHBondContact OE2-NZ 2.79Å; T26-K28 PolarHBondContact O-N 2.84Å; T26-K28 VanDerWaalsContact O-N 3.12Å; T26-K28 PolarHBondContact OG1-N 3Å; T26-K28 VanDerWaalsContact OG1-N 3.17Å; K28-F30 VanDerWaalsContact C-N 3.32Å
29S97.9Very high98.3Very high57 Ų5757.5 Ų57.540%0.39930%0.303SS..THydrogen-bonded Turntrans-72.2-27.6179.9-57.60000112.6T26T26-S29 PolarHBondContact N-OG 2.9Å; T26-S29 VanDerWaalsContact O-CB 3.29Å; T26-S29 WeakPolarHBondContact O-CB 3.28Å; T26-S29 PolarHBondContact O-N 2.97Å; T26-S29 PolarHBondContact O-OG 2.99Å; T26-S29 PolarHBondContact OG1-N 3.28Å; T26-S29 PolarHBondContact OG1-OG 3.05Å
30F96Very high98.3Very high62 Ų6258.8 Ų58.827%0.27230%0.302SS..SBendtrans-145.2158.9-175.7-44.6-63.5000111F25 K28 F32 K35 F36 I71F25-F30 HydrophobicContact CB-CE2 3.94Å; F25-F30 HydrophobicContact CB-CZ 4.34Å; F25-F30 AromaticContact CD1-CE2 3.9Å; F25-F30 HydrophobicContact CD1-CE2 3.9Å; F25-F30 HydrophobicContact CD1-CZ 4.4Å; F25-F30 HydrophobicContact CD2-CD2 4.46Å; F25-F30 AromaticContact CD2-CE2 3.92Å; F25-F30 HydrophobicContact CD2-CE2 3.92Å; F25-F30 HydrophobicContact CE1-CE2 4.36Å; F25-F30 HydrophobicContact CE2-CE2 4.42Å; F25-F30 AromaticContact CG-CE2 3.66Å; F25-F30 HydrophobicContact CG-CE2 3.66Å; F25-F30 HydrophobicContact CG-CZ 4.37Å; K28-F30 VanDerWaalsContact C-N 3.32Å; F30-F32 HydrophobicContact CB-CD2 4.13Å; F30-F32 HydrophobicContact CB-CE2 4.21Å; F30-F32 AromaticContact CD2-CE2 3.95Å; F30-F32 HydrophobicContact CD2-CE2 3.95Å; F30-F32 HydrophobicContact CD2-CZ 4.45Å; F30-F32 WeakPolarHBondContact O-CD2 3.45Å; F30-F32 PolarHBondContact O-N 2.96Å; F30-K35 HydrophobicContact CB-CD 3.76Å; F30-K35 HydrophobicContact CD1-CD 3.7Å; F30-K35 HydrophobicContact CD2-CD 4.07Å; F30-K35 HydrophobicContact CE1-CD 4.34Å; F30-K35 HydrophobicContact CG-CD 3.56Å; F30-F36 HydrophobicContact CD2-CE2 4.11Å; F30-F36 HydrophobicContact CD2-CZ 4.43Å; F30-I71 HydrophobicContact CE2-CG2 4.13Å; F30-I71 HydrophobicContact CZ-CG2 3.96Å
31D98.1Very high98.3Very high93 Ų9359.5 Ų59.550%0.49731%0.305SS..  trans-74.7106152.2-174.4-34.5000108.2K33 E34 K35D31-K33 VanDerWaalsContact C-N 3.32Å; D31-K33 PolarHBondContact O-N 3.24Å; D31-K33 WeakPolarHBondContact OD1-CB 3.46Å; D31-K33 PolarHBondContact OD1-N 3.26Å; D31-E34 HydrophobicContact CB-CB 3.97Å; D31-E34 PolarHBondContact OD1-N 2.78Å; D31-K35 WeakPolarHBondContact O-CB 3.31Å; D31-K35 PolarHBondContact O-N 2.94Å
32F98.4Very high98.4Very high11 Ų1153.4 Ų53.45%0.04828%0.276CS..Hα-helixtrans-66-33.7-176.6-85.6-124.9000112.5F20 F25 T26 F30 F36 L108 A112F20-F32 HydrophobicContact CD2-CE1 4.48Å; F20-F32 HydrophobicContact CD2-CZ 4.13Å; F20-F32 AromaticContact CE2-CE1 3.64Å; F20-F32 HydrophobicContact CE2-CE1 3.64Å; F20-F32 AromaticContact CE2-CZ 3.56Å; F20-F32 HydrophobicContact CE2-CZ 3.56Å; F20-F32 AromaticContact CZ-CE1 3.74Å; F20-F32 HydrophobicContact CZ-CE1 3.74Å; F20-F32 HydrophobicContact CZ-CZ 4.16Å; F25-F32 HydrophobicContact CD2-CZ 4.15Å; F25-F32 HydrophobicContact CE2-CE1 4.48Å; F25-F32 AromaticContact CE2-CZ 3.98Å; F25-F32 HydrophobicContact CE2-CZ 3.98Å; T26-F32 WeakPolarHBondContact O-CE2 3.28Å; F30-F32 HydrophobicContact CB-CD2 4.13Å; F30-F32 HydrophobicContact CB-CE2 4.21Å; F30-F32 AromaticContact CD2-CE2 3.95Å; F30-F32 HydrophobicContact CD2-CE2 3.95Å; F30-F32 HydrophobicContact CD2-CZ 4.45Å; F30-F32 WeakPolarHBondContact O-CD2 3.45Å; F30-F32 PolarHBondContact O-N 2.96Å; F32-F36 HydrophobicContact CB-CD2 4.44Å; F32-F36 HydrophobicContact CD1-CD2 4.16Å; F32-F36 HydrophobicContact CD1-CE2 4.4Å; F32-F36 HydrophobicContact CG-CD2 4.25Å; F32-F36 WeakPolarHBondContact O-CB 3.21Å; F32-F36 PolarHBondContact O-N 3.04Å; F32-L108 HydrophobicContact CD1-CB 4.48Å; F32-L108 HydrophobicContact CD1-CG 4Å; F32-L108 HydrophobicContact CE1-CB 4.08Å; F32-L108 HydrophobicContact CE1-CD1 4.38Å; F32-L108 HydrophobicContact CE1-CG 3.78Å; F32-A112 HydrophobicContact CB-CB 4.36Å; F32-A112 VanDerWaalsContact O-CB 3.27Å; F32-A112 WeakPolarHBondContact O-CB 3.45Å
33K98.3Very high98.4Very high149 Ų14951.1 Ų51.165%0.64827%0.266SS*.Hα-helixtrans-70.8-45.2-179.4-68.8-179.9-179.5173.40110.3D31 G37D31-K33 VanDerWaalsContact C-N 3.32Å; D31-K33 PolarHBondContact O-N 3.24Å; D31-K33 WeakPolarHBondContact OD1-CB 3.46Å; D31-K33 PolarHBondContact OD1-N 3.26Å; K33-G37 WeakPolarHBondContact O-CA 3.09Å; K33-G37 PolarHBondContact O-N 3.34Å
34E98.5Very high98.4Very high163 Ų16351.1 Ų51.176%0.76227%0.266SS*.Hα-helixtrans-65.6-46.7176.5-172.5-174.8166.600111.3D31D31-E34 HydrophobicContact CB-CB 3.97Å; D31-E34 PolarHBondContact OD1-N 2.78Å
35K98.4Very high98.4Very high78 Ų7849 Ų4934%0.33924%0.244SC..Hα-helixtrans-75.5-34.3-172.3-170.5174.417968.90113.8F30 D31 K82F30-K35 HydrophobicContact CB-CD 3.76Å; F30-K35 HydrophobicContact CD1-CD 3.7Å; F30-K35 HydrophobicContact CD2-CD 4.07Å; F30-K35 HydrophobicContact CE1-CD 4.34Å; F30-K35 HydrophobicContact CG-CD 3.56Å; D31-K35 WeakPolarHBondContact O-CB 3.31Å; D31-K35 PolarHBondContact O-N 2.94Å; K35-K82 WeakPolarHBondContact O-CD 2.98Å; K35-K82 WeakPolarHBondContact O-CE 3.36Å
36F98.7Very high98.4Very high0 Ų049.9 Ų49.90%026%0.255CS..Hα-helixtrans-128.7-6.8-170.6-53.5-69.9000114.5F30 F32 D38 V39 I71 K82 L87 L108 A112 C114F30-F36 HydrophobicContact CD2-CE2 4.11Å; F30-F36 HydrophobicContact CD2-CZ 4.43Å; F32-F36 HydrophobicContact CB-CD2 4.44Å; F32-F36 HydrophobicContact CD1-CD2 4.16Å; F32-F36 HydrophobicContact CD1-CE2 4.4Å; F32-F36 HydrophobicContact CG-CD2 4.25Å; F32-F36 WeakPolarHBondContact O-CB 3.21Å; F32-F36 PolarHBondContact O-N 3.04Å; F36-D38 PolarHBondContact O-N 3.36Å; F36-V39 HydrophobicContact CB-CG2 4.3Å; F36-V39 VanDerWaalsContact O-CB 3.32Å; F36-V39 WeakPolarHBondContact O-CB 3.49Å; F36-V39 VanDerWaalsContact O-CG2 3.25Å; F36-V39 WeakPolarHBondContact O-CG2 3.35Å; F36-V39 PolarHBondContact O-N 3.09Å; F36-I71 HydrophobicContact CE1-CD1 4.08Å; F36-I71 HydrophobicContact CZ-CG2 4.15Å; F36-K82 HydrophobicContact CD1-CD 4.08Å; F36-K82 HydrophobicContact CE1-CD 4.49Å; F36-L87 HydrophobicContact CD1-CD1 3.98Å; F36-L87 HydrophobicContact CE1-CD1 3.98Å; F36-L108 HydrophobicContact CB-CD2 3.93Å; F36-L108 HydrophobicContact CD1-CD2 4.19Å; F36-L108 HydrophobicContact CD2-CD1 4.34Å; F36-L108 HydrophobicContact CD2-CD2 3.94Å; F36-L108 HydrophobicContact CD2-CG 4.12Å; F36-L108 HydrophobicContact CE1-CD1 4.42Å; F36-L108 HydrophobicContact CE2-CD1 4.07Å; F36-L108 HydrophobicContact CE2-CD2 4.48Å; F36-L108 HydrophobicContact CE2-CG 4.28Å; F36-L108 HydrophobicContact CG-CD2 3.78Å; F36-L108 HydrophobicContact CG-CG 4.44Å; F36-L108 HydrophobicContact CZ-CD1 4.1Å; F36-A112 HydrophobicContact CB-CB 3.7Å; F36-C114 PolarHBondContact O-SG 3.22Å
37G98.5Very high98.3Very high30 Ų3050.9 Ų50.931%0.30926%0.263SS..THydrogen-bonded Turntrans-62.3-18.4-173.100000114.7K33 A112K33-G37 WeakPolarHBondContact O-CA 3.09Å; K33-G37 PolarHBondContact O-N 3.34Å; G37-A112 WeakPolarHBondContact CA-O 3.49Å
38D98.6Very high98.3Very high53 Ų5351.8 Ų51.828%0.28327%0.271SS..THydrogen-bonded Turntrans-87.4-4.6176.472.9-45.6000114F36 K40 K82 H85F36-D38 PolarHBondContact O-N 3.36Å; D38-K40 PolarHBondContact O-N 3.03Å; D38-K82 WeakPolarHBondContact OD1-CE 3.47Å; D38-K82 IonicContact OD1-NZ 2.79Å; D38-K82 PolarHBondContact OD1-NZ 3.05Å; D38-K82 IonicContact OD2-NZ 3.2Å; D38-K82 PolarHBondContact OD2-NZ 2.79Å; D38-H85 WeakPolarHBondContact O-CB 3.41Å; D38-H85 PolarHBondContact O-ND1 3.46Å; D38-H85 IonicContact OD2-CE1 2.85Å; D38-H85 PolarHBondContact OD2-CE1 3Å; D38-H85 IonicContact OD2-CG 3.84Å; D38-H85 IonicContact OD2-ND1 3.85Å; D38-H85 PolarHBondContact OD2-ND1 2.66Å
39V98.8Very high98.3Very high1 Ų146.8 Ų46.81%0.00626%0.259CS..  trans-63.4126.8-179.9173.10000110.6F36 F41 V42 K82 L87 L109 V117F36-V39 HydrophobicContact CB-CG2 4.3Å; F36-V39 VanDerWaalsContact O-CB 3.32Å; F36-V39 WeakPolarHBondContact O-CB 3.49Å; F36-V39 VanDerWaalsContact O-CG2 3.25Å; F36-V39 WeakPolarHBondContact O-CG2 3.35Å; F36-V39 PolarHBondContact O-N 3.09Å; V39-F41 WeakPolarHBondContact CG1-O 3.42Å; V39-V42 HydrophobicContact CG1-CG2 4.21Å; V39-K82 HydrophobicContact CG2-CD 4.45Å; V39-L87 HydrophobicContact CG1-CB 4.05Å; V39-L87 HydrophobicContact CG2-CB 4.36Å; V39-L109 HydrophobicContact CB-CD2 4.22Å; V39-L109 HydrophobicContact CG1-CD2 3.89Å; V39-V117 HydrophobicContact CG1-CG1 4.4Å
40K98.8Very high98.3Very high110 Ų11046.2 Ų46.248%0.47825%0.248SC..  trans-117.8-21.9175-65.2-59.7-176.5-177.70113.2D38 H85 L118D38-K40 PolarHBondContact O-N 3.03Å; K40-H85 HydrophobicContact CB-CB 4.42Å; K40-H85 HydrophobicContact CG-CB 4.47Å; K40-H85 PolarHBondContact N-O 3.13Å; K40-L118 PolarHBondContact O-N 3.15Å
41F98.9Very high98.4Very high15 Ų1543.2 Ų43.27%0.06624%0.235CC..EExtended strand (participates in β ladder)trans-130.9142.1-178.8-55.9-84.7000110.9V39 H85 I86 L87 L118 I120 Y286 L287 N290V39-F41 WeakPolarHBondContact CG1-O 3.42Å; F41-H85 PolarHBondContact N-O 3.32Å; F41-H85 VanDerWaalsContact N-O 3.13Å; F41-I86 HydrophobicContact CB-CB 4.5Å; F41-I86 HydrophobicContact CB-CG1 4.12Å; F41-I86 HydrophobicContact CB-CG2 4.24Å; F41-I86 HydrophobicContact CD2-CG1 4.34Å; F41-I86 WeakPolarHBondContact O-CA 3.42Å; F41-L87 PolarHBondContact O-N 2.96Å; F41-L118 CarbonylContact C-O 3.53Å; F41-L118 WeakPolarHBondContact CA-O 3.32Å; F41-L118 HydrophobicContact CD1-CB 3.94Å; F41-L118 HydrophobicContact CD1-CD2 4.06Å; F41-L118 HydrophobicContact CD1-CG 4.39Å; F41-L118 HydrophobicContact CE1-CB 4.28Å; F41-L118 HydrophobicContact CE1-CD2 3.99Å; F41-I120 HydrophobicContact CD1-CD1 4.25Å; F41-Y286 HydrophobicContact CE1-CE1 4.24Å; F41-L287 HydrophobicContact CB-CD2 3.74Å; F41-L287 HydrophobicContact CD1-CD2 3.5Å; F41-L287 VanDerWaalsContact CD1-CD2 3.5Å; F41-L287 HydrophobicContact CD2-CD2 3.8Å; F41-L287 HydrophobicContact CE1-CD2 4.01Å; F41-L287 HydrophobicContact CE2-CD2 4.27Å; F41-L287 HydrophobicContact CG-CD2 3.38Å; F41-L287 HydrophobicContact CZ-CD2 4.37Å; F41-N290 WeakPolarHBondContact CE2-O 3.32Å; F41-N290 HydrophobicContact CZ-CB 4.18Å; F41-N290 VanDerWaalsContact CZ-O 3.32Å; F41-N290 WeakPolarHBondContact CZ-O 3.42Å
42V98.9Very high98.4Very high0 Ų041.4 Ų41.40%022%0.223CC..EExtended strand (participates in β ladder)trans-124.9112.6170.2-176.70000108.1V39 V44 L87 V105 L109 V117 L118 F119 I120V39-V42 HydrophobicContact CG1-CG2 4.21Å; V42-V44 HydrophobicContact CG1-CG1 3.81Å; V42-L87 CarbonylContact C-O 3.53Å; V42-L87 VanDerWaalsContact CA-O 3.31Å; V42-L87 WeakPolarHBondContact CA-O 3.28Å; V42-L87 HydrophobicContact CG1-CB 4.47Å; V42-L87 HydrophobicContact CG2-CB 4.16Å; V42-V105 HydrophobicContact CG1-CG1 4.11Å; V42-V105 HydrophobicContact CG2-CG1 4.28Å; V42-L109 HydrophobicContact CG2-CD1 4.21Å; V42-V117 HydrophobicContact CG2-CG1 3.62Å; V42-L118 PolarHBondContact N-O 3.05Å; V42-F119 HydrophobicContact CB-CD1 3.81Å; V42-F119 HydrophobicContact CB-CD2 4.41Å; V42-F119 HydrophobicContact CB-CE1 3.9Å; V42-F119 HydrophobicContact CB-CE2 4.47Å; V42-F119 HydrophobicContact CB-CG 4.09Å; V42-F119 HydrophobicContact CB-CZ 4.24Å; V42-F119 HydrophobicContact CG1-CD1 3.89Å; V42-F119 HydrophobicContact CG1-CE1 3.79Å; V42-F119 HydrophobicContact CG1-CZ 4.45Å; V42-F119 HydrophobicContact CG2-CD1 4.44Å; V42-F119 HydrophobicContact CG2-CE1 4.12Å; V42-F119 HydrophobicContact CG2-CE2 4.17Å; V42-F119 HydrophobicContact CG2-CZ 3.98Å; V42-F119 CarbonylContact O-C 3.55Å; V42-F119 WeakPolarHBondContact O-CA 3.35Å; V42-I120 PolarHBondContact O-N 3.14Å
43C98.9Very high98.4Very high0 Ų046 Ų460%025%0.248CC..EExtended strand (participates in β ladder)trans-95.3128.7175.7-65.90000110.1I51 F54 I86 L87 F88 A89 I120 L122C43-I51 HydrophobicContact CB-CD1 4.25Å; C43-F54 HydrophobicContact CB-CD1 4.23Å; C43-F54 HydrophobicContact CB-CE1 3.95Å; C43-I86 HydrophobicContact CB-CG2 4.45Å; C43-L87 PolarHBondContact N-O 3.35Å; C43-F88 HydrophobicContact CB-CD1 3.88Å; C43-F88 HydrophobicContact CB-CE1 4.19Å; C43-F88 WeakPolarHBondContact O-CA 3.42Å; C43-A89 PolarHBondContact O-N 3.49Å; C43-A89 VanDerWaalsContact O-N 3.1Å; C43-I120 WeakPolarHBondContact CA-O 3.43Å; C43-L122 HydrophobicContact CB-CD1 4.34Å
44V98.9Very high98.4Very high0 Ų039.6 Ų39.60%022%0.22CC..EExtended strand (participates in β ladder)trans-132.3147.5-177.5-55.80000112.8V42 A89 L101 I120 R121 L122 I238V42-V44 HydrophobicContact CG1-CG1 3.81Å; V44-A89 WeakPolarHBondContact CA-O 3.21Å; V44-L101 HydrophobicContact CB-CD2 4.2Å; V44-L101 HydrophobicContact CG1-CD2 3.76Å; V44-I120 PolarHBondContact N-O 2.93Å; V44-R121 HydrophobicContact CG2-CB 4.07Å; V44-R121 CarbonylContact O-C 3.59Å; V44-R121 WeakPolarHBondContact O-CA 3.09Å; V44-L122 PolarHBondContact O-N 3.41Å; V44-I238 HydrophobicContact CG2-CD1 4.2Å
45C98.4Very high98.4Very high3 Ų331.9 Ų31.92%0.0218%0.184CC..EExtended strand (participates in β ladder)trans-154.1174168.280.60000112.2S47 I51 A89 D90 H91 L122C45-S47 VanDerWaalsContact C-N 3.29Å; C45-S47 PolarHBondContact O-N 3.45Å; C45-S47 PolarHBondContact SG-O 3.21Å; C45-I51 HydrophobicContact CB-CD1 4.39Å; C45-A89 PolarHBondContact N-O 2.9Å; C45-D90 CarbonylContact O-C 3.54Å; C45-D90 WeakPolarHBondContact O-CA 3.42Å; C45-D90 WeakPolarHBondContact O-CB 3.38Å; C45-H91 VanDerWaalsContact C-CE1 3.41Å; C45-H91 VanDerWaalsContact CA-NE2 3.32Å; C45-H91 WeakPolarHBondContact CA-NE2 3.35Å; C45-H91 PolarHBondContact O-N 3.05Å; C45-L122 HydrophobicContact CB-CB 4.25Å; C45-L122 WeakPolarHBondContact CB-O 3.29Å
46G98.1Very high98.4Very high26 Ų2630 Ų3027%0.26818%0.177SC..SBendtrans-74.3-15-175.600000115.5H91 G92G46-H91 WeakPolarHBondContact CA-CE1 3.4Å; G46-H91 PolarHBondContact N-CE1 2.82Å; G46-H91 PolarHBondContact N-NE2 3.41Å; G46-G92 WeakPolarHBondContact CA-O 3.45Å
47S97.8Very high98.3Very high44 Ų4432.2 Ų32.231%0.30819%0.193SC..  trans-116121.1-174.9173.20000111.8C45 G49 R50 I51C45-S47 VanDerWaalsContact C-N 3.29Å; C45-S47 PolarHBondContact O-N 3.45Å; C45-S47 PolarHBondContact SG-O 3.21Å; S47-G49 VanDerWaalsContact C-N 3.29Å; S47-G49 PolarHBondContact O-N 3.37Å; S47-G49 PolarHBondContact OG-N 3.29Å; S47-R50 PolarHBondContact O-N 3.45Å; S47-R50 PolarHBondContact OG-N 3.48Å; S47-I51 PolarHBondContact O-N 3Å
48S98.1Very high98.3Very high54 Ų5430.8 Ų30.838%0.37818%0.178SC..Hα-helixtrans-56-41173.358.70000112.9I51 H52S48-I51 WeakPolarHBondContact O-CG2 3.39Å; S48-H52 VanDerWaalsContact O-CB 3.27Å; S48-H52 WeakPolarHBondContact O-CB 3.44Å; S48-H52 PolarHBondContact O-N 3.48Å
49G97.3Very high98.3Very high34 Ų3428.3 Ų28.335%0.35117%0.165SC..Hα-helixtrans-64.4-42.9176.500000112.8S47 N53S47-G49 VanDerWaalsContact C-N 3.29Å; S47-G49 PolarHBondContact O-N 3.37Å; S47-G49 PolarHBondContact OG-N 3.29Å; G49-N53 WeakPolarHBondContact O-CB 3.48Å; G49-N53 VanDerWaalsContact O-CG 3.28Å; G49-N53 PolarHBondContact O-N 3.11Å; G49-N53 PolarHBondContact O-ND2 2.93Å
50R97.3Very high98.2Very high44 Ų4434.8 Ų34.817%0.16619%0.193CC..Hα-helixtrans-66.8-44.5178.6-66.8-176-6.5-152.41.6112.1S47 H52 N53 F54 L122 E276S47-R50 PolarHBondContact O-N 3.45Å; S47-R50 PolarHBondContact OG-N 3.48Å; R50-H52 VanDerWaalsContact C-N 3.32Å; R50-H52 PolarHBondContact O-N 3.48Å; R50-N53 PolarHBondContact O-N 3.35Å; R50-F54 PolarHBondContact O-N 2.95Å; R50-L122 PolarHBondContact NH2-O 3.06Å; R50-E276 WeakPolarHBondContact CD-OE1 3.49Å; R50-E276 WeakPolarHBondContact CD-OE2 3.32Å; R50-E276 IonicContact CZ-OE1 2.73Å; R50-E276 IonicContact NE-OE1 3.47Å; R50-E276 IonicContact NH1-OE1 3.87Å; R50-E276 PolarHBondContact NH1-OE1 3.41Å
51I98.5Very high98.1Very high0 Ų033 Ų330%019%0.189CC..Hα-helixtrans-68.9-34.6-179.2-154.670.9000111.6C43 C45 S47 S48 F54 A55 V79 Y81 F88 D90 L122C43-I51 HydrophobicContact CB-CD1 4.25Å; C45-I51 HydrophobicContact CB-CD1 4.39Å; S47-I51 PolarHBondContact O-N 3Å; S48-I51 WeakPolarHBondContact O-CG2 3.39Å; I51-F54 HydrophobicContact CD1-CD1 4.4Å; I51-F54 PolarHBondContact O-N 3.48Å; I51-A55 PolarHBondContact O-N 3.18Å; I51-V79 HydrophobicContact CG2-CG2 3.92Å; I51-Y81 HydrophobicContact CG2-CE2 4.27Å; I51-F88 HydrophobicContact CD1-CD1 4.48Å; I51-F88 HydrophobicContact CG1-CB 3.93Å; I51-F88 HydrophobicContact CG1-CD1 4.41Å; I51-D90 HydrophobicContact CG2-CB 4.2Å; I51-L122 HydrophobicContact CD1-CD1 4.37Å
52H98.4Very high98.1Very high55 Ų5532.3 Ų32.326%0.25519%0.186SC..Hα-helixtrans-64.2-46.4173-175.4-163000111.6S48 R50 F54 A55 I56 Y81S48-H52 VanDerWaalsContact O-CB 3.27Å; S48-H52 WeakPolarHBondContact O-CB 3.44Å; S48-H52 PolarHBondContact O-N 3.48Å; R50-H52 VanDerWaalsContact C-N 3.32Å; R50-H52 PolarHBondContact O-N 3.48Å; H52-F54 VanDerWaalsContact C-N 3.25Å; H52-F54 PolarHBondContact O-N 3.23Å; H52-A55 WeakPolarHBondContact O-CB 3.41Å; H52-A55 PolarHBondContact O-N 3.38Å; H52-A55 VanDerWaalsContact O-N 3.13Å; H52-I56 WeakPolarHBondContact O-CG1 3.44Å; H52-I56 PolarHBondContact O-N 3.3Å; H52-Y81 HydrophobicContact CB-CD2 4.5Å; H52-Y81 HydrophobicContact CB-CE2 3.63Å; H52-Y81 AromaticContact CD2-CE1 3.66Å; H52-Y81 AromaticContact CD2-CZ 3.67Å; H52-Y81 AromaticContact CG-CE2 3.99Å; H52-Y81 AromaticContact CG-CZ 3.56Å; H52-Y81 AromaticContact NE2-CE1 4Å
53N97.7Very high98Very high106 Ų10634.8 Ų34.857%0.56721%0.211SC*.Hα-helixtrans-59.3-38.1175.1-75.3-25.7000112G49 R50 I56 S57G49-N53 WeakPolarHBondContact O-CB 3.48Å; G49-N53 VanDerWaalsContact O-CG 3.28Å; G49-N53 PolarHBondContact O-N 3.11Å; G49-N53 PolarHBondContact O-ND2 2.93Å; R50-N53 PolarHBondContact O-N 3.35Å; N53-I56 PolarHBondContact O-N 3.39Å; N53-S57 PolarHBondContact O-N 3.2Å
54F98.3Very high97.8Very high16 Ų1637.6 Ų37.67%0.0723%0.226CC..Hα-helixtrans-66.1-43.8174.5-175-125.6000111.9C43 R50 I51 H52 I56 S57 M58 F88 L122 G280 V283 L287C43-F54 HydrophobicContact CB-CD1 4.23Å; C43-F54 HydrophobicContact CB-CE1 3.95Å; R50-F54 PolarHBondContact O-N 2.95Å; I51-F54 HydrophobicContact CD1-CD1 4.4Å; I51-F54 PolarHBondContact O-N 3.48Å; H52-F54 VanDerWaalsContact C-N 3.25Å; H52-F54 PolarHBondContact O-N 3.23Å; F54-I56 VanDerWaalsContact C-N 3.34Å; F54-I56 PolarHBondContact O-N 3.46Å; F54-S57 WeakPolarHBondContact CD2-OG 3.36Å; F54-S57 WeakPolarHBondContact O-CB 3.32Å; F54-S57 PolarHBondContact O-N 3Å; F54-S57 VanDerWaalsContact O-N 3.09Å; F54-S57 PolarHBondContact O-OG 2.77Å; F54-M58 HydrophobicContact CD2-CG 4.42Å; F54-M58 HydrophobicContact CE1-CG 4.28Å; F54-M58 HydrophobicContact CE2-CG 3.98Å; F54-M58 HydrophobicContact CE2-SD 3.89Å; F54-M58 HydrophobicContact CZ-CG 3.92Å; F54-M58 HydrophobicContact CZ-SD 3.91Å; F54-M58 WeakPolarHBondContact O-CG 3.33Å; F54-M58 PolarHBondContact O-N 3.33Å; F54-F88 AromaticContact CD1-CD1 3.83Å; F54-F88 HydrophobicContact CD1-CD1 3.83Å; F54-F88 AromaticContact CD1-CE1 3.55Å; F54-F88 HydrophobicContact CD1-CE1 3.55Å; F54-F88 HydrophobicContact CE1-CD1 4.3Å; F54-F88 AromaticContact CE1-CE1 3.7Å; F54-F88 HydrophobicContact CE1-CE1 3.7Å; F54-F88 HydrophobicContact CG-CE1 4.41Å; F54-L122 HydrophobicContact CD1-CD1 3.33Å; F54-L122 HydrophobicContact CE1-CD1 3.4Å; F54-L122 HydrophobicContact CG-CD1 3.95Å; F54-L122 HydrophobicContact CZ-CD1 4.06Å; F54-G280 WeakPolarHBondContact CE2-O 3.31Å; F54-V283 HydrophobicContact CZ-CB 4.47Å; F54-V283 HydrophobicContact CZ-CG1 4.16Å; F54-L287 HydrophobicContact CE1-CD1 4.26Å; F54-L287 HydrophobicContact CZ-CD1 4.03Å
55A98.6Very high97.5Very high0 Ų042 Ų420%026%0.262CS..Hα-helixtrans-58.9-43.3174.200000112.1I51 H52 S57 M58 A59 V68 Y81 V83 F88I51-A55 PolarHBondContact O-N 3.18Å; H52-A55 WeakPolarHBondContact O-CB 3.41Å; H52-A55 PolarHBondContact O-N 3.38Å; H52-A55 VanDerWaalsContact O-N 3.13Å; A55-S57 VanDerWaalsContact C-N 3.32Å; A55-S57 PolarHBondContact O-N 2.65Å; A55-M58 PolarHBondContact O-N 2.9Å; A55-A59 PolarHBondContact O-N 3.08Å; A55-V68 HydrophobicContact CB-CG1 4.22Å; A55-Y81 HydrophobicContact CB-CD2 4.44Å; A55-Y81 HydrophobicContact CB-CG 4.37Å; A55-V83 HydrophobicContact CB-CG2 4.48Å; A55-F88 HydrophobicContact CB-CB 4.25Å; A55-F88 HydrophobicContact CB-CD1 3.92Å; A55-F88 HydrophobicContact CB-CD2 3.85Å; A55-F88 HydrophobicContact CB-CE1 4.19Å; A55-F88 HydrophobicContact CB-CE2 4.14Å; A55-F88 HydrophobicContact CB-CG 3.75Å; A55-F88 HydrophobicContact CB-CZ 4.29Å
56I98.3Very high97.2Very high38 Ų3846 Ų4620%0.19528%0.283CS..Hα-helixtrans-58.8-43.2173.4-69.4168.2000111.1H52 N53 F54 M58 A59 K60 L66 V68H52-I56 WeakPolarHBondContact O-CG1 3.44Å; H52-I56 PolarHBondContact O-N 3.3Å; N53-I56 PolarHBondContact O-N 3.39Å; F54-I56 VanDerWaalsContact C-N 3.34Å; F54-I56 PolarHBondContact O-N 3.46Å; I56-M58 VanDerWaalsContact C-N 3.32Å; I56-M58 PolarHBondContact O-N 3.45Å; I56-A59 PolarHBondContact O-N 2.76Å; I56-K60 HydrophobicContact CG2-CD 4.35Å; I56-K60 WeakPolarHBondContact O-CG 3.45Å; I56-K60 PolarHBondContact O-N 2.68Å; I56-L66 HydrophobicContact CG2-CD1 4.27Å; I56-L66 HydrophobicContact CG2-CD2 4.02Å; I56-V68 HydrophobicContact CG1-CG2 4.27Å
57S97.7Very high97.1Very high47 Ų4749.1 Ų49.133%0.32930%0.298SS..Hα-helixtrans-63.2-39178.578.90000112.2N53 F54 A55 K60 L61N53-S57 PolarHBondContact O-N 3.2Å; F54-S57 WeakPolarHBondContact CD2-OG 3.36Å; F54-S57 WeakPolarHBondContact O-CB 3.32Å; F54-S57 PolarHBondContact O-N 3Å; F54-S57 VanDerWaalsContact O-N 3.09Å; F54-S57 PolarHBondContact O-OG 2.77Å; A55-S57 VanDerWaalsContact C-N 3.32Å; A55-S57 PolarHBondContact O-N 2.65Å; S57-K60 PolarHBondContact O-N 3.47Å; S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.31Å
58M98.4Very high97.1Very high0 Ų047.7 Ų47.70%029%0.288CS..Hα-helixtrans-69.9-40.1176.3-66.3-52.6-61.500112F54 A55 I56 K60 L61 A62 V83 I86 F88 G284 L287 I293F54-M58 HydrophobicContact CD2-CG 4.42Å; F54-M58 HydrophobicContact CE1-CG 4.28Å; F54-M58 HydrophobicContact CE2-CG 3.98Å; F54-M58 HydrophobicContact CE2-SD 3.89Å; F54-M58 HydrophobicContact CZ-CG 3.92Å; F54-M58 HydrophobicContact CZ-SD 3.91Å; F54-M58 WeakPolarHBondContact O-CG 3.33Å; F54-M58 PolarHBondContact O-N 3.33Å; A55-M58 PolarHBondContact O-N 2.9Å; I56-M58 VanDerWaalsContact C-N 3.32Å; I56-M58 PolarHBondContact O-N 3.45Å; M58-K60 VanDerWaalsContact C-N 3.33Å; M58-K60 PolarHBondContact O-N 2.87Å; M58-L61 HydrophobicContact CE-CD1 4.47Å; M58-L61 PolarHBondContact O-N 3.46Å; M58-L61 HydrophobicContact SD-CD1 3.96Å; M58-A62 WeakPolarHBondContact O-CB 3.4Å; M58-A62 PolarHBondContact O-N 2.65Å; M58-V83 HydrophobicContact CB-CG1 4.39Å; M58-I86 HydrophobicContact CE-CD1 3.8Å; M58-F88 HydrophobicContact CB-CE1 4.48Å; M58-F88 HydrophobicContact CB-CZ 3.89Å; M58-F88 HydrophobicContact CG-CE1 4.01Å; M58-F88 HydrophobicContact CG-CZ 3.83Å; M58-G284 WeakPolarHBondContact SD-CA 3.44Å; M58-L287 HydrophobicContact CE-CB 3.68Å; M58-L287 HydrophobicContact CE-CD1 4.01Å; M58-L287 HydrophobicContact SD-CD1 4.4Å; M58-I293 HydrophobicContact CE-CD1 4.08Å; M58-I293 HydrophobicContact CE-CG1 4.34Å; M58-I293 HydrophobicContact CE-CG2 3.75Å
59A98.3Very high97.1Very high2 Ų251.6 Ų51.62%0.01730%0.3CS..Hα-helixtrans-61-42175.300000111.7A55 I56 A62 G63 L64 L66 V68 V83A55-A59 PolarHBondContact O-N 3.08Å; I56-A59 PolarHBondContact O-N 2.76Å; A59-A62 PolarHBondContact O-N 2.82Å; A59-G63 PolarHBondContact O-N 3.15Å; A59-L64 HydrophobicContact CB-CB 4.3Å; A59-L64 PolarHBondContact O-N 2.76Å; A59-L66 HydrophobicContact CB-CD2 4.22Å; A59-V68 HydrophobicContact CB-CG2 3.53Å; A59-V83 HydrophobicContact CB-CG1 4.16Å; A59-V83 HydrophobicContact CB-CG2 4.08Å
60K97.6Very high97.1Very high137 Ų13753 Ų5360%0.59630%0.299SS*.Hα-helixtrans-61.3-43.9172.9-71.9176.2-179179.80112I56 S57 M58 A62 G63I56-K60 HydrophobicContact CG2-CD 4.35Å; I56-K60 WeakPolarHBondContact O-CG 3.45Å; I56-K60 PolarHBondContact O-N 2.68Å; S57-K60 PolarHBondContact O-N 3.47Å; M58-K60 VanDerWaalsContact C-N 3.33Å; M58-K60 PolarHBondContact O-N 2.87Å; K60-A62 PolarHBondContact O-N 2.93Å; K60-G63 PolarHBondContact O-N 3.49Å
61L96.2Very high97.2Very high73 Ų7352.3 Ų52.338%0.38230%0.299SS..Hα-helixtrans-64-29.5176-74.5173.4000113S57 M58 G63 I293S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.31Å; M58-L61 HydrophobicContact CE-CD1 4.47Å; M58-L61 PolarHBondContact O-N 3.46Å; M58-L61 HydrophobicContact SD-CD1 3.96Å; L61-G63 VanDerWaalsContact C-N 3.33Å; L61-I293 HydrophobicContact CB-CD1 3.7Å
62A97.5Very high97.2Very high0 Ų052.7 Ų52.70%030%0.302CS..THydrogen-bonded Turntrans-83.8-3.6178.200000114M58 A59 K60 L64 V83 I293 R296M58-A62 WeakPolarHBondContact O-CB 3.4Å; M58-A62 PolarHBondContact O-N 2.65Å; A59-A62 PolarHBondContact O-N 2.82Å; K60-A62 PolarHBondContact O-N 2.93Å; A62-L64 VanDerWaalsContact C-N 3.3Å; A62-L64 HydrophobicContact CB-CD1 4.05Å; A62-L64 HydrophobicContact CB-CG 4.16Å; A62-L64 PolarHBondContact O-N 2.81Å; A62-V83 HydrophobicContact CB-CG1 4.34Å; A62-I293 HydrophobicContact CB-CB 3.89Å; A62-I293 HydrophobicContact CB-CD1 4.25Å; A62-I293 HydrophobicContact CB-CG2 4.02Å; A62-R296 WeakPolarHBondContact O-CD 3.42Å; A62-R296 WeakPolarHBondContact O-CG 3.24Å; A62-R296 PolarHBondContact O-NH1 2.9Å
63G96.8Very high97.1Very high52 Ų5251.3 Ų51.354%0.53630%0.302SS..THydrogen-bonded Turntrans69.724.7-175.200000113.8A59 K60 L61A59-G63 PolarHBondContact O-N 3.15Å; K60-G63 PolarHBondContact O-N 3.49Å; L61-G63 VanDerWaalsContact C-N 3.33Å
64L96Very high97Very high59 Ų5951.6 Ų51.631%0.30931%0.313SS..PPolyproline II helixtrans-88.1144.1178.5-71.4168.7000111.5A59 A62 V83 R296A59-L64 HydrophobicContact CB-CB 4.3Å; A59-L64 PolarHBondContact O-N 2.76Å; A62-L64 VanDerWaalsContact C-N 3.3Å; A62-L64 HydrophobicContact CB-CD1 4.05Å; A62-L64 HydrophobicContact CB-CG 4.16Å; A62-L64 PolarHBondContact O-N 2.81Å; L64-V83 HydrophobicContact CD1-CG1 3.8Å; L64-R296 VanDerWaalsContact CD2-CZ 3.45Å
65A92.4Very high96.9Very high92 Ų9259.3 Ų59.376%0.7635%0.348SS*.PPolyproline II helixtrans-67147.7170.700000110.7
66L92.8Very high96.8Very high88 Ų8860.5 Ų60.546%0.46136%0.359SS..SBendtrans-91.8156.6173.5-63.5176.9000109.8I56 A59 V68I56-L66 HydrophobicContact CG2-CD1 4.27Å; I56-L66 HydrophobicContact CG2-CD2 4.02Å; A59-L66 HydrophobicContact CB-CD2 4.22Å; L66-V68 HydrophobicContact CD2-CG2 4.12Å
67P95.6Very high96.8Very high90 Ų9067.9 Ų67.958%0.58438%0.384SS*.PPolyproline II helixcis-83.8163.36.735.3-38.8000114.9E69P67-E69 HydrophobicContact CG-CG 4.38Å; P67-E69 WeakPolarHBondContact CG-OE1 3.12Å
68V97.2Very high96.9Very high15 Ų1566.2 Ų66.29%0.09137%0.371CS..  trans-89.1105.2164.9-175.20000107.6A55 I56 A59 L66 Y81 V83A55-V68 HydrophobicContact CB-CG1 4.22Å; I56-V68 HydrophobicContact CG1-CG2 4.27Å; A59-V68 HydrophobicContact CB-CG2 3.53Å; L66-V68 HydrophobicContact CD2-CG2 4.12Å; V68-Y81 HydrophobicContact CG1-CD1 4.06Å; V68-Y81 HydrophobicContact CG1-CG 4.25Å; V68-V83 HydrophobicContact CG1-CG2 4.11Å; V68-V83 HydrophobicContact CG2-CG2 4.33Å
69E97.4Very high96.9Very high136 Ų13667.2 Ų67.264%0.63638%0.377SS*.  trans-74.7140.7-172.9-66.4-65.717000113P67 I71 Y81P67-E69 HydrophobicContact CG-CG 4.38Å; P67-E69 WeakPolarHBondContact CG-OE1 3.12Å; E69-I71 PolarHBondContact O-N 3.45Å; E69-Y81 WeakPolarHBondContact O-CD1 3.4Å
70N98.4Very high96.9Very high62 Ų6267.1 Ų67.133%0.33238%0.376SS..  trans-73.2122.6172.9-173.516.7000109.9A72 L80 Y81N70-A72 WeakPolarHBondContact OD1-CB 3.19Å; N70-A72 PolarHBondContact OD1-N 2.86Å; N70-A72 VanDerWaalsContact OD1-N 3.13Å; N70-L80 PolarHBondContact OD1-N 2.76Å; N70-L80 PolarHBondContact OD1-O 2.85Å; N70-Y81 HydrophobicContact CB-CD1 4.33Å; N70-Y81 HydrophobicContact CB-CE1 3.71Å
71I98.6Very high97Very high31 Ų3161.2 Ų61.216%0.15935%0.35CS..  trans-80.7-28.2178.8-57.7169.4000110.9F25 F30 F36 E69 L80 K82F25-I71 HydrophobicContact CE1-CG2 4.36Å; F30-I71 HydrophobicContact CE2-CG2 4.13Å; F30-I71 HydrophobicContact CZ-CG2 3.96Å; F36-I71 HydrophobicContact CE1-CD1 4.08Å; F36-I71 HydrophobicContact CZ-CG2 4.15Å; E69-I71 PolarHBondContact O-N 3.45Å; I71-L80 HydrophobicContact CB-CB 4.24Å; I71-L80 HydrophobicContact CB-CD2 4.28Å; I71-L80 HydrophobicContact CB-CG 4.35Å; I71-L80 WeakPolarHBondContact CB-O 3.37Å; I71-L80 HydrophobicContact CG2-CD2 4.19Å; I71-L80 PolarHBondContact N-O 3.2Å; I71-K82 HydrophobicContact CD1-CB 3.77Å
72A98.3Very high97.1Very high8 Ų860.2 Ų60.27%0.06634%0.343CS..SBendtrans-68.4152.8178.200000111.4F23 N70 A76 F78 L80F23-A72 HydrophobicContact CD1-CB 4.14Å; F23-A72 CarbonylContact O-C 3.54Å; F23-A72 VanDerWaalsContact O-CA 3.27Å; F23-A72 WeakPolarHBondContact O-CA 3.35Å; F23-A72 WeakPolarHBondContact O-CB 3.49Å; N70-A72 WeakPolarHBondContact OD1-CB 3.19Å; N70-A72 PolarHBondContact OD1-N 2.86Å; N70-A72 VanDerWaalsContact OD1-N 3.13Å; A72-A76 HydrophobicContact CB-CB 3.93Å; A72-F78 WeakPolarHBondContact CB-O 3.49Å; A72-L80 HydrophobicContact CB-CB 4.19Å
73G97Very high97.2Very high25 Ų2560.5 Ų60.526%0.25834%0.344SS..  trans-61.1151.1175.400000112.2F23 H75 A76F23-G73 PolarHBondContact O-N 3.36Å; G73-H75 PolarHBondContact O-N 3.49Å; G73-A76 WeakPolarHBondContact O-CB 3.38Å; G73-A76 PolarHBondContact O-N 3.37Å
74S95.7Very high97.2Very high112 Ų11259 Ų5978%0.78332%0.324SS*.THydrogen-bonded Turntrans-60.6-19.6-176.955.80000114.9
75H96Very high97.4Very high178 Ų17858.5 Ų58.582%0.82432%0.32SS*.THydrogen-bonded Turntrans-110.411.5177.4-62-63.7000113.3G73G73-H75 PolarHBondContact O-N 3.49Å
76A97.6Very high97.7Very high26 Ų2654.1 Ų54.122%0.21528%0.284CS..  trans-64.4158.9176.200000111.8H22 F23 A72 G73H22-A76 WeakPolarHBondContact O-CB 3.42Å; F23-A76 VanDerWaalsContact C-CB 3.48Å; F23-A76 WeakPolarHBondContact O-CB 3.3Å; A72-A76 HydrophobicContact CB-CB 3.93Å; G73-A76 WeakPolarHBondContact O-CB 3.38Å; G73-A76 PolarHBondContact O-N 3.37Å
77R98.3Very high98Very high192 Ų19249.9 Ų49.973%0.72526%0.262SS*.SBendtrans-81.1-33.6175.6-61-60.3-172.31690112H22H22-R77 HydrophobicContact CB-CB 4.22Å; H22-R77 HydrophobicContact CB-CG 4.46Å; H22-R77 PolarHBondContact O-N 3.01Å
78F98.7Very high98.1Very high12 Ų1245.6 Ų45.65%0.05323%0.234CC..SBendtrans-116.8150.7179.4-56.9-54.3000111.1H22 F23 A72 D90 I100 L101H22-F78 HydrophobicContact CB-CD2 3.89Å; H22-F78 HydrophobicContact CB-CE2 4.02Å; H22-F78 PolarHBondContact O-N 3.01Å; F23-F78 HydrophobicContact CD1-CB 4.03Å; F23-F78 HydrophobicContact CE1-CB 3.73Å; F23-F78 HydrophobicContact CZ-CB 4.49Å; A72-F78 WeakPolarHBondContact CB-O 3.49Å; F78-D90 VanDerWaalsContact CA-OD1 3.26Å; F78-D90 WeakPolarHBondContact CA-OD1 3.22Å; F78-D90 WeakPolarHBondContact CD1-O 3.27Å; F78-D90 WeakPolarHBondContact CG-O 3.46Å; F78-I100 HydrophobicContact CE2-CB 4.16Å; F78-I100 HydrophobicContact CE2-CG2 3.81Å; F78-I100 HydrophobicContact CZ-CB 4.46Å; F78-I100 HydrophobicContact CZ-CG2 4.49Å; F78-L101 HydrophobicContact CB-CD1 4.41Å; F78-L101 HydrophobicContact CD2-CB 4.38Å; F78-L101 HydrophobicContact CD2-CD1 4.01Å; F78-L101 HydrophobicContact CE2-CB 4.06Å; F78-L101 HydrophobicContact CG-CD1 4.2Å; F78-L101 HydrophobicContact CZ-CB 4.37Å
79V98.8Very high98.2Very high22 Ų2244.9 Ų44.913%0.13323%0.23CC..  trans-88.9152.9168.8-610000110.4I51 Y81 A89 D90I51-V79 HydrophobicContact CG2-CG2 3.92Å; V79-Y81 HydrophobicContact CB-CE2 3.77Å; V79-Y81 HydrophobicContact CG2-CD2 4.35Å; V79-Y81 HydrophobicContact CG2-CE2 3.45Å; V79-Y81 VanDerWaalsContact CG2-CE2 3.45Å; V79-A89 VanDerWaalsContact O-CA 3.32Å; V79-A89 WeakPolarHBondContact O-CA 3.45Å; V79-A89 WeakPolarHBondContact O-CB 3.45Å; V79-D90 HydrophobicContact CG2-CB 4.32Å; V79-D90 VanDerWaalsContact CG2-OD1 3.3Å; V79-D90 WeakPolarHBondContact CG2-OD1 3.34Å; V79-D90 PolarHBondContact N-OD1 3.27Å
80L98.9Very high98.3Very high0 Ų039 Ų390%020%0.203CC..EExtended strand (participates in β ladder)trans-140.2123177.2-170.867.7000110F23 F25 N70 I71 A72 L87 F88 A89 L108F23-L80 HydrophobicContact CD1-CB 3.96Å; F23-L80 HydrophobicContact CD1-CD2 4.48Å; F23-L80 HydrophobicContact CE1-CB 3.82Å; F23-L80 HydrophobicContact CE1-CD1 3.95Å; F23-L80 HydrophobicContact CE1-CD2 4.44Å; F23-L80 HydrophobicContact CE1-CG 4.3Å; F23-L80 HydrophobicContact CZ-CD1 4.05Å; F25-L80 HydrophobicContact CE1-CD2 3.83Å; F25-L80 HydrophobicContact CZ-CD2 3.81Å; N70-L80 PolarHBondContact OD1-N 2.76Å; N70-L80 PolarHBondContact OD1-O 2.85Å; I71-L80 HydrophobicContact CB-CB 4.24Å; I71-L80 HydrophobicContact CB-CD2 4.28Å; I71-L80 HydrophobicContact CB-CG 4.35Å; I71-L80 WeakPolarHBondContact CB-O 3.37Å; I71-L80 HydrophobicContact CG2-CD2 4.19Å; I71-L80 PolarHBondContact N-O 3.2Å; A72-L80 HydrophobicContact CB-CB 4.19Å; L80-L87 HydrophobicContact CD1-CD1 3.96Å; L80-L87 HydrophobicContact CD1-CD2 3.84Å; L80-L87 HydrophobicContact CD1-CG 3.65Å; L80-L87 HydrophobicContact CD2-CD1 4.49Å; L80-L87 HydrophobicContact CG-CD1 4.18Å; L80-L87 HydrophobicContact CG-CG 4.41Å; L80-F88 CarbonylContact C-O 3.51Å; L80-F88 WeakPolarHBondContact CA-O 3.44Å; L80-A89 HydrophobicContact CD1-CB 3.95Å; L80-L108 HydrophobicContact CD2-CD1 3.99Å
81Y98.8Very high98.3Very high13 Ų1336.1 Ų36.15%0.05119%0.187CC..EExtended strand (participates in β ladder)trans-124.1159.2175.2-46.8-83.8000110.4I51 H52 A55 V68 E69 N70 V79 L87 F88I51-Y81 HydrophobicContact CG2-CE2 4.27Å; H52-Y81 HydrophobicContact CB-CD2 4.5Å; H52-Y81 HydrophobicContact CB-CE2 3.63Å; H52-Y81 AromaticContact CD2-CE1 3.66Å; H52-Y81 AromaticContact CD2-CZ 3.67Å; H52-Y81 AromaticContact CG-CE2 3.99Å; H52-Y81 AromaticContact CG-CZ 3.56Å; H52-Y81 AromaticContact NE2-CE1 4Å; A55-Y81 HydrophobicContact CB-CD2 4.44Å; A55-Y81 HydrophobicContact CB-CG 4.37Å; V68-Y81 HydrophobicContact CG1-CD1 4.06Å; V68-Y81 HydrophobicContact CG1-CG 4.25Å; E69-Y81 WeakPolarHBondContact O-CD1 3.4Å; N70-Y81 HydrophobicContact CB-CD1 4.33Å; N70-Y81 HydrophobicContact CB-CE1 3.71Å; V79-Y81 HydrophobicContact CB-CE2 3.77Å; V79-Y81 HydrophobicContact CG2-CD2 4.35Å; V79-Y81 HydrophobicContact CG2-CE2 3.45Å; V79-Y81 VanDerWaalsContact CG2-CE2 3.45Å; Y81-L87 CarbonylContact O-C 3.55Å; Y81-L87 WeakPolarHBondContact O-CA 3.46Å; Y81-L87 WeakPolarHBondContact O-CD1 3.49Å; Y81-F88 HydrophobicContact CD2-CB 4.24Å; Y81-F88 PolarHBondContact N-O 3.35Å; Y81-F88 PolarHBondContact O-N 3Å
82K98.7Very high98.3Very high52 Ų5235.5 Ų35.523%0.22619%0.188CC..EExtended strand (participates in β ladder)trans-135.7133.6173.5-171176.9-172.3-78.50110.3K35 F36 D38 V39 I71 D84 I86 L87K35-K82 WeakPolarHBondContact O-CD 2.98Å; K35-K82 WeakPolarHBondContact O-CE 3.36Å; F36-K82 HydrophobicContact CD1-CD 4.08Å; F36-K82 HydrophobicContact CE1-CD 4.49Å; D38-K82 WeakPolarHBondContact OD1-CE 3.47Å; D38-K82 IonicContact OD1-NZ 2.79Å; D38-K82 PolarHBondContact OD1-NZ 3.05Å; D38-K82 IonicContact OD2-NZ 3.2Å; D38-K82 PolarHBondContact OD2-NZ 2.79Å; V39-K82 HydrophobicContact CG2-CD 4.45Å; I71-K82 HydrophobicContact CD1-CB 3.77Å; K82-D84 WeakPolarHBondContact CE-O 3.05Å; K82-D84 PolarHBondContact NZ-O 2.86Å; K82-I86 WeakPolarHBondContact CA-O 3.15Å; K82-L87 HydrophobicContact CB-CD1 4.1Å; K82-L87 HydrophobicContact CG-CD1 4.34Å
83V98.7Very high98.3Very high5 Ų541.1 Ų41.13%0.0322%0.216CC..EExtended strand (participates in β ladder)trans-133.3113.1171-178.30000107A55 M58 A59 A62 L64 V68 H85 I86 F88 I293A55-V83 HydrophobicContact CB-CG2 4.48Å; M58-V83 HydrophobicContact CB-CG1 4.39Å; A59-V83 HydrophobicContact CB-CG1 4.16Å; A59-V83 HydrophobicContact CB-CG2 4.08Å; A62-V83 HydrophobicContact CB-CG1 4.34Å; L64-V83 HydrophobicContact CD1-CG1 3.8Å; V68-V83 HydrophobicContact CG1-CG2 4.11Å; V68-V83 HydrophobicContact CG2-CG2 4.33Å; V83-H85 PolarHBondContact O-N 2.83Å; V83-H85 VanDerWaalsContact O-N 3.14Å; V83-I86 PolarHBondContact N-O 2.97Å; V83-I86 PolarHBondContact O-N 2.92Å; V83-F88 HydrophobicContact CB-CE2 3.74Å; V83-F88 HydrophobicContact CB-CZ 4.29Å; V83-F88 HydrophobicContact CG2-CD2 4.47Å; V83-F88 HydrophobicContact CG2-CE2 3.73Å; V83-F88 HydrophobicContact CG2-CZ 4.33Å; V83-I293 HydrophobicContact CG1-CG2 4.23Å
84D98.2Very high98.4Very high22 Ų2240.2 Ų40.212%0.11821%0.207CC..THydrogen-bonded Turntrans44.6-119.4-173.2-64.9-31.5000111K82 I86 I294 R296K82-D84 WeakPolarHBondContact CE-O 3.05Å; K82-D84 PolarHBondContact NZ-O 2.86Å; D84-I86 VanDerWaalsContact C-N 3.29Å; D84-I86 PolarHBondContact O-N 2.85Å; D84-I294 PolarHBondContact OD2-N 3.32Å; D84-R296 IonicContact OD1-CZ 2.81Å; D84-R296 IonicContact OD1-NH1 2.64Å; D84-R296 PolarHBondContact OD1-NH1 2.99Å; D84-R296 IonicContact OD1-NH2 2.76Å; D84-R296 PolarHBondContact OD1-NH2 2.84Å; D84-R296 IonicContact OD2-CZ 3.69Å; D84-R296 IonicContact OD2-NH1 3.87Å; D84-R296 PolarHBondContact OD2-NH1 3.34Å; D84-R296 IonicContact OD2-NH2 2.86Å
85H98.7Very high98.5Very high47 Ų4735.6 Ų35.622%0.21817%0.173CC..THydrogen-bonded Turntrans-90.213.5-174.5-52.4-42.1000113.7D38 K40 F41 V83 N291 G292D38-H85 WeakPolarHBondContact O-CB 3.41Å; D38-H85 PolarHBondContact O-ND1 3.46Å; D38-H85 IonicContact OD2-CE1 2.85Å; D38-H85 PolarHBondContact OD2-CE1 3Å; D38-H85 IonicContact OD2-CG 3.84Å; D38-H85 IonicContact OD2-ND1 3.85Å; D38-H85 PolarHBondContact OD2-ND1 2.66Å; K40-H85 HydrophobicContact CB-CB 4.42Å; K40-H85 HydrophobicContact CG-CB 4.47Å; K40-H85 PolarHBondContact N-O 3.13Å; F41-H85 PolarHBondContact N-O 3.32Å; F41-H85 VanDerWaalsContact N-O 3.13Å; V83-H85 PolarHBondContact O-N 2.83Å; V83-H85 VanDerWaalsContact O-N 3.14Å; H85-N291 PolarHBondContact CD2-O 3.32Å; H85-N291 VanDerWaalsContact CD2-O 3.29Å; H85-G292 PolarHBondContact N-O 2.9Å; H85-G292 VanDerWaalsContact N-O 3.1Å
86I98.9Very high98.6Very high0 Ų031.5 Ų31.50%016%0.162CC..EExtended strand (participates in β ladder)trans-115.5127.3-178.3-51.2147.1000110.2F41 C43 M58 K82 V83 D84 F88 L287 G292 I293F41-I86 HydrophobicContact CB-CB 4.5Å; F41-I86 HydrophobicContact CB-CG1 4.12Å; F41-I86 HydrophobicContact CB-CG2 4.24Å; F41-I86 HydrophobicContact CD2-CG1 4.34Å; F41-I86 WeakPolarHBondContact O-CA 3.42Å; C43-I86 HydrophobicContact CB-CG2 4.45Å; M58-I86 HydrophobicContact CE-CD1 3.8Å; K82-I86 WeakPolarHBondContact CA-O 3.15Å; V83-I86 PolarHBondContact N-O 2.97Å; V83-I86 PolarHBondContact O-N 2.92Å; D84-I86 VanDerWaalsContact C-N 3.29Å; D84-I86 PolarHBondContact O-N 2.85Å; I86-F88 HydrophobicContact CB-CD2 4.49Å; I86-F88 HydrophobicContact CB-CE2 3.63Å; I86-F88 HydrophobicContact CB-CZ 3.69Å; I86-F88 HydrophobicContact CD1-CZ 4.18Å; I86-F88 HydrophobicContact CG2-CD1 4.25Å; I86-F88 HydrophobicContact CG2-CD2 4.05Å; I86-F88 HydrophobicContact CG2-CE1 3.69Å; I86-F88 HydrophobicContact CG2-CE2 3.45Å; I86-F88 VanDerWaalsContact CG2-CE2 3.45Å; I86-F88 HydrophobicContact CG2-CG 4.41Å; I86-F88 HydrophobicContact CG2-CZ 3.25Å; I86-F88 WeakPolarHBondContact O-CE2 3.47Å; I86-L287 HydrophobicContact CD1-CB 4.16Å; I86-L287 HydrophobicContact CD1-CD1 3.84Å; I86-L287 HydrophobicContact CD1-CD2 4.47Å; I86-L287 HydrophobicContact CD1-CG 4.38Å; I86-L287 HydrophobicContact CG1-CD1 4.22Å; I86-L287 HydrophobicContact CG1-CD2 4.24Å; I86-L287 HydrophobicContact CG2-CD1 4.41Å; I86-G292 WeakPolarHBondContact CD1-O 3.44Å; I86-G292 WeakPolarHBondContact CG1-O 3.47Å; I86-I293 HydrophobicContact CD1-CG2 3.57Å
87L98.9Very high98.7Very high0 Ų031.8 Ų31.80%016%0.162CC..EExtended strand (participates in β ladder)trans-98.7144167.9-157.269.3000109.5F36 V39 F41 V42 C43 L80 Y81 K82 V105 L108F36-L87 HydrophobicContact CD1-CD1 3.98Å; F36-L87 HydrophobicContact CE1-CD1 3.98Å; V39-L87 HydrophobicContact CG1-CB 4.05Å; V39-L87 HydrophobicContact CG2-CB 4.36Å; F41-L87 PolarHBondContact O-N 2.96Å; V42-L87 CarbonylContact C-O 3.53Å; V42-L87 VanDerWaalsContact CA-O 3.31Å; V42-L87 WeakPolarHBondContact CA-O 3.28Å; V42-L87 HydrophobicContact CG1-CB 4.47Å; V42-L87 HydrophobicContact CG2-CB 4.16Å; C43-L87 PolarHBondContact N-O 3.35Å; L80-L87 HydrophobicContact CD1-CD1 3.96Å; L80-L87 HydrophobicContact CD1-CD2 3.84Å; L80-L87 HydrophobicContact CD1-CG 3.65Å; L80-L87 HydrophobicContact CD2-CD1 4.49Å; L80-L87 HydrophobicContact CG-CD1 4.18Å; L80-L87 HydrophobicContact CG-CG 4.41Å; Y81-L87 CarbonylContact O-C 3.55Å; Y81-L87 WeakPolarHBondContact O-CA 3.46Å; Y81-L87 WeakPolarHBondContact O-CD1 3.49Å; K82-L87 HydrophobicContact CB-CD1 4.1Å; K82-L87 HydrophobicContact CG-CD1 4.34Å; L87-V105 HydrophobicContact CD2-CG1 4.25Å; L87-L108 HydrophobicContact CD2-CD2 4.19Å
88F98.9Very high98.7Very high0 Ų022.6 Ų22.60%013%0.128CC..EExtended strand (participates in β ladder)trans-129.8127.5-177-57.8-97.9000109.6C43 I51 F54 A55 M58 L80 Y81 V83 I86C43-F88 HydrophobicContact CB-CD1 3.88Å; C43-F88 HydrophobicContact CB-CE1 4.19Å; C43-F88 WeakPolarHBondContact O-CA 3.42Å; I51-F88 HydrophobicContact CD1-CD1 4.48Å; I51-F88 HydrophobicContact CG1-CB 3.93Å; I51-F88 HydrophobicContact CG1-CD1 4.41Å; F54-F88 AromaticContact CD1-CD1 3.83Å; F54-F88 HydrophobicContact CD1-CD1 3.83Å; F54-F88 AromaticContact CD1-CE1 3.55Å; F54-F88 HydrophobicContact CD1-CE1 3.55Å; F54-F88 HydrophobicContact CE1-CD1 4.3Å; F54-F88 AromaticContact CE1-CE1 3.7Å; F54-F88 HydrophobicContact CE1-CE1 3.7Å; F54-F88 HydrophobicContact CG-CE1 4.41Å; A55-F88 HydrophobicContact CB-CB 4.25Å; A55-F88 HydrophobicContact CB-CD1 3.92Å; A55-F88 HydrophobicContact CB-CD2 3.85Å; A55-F88 HydrophobicContact CB-CE1 4.19Å; A55-F88 HydrophobicContact CB-CE2 4.14Å; A55-F88 HydrophobicContact CB-CG 3.75Å; A55-F88 HydrophobicContact CB-CZ 4.29Å; M58-F88 HydrophobicContact CB-CE1 4.48Å; M58-F88 HydrophobicContact CB-CZ 3.89Å; M58-F88 HydrophobicContact CG-CE1 4.01Å; M58-F88 HydrophobicContact CG-CZ 3.83Å; L80-F88 CarbonylContact C-O 3.51Å; L80-F88 WeakPolarHBondContact CA-O 3.44Å; Y81-F88 HydrophobicContact CD2-CB 4.24Å; Y81-F88 PolarHBondContact N-O 3.35Å; Y81-F88 PolarHBondContact O-N 3Å; V83-F88 HydrophobicContact CB-CE2 3.74Å; V83-F88 HydrophobicContact CB-CZ 4.29Å; V83-F88 HydrophobicContact CG2-CD2 4.47Å; V83-F88 HydrophobicContact CG2-CE2 3.73Å; V83-F88 HydrophobicContact CG2-CZ 4.33Å; I86-F88 HydrophobicContact CB-CD2 4.49Å; I86-F88 HydrophobicContact CB-CE2 3.63Å; I86-F88 HydrophobicContact CB-CZ 3.69Å; I86-F88 HydrophobicContact CD1-CZ 4.18Å; I86-F88 HydrophobicContact CG2-CD1 4.25Å; I86-F88 HydrophobicContact CG2-CD2 4.05Å; I86-F88 HydrophobicContact CG2-CE1 3.69Å; I86-F88 HydrophobicContact CG2-CE2 3.45Å; I86-F88 VanDerWaalsContact CG2-CE2 3.45Å; I86-F88 HydrophobicContact CG2-CG 4.41Å; I86-F88 HydrophobicContact CG2-CZ 3.25Å; I86-F88 WeakPolarHBondContact O-CE2 3.47Å
89A98.9Very high98.7Very high0 Ų023.3 Ų23.30%013%0.132CC..EExtended strand (participates in β ladder)trans-145.4153.317700000112F23 C43 V44 C45 V79 L80 L101F23-A89 HydrophobicContact CE1-CB 4.29Å; F23-A89 HydrophobicContact CZ-CB 4.25Å; C43-A89 PolarHBondContact O-N 3.49Å; C43-A89 VanDerWaalsContact O-N 3.1Å; V44-A89 WeakPolarHBondContact CA-O 3.21Å; C45-A89 PolarHBondContact N-O 2.9Å; V79-A89 VanDerWaalsContact O-CA 3.32Å; V79-A89 WeakPolarHBondContact O-CA 3.45Å; V79-A89 WeakPolarHBondContact O-CB 3.45Å; L80-A89 HydrophobicContact CD1-CB 3.95Å; A89-L101 HydrophobicContact CB-CD1 3.74Å; A89-L101 HydrophobicContact CB-CD2 4.26Å
90D98.8Very high98.7Very high13 Ų1325.2 Ų25.27%0.0714%0.141CC..EExtended strand (participates in β ladder)trans-92.7156.2167.872.8-48.8000111.7C45 I51 F78 V79 L101C45-D90 CarbonylContact O-C 3.54Å; C45-D90 WeakPolarHBondContact O-CA 3.42Å; C45-D90 WeakPolarHBondContact O-CB 3.38Å; I51-D90 HydrophobicContact CG2-CB 4.2Å; F78-D90 VanDerWaalsContact CA-OD1 3.26Å; F78-D90 WeakPolarHBondContact CA-OD1 3.22Å; F78-D90 WeakPolarHBondContact CD1-O 3.27Å; F78-D90 WeakPolarHBondContact CG-O 3.46Å; V79-D90 HydrophobicContact CG2-CB 4.32Å; V79-D90 VanDerWaalsContact CG2-OD1 3.3Å; V79-D90 WeakPolarHBondContact CG2-OD1 3.34Å; V79-D90 PolarHBondContact N-OD1 3.27Å; D90-L101 WeakPolarHBondContact O-CD1 3.43Å
91H98.7Very high98.7Very high0 Ų025.2 Ų25.20%014%0.141CC..  trans-125.26-178.159.955.8000114C45 G46 S97 T98 L101 R121C45-H91 VanDerWaalsContact C-CE1 3.41Å; C45-H91 VanDerWaalsContact CA-NE2 3.32Å; C45-H91 WeakPolarHBondContact CA-NE2 3.35Å; C45-H91 PolarHBondContact O-N 3.05Å; G46-H91 WeakPolarHBondContact CA-CE1 3.4Å; G46-H91 PolarHBondContact N-CE1 2.82Å; G46-H91 PolarHBondContact N-NE2 3.41Å; H91-S97 CarbonylContact O-C 3.52Å; H91-S97 VanDerWaalsContact O-CB 3.27Å; H91-S97 WeakPolarHBondContact O-CB 3.46Å; H91-S97 PolarHBondContact O-OG 3.42Å; H91-T98 HydrophobicContact CB-CG2 4.41Å; H91-L101 HydrophobicContact CB-CB 4.17Å; H91-L101 HydrophobicContact CB-CD2 3.57Å; H91-L101 HydrophobicContact CB-CG 4.43Å; H91-R121 PolarHBondContact CE1-NH1 2.78Å; H91-R121 PolarHBondContact NE2-NH1 2.88Å
92G98.4Very high98.7Very high18 Ų1824.6 Ų24.619%0.18614%0.139CC..  trans60.4-141.3-172.300000112.6G46G46-G92 WeakPolarHBondContact CA-O 3.45Å
93I98.6Very high98.7Very high126 Ų12626.7 Ų26.765%0.64615%0.149SC*.SBendtrans-125.9138.5-174.2-57.5172.8000110.3S97 M233 E234I93-S97 VanDerWaalsContact O-CB 3.29Å; I93-S97 WeakPolarHBondContact O-CB 3.47Å; I93-M233 HydrophobicContact CG2-CE 4.12Å; I93-M233 HydrophobicContact CG2-SD 4.03Å; I93-E234 WeakPolarHBondContact CA-OE1 3.12Å
94G98.6Very high98.7Very high6 Ų627.1 Ų27.16%0.06215%0.151CC..Hα-helixtrans86.2162.9173.900000114.7S97 T98 M233 E234G94-S97 PolarHBondContact O-N 2.98Å; G94-T98 WeakPolarHBondContact O-CB 3.35Å; G94-T98 PolarHBondContact O-N 2.89Å; G94-T98 VanDerWaalsContact O-N 3.09Å; G94-T98 PolarHBondContact O-OG1 2.97Å; G94-M233 CarbonylContact C-O 3.55Å; G94-M233 WeakPolarHBondContact CA-O 3.39Å; G94-E234 PolarHBondContact N-OE1 3.39Å
95I98.8Very high98.7Very high16 Ų1626.1 Ų26.18%0.08215%0.145CC..Hα-helixtrans-51.8-46.9176.5-67.3-176.4000112.4T98 L99 T193 N195 M233 A237I95-T98 PolarHBondContact O-N 3.23Å; I95-L99 HydrophobicContact CG2-CD1 3.71Å; I95-L99 HydrophobicContact CG2-CG 4.16Å; I95-L99 WeakPolarHBondContact O-CG 3.37Å; I95-L99 PolarHBondContact O-N 2.91Å; I95-T193 HydrophobicContact CD1-CG2 3.8Å; I95-T193 HydrophobicContact CG1-CG2 3.89Å; I95-N195 WeakPolarHBondContact CD1-OD1 3.4Å; I95-M233 PolarHBondContact N-O 3.22Å; I95-M233 VanDerWaalsContact N-O 3.11Å; I95-A237 HydrophobicContact CB-CB 4.39Å; I95-A237 HydrophobicContact CG1-CB 4.27Å; I95-A237 HydrophobicContact CG2-CB 4.04Å
96P98.7Very high98.7Very high92 Ų9224.5 Ų24.560%0.59714%0.138SC*.Hα-helixtrans-62.7-48.9-176.6-2536.1000113.5T98 L99 I100P96-T98 VanDerWaalsContact C-N 3.28Å; P96-T98 PolarHBondContact O-N 3.21Å; P96-L99 PolarHBondContact O-N 3.41Å; P96-I100 WeakPolarHBondContact O-CG1 3.32Å; P96-I100 PolarHBondContact O-N 3.12Å
97S98.8Very high98.7Very high31 Ų3126.4 Ų26.422%0.21715%0.147CC..Hα-helixtrans-60.7-41.7178-173.90000110.8H91 I93 G94 I100 L101H91-S97 CarbonylContact O-C 3.52Å; H91-S97 VanDerWaalsContact O-CB 3.27Å; H91-S97 WeakPolarHBondContact O-CB 3.46Å; H91-S97 PolarHBondContact O-OG 3.42Å; I93-S97 VanDerWaalsContact O-CB 3.29Å; I93-S97 WeakPolarHBondContact O-CB 3.47Å; G94-S97 PolarHBondContact O-N 2.98Å; S97-I100 WeakPolarHBondContact O-CB 3.35Å; S97-I100 PolarHBondContact O-N 2.77Å; S97-L101 PolarHBondContact O-N 2.96Å
98T98.8Very high98.7Very high0 Ų026.4 Ų26.40%015%0.147CC..Hα-helixtrans-65.5-42.1178.8-580000112.5H91 G94 I95 P96 I100 L101 M102 E234 A237 I238H91-T98 HydrophobicContact CB-CG2 4.41Å; G94-T98 WeakPolarHBondContact O-CB 3.35Å; G94-T98 PolarHBondContact O-N 2.89Å; G94-T98 VanDerWaalsContact O-N 3.09Å; G94-T98 PolarHBondContact O-OG1 2.97Å; I95-T98 PolarHBondContact O-N 3.23Å; P96-T98 VanDerWaalsContact C-N 3.28Å; P96-T98 PolarHBondContact O-N 3.21Å; T98-I100 VanDerWaalsContact C-N 3.27Å; T98-I100 PolarHBondContact O-N 2.89Å; T98-L101 WeakPolarHBondContact O-CB 3.26Å; T98-L101 PolarHBondContact O-N 3.48Å; T98-L101 VanDerWaalsContact O-N 3.16Å; T98-M102 HydrophobicContact CG2-CG 4.12Å; T98-M102 VanDerWaalsContact O-CG 3.28Å; T98-M102 WeakPolarHBondContact O-CG 3.48Å; T98-M102 PolarHBondContact O-N 3.01Å; T98-E234 HydrophobicContact CG2-CB 4.27Å; T98-E234 WeakPolarHBondContact OG1-CG 3.28Å; T98-A237 HydrophobicContact CG2-CB 4.12Å; T98-I238 HydrophobicContact CG2-CD1 3.94Å; T98-I238 HydrophobicContact CG2-CG1 3.51Å
99L98.8Very high98.6Very high26 Ų2626.4 Ų26.414%0.13615%0.147CC..Hα-helixtrans-63-33.4178.9-76.5174.5000112.5I95 P96 M102 H103 L152 A237I95-L99 HydrophobicContact CG2-CD1 3.71Å; I95-L99 HydrophobicContact CG2-CG 4.16Å; I95-L99 WeakPolarHBondContact O-CG 3.37Å; I95-L99 PolarHBondContact O-N 2.91Å; P96-L99 PolarHBondContact O-N 3.41Å; L99-M102 PolarHBondContact O-N 3.46Å; L99-H103 WeakPolarHBondContact O-CB 3.4Å; L99-H103 PolarHBondContact O-CD2 3.43Å; L99-H103 PolarHBondContact O-N 2.97Å; L99-L152 HydrophobicContact CD1-CD2 4.06Å; L99-A237 HydrophobicContact CD2-CB 4.01Å; L99-A237 HydrophobicContact CG-CB 4.05Å
100I98.8Very high98.6Very high63 Ų6330.8 Ų30.832%0.32316%0.164SC..Hα-helixtrans-59.4-51.7172.7-61.6171.1000109.9H22 F78 P96 S97 T98 M102 H103 E104H22-I100 HydrophobicContact CB-CG2 3.94Å; H22-I100 VanDerWaalsContact CD2-CG2 3.49Å; H22-I100 WeakPolarHBondContact CD2-CG2 3.31Å; H22-I100 VanDerWaalsContact CE1-CG2 3.49Å; H22-I100 WeakPolarHBondContact CE1-CG2 3.45Å; H22-I100 VanDerWaalsContact ND1-CG2 3.31Å; H22-I100 WeakPolarHBondContact ND1-CG2 3.43Å; F78-I100 HydrophobicContact CE2-CB 4.16Å; F78-I100 HydrophobicContact CE2-CG2 3.81Å; F78-I100 HydrophobicContact CZ-CB 4.46Å; F78-I100 HydrophobicContact CZ-CG2 4.49Å; P96-I100 WeakPolarHBondContact O-CG1 3.32Å; P96-I100 PolarHBondContact O-N 3.12Å; S97-I100 WeakPolarHBondContact O-CB 3.35Å; S97-I100 PolarHBondContact O-N 2.77Å; T98-I100 VanDerWaalsContact C-N 3.27Å; T98-I100 PolarHBondContact O-N 2.89Å; I100-M102 VanDerWaalsContact C-N 3.33Å; I100-M102 PolarHBondContact O-N 3.32Å; I100-H103 PolarHBondContact O-N 2.63Å; I100-E104 PolarHBondContact O-N 2.64Å; I100-E104 VanDerWaalsContact O-N 3.14Å
101L98.7Very high98.5Very high0 Ų032.7 Ų32.70%017%0.171CC..Hα-helixtrans-55.7-50.1175.6-179.776.4000110.8F23 V44 F78 A89 D90 H91 S97 T98 H103 E104 V105F23-L101 HydrophobicContact CE1-CD1 4.06Å; F23-L101 HydrophobicContact CE2-CD1 4.09Å; F23-L101 HydrophobicContact CZ-CD1 3.35Å; V44-L101 HydrophobicContact CB-CD2 4.2Å; V44-L101 HydrophobicContact CG1-CD2 3.76Å; F78-L101 HydrophobicContact CB-CD1 4.41Å; F78-L101 HydrophobicContact CD2-CB 4.38Å; F78-L101 HydrophobicContact CD2-CD1 4.01Å; F78-L101 HydrophobicContact CE2-CB 4.06Å; F78-L101 HydrophobicContact CG-CD1 4.2Å; F78-L101 HydrophobicContact CZ-CB 4.37Å; A89-L101 HydrophobicContact CB-CD1 3.74Å; A89-L101 HydrophobicContact CB-CD2 4.26Å; D90-L101 WeakPolarHBondContact O-CD1 3.43Å; H91-L101 HydrophobicContact CB-CB 4.17Å; H91-L101 HydrophobicContact CB-CD2 3.57Å; H91-L101 HydrophobicContact CB-CG 4.43Å; S97-L101 PolarHBondContact O-N 2.96Å; T98-L101 WeakPolarHBondContact O-CB 3.26Å; T98-L101 PolarHBondContact O-N 3.48Å; T98-L101 VanDerWaalsContact O-N 3.16Å; L101-H103 VanDerWaalsContact C-N 3.31Å; L101-H103 PolarHBondContact O-N 3.04Å; L101-E104 PolarHBondContact O-N 3.22Å; L101-V105 HydrophobicContact CD1-CG2 3.68Å; L101-V105 HydrophobicContact CG-CG2 3.89Å; L101-V105 WeakPolarHBondContact O-CG2 3.41Å; L101-V105 PolarHBondContact O-N 3.36Å
102M98.7Very high98.5Very high0 Ų032.9 Ų32.90%017%0.172CC..Hα-helixtrans-59.6-42.2-176.2-66.6-50.3-62.100111.7T98 L99 I100 T106 F119 I238 H241 C242T98-M102 HydrophobicContact CG2-CG 4.12Å; T98-M102 VanDerWaalsContact O-CG 3.28Å; T98-M102 WeakPolarHBondContact O-CG 3.48Å; T98-M102 PolarHBondContact O-N 3.01Å; L99-M102 PolarHBondContact O-N 3.46Å; I100-M102 VanDerWaalsContact C-N 3.33Å; I100-M102 PolarHBondContact O-N 3.32Å; M102-T106 HydrophobicContact CE-CG2 4.46Å; M102-T106 VanDerWaalsContact O-CB 3.31Å; M102-T106 WeakPolarHBondContact O-CB 3.49Å; M102-T106 WeakPolarHBondContact O-CG2 3.5Å; M102-T106 PolarHBondContact O-N 3.07Å; M102-T106 PolarHBondContact O-OG1 3.4Å; M102-F119 HydrophobicContact CE-CD1 3.69Å; M102-F119 HydrophobicContact CE-CE1 3.63Å; M102-F119 HydrophobicContact CE-CG 4.31Å; M102-F119 HydrophobicContact CE-CZ 4.21Å; M102-F119 HydrophobicContact SD-CD1 4.14Å; M102-F119 HydrophobicContact SD-CE1 4.14Å; M102-I238 HydrophobicContact CE-CG2 4.45Å; M102-I238 HydrophobicContact SD-CG1 4.06Å; M102-I238 HydrophobicContact SD-CG2 4.48Å; M102-H241 HydrophobicContact CB-CB 4.26Å; M102-H241 HydrophobicContact CE-CB 4.39Å; M102-H241 HydrophobicContact CG-CB 4.42Å; M102-C242 WeakPolarHBondContact CE-SG 3.35Å
103H98.7Very high98.4Very high96 Ų9633.9 Ų33.944%0.44418%0.183SC..Hα-helixtrans-61.2-48.2175.8-88.1-74.4000112L99 I100 L101 T106 K107 H241L99-H103 WeakPolarHBondContact O-CB 3.4Å; L99-H103 PolarHBondContact O-CD2 3.43Å; L99-H103 PolarHBondContact O-N 2.97Å; I100-H103 PolarHBondContact O-N 2.63Å; L101-H103 VanDerWaalsContact C-N 3.31Å; L101-H103 PolarHBondContact O-N 3.04Å; H103-T106 PolarHBondContact O-OG1 2.79Å; H103-K107 WeakPolarHBondContact O-CB 3.21Å; H103-K107 VanDerWaalsContact O-CG 3.32Å; H103-K107 WeakPolarHBondContact O-CG 3.08Å; H103-K107 PolarHBondContact O-N 2.74Å; H103-K107 VanDerWaalsContact O-N 3.15Å; H103-H241 AromaticContact CD2-CE1 3.68Å; H103-H241 AromaticContact CE1-CE1 3.69Å; H103-H241 AromaticContact CG-CE1 3.77Å; H103-H241 AromaticContact ND1-CE1 3.77Å; H103-H241 AromaticContact NE2-CE1 3.61Å
104E98.7Very high98.4Very high14 Ų1428.2 Ų28.27%0.06515%0.154CC..Hα-helixtrans-71.2-42.9-177.9-75.9-166.4-164.500112.5F20 H21 H22 F23 I100 L101 T106 K107 L108F20-E104 HydrophobicContact CD1-CB 3.91Å; F20-E104 HydrophobicContact CD1-CG 4.14Å; F20-E104 WeakPolarHBondContact CE1-O 3.46Å; H21-E104 PolarHBondContact N-OE1 3.47Å; H22-E104 WeakPolarHBondContact CB-OE1 3.43Å; H22-E104 IonicContact CE1-OE1 2.74Å; H22-E104 IonicContact CG-OE1 2.77Å; H22-E104 PolarHBondContact N-OE1 2.9Å; H22-E104 PolarHBondContact N-OE2 2.78Å; H22-E104 IonicContact ND1-OE1 2.72Å; H22-E104 PolarHBondContact ND1-OE1 3.4Å; F23-E104 HydrophobicContact CD2-CB 3.79Å; F23-E104 VanDerWaalsContact CD2-OE2 3.27Å; F23-E104 WeakPolarHBondContact CD2-OE2 3.4Å; F23-E104 HydrophobicContact CE2-CB 3.74Å; F23-E104 PolarHBondContact N-OE2 3.11Å; F23-E104 VanDerWaalsContact N-OE2 3.15Å; I100-E104 PolarHBondContact O-N 2.64Å; I100-E104 VanDerWaalsContact O-N 3.14Å; L101-E104 PolarHBondContact O-N 3.22Å; E104-T106 PolarHBondContact O-N 3.25Å; E104-K107 PolarHBondContact O-N 3.22Å; E104-L108 WeakPolarHBondContact O-CB 3.14Å; E104-L108 PolarHBondContact O-N 2.81Å
105V98.7Very high98.3Very high0 Ų034.7 Ų34.70%018%0.181CC..Hα-helixtrans-66.5-42.1178.3178.40000111.5F23 V42 L87 L101 K107 L108 L109 F119F23-V105 HydrophobicContact CE2-CG2 3.68Å; F23-V105 HydrophobicContact CZ-CG2 3.59Å; V42-V105 HydrophobicContact CG1-CG1 4.11Å; V42-V105 HydrophobicContact CG2-CG1 4.28Å; L87-V105 HydrophobicContact CD2-CG1 4.25Å; L101-V105 HydrophobicContact CD1-CG2 3.68Å; L101-V105 HydrophobicContact CG-CG2 3.89Å; L101-V105 WeakPolarHBondContact O-CG2 3.41Å; L101-V105 PolarHBondContact O-N 3.36Å; V105-K107 PolarHBondContact O-N 2.73Å; V105-L108 WeakPolarHBondContact O-CB 3.47Å; V105-L108 PolarHBondContact O-N 3.17Å; V105-L109 HydrophobicContact CG1-CD1 4.26Å; V105-L109 HydrophobicContact CG1-CG 4.36Å; V105-L109 VanDerWaalsContact O-CG 3.32Å; V105-L109 WeakPolarHBondContact O-CG 3.28Å; V105-L109 PolarHBondContact O-N 2.96Å; V105-F119 HydrophobicContact CB-CE1 4.36Å; V105-F119 HydrophobicContact CG1-CE1 3.79Å; V105-F119 HydrophobicContact CG1-CZ 3.77Å
106T98.5Very high98.2Very high13 Ų1338 Ų388%0.0820%0.199CC..Hα-helixtrans-69.7-32.9-179.758.50000112.7M102 H103 E104 L109 Y110 F119 H241 T245M102-T106 HydrophobicContact CE-CG2 4.46Å; M102-T106 VanDerWaalsContact O-CB 3.31Å; M102-T106 WeakPolarHBondContact O-CB 3.49Å; M102-T106 WeakPolarHBondContact O-CG2 3.5Å; M102-T106 PolarHBondContact O-N 3.07Å; M102-T106 PolarHBondContact O-OG1 3.4Å; H103-T106 PolarHBondContact O-OG1 2.79Å; E104-T106 PolarHBondContact O-N 3.25Å; T106-L109 PolarHBondContact O-N 2.89Å; T106-Y110 WeakPolarHBondContact O-CB 3.36Å; T106-Y110 PolarHBondContact O-N 3.32Å; T106-F119 HydrophobicContact CG2-CZ 3.96Å; T106-H241 PolarHBondContact OG1-NE2 3.31Å; T106-T245 HydrophobicContact CG2-CG2 4.18Å
107K98.1Very high98.2Very high41 Ų4133.7 Ų33.718%0.17817%0.17CC..Hα-helixtrans-62.9-43.4167.4-75.7-165.4-49.8166.90111.8L12 D18 F20 H103 E104 V105 L109 Y110 Y111L12-K107 HydrophobicContact CD1-CD 4.06Å; L12-K107 HydrophobicContact CD1-CG 3.97Å; L12-K107 HydrophobicContact CD2-CD 3.63Å; L12-K107 HydrophobicContact CD2-CG 4.46Å; D18-K107 IonicContact OD1-NZ 3.39Å; D18-K107 PolarHBondContact OD1-NZ 3.25Å; D18-K107 VanDerWaalsContact OD2-CD 3.29Å; D18-K107 WeakPolarHBondContact OD2-CD 3.43Å; D18-K107 VanDerWaalsContact OD2-CE 3.26Å; D18-K107 WeakPolarHBondContact OD2-CE 3.3Å; D18-K107 IonicContact OD2-NZ 2.95Å; D18-K107 PolarHBondContact OD2-NZ 3.29Å; F20-K107 HydrophobicContact CE1-CB 3.74Å; F20-K107 HydrophobicContact CZ-CB 4.12Å; H103-K107 WeakPolarHBondContact O-CB 3.21Å; H103-K107 VanDerWaalsContact O-CG 3.32Å; H103-K107 WeakPolarHBondContact O-CG 3.08Å; H103-K107 PolarHBondContact O-N 2.74Å; H103-K107 VanDerWaalsContact O-N 3.15Å; E104-K107 PolarHBondContact O-N 3.22Å; V105-K107 PolarHBondContact O-N 2.73Å; K107-L109 VanDerWaalsContact C-N 3.35Å; K107-L109 PolarHBondContact O-N 3.47Å; K107-Y110 WeakPolarHBondContact O-CB 3.44Å; K107-Y110 PolarHBondContact O-N 3.06Å; K107-Y110 VanDerWaalsContact O-N 3.15Å; K107-Y111 HydrophobicContact CB-CE2 4.39Å; K107-Y111 WeakPolarHBondContact O-CD2 3.44Å; K107-Y111 PolarHBondContact O-N 2.95Å
108L98.4Very high98.2Very high0 Ų032.2 Ų32.20%016%0.16CC..Hα-helixtrans-57.3-49.4175.9175.7162.2000110.7F20 F25 F32 F36 L80 L87 E104 V105 Y110 Y111 A112F20-L108 HydrophobicContact CE1-CB 3.93Å; F20-L108 HydrophobicContact CZ-CB 4.26Å; F25-L108 HydrophobicContact CE2-CD1 4.27Å; F25-L108 HydrophobicContact CZ-CD1 3.96Å; F32-L108 HydrophobicContact CD1-CB 4.48Å; F32-L108 HydrophobicContact CD1-CG 4Å; F32-L108 HydrophobicContact CE1-CB 4.08Å; F32-L108 HydrophobicContact CE1-CD1 4.38Å; F32-L108 HydrophobicContact CE1-CG 3.78Å; F36-L108 HydrophobicContact CB-CD2 3.93Å; F36-L108 HydrophobicContact CD1-CD2 4.19Å; F36-L108 HydrophobicContact CD2-CD1 4.34Å; F36-L108 HydrophobicContact CD2-CD2 3.94Å; F36-L108 HydrophobicContact CD2-CG 4.12Å; F36-L108 HydrophobicContact CE1-CD1 4.42Å; F36-L108 HydrophobicContact CE2-CD1 4.07Å; F36-L108 HydrophobicContact CE2-CD2 4.48Å; F36-L108 HydrophobicContact CE2-CG 4.28Å; F36-L108 HydrophobicContact CG-CD2 3.78Å; F36-L108 HydrophobicContact CG-CG 4.44Å; F36-L108 HydrophobicContact CZ-CD1 4.1Å; L80-L108 HydrophobicContact CD2-CD1 3.99Å; L87-L108 HydrophobicContact CD2-CD2 4.19Å; E104-L108 WeakPolarHBondContact O-CB 3.14Å; E104-L108 PolarHBondContact O-N 2.81Å; V105-L108 WeakPolarHBondContact O-CB 3.47Å; V105-L108 PolarHBondContact O-N 3.17Å; L108-Y110 VanDerWaalsContact C-N 3.28Å; L108-Y110 PolarHBondContact O-N 2.9Å; L108-Y111 PolarHBondContact O-N 3.27Å; L108-A112 VanDerWaalsContact O-CB 3.31Å; L108-A112 WeakPolarHBondContact O-CB 3.32Å; L108-A112 PolarHBondContact O-N 2.95Å
109L98.4Very high98.2Very high0 Ų032.2 Ų32.20%016%0.16CC..Hα-helixtrans-61.1-37.3176.9-66.2176.5000112V39 V42 V105 T106 K107 A112 G113 C114 V117 F119V39-L109 HydrophobicContact CB-CD2 4.22Å; V39-L109 HydrophobicContact CG1-CD2 3.89Å; V42-L109 HydrophobicContact CG2-CD1 4.21Å; V105-L109 HydrophobicContact CG1-CD1 4.26Å; V105-L109 HydrophobicContact CG1-CG 4.36Å; V105-L109 VanDerWaalsContact O-CG 3.32Å; V105-L109 WeakPolarHBondContact O-CG 3.28Å; V105-L109 PolarHBondContact O-N 2.96Å; T106-L109 PolarHBondContact O-N 2.89Å; K107-L109 VanDerWaalsContact C-N 3.35Å; K107-L109 PolarHBondContact O-N 3.47Å; L109-A112 PolarHBondContact O-N 2.57Å; L109-G113 PolarHBondContact O-N 2.76Å; L109-G113 VanDerWaalsContact O-N 3.08Å; L109-C114 HydrophobicContact CB-CB 4.06Å; L109-C114 HydrophobicContact CD2-CB 3.93Å; L109-C114 PolarHBondContact O-N 3.4Å; L109-V117 HydrophobicContact CD1-CB 4.07Å; L109-V117 HydrophobicContact CD1-CG1 3.93Å; L109-V117 HydrophobicContact CD1-CG2 4.11Å; L109-V117 HydrophobicContact CD2-CG2 4.22Å; L109-F119 HydrophobicContact CD1-CE2 3.62Å; L109-F119 HydrophobicContact CD1-CZ 3.57Å
110Y97.2Very high98.2Very high91 Ų9131 Ų3136%0.35715%0.154SC..Hα-helixtrans-61.1-51.4174.4169.2-97.4000111.9V8 L12 T106 K107 L108 A112 G113V8-Y110 HydrophobicContact CB-CE2 4.46Å; V8-Y110 HydrophobicContact CG1-CD2 4.22Å; V8-Y110 HydrophobicContact CG1-CE2 3.44Å; V8-Y110 VanDerWaalsContact CG1-CE2 3.44Å; V8-Y110 HydrophobicContact CG2-CE2 4.16Å; L12-Y110 HydrophobicContact CD1-CD1 4.24Å; L12-Y110 HydrophobicContact CD1-CE1 4.34Å; T106-Y110 WeakPolarHBondContact O-CB 3.36Å; T106-Y110 PolarHBondContact O-N 3.32Å; K107-Y110 WeakPolarHBondContact O-CB 3.44Å; K107-Y110 PolarHBondContact O-N 3.06Å; K107-Y110 VanDerWaalsContact O-N 3.15Å; L108-Y110 VanDerWaalsContact C-N 3.28Å; L108-Y110 PolarHBondContact O-N 2.9Å; Y110-A112 VanDerWaalsContact C-N 3.29Å; Y110-A112 PolarHBondContact O-N 2.87Å; Y110-G113 PolarHBondContact O-N 2.89Å; Y110-G113 VanDerWaalsContact O-N 3.08Å
111Y97.7Very high98.2Very high53 Ų5328.2 Ų28.221%0.20814%0.139CC..Hα-helixtrans-65.6-31.9177.8-70.5-65.1000112.9D18 F20 T27 K107 L108 G113D18-Y111 HydrophobicContact CB-CE2 3.95Å; D18-Y111 WeakPolarHBondContact CB-OH 3.28Å; D18-Y111 WeakPolarHBondContact OD2-CE2 3.36Å; D18-Y111 PolarHBondContact OD2-OH 3.04Å; F20-Y111 HydrophobicContact CE2-CD2 4.46Å; F20-Y111 AromaticContact CZ-CD2 3.86Å; F20-Y111 HydrophobicContact CZ-CD2 3.86Å; F20-Y111 HydrophobicContact CZ-CE2 4.06Å; T27-Y111 HydrophobicContact CG2-CD1 4.19Å; T27-Y111 HydrophobicContact CG2-CD2 3.76Å; T27-Y111 HydrophobicContact CG2-CE1 4.16Å; T27-Y111 HydrophobicContact CG2-CE2 3.73Å; T27-Y111 HydrophobicContact CG2-CG 4Å; K107-Y111 HydrophobicContact CB-CE2 4.39Å; K107-Y111 WeakPolarHBondContact O-CD2 3.44Å; K107-Y111 PolarHBondContact O-N 2.95Å; L108-Y111 PolarHBondContact O-N 3.27Å; Y111-G113 PolarHBondContact O-N 3.32Å
112A98.2Very high98.2Very high4 Ų428.7 Ų28.73%0.03314%0.142CC..Hα-helixtrans-73.9-11.8174.400000113.8F32 F36 G37 L108 L109 Y110 C114F32-A112 HydrophobicContact CB-CB 4.36Å; F32-A112 VanDerWaalsContact O-CB 3.27Å; F32-A112 WeakPolarHBondContact O-CB 3.45Å; F36-A112 HydrophobicContact CB-CB 3.7Å; G37-A112 WeakPolarHBondContact CA-O 3.49Å; L108-A112 VanDerWaalsContact O-CB 3.31Å; L108-A112 WeakPolarHBondContact O-CB 3.32Å; L108-A112 PolarHBondContact O-N 2.95Å; L109-A112 PolarHBondContact O-N 2.57Å; Y110-A112 VanDerWaalsContact C-N 3.29Å; Y110-A112 PolarHBondContact O-N 2.87Å; A112-C114 VanDerWaalsContact C-N 3.31Å
113G97.1Very high98.2Very high40 Ų4028.8 Ų28.841%0.41214%0.142SC..THydrogen-bonded Turntrans76.813-177.700000114.5L109 Y110 Y111L109-G113 PolarHBondContact O-N 2.76Å; L109-G113 VanDerWaalsContact O-N 3.08Å; Y110-G113 PolarHBondContact O-N 2.89Å; Y110-G113 VanDerWaalsContact O-N 3.08Å; Y111-G113 PolarHBondContact O-N 3.32Å
114C98Very high98.2Very high7 Ų726 Ų265%0.04713%0.132CC..  trans-66.4144.1178.6-55.50000111.1F36 L109 A112 V117F36-C114 PolarHBondContact O-SG 3.22Å; L109-C114 HydrophobicContact CB-CB 4.06Å; L109-C114 HydrophobicContact CD2-CB 3.93Å; L109-C114 PolarHBondContact O-N 3.4Å; A112-C114 VanDerWaalsContact C-N 3.31Å; C114-V117 HydrophobicContact CB-CG2 3.69Å
115K96.6Very high98.2Very high141 Ų14125.6 Ų25.661%0.61313%0.131SC*.  trans-133.2145.2179.8-57.6-64.3174.6-169.70109.6V117K115-V117 PolarHBondContact O-N 3.47Å
116D97.2Very high98.1Very high87 Ų8725.8 Ų25.847%0.46513%0.132SC..SBendtrans50.441.6174.1-169.839.5000114.6R248D116-R248 PolarHBondContact O-NH2 2.89Å; D116-R248 VanDerWaalsContact OD1-CD 3.26Å; D116-R248 WeakPolarHBondContact OD1-CD 3.16Å; D116-R248 WeakPolarHBondContact OD1-CG 3.11Å; D116-R248 IonicContact OD1-CZ 2.87Å; D116-R248 IonicContact OD1-NE 3.8Å; D116-R248 PolarHBondContact OD1-NE 2.76Å; D116-R248 IonicContact OD2-CZ 2.57Å; D116-R248 IonicContact OD2-NE 2.86Å; D116-R248 PolarHBondContact OD2-NE 3.47Å; D116-R248 IonicContact OD2-NH2 3.98Å
117V98.6Very high98.1Very high0 Ų025.1 Ų25.10%013%0.128CC..  trans-71138178.2174.50000109.8V39 V42 L109 C114 K115 F119 H247 R248V39-V117 HydrophobicContact CG1-CG1 4.4Å; V42-V117 HydrophobicContact CG2-CG1 3.62Å; L109-V117 HydrophobicContact CD1-CB 4.07Å; L109-V117 HydrophobicContact CD1-CG1 3.93Å; L109-V117 HydrophobicContact CD1-CG2 4.11Å; L109-V117 HydrophobicContact CD2-CG2 4.22Å; C114-V117 HydrophobicContact CB-CG2 3.69Å; K115-V117 PolarHBondContact O-N 3.47Å; V117-F119 HydrophobicContact CB-CE2 4.46Å; V117-F119 HydrophobicContact CG1-CD2 4.28Å; V117-F119 HydrophobicContact CG1-CE2 4.07Å; V117-H247 WeakPolarHBondContact O-CB 3.14Å; V117-R248 PolarHBondContact O-N 2.9Å
118L98.8Very high98.1Very high0 Ų023.2 Ų23.20%012%0.12CC..EExtended strand (participates in β ladder)trans-93.3113.5175.6179.263.9000110.7K40 F41 V42 I120 D166 A169 R248 I250 Y286K40-L118 PolarHBondContact O-N 3.15Å; F41-L118 CarbonylContact C-O 3.53Å; F41-L118 WeakPolarHBondContact CA-O 3.32Å; F41-L118 HydrophobicContact CD1-CB 3.94Å; F41-L118 HydrophobicContact CD1-CD2 4.06Å; F41-L118 HydrophobicContact CD1-CG 4.39Å; F41-L118 HydrophobicContact CE1-CB 4.28Å; F41-L118 HydrophobicContact CE1-CD2 3.99Å; V42-L118 PolarHBondContact N-O 3.05Å; L118-I120 HydrophobicContact CD2-CD1 3.99Å; L118-I120 HydrophobicContact CD2-CG1 4.07Å; L118-I120 HydrophobicContact CG-CD1 4.3Å; L118-I120 HydrophobicContact CG-CG1 3.87Å; L118-D166 HydrophobicContact CD1-CB 4.42Å; L118-A169 HydrophobicContact CD1-CB 4.46Å; L118-A169 HydrophobicContact CD2-CB 4.09Å; L118-R248 HydrophobicContact CD1-CB 3.68Å; L118-I250 HydrophobicContact CD1-CG1 4.24Å; L118-I250 HydrophobicContact CD1-CG2 4.3Å; L118-I250 HydrophobicContact CD2-CD1 4.43Å; L118-Y286 HydrophobicContact CD2-CE1 4.07Å
119F98.9Very high98.1Very high0 Ų024.8 Ų24.80%014%0.136CC..EExtended strand (participates in β ladder)trans-82.6129.7169.1-75.8-110.3000109.9V42 M102 V105 T106 L109 V117 I238 C242 H247 R248 A249 I250V42-F119 HydrophobicContact CB-CD1 3.81Å; V42-F119 HydrophobicContact CB-CD2 4.41Å; V42-F119 HydrophobicContact CB-CE1 3.9Å; V42-F119 HydrophobicContact CB-CE2 4.47Å; V42-F119 HydrophobicContact CB-CG 4.09Å; V42-F119 HydrophobicContact CB-CZ 4.24Å; V42-F119 HydrophobicContact CG1-CD1 3.89Å; V42-F119 HydrophobicContact CG1-CE1 3.79Å; V42-F119 HydrophobicContact CG1-CZ 4.45Å; V42-F119 HydrophobicContact CG2-CD1 4.44Å; V42-F119 HydrophobicContact CG2-CE1 4.12Å; V42-F119 HydrophobicContact CG2-CE2 4.17Å; V42-F119 HydrophobicContact CG2-CZ 3.98Å; V42-F119 CarbonylContact O-C 3.55Å; V42-F119 WeakPolarHBondContact O-CA 3.35Å; M102-F119 HydrophobicContact CE-CD1 3.69Å; M102-F119 HydrophobicContact CE-CE1 3.63Å; M102-F119 HydrophobicContact CE-CG 4.31Å; M102-F119 HydrophobicContact CE-CZ 4.21Å; M102-F119 HydrophobicContact SD-CD1 4.14Å; M102-F119 HydrophobicContact SD-CE1 4.14Å; V105-F119 HydrophobicContact CB-CE1 4.36Å; V105-F119 HydrophobicContact CG1-CE1 3.79Å; V105-F119 HydrophobicContact CG1-CZ 3.77Å; T106-F119 HydrophobicContact CG2-CZ 3.96Å; L109-F119 HydrophobicContact CD1-CE2 3.62Å; L109-F119 HydrophobicContact CD1-CZ 3.57Å; V117-F119 HydrophobicContact CB-CE2 4.46Å; V117-F119 HydrophobicContact CG1-CD2 4.28Å; V117-F119 HydrophobicContact CG1-CE2 4.07Å; F119-I238 HydrophobicContact CB-CG2 4.43Å; F119-C242 VanDerWaalsContact CD2-SG 3.51Å; F119-C242 VanDerWaalsContact CG-SG 3.5Å; F119-H247 HydrophobicContact CD2-CB 4.07Å; F119-H247 HydrophobicContact CE2-CB 4Å; F119-H247 AromaticContact CE2-CD2 3.7Å; F119-H247 AromaticContact CE2-CG 3.98Å; F119-R248 PolarHBondContact N-O 3.13Å; F119-A249 HydrophobicContact CB-CB 4.44Å; F119-A249 CarbonylContact O-C 3.57Å; F119-A249 VanDerWaalsContact O-CA 3.29Å; F119-A249 WeakPolarHBondContact O-CA 3Å; F119-I250 PolarHBondContact O-N 2.89Å
120I98.9Very high98.1Very high0 Ų025.5 Ų25.50%014%0.14CC..EExtended strand (participates in β ladder)trans-125.1109.1-179.2-50.5-179.3000108.2F41 V42 C43 V44 L118 L122 I250 V252 V283 Y286 L287F41-I120 HydrophobicContact CD1-CD1 4.25Å; V42-I120 PolarHBondContact O-N 3.14Å; C43-I120 WeakPolarHBondContact CA-O 3.43Å; V44-I120 PolarHBondContact N-O 2.93Å; L118-I120 HydrophobicContact CD2-CD1 3.99Å; L118-I120 HydrophobicContact CD2-CG1 4.07Å; L118-I120 HydrophobicContact CG-CD1 4.3Å; L118-I120 HydrophobicContact CG-CG1 3.87Å; I120-L122 HydrophobicContact CG2-CD2 3.97Å; I120-I250 HydrophobicContact CB-CD1 4.39Å; I120-I250 HydrophobicContact CB-CG1 4.13Å; I120-I250 HydrophobicContact CD1-CD1 4.22Å; I120-I250 HydrophobicContact CG1-CD1 3.91Å; I120-I250 HydrophobicContact CG1-CG1 3.84Å; I120-I250 HydrophobicContact CG2-CD1 3.91Å; I120-I250 HydrophobicContact CG2-CG1 3.95Å; I120-V252 HydrophobicContact CG2-CG2 4.17Å; I120-V283 HydrophobicContact CD1-CG1 3.91Å; I120-V283 HydrophobicContact CG2-CG1 3.92Å; I120-V283 HydrophobicContact CG2-CG2 3.92Å; I120-Y286 HydrophobicContact CD1-CD1 4.49Å; I120-L287 HydrophobicContact CD1-CD2 4.08Å
121R98.9Very high98Very high5 Ų527.1 Ų27.12%0.01915%0.149CC..EExtended strand (participates in β ladder)trans-84.6123.6173.2172.8172.4148.887.81.2110.6V44 H91 E232 E234 I238 I250 L251 V252V44-R121 HydrophobicContact CG2-CB 4.07Å; V44-R121 CarbonylContact O-C 3.59Å; V44-R121 WeakPolarHBondContact O-CA 3.09Å; H91-R121 PolarHBondContact CE1-NH1 2.78Å; H91-R121 PolarHBondContact NE2-NH1 2.88Å; R121-E232 IonicContact CZ-OE2 2.77Å; R121-E232 IonicContact NE-OE2 2.82Å; R121-E232 PolarHBondContact NE-OE2 2.86Å; R121-E232 IonicContact NH2-OE2 2.65Å; R121-E232 PolarHBondContact NH2-OE2 3.18Å; R121-E234 IonicContact CZ-OE2 2.87Å; R121-E234 IonicContact NE-OE2 2.77Å; R121-E234 IonicContact NH1-OE2 3.98Å; R121-E234 PolarHBondContact NH1-OE2 2.64Å; R121-E234 IonicContact NH2-OE2 2.76Å; R121-E234 PolarHBondContact NH2-OE2 3.08Å; R121-I238 HydrophobicContact CB-CD1 3.88Å; R121-I238 HydrophobicContact CG-CD1 4.06Å; R121-I250 PolarHBondContact N-O 2.77Å; R121-L251 HydrophobicContact CB-CD1 4.4Å; R121-L251 HydrophobicContact CB-CG 4.06Å; R121-L251 HydrophobicContact CG-CG 4.34Å; R121-V252 PolarHBondContact O-N 3.37Å
122L98.7Very high98Very high11 Ų1126.9 Ų26.96%0.05815%0.154CC..EExtended strand (participates in β ladder)trans-101.580.6176.9-56.2178.2000109.7C43 V44 C45 R50 I51 F54 I120 V252 P279 V283C43-L122 HydrophobicContact CB-CD1 4.34Å; V44-L122 PolarHBondContact O-N 3.41Å; C45-L122 HydrophobicContact CB-CB 4.25Å; C45-L122 WeakPolarHBondContact CB-O 3.29Å; R50-L122 PolarHBondContact NH2-O 3.06Å; I51-L122 HydrophobicContact CD1-CD1 4.37Å; F54-L122 HydrophobicContact CD1-CD1 3.33Å; F54-L122 HydrophobicContact CE1-CD1 3.4Å; F54-L122 HydrophobicContact CG-CD1 3.95Å; F54-L122 HydrophobicContact CZ-CD1 4.06Å; I120-L122 HydrophobicContact CG2-CD2 3.97Å; L122-V252 WeakPolarHBondContact CA-O 3.41Å; L122-V252 HydrophobicContact CD2-CB 4.4Å; L122-P279 HydrophobicContact CB-CB 4.33Å; L122-P279 HydrophobicContact CD2-CB 4.07Å; L122-V283 HydrophobicContact CD2-CB 3.84Å; L122-V283 HydrophobicContact CD2-CG1 4.09Å; L122-V283 HydrophobicContact CD2-CG2 3.58Å
123G98.1Very high97.9Very high1 Ų126.9 Ų26.91%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-97.1168.1-168.600000114.8V252 C253 V254G123-V252 PolarHBondContact N-O 3Å; G123-C253 VanDerWaalsContact O-CA 3.28Å; G123-C253 WeakPolarHBondContact O-CA 3.37Å; G123-V254 PolarHBondContact O-N 2.9Å
124T97.8Very high98Very high38 Ų3825 Ų2523%0.23314%0.135CC..EExtended strand (participates in β ladder)trans-105.7154.2155.947.40000107.3V254 V256 E276T124-V254 CarbonylContact C-O 3.49Å; T124-V254 WeakPolarHBondContact CA-O 3.29Å; T124-V254 HydrophobicContact CG2-CG1 3.94Å; T124-V256 HydrophobicContact CG2-CG1 4.27Å; T124-E276 HydrophobicContact CG2-CG 3.78Å
125S98.5Very high98Very high5 Ų524.7 Ų24.74%0.03513%0.133CC..EExtended strand (participates in β ladder)trans-154.9163.1-17857.30000111.3N230 M231 C253 V254 T255 V256S125-N230 WeakPolarHBondContact CB-ND2 3.4Å; S125-N230 PolarHBondContact OG-ND2 2.94Å; S125-M231 WeakPolarHBondContact CA-O 3.2Å; S125-M231 WeakPolarHBondContact CB-O 3.28Å; S125-C253 WeakPolarHBondContact OG-CB 3.48Å; S125-V254 PolarHBondContact N-O 2.56Å; S125-V254 PolarHBondContact OG-O 3.49Å; S125-V254 VanDerWaalsContact OG-O 3.05Å; S125-T255 CarbonylContact O-C 3.51Å; S125-T255 WeakPolarHBondContact O-CA 3.26Å; S125-V256 PolarHBondContact O-N 2.77Å
126D98Very high98.1Very high4 Ų418 Ų182%0.02110%0.103CC..EExtended strand (participates in β ladder)trans-82.7128166.4-76.9-8.5000109.8R203 N230 M231 V257 R259D126-R203 IonicContact OD1-CZ 2.76Å; D126-R203 IonicContact OD1-NH1 3.72Å; D126-R203 IonicContact OD1-NH2 3.78Å; D126-R203 PolarHBondContact OD1-NH2 2.92Å; D126-R203 IonicContact OD2-CZ 2.78Å; D126-R203 IonicContact OD2-NH1 3.59Å; D126-R203 PolarHBondContact OD2-NH1 2.72Å; D126-R203 IonicContact OD2-NH2 2.65Å; D126-R203 PolarHBondContact OD2-NH2 2.73Å; D126-N230 CarbonylContact O-C 3.48Å; D126-N230 WeakPolarHBondContact O-CA 3.46Å; D126-N230 WeakPolarHBondContact O-CB 3.46Å; D126-M231 HydrophobicContact CB-CB 4.42Å; D126-M231 HydrophobicContact CB-CE 4.33Å; D126-M231 PolarHBondContact N-O 2.76Å; D126-M231 PolarHBondContact O-N 2.86Å; D126-V257 HydrophobicContact CB-CG1 4.27Å; D126-V257 VanDerWaalsContact OD1-CG1 3.28Å; D126-V257 WeakPolarHBondContact OD1-CG1 3.42Å; D126-R259 HydrophobicContact CB-CG 3.54Å; D126-R259 WeakPolarHBondContact OD2-CD 3.36Å; D126-R259 IonicContact OD2-CZ 3.09Å; D126-R259 IonicContact OD2-NE 2.7Å; D126-R259 IonicContact OD2-NH1 3.7Å; D126-R259 PolarHBondContact OD2-NH1 3.37Å
127G98.5Very high98.2Very high0 Ų013.9 Ų13.90%08%0.081CC..EExtended strand (participates in β ladder)trans-83.8149.9174.700000112.9R229 T255 V257 R259G127-R229 WeakPolarHBondContact CA-O 3.37Å; G127-T255 VanDerWaalsContact CA-CG2 3.46Å; G127-V257 WeakPolarHBondContact CA-O 3.39Å; G127-V257 PolarHBondContact N-O 3.46Å; G127-R259 PolarHBondContact O-N 3.15Å
128L98.2Very high98.2Very high0 Ų013.9 Ų13.90%08%0.081CC..SBendtrans-119.5114.2166.8-83.969.8000109.4V130 L220 V223 Y224 R229 M231 R259L128-V130 PolarHBondContact O-N 3.07Å; L128-L220 HydrophobicContact CD2-CB 4.47Å; L128-L220 HydrophobicContact CD2-CD2 4.26Å; L128-V223 HydrophobicContact CD2-CB 3.95Å; L128-V223 HydrophobicContact CD2-CG1 3.42Å; L128-V223 VanDerWaalsContact CD2-CG1 3.42Å; L128-Y224 HydrophobicContact CB-CD2 4.17Å; L128-Y224 WeakPolarHBondContact O-CD2 3.49Å; L128-R229 PolarHBondContact N-O 2.86Å; L128-M231 HydrophobicContact CD1-CE 3.63Å; L128-M231 HydrophobicContact CD1-CG 3.56Å; L128-M231 HydrophobicContact CD1-SD 3.78Å; L128-R259 HydrophobicContact CD1-CB 4.36Å
129G97.8Very high98.2Very high33 Ų3317 Ų1734%0.3410%0.098SC..SBendtrans6724.1178.800000113.5N258G129-N258 PolarHBondContact N-OD1 2.98Å
130V98Very high98.2Very high16 Ų1620.6 Ų20.610%0.09711%0.112CC..SBendtrans-133.8143.2176.3-63.50000109.7L128 T134 V187 T255 N258L128-V130 PolarHBondContact O-N 3.07Å; V130-T134 HydrophobicContact CB-CG2 4.19Å; V130-T134 HydrophobicContact CG1-CG2 4.48Å; V130-V187 HydrophobicContact CG1-CG2 4.31Å; V130-T255 HydrophobicContact CG2-CG2 3.73Å; V130-N258 WeakPolarHBondContact O-CB 3.32Å
131K96.3Very high98.2Very high125 Ų12520.6 Ų20.654%0.54311%0.112SC..  trans-63.8147.317864177.8-177.41760111.3T134 S185 T255K131-T134 VanDerWaalsContact CG-OG1 3.28Å; K131-T134 WeakPolarHBondContact CG-OG1 3.21Å; K131-T134 VanDerWaalsContact O-CB 3.29Å; K131-T134 WeakPolarHBondContact O-CB 3.35Å; K131-T134 PolarHBondContact O-N 3.32Å; K131-T134 PolarHBondContact O-OG1 2.87Å; K131-S185 VanDerWaalsContact CE-OG 3.28Å; K131-S185 WeakPolarHBondContact CE-OG 3.32Å; K131-T255 PolarHBondContact O-OG1 2.99Å
132P97Very high98.2Very high48 Ų4820.4 Ų20.431%0.31211%0.111SC..THydrogen-bonded Turntrans-50.4144.3165.7-26.135.2000111.8T134 F275P132-T134 VanDerWaalsContact C-N 3.33Å; P132-F275 HydrophobicContact CB-CE2 3.76Å; P132-F275 HydrophobicContact CB-CZ 4.3Å
133G97Very high98.2Very high3 Ų320.5 Ų20.53%0.03111%0.112CC..THydrogen-bonded Turntrans84.1-2.2-173.700000114.6C184 T255 L278G133-C184 WeakPolarHBondContact O-CB 3.33Å; G133-T255 PolarHBondContact N-O 2.96Å; G133-L278 WeakPolarHBondContact O-CD1 3.35Å
134T98.4Very high98.2Very high1 Ų122.5 Ų22.51%0.00612%0.124CC..PPolyproline II helixtrans-73132.7175.5-61.60000110.2V130 K131 P132 S185 V187 V254 T255V130-T134 HydrophobicContact CB-CG2 4.19Å; V130-T134 HydrophobicContact CG1-CG2 4.48Å; K131-T134 VanDerWaalsContact CG-OG1 3.28Å; K131-T134 WeakPolarHBondContact CG-OG1 3.21Å; K131-T134 VanDerWaalsContact O-CB 3.29Å; K131-T134 WeakPolarHBondContact O-CB 3.35Å; K131-T134 PolarHBondContact O-N 3.32Å; K131-T134 PolarHBondContact O-OG1 2.87Å; P132-T134 VanDerWaalsContact C-N 3.33Å; T134-S185 PolarHBondContact OG1-OG 3.47Å; T134-S185 VanDerWaalsContact OG1-OG 3.04Å; T134-V187 HydrophobicContact CG2-CG1 4.07Å; T134-V187 HydrophobicContact CG2-CG2 3.85Å; T134-V254 CarbonylContact O-C 3.55Å; T134-V254 WeakPolarHBondContact O-CA 3.32Å; T134-T255 PolarHBondContact N-OG1 3.12Å; T134-T255 PolarHBondContact O-N 3.17Å; T134-T255 PolarHBondContact O-OG1 2.72Å
135I98.7Very high98.2Very high0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-82.6124.9168.2-60.8175.2000108.5L137 S185 V186 V187 V252 C253 L278 L282I135-L137 HydrophobicContact CG2-CD2 4.08Å; I135-S185 PolarHBondContact N-O 2.73Å; I135-V186 HydrophobicContact CB-CG1 4.34Å; I135-V186 HydrophobicContact CB-CG2 4.16Å; I135-V186 HydrophobicContact CD1-CG2 4.32Å; I135-V186 HydrophobicContact CG2-CG1 4.28Å; I135-V186 CarbonylContact O-C 3.56Å; I135-V186 WeakPolarHBondContact O-CA 3.49Å; I135-V187 PolarHBondContact O-N 2.87Å; I135-V252 HydrophobicContact CG2-CG1 3.63Å; I135-C253 CarbonylContact C-O 3.36Å; I135-C253 WeakPolarHBondContact CA-O 3.43Å; I135-L278 HydrophobicContact CD1-CB 4Å; I135-L278 WeakPolarHBondContact CD1-O 3.37Å; I135-L278 HydrophobicContact CG1-CB 4.15Å; I135-L282 HydrophobicContact CD1-CB 4.26Å; I135-L282 HydrophobicContact CD1-CD2 4.26Å; I135-L282 HydrophobicContact CG2-CD2 4.41Å
136V98.9Very high98.2Very high0 Ų027.5 Ų27.50%014%0.143CC..EExtended strand (participates in β ladder)trans-102.1120.4169-177.20000108.4V187 R229 N230 C253 T255V136-V187 WeakPolarHBondContact CA-O 3.46Å; V136-V187 HydrophobicContact CB-CG2 4.31Å; V136-V187 HydrophobicContact CG1-CG2 4.41Å; V136-V187 HydrophobicContact CG2-CG2 3.72Å; V136-R229 HydrophobicContact CG1-CB 4.08Å; V136-R229 HydrophobicContact CG2-CB 4.31Å; V136-N230 HydrophobicContact CB-CB 4.28Å; V136-N230 HydrophobicContact CG1-CB 4.39Å; V136-N230 HydrophobicContact CG2-CB 4.03Å; V136-C253 PolarHBondContact N-O 2.85Å; V136-C253 PolarHBondContact O-N 2.77Å; V136-T255 HydrophobicContact CG2-CG2 3.77Å
137L98.9Very high98.2Very high1 Ų130.2 Ų30.21%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-90.3111.5167.1-55.3178000107.4I135 D139 V170 L173 K174 V186 V187 V188 G189 V252 L282I135-L137 HydrophobicContact CG2-CD2 4.08Å; L137-D139 PolarHBondContact O-N 3.15Å; L137-V170 HydrophobicContact CB-CG1 4.03Å; L137-L173 HydrophobicContact CD1-CB 3.86Å; L137-L173 HydrophobicContact CD2-CB 4.33Å; L137-L173 HydrophobicContact CD2-CD1 4.47Å; L137-K174 HydrophobicContact CD1-CB 3.96Å; L137-V186 HydrophobicContact CD1-CG1 3.71Å; L137-V186 HydrophobicContact CD2-CG1 4.43Å; L137-V186 HydrophobicContact CG-CG1 3.79Å; L137-V187 PolarHBondContact N-O 2.79Å; L137-V188 HydrophobicContact CB-CG2 4.27Å; L137-V188 HydrophobicContact CD1-CG2 4.4Å; L137-V188 WeakPolarHBondContact O-CA 3.27Å; L137-G189 PolarHBondContact O-N 3.38Å; L137-V252 HydrophobicContact CD2-CB 4.21Å; L137-V252 HydrophobicContact CD2-CG1 3.8Å; L137-V252 HydrophobicContact CD2-CG2 3.8Å; L137-L282 HydrophobicContact CD2-CD2 4.2Å
138S98.9Very high98.2Very high0 Ų032.5 Ų32.50%017%0.17CC..EExtended strand (participates in β ladder)trans-65.9126.9-177.2-52.90000110.2V165 V170 G189 T191 L251S138-V165 VanDerWaalsContact O-CG1 3.28Å; S138-V165 WeakPolarHBondContact O-CG1 3.44Å; S138-V170 WeakPolarHBondContact O-CG2 3.36Å; S138-G189 CarbonylContact C-O 3.5Å; S138-G189 VanDerWaalsContact CA-O 3.24Å; S138-G189 WeakPolarHBondContact CA-O 3.27Å; S138-T191 VanDerWaalsContact CB-OG1 3.28Å; S138-T191 WeakPolarHBondContact CB-OG1 3.2Å; S138-T191 WeakPolarHBondContact OG-CB 3.37Å; S138-T191 PolarHBondContact OG-OG1 3.41Å; S138-L251 PolarHBondContact N-O 3.09Å; S138-L251 WeakPolarHBondContact OG-CB 3.36Å
139D98.7Very high98.3Very high66 Ų6636 Ų3635%0.35318%0.184SC..EExtended strand (participates in β ladder)trans-88.9-23.4169.362.210.7000112.7L137 V188 G189 G190L137-D139 PolarHBondContact O-N 3.15Å; D139-V188 HydrophobicContact CB-CG1 3.77Å; D139-G189 PolarHBondContact N-O 2.87Å; D139-G190 VanDerWaalsContact OD1-CA 3.25Å; D139-G190 WeakPolarHBondContact OD1-CA 3.07Å; D139-G190 PolarHBondContact OD1-N 2.74Å; D139-G190 VanDerWaalsContact OD1-N 3.1Å
140R98.7Very high98.3Very high75 Ų7534.5 Ų34.528%0.28317%0.169SC..EExtended strand (participates in β ladder)trans-153.8149.917471.5-165.2-148.1-95.94110V142 T191 H226R140-V142 HydrophobicContact CG-CG1 4.23Å; R140-T191 PolarHBondContact O-N 3.26Å; R140-H226 VanDerWaalsContact CZ-O 3.28Å; R140-H226 PolarHBondContact NH1-O 3.44Å; R140-H226 PolarHBondContact NH2-O 2.76Å
141C98.8Very high98.3Very high0 Ų038 Ų380%018%0.184CC..EExtended strand (participates in β ladder)trans-106136.1168-64.80000108.4T163 T191 T239C141-T163 HydrophobicContact CB-CG2 4.24Å; C141-T163 PolarHBondContact O-OG1 2.85Å; C141-T191 CarbonylContact C-O 3.56Å; C141-T191 WeakPolarHBondContact CA-O 3.3Å; C141-T239 HydrophobicContact CB-CG2 4.47Å
142V98.8Very high98.4Very high1 Ų133.7 Ų33.71%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-132.2154.6178.9-62.60000110.7R140 L146 E147 P148 T191 I192 T193 I228R140-V142 HydrophobicContact CG-CG1 4.23Å; V142-L146 HydrophobicContact CG2-CD2 4.25Å; V142-E147 CarbonylContact C-O 3.48Å; V142-E147 WeakPolarHBondContact CA-O 3.47Å; V142-E147 WeakPolarHBondContact CB-O 3.48Å; V142-P148 HydrophobicContact CG1-CB 4.32Å; V142-T191 PolarHBondContact N-O 3.05Å; V142-I192 HydrophobicContact CG2-CG1 3.88Å; V142-I192 CarbonylContact O-C 3.51Å; V142-I192 WeakPolarHBondContact O-CA 3.27Å; V142-T193 PolarHBondContact O-N 3.27Å; V142-I228 HydrophobicContact CG2-CD1 3.7Å
143N98.6Very high98.5Very high14 Ų1436.1 Ų36.18%0.07518%0.183CC..  trans-71.3176.516866.214.8000110.8K145 L146 E147 E151N143-K145 PolarHBondContact ND2-NZ 3.06Å; N143-K145 PolarHBondContact O-N 2.81Å; N143-K145 VanDerWaalsContact O-N 3.1Å; N143-K145 WeakPolarHBondContact OD1-CA 3.28Å; N143-K145 WeakPolarHBondContact OD1-CB 3.32Å; N143-K145 PolarHBondContact OD1-N 3.02Å; N143-L146 PolarHBondContact O-N 3.49Å; N143-L146 PolarHBondContact OD1-N 2.6Å; N143-E147 PolarHBondContact N-O 2.87Å; N143-E147 PolarHBondContact ND2-OE2 3.41Å; N143-E147 PolarHBondContact OD1-N 3.1Å; N143-E147 PolarHBondContact OD1-O 2.92Å; N143-E151 PolarHBondContact ND2-OE1 2.84Å; N143-E151 VanDerWaalsContact ND2-OE1 3.09Å
144T98.2Very high98.6Very high42 Ų4239.2 Ų39.226%0.25820%0.199SC..THydrogen-bonded Turntrans-63.4-12.3176.4500000114.1L146 I192 A194 E200T144-L146 VanDerWaalsContact C-N 3.33Å; T144-I192 HydrophobicContact CG2-CG2 4.05Å; T144-A194 HydrophobicContact CG2-CB 3.88Å; T144-E200 HydrophobicContact CG2-CB 4.39Å
145K98.1Very high98.6Very high112 Ų11247.3 Ų47.349%0.48724%0.241SC..THydrogen-bonded Turntrans-90.58.1171.5-55.4-175.2-67.3-75.40113.1N143 E147 E151N143-K145 PolarHBondContact ND2-NZ 3.06Å; N143-K145 PolarHBondContact O-N 2.81Å; N143-K145 VanDerWaalsContact O-N 3.1Å; N143-K145 WeakPolarHBondContact OD1-CA 3.28Å; N143-K145 WeakPolarHBondContact OD1-CB 3.32Å; N143-K145 PolarHBondContact OD1-N 3.02Å; K145-E147 HydrophobicContact CB-CG 4.11Å; K145-E147 WeakPolarHBondContact CE-OE2 3.47Å; K145-E147 PolarHBondContact O-N 2.84Å; K145-E151 VanDerWaalsContact CE-OE1 3.32Å; K145-E151 WeakPolarHBondContact CE-OE1 3.37Å; K145-E151 IonicContact NZ-OE1 3.53Å; K145-E151 PolarHBondContact NZ-OE1 2.59Å; K145-E151 IonicContact NZ-OE2 2.8Å; K145-E151 PolarHBondContact NZ-OE2 3.17Å
146L98.2Very high98.5Very high37 Ų3750.4 Ų50.419%0.19427%0.273CS..SBendtrans65.819.5-177.9-55.5176.3000115V142 N143 T144 I192 V223 H226 I228V142-L146 HydrophobicContact CG2-CD2 4.25Å; N143-L146 PolarHBondContact O-N 3.49Å; N143-L146 PolarHBondContact OD1-N 2.6Å; T144-L146 VanDerWaalsContact C-N 3.33Å; L146-I192 HydrophobicContact CD2-CD1 4.01Å; L146-I192 HydrophobicContact CD2-CG1 4.25Å; L146-V223 HydrophobicContact CD2-CG1 4.39Å; L146-V223 HydrophobicContact CD2-CG2 4.1Å; L146-H226 HydrophobicContact CD1-CB 4.03Å; L146-I228 HydrophobicContact CD2-CG1 4Å
147E98.6Very high98.5Very high61 Ų6157.5 Ų57.529%0.28530%0.304SS..  trans-98.3138.8179.9-49.1174.4112.200111.2V142 N143 K145 Y149 R160V142-E147 CarbonylContact C-O 3.48Å; V142-E147 WeakPolarHBondContact CA-O 3.47Å; V142-E147 WeakPolarHBondContact CB-O 3.48Å; N143-E147 PolarHBondContact N-O 2.87Å; N143-E147 PolarHBondContact ND2-OE2 3.41Å; N143-E147 PolarHBondContact OD1-N 3.1Å; N143-E147 PolarHBondContact OD1-O 2.92Å; K145-E147 HydrophobicContact CB-CG 4.11Å; K145-E147 WeakPolarHBondContact CE-OE2 3.47Å; K145-E147 PolarHBondContact O-N 2.84Å; E147-Y149 HydrophobicContact CB-CD2 4.21Å; E147-Y149 PolarHBondContact O-N 3.41Å; E147-R160 IonicContact OE1-CZ 2.99Å; E147-R160 IonicContact OE1-NH2 2.73Å; E147-R160 PolarHBondContact OE1-NH2 3.5Å; E147-R160 IonicContact OE2-CZ 3.87Å; E147-R160 IonicContact OE2-NH2 3.72Å; E147-R160 PolarHBondContact OE2-NH2 3.45Å
148P98.5Very high98.5Very high47 Ų4763.2 Ų63.231%0.30534%0.341SS..SBendtrans-79.455.9-178.434.3-37.2000112.5V142 Q162 T163V142-P148 HydrophobicContact CG1-CB 4.32Å; P148-Q162 WeakPolarHBondContact O-CA 3.37Å; P148-T163 VanDerWaalsContact C-OG1 3.24Å; P148-T163 WeakPolarHBondContact CA-OG1 3.39Å; P148-T163 WeakPolarHBondContact CB-OG1 3.49Å; P148-T163 PolarHBondContact O-N 2.91Å; P148-T163 PolarHBondContact O-OG1 2.96Å; P148-T163 VanDerWaalsContact O-OG1 3.07Å
149Y98.7Very high98.4Very high73 Ų7365.5 Ų65.529%0.28636%0.355SS..EExtended strand (participates in β ladder)trans-137.8140.1-178-70.6-87.5000111.9E147 R160 R161 Q162E147-Y149 HydrophobicContact CB-CD2 4.21Å; E147-Y149 PolarHBondContact O-N 3.41Å; Y149-R160 HydrophobicContact CD1-CB 3.81Å; Y149-R160 HydrophobicContact CE1-CB 4.49Å; Y149-R160 HydrophobicContact CG-CB 4.35Å; Y149-R161 WeakPolarHBondContact CA-O 3.5Å; Y149-Q162 HydrophobicContact CD1-CB 4.19Å; Y149-Q162 HydrophobicContact CE1-CB 3.83Å; Y149-Q162 HydrophobicContact CE1-CG 4.35Å
150N98.7Very high98.4Very high3 Ų367.9 Ų67.92%0.01636%0.359CS..EExtended strand (participates in β ladder)trans-88.7132.3160.1-172.924.3000109.3R160 R161 A236 S240N150-R160 WeakPolarHBondContact O-CA 3.33Å; N150-R161 PolarHBondContact N-O 2.92Å; N150-R161 PolarHBondContact O-N 2.94Å; N150-A236 HydrophobicContact CB-CB 4.12Å; N150-S240 WeakPolarHBondContact CB-OG 3.31Å; N150-S240 PolarHBondContact ND2-OG 2.96Å
151E98.5Very high98.4Very high89 Ų8967 Ų6742%0.41636%0.355SS..EExtended strand (participates in β ladder)trans-104.5131.4-178.8-74.3174.2-164.600110.2N143 K145 R160N143-E151 PolarHBondContact ND2-OE1 2.84Å; N143-E151 VanDerWaalsContact ND2-OE1 3.09Å; K145-E151 VanDerWaalsContact CE-OE1 3.32Å; K145-E151 WeakPolarHBondContact CE-OE1 3.37Å; K145-E151 IonicContact NZ-OE1 3.53Å; K145-E151 PolarHBondContact NZ-OE1 2.59Å; K145-E151 IonicContact NZ-OE2 2.8Å; K145-E151 PolarHBondContact NZ-OE2 3.17Å; E151-R160 HydrophobicContact CG-CG 4.19Å; E151-R160 IonicContact OE1-NE 3.65Å
152L98.5Very high98.4Very high35 Ų3572.2 Ų72.218%0.18338%0.38CS..EExtended strand (participates in β ladder)trans-132.2157.9-179.2-5295.3000109.8L99 I154 V159 R161L99-L152 HydrophobicContact CD1-CD2 4.06Å; L152-I154 HydrophobicContact CB-CD1 4.41Å; L152-I154 HydrophobicContact CB-CG1 4.19Å; L152-V159 HydrophobicContact CB-CB 4.47Å; L152-V159 PolarHBondContact N-O 2.84Å; L152-V159 PolarHBondContact O-N 2.83Å; L152-R161 HydrophobicContact CD1-CB 4.36Å; L152-R161 HydrophobicContact CD1-CG 3.85Å
153C98.4Very high98.4Very high98 Ų9872.8 Ų72.866%0.66238%0.383SS*.EExtended strand (participates in β ladder)trans-115.3109.2166.7-174.40000108.6G156 K157C153-G156 VanDerWaalsContact SG-CA 3.58Å; C153-K157 WeakPolarHBondContact CA-O 3.33Å
154I98.3Very high98.3Very high69 Ų6976.2 Ų76.235%0.35440%0.398SS..EExtended strand (participates in β ladder)trans-116.7118.7-177-59.5178.6000107.9L152 G156 K157 V159L152-I154 HydrophobicContact CB-CD1 4.41Å; L152-I154 HydrophobicContact CB-CG1 4.19Å; I154-G156 PolarHBondContact O-N 2.97Å; I154-K157 PolarHBondContact N-O 3.34Å; I154-K157 WeakPolarHBondContact O-CB 3.27Å; I154-K157 PolarHBondContact O-N 3.21Å; I154-V159 HydrophobicContact CB-CG2 4.04Å; I154-V159 HydrophobicContact CD1-CB 4.24Å; I154-V159 HydrophobicContact CD1-CG1 4.27Å; I154-V159 HydrophobicContact CD1-CG2 4.12Å; I154-V159 HydrophobicContact CG1-CB 4.48Å; I154-V159 HydrophobicContact CG1-CG2 4.2Å
155L97.9Very high98.4Very high170 Ų17074.8 Ų74.889%0.8939%0.389SS*.THydrogen-bonded Turntrans53.240.4-175.2-53.7177.2000112.6K157L155-K157 PolarHBondContact O-N 3.14Å
156G97.8Very high98.4Very high66 Ų6670.5 Ų70.568%0.6837%0.372SS*.THydrogen-bonded Turntrans73.74.5-178.300000114.9C153 I154C153-G156 VanDerWaalsContact SG-CA 3.58Å; I154-G156 PolarHBondContact O-N 2.97Å
157K98.4Very high98.4Very high149 Ų14971.9 Ų71.965%0.64838%0.384SS*.EExtended strand (participates in β ladder)trans-106.8135.6-179.7-62.2-177.5-178.1179.30111C153 I154 L155 V159C153-K157 WeakPolarHBondContact CA-O 3.33Å; I154-K157 PolarHBondContact N-O 3.34Å; I154-K157 WeakPolarHBondContact O-CB 3.27Å; I154-K157 PolarHBondContact O-N 3.21Å; L155-K157 PolarHBondContact O-N 3.14Å; K157-V159 PolarHBondContact O-N 3.13Å
158P98.3Very high98.4Very high121 Ų12174.5 Ų74.579%0.78640%0.4SS*.EExtended strand (participates in β ladder)trans-66.4132.1174.328.5-33.9000110.1
159V98.6Very high98.4Very high47 Ų4772.3 Ų72.329%0.28539%0.386SS..EExtended strand (participates in β ladder)trans-129.6135.6177.3176.90000108.5L152 I154 K157 R161L152-V159 HydrophobicContact CB-CB 4.47Å; L152-V159 PolarHBondContact N-O 2.84Å; L152-V159 PolarHBondContact O-N 2.83Å; I154-V159 HydrophobicContact CB-CG2 4.04Å; I154-V159 HydrophobicContact CD1-CB 4.24Å; I154-V159 HydrophobicContact CD1-CG1 4.27Å; I154-V159 HydrophobicContact CD1-CG2 4.12Å; I154-V159 HydrophobicContact CG1-CB 4.48Å; I154-V159 HydrophobicContact CG1-CG2 4.2Å; K157-V159 PolarHBondContact O-N 3.13Å; V159-R161 HydrophobicContact CG1-CG 4.44Å
160R98.2Very high98.4Very high116 Ų11669 Ų6944%0.43837%0.374SS..EExtended strand (participates in β ladder)trans-116.5134.6175.5-59.1-179.574-160.410.8109.6E147 Y149 N150 E151E147-R160 IonicContact OE1-CZ 2.99Å; E147-R160 IonicContact OE1-NH2 2.73Å; E147-R160 PolarHBondContact OE1-NH2 3.5Å; E147-R160 IonicContact OE2-CZ 3.87Å; E147-R160 IonicContact OE2-NH2 3.72Å; E147-R160 PolarHBondContact OE2-NH2 3.45Å; Y149-R160 HydrophobicContact CD1-CB 3.81Å; Y149-R160 HydrophobicContact CE1-CB 4.49Å; Y149-R160 HydrophobicContact CG-CB 4.35Å; N150-R160 WeakPolarHBondContact O-CA 3.33Å; E151-R160 HydrophobicContact CG-CG 4.19Å; E151-R160 IonicContact OE1-NE 3.65Å
161R97.9Very high98.4Very high56 Ų5672.9 Ų72.921%0.21139%0.394CS..EExtended strand (participates in β ladder)trans-122.4121.1176.9-65.3178.1168171.2-1.1109.7Y149 N150 L152 V159 T163 L244Y149-R161 WeakPolarHBondContact CA-O 3.5Å; N150-R161 PolarHBondContact N-O 2.92Å; N150-R161 PolarHBondContact O-N 2.94Å; L152-R161 HydrophobicContact CD1-CB 4.36Å; L152-R161 HydrophobicContact CD1-CG 3.85Å; V159-R161 HydrophobicContact CG1-CG 4.44Å; R161-T163 PolarHBondContact O-N 3.37Å; R161-L244 HydrophobicContact CB-CD1 4.31Å; R161-L244 HydrophobicContact CG-CD1 3.78Å
162Q98.3Very high98.4Very high111 Ų11172.9 Ų72.952%0.51939%0.394SS..EExtended strand (participates in β ladder)trans-64.6130.3-178.4-170.8178.511.700110.8P148 Y149 N243P148-Q162 WeakPolarHBondContact O-CA 3.37Å; Y149-Q162 HydrophobicContact CD1-CB 4.19Å; Y149-Q162 HydrophobicContact CE1-CB 3.83Å; Y149-Q162 HydrophobicContact CE1-CG 4.35Å; Q162-N243 PolarHBondContact O-ND2 2.73Å
163T98.6Very high98.4Very high12 Ų1271.2 Ų71.27%0.07439%0.385CS..  trans-75.5137.9174.456.90000110.4C141 P148 R161 A236 T239C141-T163 HydrophobicContact CB-CG2 4.24Å; C141-T163 PolarHBondContact O-OG1 2.85Å; P148-T163 VanDerWaalsContact C-OG1 3.24Å; P148-T163 WeakPolarHBondContact CA-OG1 3.39Å; P148-T163 WeakPolarHBondContact CB-OG1 3.49Å; P148-T163 PolarHBondContact O-N 2.91Å; P148-T163 PolarHBondContact O-OG1 2.96Å; P148-T163 VanDerWaalsContact O-OG1 3.07Å; R161-T163 PolarHBondContact O-N 3.37Å; T163-A236 HydrophobicContact CG2-CB 4.04Å; T163-T239 VanDerWaalsContact CB-OG1 3.31Å; T163-T239 WeakPolarHBondContact CB-OG1 3.4Å; T163-T239 WeakPolarHBondContact CG2-OG1 3.37Å
164K98.4Very high98.4Very high86 Ų8669.1 Ų69.137%0.37437%0.365SS..  trans-135.4118.8174.3-168.7178.7-179.7-177.60111.1T239 N243K164-T239 PolarHBondContact N-O 2.91Å; K164-T239 VanDerWaalsContact N-O 3.1Å; K164-T239 WeakPolarHBondContact O-CB 3.38Å; K164-N243 HydrophobicContact CB-CB 3.85Å; K164-N243 WeakPolarHBondContact CD-OD1 3.43Å
165V98.8Very high98.4Very high13 Ų1372.3 Ų72.38%0.07938%0.376CS..  trans-93143.4171.3174.20000109S138 S167 V170 T239 A249 I250S138-V165 VanDerWaalsContact O-CG1 3.28Å; S138-V165 WeakPolarHBondContact O-CG1 3.44Å; V165-S167 PolarHBondContact O-N 2.95Å; V165-V170 HydrophobicContact CG1-CG2 3.68Å; V165-T239 HydrophobicContact CG2-CG2 3.85Å; V165-A249 WeakPolarHBondContact CA-O 3.43Å; V165-I250 HydrophobicContact CG1-CG2 4.3Å
166D98.7Very high98.4Very high22 Ų2264.9 Ų64.912%0.11834%0.338CS..  trans-77.594.4168.9-178.4-1.7000111.5L118 N168 A169 V170 R248 A249 I250L118-D166 HydrophobicContact CD1-CB 4.42Å; D166-N168 PolarHBondContact O-N 3.39Å; D166-N168 WeakPolarHBondContact OD1-CB 3.39Å; D166-N168 PolarHBondContact OD1-N 3.16Å; D166-A169 HydrophobicContact CB-CB 4.19Å; D166-A169 PolarHBondContact O-N 2.79Å; D166-A169 PolarHBondContact OD1-N 3.39Å; D166-V170 WeakPolarHBondContact O-CG2 3.32Å; D166-V170 PolarHBondContact O-N 3.4Å; D166-V170 VanDerWaalsContact O-N 3.09Å; D166-R248 HydrophobicContact CB-CB 4.09Å; D166-R248 HydrophobicContact CB-CG 4.46Å; D166-R248 VanDerWaalsContact OD2-CD 3.29Å; D166-R248 WeakPolarHBondContact OD2-CD 3.25Å; D166-R248 IonicContact OD2-CZ 2.96Å; D166-R248 IonicContact OD2-NE 2.76Å; D166-R248 IonicContact OD2-NH1 3.08Å; D166-R248 PolarHBondContact OD2-NH1 2.84Å; D166-A249 PolarHBondContact N-O 3.29Å; D166-I250 HydrophobicContact CB-CG2 3.94Å
167S98.2Very high98.4Very high65 Ų6562.3 Ų62.346%0.45531%0.309SS..Hα-helixtrans-61.9-26.2179.3-49.50000113.7V165 N171V165-S167 PolarHBondContact O-N 2.95Å; S167-N171 WeakPolarHBondContact O-CB 3.28Å; S167-N171 PolarHBondContact O-N 2.85Å; S167-N171 PolarHBondContact O-ND2 2.86Å
168N98.3Very high98.3Very high117 Ų11761.1 Ų61.163%0.62631%0.306SS*.Hα-helixtrans-70.3-48.8178.2-70.3-20.1000110.2D166 V170 N171 E172D166-N168 PolarHBondContact O-N 3.39Å; D166-N168 WeakPolarHBondContact OD1-CB 3.39Å; D166-N168 PolarHBondContact OD1-N 3.16Å; N168-V170 VanDerWaalsContact C-N 3.31Å; N168-V170 PolarHBondContact O-N 3.24Å; N168-N171 PolarHBondContact O-N 3.37Å; N168-N171 VanDerWaalsContact O-N 3.16Å; N168-E172 WeakPolarHBondContact O-CG 3.33Å; N168-E172 PolarHBondContact O-N 3.02Å
169A98.5Very high98.1Very high1 Ų161.2 Ų61.21%0.00830%0.299CS..Hα-helixtrans-61.6-38.1175.900000112.2L118 D166 E172 L173 I250L118-A169 HydrophobicContact CD1-CB 4.46Å; L118-A169 HydrophobicContact CD2-CB 4.09Å; D166-A169 HydrophobicContact CB-CB 4.19Å; D166-A169 PolarHBondContact O-N 2.79Å; D166-A169 PolarHBondContact OD1-N 3.39Å; A169-E172 PolarHBondContact O-N 3.32Å; A169-L173 WeakPolarHBondContact O-CB 3.29Å; A169-L173 WeakPolarHBondContact O-CG 3.38Å; A169-L173 PolarHBondContact O-N 3.01Å; A169-I250 HydrophobicContact CB-CD1 4.38Å; A169-I250 HydrophobicContact CB-CG2 3.88Å
170V98.8Very high98Very high4 Ų461 Ų612%0.02430%0.296CS..Hα-helixtrans-60.2-46.9172.8170.20000111.5L137 S138 V165 D166 N168 L173 K174 V188 I250L137-V170 HydrophobicContact CB-CG1 4.03Å; S138-V170 WeakPolarHBondContact O-CG2 3.36Å; V165-V170 HydrophobicContact CG1-CG2 3.68Å; D166-V170 WeakPolarHBondContact O-CG2 3.32Å; D166-V170 PolarHBondContact O-N 3.4Å; D166-V170 VanDerWaalsContact O-N 3.09Å; N168-V170 VanDerWaalsContact C-N 3.31Å; N168-V170 PolarHBondContact O-N 3.24Å; V170-L173 PolarHBondContact O-N 3.49Å; V170-K174 PolarHBondContact O-N 2.85Å; V170-V188 HydrophobicContact CG1-CG1 3.99Å; V170-V188 HydrophobicContact CG1-CG2 4.2Å; V170-I250 HydrophobicContact CG2-CB 4.46Å; V170-I250 HydrophobicContact CG2-CG2 3.86Å
171N98.5Very high97.8Very high84 Ų8461.6 Ų61.645%0.44932%0.318SS..Hα-helixtrans-65.1-39.1179-74.5-32000112.3S167 N168 K174 K175S167-N171 WeakPolarHBondContact O-CB 3.28Å; S167-N171 PolarHBondContact O-N 2.85Å; S167-N171 PolarHBondContact O-ND2 2.86Å; N168-N171 PolarHBondContact O-N 3.37Å; N168-N171 VanDerWaalsContact O-N 3.16Å; N171-K174 PolarHBondContact O-N 3.39Å; N171-K175 WeakPolarHBondContact O-CG 3.39Å; N171-K175 PolarHBondContact O-N 2.63Å
172E98.4Very high97.5Very high89 Ų8960.6 Ų60.642%0.41632%0.317SS..Hα-helixtrans-63.8-45.1174.5-71.6172.1177.600111.8N168 A169 K174 K175 L176 Y286N168-E172 WeakPolarHBondContact O-CG 3.33Å; N168-E172 PolarHBondContact O-N 3.02Å; A169-E172 PolarHBondContact O-N 3.32Å; E172-K174 PolarHBondContact O-N 3.33Å; E172-K175 PolarHBondContact O-N 2.74Å; E172-L176 WeakPolarHBondContact O-CB 3.26Å; E172-L176 PolarHBondContact O-N 3.47Å; E172-Y286 HydrophobicContact CB-CE2 3.79Å; E172-Y286 WeakPolarHBondContact OE2-CE2 3.35Å; E172-Y286 PolarHBondContact OE2-OH 2.99Å
173L98.4Very high97.1Very high0 Ų065.1 Ų65.10%034%0.335CS..Hα-helixtrans-62.6-40.7175.4-82.7164.2000112.1L137 A169 V170 L176 S177 I250 V252 L282 V283 Y286L137-L173 HydrophobicContact CD1-CB 3.86Å; L137-L173 HydrophobicContact CD2-CB 4.33Å; L137-L173 HydrophobicContact CD2-CD1 4.47Å; A169-L173 WeakPolarHBondContact O-CB 3.29Å; A169-L173 WeakPolarHBondContact O-CG 3.38Å; A169-L173 PolarHBondContact O-N 3.01Å; V170-L173 PolarHBondContact O-N 3.49Å; L173-L176 PolarHBondContact O-N 3.49Å; L173-S177 PolarHBondContact O-N 3.18Å; L173-I250 HydrophobicContact CD1-CD1 3.28Å; L173-V252 HydrophobicContact CD1-CG2 3.98Å; L173-L282 HydrophobicContact CD2-CD1 4.25Å; L173-L282 HydrophobicContact CD2-CD2 4.27Å; L173-L282 HydrophobicContact CD2-CG 3.85Å; L173-V283 HydrophobicContact CD2-CG2 4.31Å; L173-Y286 HydrophobicContact CD2-CD1 4.44Å; L173-Y286 HydrophobicContact CD2-CD2 3.89Å; L173-Y286 HydrophobicContact CD2-CG 3.71Å; L173-Y286 HydrophobicContact CG-CD2 3.91Å; L173-Y286 HydrophobicContact CG-CE2 4.32Å; L173-Y286 HydrophobicContact CG-CG 4.09Å
174K98.5Very high96.9Very high53 Ų5365.4 Ų65.423%0.2334%0.338CS..Hα-helixtrans-62.4-47.6176.1-178.460.4-179.176.80111.2L137 V170 N171 E172 L176 S177 E178 V186 V188L137-K174 HydrophobicContact CD1-CB 3.96Å; V170-K174 PolarHBondContact O-N 2.85Å; N171-K174 PolarHBondContact O-N 3.39Å; E172-K174 PolarHBondContact O-N 3.33Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 2.89Å; K174-S177 PolarHBondContact O-N 3.11Å; K174-S177 PolarHBondContact O-OG 3.29Å; K174-E178 IonicContact NZ-OE1 3.19Å; K174-E178 PolarHBondContact NZ-OE1 3.09Å; K174-E178 PolarHBondContact O-N 2.81Å; K174-V186 HydrophobicContact CD-CG1 4.3Å; K174-V186 WeakPolarHBondContact CE-O 3.49Å; K174-V188 HydrophobicContact CB-CG2 4.12Å; K174-V188 HydrophobicContact CD-CG2 4.07Å; K174-V188 HydrophobicContact CG-CG2 4.05Å
175K98.1Very high96.8Very high137 Ų13763.3 Ų63.360%0.59633%0.334SS*.Hα-helixtrans-62-39.7175-72.2173.7-177.8177.90112.1N171 E172 S177 E178 N179N171-K175 WeakPolarHBondContact O-CG 3.39Å; N171-K175 PolarHBondContact O-N 2.63Å; E172-K175 PolarHBondContact O-N 2.74Å; K175-S177 VanDerWaalsContact C-N 3.34Å; K175-E178 PolarHBondContact O-N 3.35Å; K175-N179 PolarHBondContact O-ND2 3.38Å
176L98.2Very high96.8Very high14 Ų1463.6 Ų63.67%0.07334%0.335CS..Hα-helixtrans-61.5-45.1175.9176.960.4000110.6E172 L173 K174 E178 N179 L180 L282 E285 Y286 R289E172-L176 WeakPolarHBondContact O-CB 3.26Å; E172-L176 PolarHBondContact O-N 3.47Å; L173-L176 PolarHBondContact O-N 3.49Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 2.89Å; L176-E178 PolarHBondContact O-N 3.11Å; L176-N179 PolarHBondContact O-N 3.23Å; L176-L180 HydrophobicContact CD1-CD1 4.15Å; L176-L180 HydrophobicContact CD1-CD2 4.41Å; L176-L180 HydrophobicContact CD1-CG 4.17Å; L176-L180 HydrophobicContact CD2-CD1 4.42Å; L176-L180 HydrophobicContact CG-CD1 3.88Å; L176-L180 HydrophobicContact CG-CG 4.32Å; L176-L180 WeakPolarHBondContact O-CG 3.18Å; L176-L180 PolarHBondContact O-N 3.34Å; L176-L282 HydrophobicContact CB-CD1 4.47Å; L176-L282 HydrophobicContact CD2-CD1 4.17Å; L176-L282 HydrophobicContact CG-CD1 4.14Å; L176-E285 HydrophobicContact CD1-CG 4.1Å; L176-E285 HydrophobicContact CD2-CB 4.29Å; L176-E285 HydrophobicContact CD2-CG 4.24Å; L176-Y286 HydrophobicContact CD2-CD2 4.38Å; L176-R289 VanDerWaalsContact CD1-NH1 3.29Å
177S97.7Very high96.8Very high11 Ų1164.5 Ų64.58%0.07734%0.342CS..Hα-helixtrans-59.3-31.8-179.174.70000113.8L173 K174 K175 N179 L180L173-S177 PolarHBondContact O-N 3.18Å; K174-S177 PolarHBondContact O-N 3.11Å; K174-S177 PolarHBondContact O-OG 3.29Å; K175-S177 VanDerWaalsContact C-N 3.34Å; S177-N179 PolarHBondContact O-N 3.1Å; S177-L180 PolarHBondContact O-N 3.02Å
178E96.7Very high96.8Very high125 Ų12564 Ų6458%0.58434%0.335SS*.Hα-helixtrans-69.2-23.1176.7-67.5163.9-179.700112.6K174 K175 L176K174-E178 IonicContact NZ-OE1 3.19Å; K174-E178 PolarHBondContact NZ-OE1 3.09Å; K174-E178 PolarHBondContact O-N 2.81Å; K175-E178 PolarHBondContact O-N 3.35Å; L176-E178 PolarHBondContact O-N 3.11Å
179N95.4Very high96.9Very high122 Ų12258.6 Ų58.665%0.65231%0.308SS*.THydrogen-bonded Turntrans-96.61.2178.5-64.7-60.4000113.1K175 L176 S177K175-N179 PolarHBondContact O-ND2 3.38Å; L176-N179 PolarHBondContact O-N 3.23Å; S177-N179 PolarHBondContact O-N 3.1Å
180L95.2Very high96.9Very high42 Ų4258.5 Ų58.522%0.2231%0.307CS..SBendtrans-111.1141.6179.7-64.2179000110.8L176 S177 L182 L282 E285L176-L180 HydrophobicContact CD1-CD1 4.15Å; L176-L180 HydrophobicContact CD1-CD2 4.41Å; L176-L180 HydrophobicContact CD1-CG 4.17Å; L176-L180 HydrophobicContact CD2-CD1 4.42Å; L176-L180 HydrophobicContact CG-CD1 3.88Å; L176-L180 HydrophobicContact CG-CG 4.32Å; L176-L180 WeakPolarHBondContact O-CG 3.18Å; L176-L180 PolarHBondContact O-N 3.34Å; S177-L180 PolarHBondContact O-N 3.02Å; L180-L182 HydrophobicContact CB-CD1 4.49Å; L180-L182 HydrophobicContact CB-CD2 4.25Å; L180-L182 HydrophobicContact CB-CG 3.89Å; L180-L182 HydrophobicContact CD1-CD2 4.48Å; L180-L182 PolarHBondContact O-N 2.8Å; L180-L282 HydrophobicContact CD1-CD1 3.92Å; L180-E285 HydrophobicContact CD1-CB 4.11Å; L180-E285 HydrophobicContact CD1-CG 4.08Å; L180-E285 HydrophobicContact CD2-CG 3.95Å
181S93.8Very high96.9Very high129 Ų12958.3 Ų58.390%0.90231%0.306SS*.  trans-80.659173.8-52.70000111.3
182L91.7Very high96.9Very high36 Ų3654.3 Ų54.319%0.18829%0.285CS..  trans-71.6140.6176.7-60.8177.8000110.2L180 C184 V186 L282L180-L182 HydrophobicContact CB-CD1 4.49Å; L180-L182 HydrophobicContact CB-CD2 4.25Å; L180-L182 HydrophobicContact CB-CG 3.89Å; L180-L182 HydrophobicContact CD1-CD2 4.48Å; L180-L182 PolarHBondContact O-N 2.8Å; L182-C184 PolarHBondContact O-N 3.26Å; L182-C184 VanDerWaalsContact O-N 3.12Å; L182-V186 HydrophobicContact CD1-CG2 3.83Å; L182-L282 HydrophobicContact CD1-CB 4.39Å; L182-L282 HydrophobicContact CD1-CD1 4.32Å
183K89.9Confident96.9Very high205 Ų20550.3 Ų50.389%0.89127%0.266SS*.SBendtrans-77.815.4174.8-64.5-174.5179.1-179.10113.1
184C94.5Very high96.9Very high19 Ų1950.3 Ų50.313%0.12827%0.266CS..SBendtrans-142158.8-175.760.90000111.8G133 L182 L278G133-C184 WeakPolarHBondContact O-CB 3.33Å; L182-C184 PolarHBondContact O-N 3.26Å; L182-C184 VanDerWaalsContact O-N 3.12Å; C184-L278 HydrophobicContact CB-CD1 3.89Å
185S97.2Very high96.9Very high42 Ų4252.3 Ų52.329%0.29428%0.28SS..  trans-76.9148.8167.334.80000110.9K131 T134 I135K131-S185 VanDerWaalsContact CE-OG 3.28Å; K131-S185 WeakPolarHBondContact CE-OG 3.32Å; T134-S185 PolarHBondContact OG1-OG 3.47Å; T134-S185 VanDerWaalsContact OG1-OG 3.04Å; I135-S185 PolarHBondContact N-O 2.73Å
186V98.6Very high97Very high18 Ų1848.3 Ų48.311%0.10926%0.264CS..EExtended strand (participates in β ladder)trans-120.7121171.3-174.30000108.7I135 L137 K174 L182 L282I135-V186 HydrophobicContact CB-CG1 4.34Å; I135-V186 HydrophobicContact CB-CG2 4.16Å; I135-V186 HydrophobicContact CD1-CG2 4.32Å; I135-V186 HydrophobicContact CG2-CG1 4.28Å; I135-V186 CarbonylContact O-C 3.56Å; I135-V186 WeakPolarHBondContact O-CA 3.49Å; L137-V186 HydrophobicContact CD1-CG1 3.71Å; L137-V186 HydrophobicContact CD2-CG1 4.43Å; L137-V186 HydrophobicContact CG-CG1 3.79Å; K174-V186 HydrophobicContact CD-CG1 4.3Å; K174-V186 WeakPolarHBondContact CE-O 3.49Å; L182-V186 HydrophobicContact CD1-CG2 3.83Å; V186-L282 HydrophobicContact CG1-CD2 4.28Å; V186-L282 HydrophobicContact CG2-CD2 4.43Å
187V98.6Very high97Very high42 Ų4251.3 Ų51.326%0.25528%0.277SS..EExtended strand (participates in β ladder)trans-119.9154.6179.5-56.90000110.4V130 T134 I135 V136 L137V130-V187 HydrophobicContact CG1-CG2 4.31Å; T134-V187 HydrophobicContact CG2-CG1 4.07Å; T134-V187 HydrophobicContact CG2-CG2 3.85Å; I135-V187 PolarHBondContact O-N 2.87Å; V136-V187 WeakPolarHBondContact CA-O 3.46Å; V136-V187 HydrophobicContact CB-CG2 4.31Å; V136-V187 HydrophobicContact CG1-CG2 4.41Å; V136-V187 HydrophobicContact CG2-CG2 3.72Å; L137-V187 PolarHBondContact N-O 2.79Å
188V98.8Very high97Very high53 Ų5355.6 Ų55.632%0.32129%0.292SS..EExtended strand (participates in β ladder)trans-107.6135.9171.1-179.20000107.7L137 D139 V170 K174L137-V188 HydrophobicContact CB-CG2 4.27Å; L137-V188 HydrophobicContact CD1-CG2 4.4Å; L137-V188 WeakPolarHBondContact O-CA 3.27Å; D139-V188 HydrophobicContact CB-CG1 3.77Å; V170-V188 HydrophobicContact CG1-CG1 3.99Å; V170-V188 HydrophobicContact CG1-CG2 4.2Å; K174-V188 HydrophobicContact CB-CG2 4.12Å; K174-V188 HydrophobicContact CD-CG2 4.07Å; K174-V188 HydrophobicContact CG-CG2 4.05Å
189G98.8Very high97.1Very high4 Ų453 Ų534%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-177.8175.7175.800000112.2L137 S138 D139L137-G189 PolarHBondContact O-N 3.38Å; S138-G189 CarbonylContact C-O 3.5Å; S138-G189 VanDerWaalsContact CA-O 3.24Å; S138-G189 WeakPolarHBondContact CA-O 3.27Å; D139-G189 PolarHBondContact N-O 2.87Å
190G98.8Very high97.2Very high0 Ų050.5 Ų50.50%026%0.264CS..EExtended strand (participates in β ladder)trans-75.8159.8-179.300000112.6D139 G227 I228 R229 N230D139-G190 VanDerWaalsContact OD1-CA 3.25Å; D139-G190 WeakPolarHBondContact OD1-CA 3.07Å; D139-G190 PolarHBondContact OD1-N 2.74Å; D139-G190 VanDerWaalsContact OD1-N 3.1Å; G190-G227 PolarHBondContact N-O 3.01Å; G190-I228 CarbonylContact O-C 3.6Å; G190-I228 VanDerWaalsContact O-CA 3.32Å; G190-I228 WeakPolarHBondContact O-CA 3.48Å; G190-I228 WeakPolarHBondContact O-CG2 3.49Å; G190-R229 PolarHBondContact O-N 2.92Å; G190-N230 PolarHBondContact O-OD1 3.32Å
191T98.9Very high97.4Very high0 Ų048.6 Ų48.60%026%0.255CS..EExtended strand (participates in β ladder)trans-129.5125.7-177.9-58.50000110.7S138 R140 C141 V142 N230 E232 L251S138-T191 VanDerWaalsContact CB-OG1 3.28Å; S138-T191 WeakPolarHBondContact CB-OG1 3.2Å; S138-T191 WeakPolarHBondContact OG-CB 3.37Å; S138-T191 PolarHBondContact OG-OG1 3.41Å; R140-T191 PolarHBondContact O-N 3.26Å; C141-T191 CarbonylContact C-O 3.56Å; C141-T191 WeakPolarHBondContact CA-O 3.3Å; V142-T191 PolarHBondContact N-O 3.05Å; T191-N230 WeakPolarHBondContact CA-O 3.38Å; T191-N230 WeakPolarHBondContact CA-OD1 3.4Å; T191-N230 VanDerWaalsContact CB-OD1 3.27Å; T191-N230 WeakPolarHBondContact CB-OD1 3.33Å; T191-N230 VanDerWaalsContact CG2-OD1 3.31Å; T191-N230 WeakPolarHBondContact CG2-OD1 3.39Å; T191-N230 PolarHBondContact OG1-OD1 2.95Å; T191-E232 HydrophobicContact CG2-CG 3.42Å; T191-E232 VanDerWaalsContact CG2-CG 3.42Å; T191-L251 HydrophobicContact CG2-CD2 4.24Å
192I98.8Very high97.6Very high0 Ų042.8 Ų42.80%022%0.215CC..EExtended strand (participates in β ladder)trans-77.7139.4167.7-77.4177000109.7V142 T144 L146 L201 F219 V223 I228 N230 M231 E232V142-I192 HydrophobicContact CG2-CG1 3.88Å; V142-I192 CarbonylContact O-C 3.51Å; V142-I192 WeakPolarHBondContact O-CA 3.27Å; T144-I192 HydrophobicContact CG2-CG2 4.05Å; L146-I192 HydrophobicContact CD2-CD1 4.01Å; L146-I192 HydrophobicContact CD2-CG1 4.25Å; I192-L201 HydrophobicContact CG2-CD2 4.38Å; I192-F219 HydrophobicContact CD1-CZ 4.24Å; I192-V223 HydrophobicContact CD1-CB 4.24Å; I192-V223 HydrophobicContact CD1-CG1 3.38Å; I192-V223 HydrophobicContact CD1-CG2 3.72Å; I192-V223 HydrophobicContact CG1-CG1 4.27Å; I192-I228 HydrophobicContact CD1-CG2 4.49Å; I192-I228 HydrophobicContact CG1-CG1 4.41Å; I192-I228 HydrophobicContact CG1-CG2 4.11Å; I192-N230 PolarHBondContact N-O 3.32Å; I192-M231 HydrophobicContact CB-CB 4.02Å; I192-M231 HydrophobicContact CB-CG 3.9Å; I192-M231 HydrophobicContact CD1-CG 4.35Å; I192-M231 HydrophobicContact CD1-SD 4.07Å; I192-M231 HydrophobicContact CG2-CB 4.28Å; I192-M231 HydrophobicContact CG2-CG 4.43Å; I192-M231 WeakPolarHBondContact O-CA 3.29Å; I192-E232 PolarHBondContact O-N 2.84Å
193T98.9Very high97.9Very high4 Ų441.1 Ų41.13%0.02521%0.206CC..EExtended strand (participates in β ladder)trans-111.5115.5165.5-57.90000109.5I95 V142 E232 M233 G235 A236I95-T193 HydrophobicContact CD1-CG2 3.8Å; I95-T193 HydrophobicContact CG1-CG2 3.89Å; V142-T193 PolarHBondContact O-N 3.27Å; T193-E232 CarbonylContact C-O 3.58Å; T193-E232 VanDerWaalsContact CA-O 3.28Å; T193-E232 WeakPolarHBondContact CA-O 3.47Å; T193-E232 PolarHBondContact OG1-OE1 3.19Å; T193-M233 VanDerWaalsContact CG2-C 3.48Å; T193-G235 WeakPolarHBondContact OG1-CA 3.16Å; T193-G235 PolarHBondContact OG1-N 2.74Å; T193-A236 HydrophobicContact CG2-CB 3.86Å; T193-A236 PolarHBondContact OG1-N 2.98Å
194A98.7Very high98.3Very high0 Ų034.3 Ų34.30%018%0.179CC..  trans-106.8158.9176.800000112.2T144 E200 L201 E232 M233T144-A194 HydrophobicContact CG2-CB 3.88Å; A194-E200 HydrophobicContact CB-CB 3.93Å; A194-L201 HydrophobicContact CB-CD2 3.42Å; A194-L201 VanDerWaalsContact CB-CD2 3.42Å; A194-L201 HydrophobicContact CB-CG 3.79Å; A194-E232 PolarHBondContact N-O 2.83Å; A194-M233 VanDerWaalsContact O-CA 3.3Å; A194-M233 WeakPolarHBondContact O-CA 3.41Å; A194-M233 WeakPolarHBondContact O-CB 3.27Å
195N98.6Very high98.4Very high96 Ų9636.6 Ų36.651%0.51319%0.19SC..SBendtrans-95.1-12.2175.5-57.3-63.7000113.6I95 E200I95-N195 WeakPolarHBondContact CD1-OD1 3.4Å; N195-E200 PolarHBondContact N-OE2 2.93Å; N195-E200 PolarHBondContact ND2-OE2 2.88Å
196D98.5Very high98.4Very high52 Ų5235.7 Ų35.728%0.27819%0.187SC..  trans-131.1146.7173.317342.7000110.4Y198 E199 E200 L201D196-Y198 VanDerWaalsContact CG-N 3.35Å; D196-Y198 PolarHBondContact OD1-N 2.96Å; D196-Y198 WeakPolarHBondContact OD2-CA 3.4Å; D196-Y198 PolarHBondContact OD2-N 3.1Å; D196-E199 PolarHBondContact OD2-N 2.92Å; D196-E200 HydrophobicContact CB-CB 4.08Å; D196-E200 HydrophobicContact CB-CG 4.07Å; D196-L201 WeakPolarHBondContact O-CG 3.43Å
197F98.2Very high98.4Very high78 Ų7841 Ų4134%0.34223%0.226SC..SBendtrans-77.6-26.2178.9-179.1-97.6000112.7L201 R203 M233F197-L201 HydrophobicContact CD2-CD1 4.29Å; F197-L201 WeakPolarHBondContact O-CB 3.37Å; F197-R203 VanDerWaalsContact CE1-CZ 3.42Å; F197-R203 VanDerWaalsContact CZ-NH1 3.3Å; F197-R203 WeakPolarHBondContact O-CD 3.49Å; F197-R203 PolarHBondContact O-NH1 3.38Å; F197-M233 HydrophobicContact CB-SD 3.98Å; F197-M233 HydrophobicContact CD2-SD 4.38Å
198Y98.5Very high98.4Very high101 Ų10143.7 Ų43.740%0.39624%0.237SC..SBendtrans-98.2-83.9-173-66.6-83.8000112.3D196 L201 G202 R203D196-Y198 VanDerWaalsContact CG-N 3.35Å; D196-Y198 PolarHBondContact OD1-N 2.96Å; D196-Y198 WeakPolarHBondContact OD2-CA 3.4Å; D196-Y198 PolarHBondContact OD2-N 3.1Å; Y198-L201 CarbonylContact O-C 3.53Å; Y198-L201 PolarHBondContact O-N 2.78Å; Y198-G202 PolarHBondContact O-N 2.75Å; Y198-G202 VanDerWaalsContact O-N 3.17Å; Y198-R203 HydrophobicContact CD1-CB 4.29Å; Y198-R203 WeakPolarHBondContact O-CB 3.31Å; Y198-R203 PolarHBondContact O-N 2.9Å
199E98.5Very high98.4Very high69 Ų6943.7 Ų43.732%0.32224%0.239SC..G310 helixtrans-65.9-44.7-170.7-65.3-175.998.700111.7D196 L201 G202 I208 F211D196-E199 PolarHBondContact OD2-N 2.92Å; E199-L201 PolarHBondContact O-N 3.19Å; E199-G202 PolarHBondContact O-N 2.81Å; E199-I208 WeakPolarHBondContact CG-O 3.49Å; E199-I208 VanDerWaalsContact OE1-CG2 3.26Å; E199-I208 WeakPolarHBondContact OE1-CG2 3.24Å; E199-F211 HydrophobicContact CB-CE1 4.36Å
200E98.5Very high98.4Very high70 Ų7049.1 Ų49.133%0.32727%0.271SS..G310 helixtrans-67.7-20.5179.4-74.6-161.5-163.900113.9T144 A194 N195 D196T144-E200 HydrophobicContact CG2-CB 4.39Å; A194-E200 HydrophobicContact CB-CB 3.93Å; N195-E200 PolarHBondContact N-OE2 2.93Å; N195-E200 PolarHBondContact ND2-OE2 2.88Å; D196-E200 HydrophobicContact CB-CB 4.08Å; D196-E200 HydrophobicContact CB-CG 4.07Å
201L97.7Very high98.3Very high3 Ų351.2 Ų51.22%0.01628%0.281CS..G310 helixtrans-97.77.3172.3-67.2-176.3000112.6I192 A194 D196 F197 Y198 E199 R203 M231 R259I192-L201 HydrophobicContact CG2-CD2 4.38Å; A194-L201 HydrophobicContact CB-CD2 3.42Å; A194-L201 VanDerWaalsContact CB-CD2 3.42Å; A194-L201 HydrophobicContact CB-CG 3.79Å; D196-L201 WeakPolarHBondContact O-CG 3.43Å; F197-L201 HydrophobicContact CD2-CD1 4.29Å; F197-L201 WeakPolarHBondContact O-CB 3.37Å; Y198-L201 CarbonylContact O-C 3.53Å; Y198-L201 PolarHBondContact O-N 2.78Å; E199-L201 PolarHBondContact O-N 3.19Å; L201-R203 PolarHBondContact O-N 3.1Å; L201-M231 HydrophobicContact CB-CE 4.43Å; L201-M231 HydrophobicContact CD2-CB 3.58Å; L201-M231 HydrophobicContact CD2-CE 4.24Å; L201-M231 HydrophobicContact CD2-CG 4.41Å; L201-M231 HydrophobicContact CD2-SD 4.1Å; L201-R259 VanDerWaalsContact O-CZ 3.26Å; L201-R259 PolarHBondContact O-NH1 2.91Å; L201-R259 PolarHBondContact O-NH2 3.48Å
202G98Very high98.3Very high6 Ų653.3 Ų53.36%0.06230%0.295CS..THydrogen-bonded Turntrans67.332177.500000113.9Y198 E199 K216 R259Y198-G202 PolarHBondContact O-N 2.75Å; Y198-G202 VanDerWaalsContact O-N 3.17Å; E199-G202 PolarHBondContact O-N 2.81Å; G202-K216 WeakPolarHBondContact O-CD 3.42Å; G202-K216 WeakPolarHBondContact O-CE 3.29Å; G202-K216 WeakPolarHBondContact O-CG 3.42Å; G202-R259 VanDerWaalsContact C-NH2 3.3Å; G202-R259 PolarHBondContact O-NH2 2.68Å; G202-R259 VanDerWaalsContact O-NH2 3.15Å
203R98.5Very high98.3Very high1 Ų159.2 Ų59.20%0.00432%0.321CS..  trans-80.2140.7175.2-74-168.8153.477.66.1111.7D126 F197 Y198 L201 N205 F211 R259 D263D126-R203 IonicContact OD1-CZ 2.76Å; D126-R203 IonicContact OD1-NH1 3.72Å; D126-R203 IonicContact OD1-NH2 3.78Å; D126-R203 PolarHBondContact OD1-NH2 2.92Å; D126-R203 IonicContact OD2-CZ 2.78Å; D126-R203 IonicContact OD2-NH1 3.59Å; D126-R203 PolarHBondContact OD2-NH1 2.72Å; D126-R203 IonicContact OD2-NH2 2.65Å; D126-R203 PolarHBondContact OD2-NH2 2.73Å; F197-R203 VanDerWaalsContact CE1-CZ 3.42Å; F197-R203 VanDerWaalsContact CZ-NH1 3.3Å; F197-R203 WeakPolarHBondContact O-CD 3.49Å; F197-R203 PolarHBondContact O-NH1 3.38Å; Y198-R203 HydrophobicContact CD1-CB 4.29Å; Y198-R203 WeakPolarHBondContact O-CB 3.31Å; Y198-R203 PolarHBondContact O-N 2.9Å; L201-R203 PolarHBondContact O-N 3.1Å; R203-N205 WeakPolarHBondContact CB-OD1 3.36Å; R203-N205 WeakPolarHBondContact CD-OD1 3.15Å; R203-F211 WeakPolarHBondContact O-CZ 3.37Å; R203-R259 VanDerWaalsContact CG-NH2 3.3Å; R203-D263 HydrophobicContact CB-CB 4.43Å; R203-D263 HydrophobicContact CG-CB 4.18Å; R203-D263 PolarHBondContact NE-O 3.45Å
204L98.4Very high98.3Very high62 Ų6265.3 Ų65.333%0.32535%0.349SS..SBendtrans-91.5-3.3176.5-56.9173.2000113.6F211 K213 K216 D263L204-F211 HydrophobicContact CD2-CD2 3.78Å; L204-F211 HydrophobicContact CD2-CE2 3.63Å; L204-K213 HydrophobicContact CD1-CB 3.81Å; L204-K213 HydrophobicContact CD1-CG 4.04Å; L204-K216 HydrophobicContact CD1-CD 4.09Å; L204-K216 HydrophobicContact CD2-CD 4.47Å; L204-K216 HydrophobicContact CG-CD 3.97Å; L204-D263 PolarHBondContact N-OD2 3.48Å
205N97.3Very high98.3Very high68 Ų6870.8 Ų70.836%0.36438%0.375SS..SBendtrans-110.124.5-173.466.8-13000113.4R203R203-N205 WeakPolarHBondContact CB-OD1 3.36Å; R203-N205 WeakPolarHBondContact CD-OD1 3.15Å
206G97.2Very high98.3Very high23 Ų2366.7 Ų66.724%0.23735%0.353CS..SBendtrans-81.7172.516900000112.4I208G206-I208 PolarHBondContact O-N 2.82Å
207S98.1Very high98.3Very high130 Ų13067.2 Ų67.291%0.90936%0.355SS*.SBendtrans-71.6-20.4171.254.20000113.2
208I98.6Very high98.3Very high97 Ų9766.6 Ų66.650%0.49736%0.364SS..  trans-128.1136.2175.2-54.3176.2000106.9E199 G206 T210E199-I208 WeakPolarHBondContact CG-O 3.49Å; E199-I208 VanDerWaalsContact OE1-CG2 3.26Å; E199-I208 WeakPolarHBondContact OE1-CG2 3.24Å; G206-I208 PolarHBondContact O-N 2.82Å; I208-T210 HydrophobicContact CG2-CG2 4.26Å
209C98.4Very high98.3Very high53 Ų5365 Ų6536%0.35836%0.359SS..  trans-152114.5175.5-1770000108.9F211C209-F211 PolarHBondContact SG-O 3.13Å; C209-F211 VanDerWaalsContact SG-O 3.33Å
210T98.3Very high98.3Very high118 Ų11861.7 Ų61.772%0.72434%0.344SS*.  trans-108.914.6-176.466.60000113.3I208I208-T210 HydrophobicContact CG2-CG2 4.26Å
211F98.4Very high98.2Very high45 Ų4562.3 Ų62.320%0.19735%0.347CS..SBendtrans-135.4156.5-178.750.5-94.6000111.2E199 R203 L204 C209 E215 K216E199-F211 HydrophobicContact CB-CE1 4.36Å; R203-F211 WeakPolarHBondContact O-CZ 3.37Å; L204-F211 HydrophobicContact CD2-CD2 3.78Å; L204-F211 HydrophobicContact CD2-CE2 3.63Å; C209-F211 PolarHBondContact SG-O 3.13Å; C209-F211 VanDerWaalsContact SG-O 3.33Å; F211-E215 HydrophobicContact CB-CB 4.19Å; F211-K216 HydrophobicContact CD2-CB 4.27Å; F211-K216 HydrophobicContact CE2-CB 4.34Å
212S98.4Very high98.2Very high44 Ų4464.6 Ų64.631%0.30836%0.363SS..  trans-82.3169.317762.10000112.6E214 E215 K216S212-E214 VanDerWaalsContact C-N 3.26Å; S212-E214 WeakPolarHBondContact CB-OE2 3.38Å; S212-E214 PolarHBondContact O-N 3.09Å; S212-E215 WeakPolarHBondContact CB-OE2 3.25Å; S212-E215 PolarHBondContact N-OE2 2.88Å; S212-E215 PolarHBondContact O-N 3.4Å; S212-E215 WeakPolarHBondContact OG-CG 3.42Å; S212-E215 PolarHBondContact OG-N 2.94Å; S212-E215 PolarHBondContact OG-OE2 3.33Å; S212-K216 PolarHBondContact O-N 3.42Å; S212-K216 VanDerWaalsContact O-N 3.08Å
213K98.4Very high98.2Very high123 Ų12364.3 Ų64.354%0.53536%0.361SS..Hα-helixtrans-63.6-35.5172.6-177.3178.7177.9-179.80111.5L204 K216 L217L204-K213 HydrophobicContact CD1-CB 3.81Å; L204-K213 HydrophobicContact CD1-CG 4.04Å; K213-K216 WeakPolarHBondContact O-CB 3.34Å; K213-K216 PolarHBondContact O-N 3.27Å; K213-L217 HydrophobicContact CG-CD1 4.17Å; K213-L217 HydrophobicContact CG-CG 4.47Å; K213-L217 WeakPolarHBondContact O-CB 3.31Å; K213-L217 WeakPolarHBondContact O-CG 3.37Å; K213-L217 PolarHBondContact O-N 3.29Å
214E98.5Very high98.2Very high133 Ų13367.6 Ų67.662%0.62137%0.373SS*.Hα-helixtrans-65.3-46179.2-66.365.6-145.500110.8S212 L217 A218S212-E214 VanDerWaalsContact C-N 3.26Å; S212-E214 WeakPolarHBondContact CB-OE2 3.38Å; S212-E214 PolarHBondContact O-N 3.09Å; E214-L217 PolarHBondContact O-N 2.74Å; E214-A218 WeakPolarHBondContact O-CB 3.47Å; E214-A218 PolarHBondContact O-N 3.26Å
215E98.5Very high98.2Very high114 Ų11469.8 Ų69.853%0.53339%0.385SS..Hα-helixtrans-62.9-43.9175.2-73.8164.9119.700111.8F211 S212 L217 A218 F219F211-E215 HydrophobicContact CB-CB 4.19Å; S212-E215 WeakPolarHBondContact CB-OE2 3.25Å; S212-E215 PolarHBondContact N-OE2 2.88Å; S212-E215 PolarHBondContact O-N 3.4Å; S212-E215 WeakPolarHBondContact OG-CG 3.42Å; S212-E215 PolarHBondContact OG-N 2.94Å; S212-E215 PolarHBondContact OG-OE2 3.33Å; E215-L217 PolarHBondContact O-N 2.91Å; E215-A218 PolarHBondContact O-N 3.01Å; E215-F219 WeakPolarHBondContact O-CB 3.4Å; E215-F219 PolarHBondContact O-N 3.24Å
216K98.5Very high98.3Very high11 Ų1171.5 Ų71.55%0.04839%0.391CS..Hα-helixtrans-54.2-53.6171.8166.1-169.2177.7-171.90111.1G202 L204 F211 S212 K213 A218 F219 L220 D263G202-K216 WeakPolarHBondContact O-CD 3.42Å; G202-K216 WeakPolarHBondContact O-CE 3.29Å; G202-K216 WeakPolarHBondContact O-CG 3.42Å; L204-K216 HydrophobicContact CD1-CD 4.09Å; L204-K216 HydrophobicContact CD2-CD 4.47Å; L204-K216 HydrophobicContact CG-CD 3.97Å; F211-K216 HydrophobicContact CD2-CB 4.27Å; F211-K216 HydrophobicContact CE2-CB 4.34Å; S212-K216 PolarHBondContact O-N 3.42Å; S212-K216 VanDerWaalsContact O-N 3.08Å; K213-K216 WeakPolarHBondContact O-CB 3.34Å; K213-K216 PolarHBondContact O-N 3.27Å; K216-A218 VanDerWaalsContact C-N 3.33Å; K216-A218 PolarHBondContact O-N 3.16Å; K216-F219 WeakPolarHBondContact O-CB 3.16Å; K216-F219 PolarHBondContact O-N 2.73Å; K216-L220 HydrophobicContact CD-CD1 4.42Å; K216-L220 HydrophobicContact CG-CD1 3.86Å; K216-L220 HydrophobicContact CG-CG 4.32Å; K216-L220 WeakPolarHBondContact O-CG 3.35Å; K216-L220 PolarHBondContact O-N 3.04Å; K216-D263 VanDerWaalsContact CE-OD1 3.24Å; K216-D263 WeakPolarHBondContact CE-OD1 3.37Å; K216-D263 IonicContact NZ-OD1 3.96Å; K216-D263 PolarHBondContact NZ-OD1 3.48Å; K216-D263 IonicContact NZ-OD2 3.98Å; K216-D263 PolarHBondContact NZ-OD2 2.95Å
217L98.4Very high98.3Very high62 Ų6271.6 Ų71.633%0.32539%0.392SS..Hα-helixtrans-66.2-37-175.4-72.7175.6000111.5K213 E214 E215 L220 Q221K213-L217 HydrophobicContact CG-CD1 4.17Å; K213-L217 HydrophobicContact CG-CG 4.47Å; K213-L217 WeakPolarHBondContact O-CB 3.31Å; K213-L217 WeakPolarHBondContact O-CG 3.37Å; K213-L217 PolarHBondContact O-N 3.29Å; E214-L217 PolarHBondContact O-N 2.74Å; E215-L217 PolarHBondContact O-N 2.91Å; L217-L220 PolarHBondContact O-N 2.8Å; L217-Q221 VanDerWaalsContact O-CB 3.22Å; L217-Q221 WeakPolarHBondContact O-CB 3.41Å; L217-Q221 PolarHBondContact O-N 3.16Å
218A98.3Very high98.4Very high66 Ų6665.4 Ų65.455%0.54535%0.348SS..Hα-helixtrans-62.1-43.8173.700000111.9E214 E215 K216 S222E214-A218 WeakPolarHBondContact O-CB 3.47Å; E214-A218 PolarHBondContact O-N 3.26Å; E215-A218 PolarHBondContact O-N 3.01Å; K216-A218 VanDerWaalsContact C-N 3.33Å; K216-A218 PolarHBondContact O-N 3.16Å; A218-S222 WeakPolarHBondContact O-CB 3.28Å; A218-S222 PolarHBondContact O-N 3.14Å
219F98.4Very high98.4Very high66 Ų6663.5 Ų63.529%0.28934%0.335SS..Hα-helixtrans-60.4-54.8173.4168.2-107.9000111.3I192 E215 K216 Q221 S222 V223I192-F219 HydrophobicContact CD1-CZ 4.24Å; E215-F219 WeakPolarHBondContact O-CB 3.4Å; E215-F219 PolarHBondContact O-N 3.24Å; K216-F219 WeakPolarHBondContact O-CB 3.16Å; K216-F219 PolarHBondContact O-N 2.73Å; F219-Q221 VanDerWaalsContact C-N 3.3Å; F219-Q221 PolarHBondContact O-N 3.12Å; F219-S222 WeakPolarHBondContact O-CB 3.39Å; F219-S222 PolarHBondContact O-N 2.94Å; F219-S222 VanDerWaalsContact O-N 3.15Å; F219-V223 HydrophobicContact CD1-CG2 4.34Å; F219-V223 HydrophobicContact CD2-CG2 3.92Å; F219-V223 HydrophobicContact CE1-CG2 3.99Å; F219-V223 HydrophobicContact CE2-CG2 3.54Å; F219-V223 HydrophobicContact CG-CG2 4.31Å; F219-V223 HydrophobicContact CZ-CG2 3.59Å; F219-V223 WeakPolarHBondContact O-CG2 3.32Å; F219-V223 PolarHBondContact O-N 3.19Å
220L98.5Very high98.4Very high0 Ų061 Ų610%032%0.318CS..Hα-helixtrans-63.2-34.7-177.3-65.1179.2000112.7L128 K216 L217 V223 Y224 M231 R259 L260L128-L220 HydrophobicContact CD2-CB 4.47Å; L128-L220 HydrophobicContact CD2-CD2 4.26Å; K216-L220 HydrophobicContact CD-CD1 4.42Å; K216-L220 HydrophobicContact CG-CD1 3.86Å; K216-L220 HydrophobicContact CG-CG 4.32Å; K216-L220 WeakPolarHBondContact O-CG 3.35Å; K216-L220 PolarHBondContact O-N 3.04Å; L217-L220 PolarHBondContact O-N 2.8Å; L220-V223 PolarHBondContact O-N 3.15Å; L220-Y224 WeakPolarHBondContact O-CB 3.39Å; L220-Y224 PolarHBondContact O-N 3.17Å; L220-M231 HydrophobicContact CD2-CE 3.61Å; L220-M231 HydrophobicContact CD2-SD 3.91Å; L220-R259 HydrophobicContact CD1-CB 3.89Å; L220-R259 VanDerWaalsContact CD1-O 3.3Å; L220-R259 WeakPolarHBondContact CD1-O 3.42Å; L220-L260 HydrophobicContact CB-CD2 3.69Å
221Q98.1Very high98.4Very high83 Ų8355.4 Ų55.439%0.38828%0.284SS..Hα-helixtrans-65.5-46.9174.1-172.261.553.300111L217 F219 V223 Y224 D225L217-Q221 VanDerWaalsContact O-CB 3.22Å; L217-Q221 WeakPolarHBondContact O-CB 3.41Å; L217-Q221 PolarHBondContact O-N 3.16Å; F219-Q221 VanDerWaalsContact C-N 3.3Å; F219-Q221 PolarHBondContact O-N 3.12Å; Q221-V223 VanDerWaalsContact C-N 3.31Å; Q221-V223 PolarHBondContact O-N 3.34Å; Q221-Y224 WeakPolarHBondContact O-CB 3.38Å; Q221-Y224 PolarHBondContact O-N 3.3Å; Q221-Y224 VanDerWaalsContact O-N 3.15Å; Q221-D225 PolarHBondContact NE2-OD1 3.16Å; Q221-D225 WeakPolarHBondContact O-CB 3.44Å; Q221-D225 PolarHBondContact O-N 2.94Å
222S97.7Very high98.4Very high52 Ų5253.6 Ų53.636%0.36428%0.276SS..Hα-helixtrans-57.7-44.9175-178.50000111.4A218 F219 Y224 D225 H226A218-S222 WeakPolarHBondContact O-CB 3.28Å; A218-S222 PolarHBondContact O-N 3.14Å; F219-S222 WeakPolarHBondContact O-CB 3.39Å; F219-S222 PolarHBondContact O-N 2.94Å; F219-S222 VanDerWaalsContact O-N 3.15Å; S222-Y224 PolarHBondContact O-N 3.34Å; S222-D225 PolarHBondContact O-N 3.34Å; S222-H226 PolarHBondContact O-N 3.3Å; S222-H226 PolarHBondContact O-ND1 2.92Å
223V98.1Very high98.4Very high0 Ų052.6 Ų52.60%027%0.266CS..Hα-helixtrans-58.6-46.9175.3170.40000111.3L128 L146 I192 F219 L220 Q221 H226 I228L128-V223 HydrophobicContact CD2-CB 3.95Å; L128-V223 HydrophobicContact CD2-CG1 3.42Å; L128-V223 VanDerWaalsContact CD2-CG1 3.42Å; L146-V223 HydrophobicContact CD2-CG1 4.39Å; L146-V223 HydrophobicContact CD2-CG2 4.1Å; I192-V223 HydrophobicContact CD1-CB 4.24Å; I192-V223 HydrophobicContact CD1-CG1 3.38Å; I192-V223 HydrophobicContact CD1-CG2 3.72Å; I192-V223 HydrophobicContact CG1-CG1 4.27Å; F219-V223 HydrophobicContact CD1-CG2 4.34Å; F219-V223 HydrophobicContact CD2-CG2 3.92Å; F219-V223 HydrophobicContact CE1-CG2 3.99Å; F219-V223 HydrophobicContact CE2-CG2 3.54Å; F219-V223 HydrophobicContact CG-CG2 4.31Å; F219-V223 HydrophobicContact CZ-CG2 3.59Å; F219-V223 WeakPolarHBondContact O-CG2 3.32Å; F219-V223 PolarHBondContact O-N 3.19Å; L220-V223 PolarHBondContact O-N 3.15Å; Q221-V223 VanDerWaalsContact C-N 3.31Å; Q221-V223 PolarHBondContact O-N 3.34Å; V223-H226 PolarHBondContact O-N 2.87Å; V223-I228 HydrophobicContact CG1-CB 3.48Å; V223-I228 VanDerWaalsContact CG1-CB 3.48Å; V223-I228 HydrophobicContact CG1-CG1 3.74Å; V223-I228 HydrophobicContact CG1-CG2 3.57Å; V223-I228 VanDerWaalsContact O-CB 3.28Å; V223-I228 WeakPolarHBondContact O-CB 3.31Å; V223-I228 WeakPolarHBondContact O-CG1 3.48Å; V223-I228 PolarHBondContact O-N 3.42Å
224Y98.5Very high98.5Very high70 Ų7047.3 Ų47.328%0.27524%0.244SC..Hα-helixtrans-62.2-41.6177.7179.1-92.5000112.7L128 L220 Q221 S222 H226 G227 R229L128-Y224 HydrophobicContact CB-CD2 4.17Å; L128-Y224 WeakPolarHBondContact O-CD2 3.49Å; L220-Y224 WeakPolarHBondContact O-CB 3.39Å; L220-Y224 PolarHBondContact O-N 3.17Å; Q221-Y224 WeakPolarHBondContact O-CB 3.38Å; Q221-Y224 PolarHBondContact O-N 3.3Å; Q221-Y224 VanDerWaalsContact O-N 3.15Å; S222-Y224 PolarHBondContact O-N 3.34Å; Y224-H226 VanDerWaalsContact C-N 3.26Å; Y224-H226 PolarHBondContact O-N 3.23Å; Y224-G227 WeakPolarHBondContact O-CA 3.49Å; Y224-G227 PolarHBondContact O-N 3.17Å; Y224-R229 PolarHBondContact O-NH1 3.41Å
225D98.1Very high98.5Very high108 Ų10841 Ų4158%0.57821%0.214SC*.Hα-helixtrans-66.3-28.8178.5-66.3-15.9000111.7Q221 S222 G227Q221-D225 PolarHBondContact NE2-OD1 3.16Å; Q221-D225 WeakPolarHBondContact O-CB 3.44Å; Q221-D225 PolarHBondContact O-N 2.94Å; S222-D225 PolarHBondContact O-N 3.34Å; D225-G227 PolarHBondContact O-N 3.36Å
226H98.1Very high98.5Very high104 Ų10435.6 Ų35.648%0.48119%0.189SC..THydrogen-bonded Turntrans-77.213169.3-72.281.1000113.4R140 L146 S222 V223 Y224 I228R140-H226 VanDerWaalsContact CZ-O 3.28Å; R140-H226 PolarHBondContact NH1-O 3.44Å; R140-H226 PolarHBondContact NH2-O 2.76Å; L146-H226 HydrophobicContact CD1-CB 4.03Å; S222-H226 PolarHBondContact O-N 3.3Å; S222-H226 PolarHBondContact O-ND1 2.92Å; V223-H226 PolarHBondContact O-N 2.87Å; Y224-H226 VanDerWaalsContact C-N 3.26Å; Y224-H226 PolarHBondContact O-N 3.23Å; H226-I228 VanDerWaalsContact C-N 3.32Å; H226-I228 PolarHBondContact O-N 3.1Å
227G98.4Very high98.5Very high24 Ų2435.1 Ų35.125%0.24719%0.187CC..THydrogen-bonded Turntrans76.613.1175.800000114.7G190 Y224 D225G190-G227 PolarHBondContact N-O 3.01Å; Y224-G227 WeakPolarHBondContact O-CA 3.49Å; Y224-G227 PolarHBondContact O-N 3.17Å; D225-G227 PolarHBondContact O-N 3.36Å
228I98.8Very high98.5Very high0 Ų032.1 Ų32.10%017%0.172CC..EExtended strand (participates in β ladder)trans-74.4138.7172.1-54.8-54.6000109V142 L146 G190 I192 V223 H226 N230V142-I228 HydrophobicContact CG2-CD1 3.7Å; L146-I228 HydrophobicContact CD2-CG1 4Å; G190-I228 CarbonylContact O-C 3.6Å; G190-I228 VanDerWaalsContact O-CA 3.32Å; G190-I228 WeakPolarHBondContact O-CA 3.48Å; G190-I228 WeakPolarHBondContact O-CG2 3.49Å; I192-I228 HydrophobicContact CD1-CG2 4.49Å; I192-I228 HydrophobicContact CG1-CG1 4.41Å; I192-I228 HydrophobicContact CG1-CG2 4.11Å; V223-I228 HydrophobicContact CG1-CB 3.48Å; V223-I228 VanDerWaalsContact CG1-CB 3.48Å; V223-I228 HydrophobicContact CG1-CG1 3.74Å; V223-I228 HydrophobicContact CG1-CG2 3.57Å; V223-I228 VanDerWaalsContact O-CB 3.28Å; V223-I228 WeakPolarHBondContact O-CB 3.31Å; V223-I228 WeakPolarHBondContact O-CG1 3.48Å; V223-I228 PolarHBondContact O-N 3.42Å; H226-I228 VanDerWaalsContact C-N 3.32Å; H226-I228 PolarHBondContact O-N 3.1Å; I228-N230 WeakPolarHBondContact CG2-O 3.34Å
229R98.8Very high98.6Very high58 Ų5829 Ų2922%0.21915%0.146CC..EExtended strand (participates in β ladder)trans-122.6-14.4179.4-66.7-64.7175.8-923.9113.6G127 L128 V136 G190 Y224G127-R229 WeakPolarHBondContact CA-O 3.37Å; L128-R229 PolarHBondContact N-O 2.86Å; V136-R229 HydrophobicContact CG1-CB 4.08Å; V136-R229 HydrophobicContact CG2-CB 4.31Å; G190-R229 PolarHBondContact O-N 2.92Å; Y224-R229 PolarHBondContact O-NH1 3.41Å
230N98.9Very high98.6Very high0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-151.4169.1171.168.9-21.3000113.6S125 D126 V136 G190 T191 I192 I228 T255S125-N230 WeakPolarHBondContact CB-ND2 3.4Å; S125-N230 PolarHBondContact OG-ND2 2.94Å; D126-N230 CarbonylContact O-C 3.48Å; D126-N230 WeakPolarHBondContact O-CA 3.46Å; D126-N230 WeakPolarHBondContact O-CB 3.46Å; V136-N230 HydrophobicContact CB-CB 4.28Å; V136-N230 HydrophobicContact CG1-CB 4.39Å; V136-N230 HydrophobicContact CG2-CB 4.03Å; G190-N230 PolarHBondContact O-OD1 3.32Å; T191-N230 WeakPolarHBondContact CA-O 3.38Å; T191-N230 WeakPolarHBondContact CA-OD1 3.4Å; T191-N230 VanDerWaalsContact CB-OD1 3.27Å; T191-N230 WeakPolarHBondContact CB-OD1 3.33Å; T191-N230 VanDerWaalsContact CG2-OD1 3.31Å; T191-N230 WeakPolarHBondContact CG2-OD1 3.39Å; T191-N230 PolarHBondContact OG1-OD1 2.95Å; I192-N230 PolarHBondContact N-O 3.32Å; I228-N230 WeakPolarHBondContact CG2-O 3.34Å; N230-T255 HydrophobicContact CB-CG2 4.24Å
231M98.8Very high98.6Very high1 Ų126.2 Ų26.21%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-136.5137.8176.6-42.9-176-70.200110.4S125 D126 L128 I192 L201 L220 R259S125-M231 WeakPolarHBondContact CA-O 3.2Å; S125-M231 WeakPolarHBondContact CB-O 3.28Å; D126-M231 HydrophobicContact CB-CB 4.42Å; D126-M231 HydrophobicContact CB-CE 4.33Å; D126-M231 PolarHBondContact N-O 2.76Å; D126-M231 PolarHBondContact O-N 2.86Å; L128-M231 HydrophobicContact CD1-CE 3.63Å; L128-M231 HydrophobicContact CD1-CG 3.56Å; L128-M231 HydrophobicContact CD1-SD 3.78Å; I192-M231 HydrophobicContact CB-CB 4.02Å; I192-M231 HydrophobicContact CB-CG 3.9Å; I192-M231 HydrophobicContact CD1-CG 4.35Å; I192-M231 HydrophobicContact CD1-SD 4.07Å; I192-M231 HydrophobicContact CG2-CB 4.28Å; I192-M231 HydrophobicContact CG2-CG 4.43Å; I192-M231 WeakPolarHBondContact O-CA 3.29Å; L201-M231 HydrophobicContact CB-CE 4.43Å; L201-M231 HydrophobicContact CD2-CB 3.58Å; L201-M231 HydrophobicContact CD2-CE 4.24Å; L201-M231 HydrophobicContact CD2-CG 4.41Å; L201-M231 HydrophobicContact CD2-SD 4.1Å; L220-M231 HydrophobicContact CD2-CE 3.61Å; L220-M231 HydrophobicContact CD2-SD 3.91Å; M231-R259 HydrophobicContact CE-CB 4.29Å; M231-R259 HydrophobicContact CE-CG 3.98Å
232E98.8Very high98.6Very high7 Ų722.2 Ų22.23%0.03312%0.115CC..EExtended strand (participates in β ladder)trans-151.4-165.5-177.954.482.3-109.300109.6R121 T191 I192 T193 A194 E234 G235 L251R121-E232 IonicContact CZ-OE2 2.77Å; R121-E232 IonicContact NE-OE2 2.82Å; R121-E232 PolarHBondContact NE-OE2 2.86Å; R121-E232 IonicContact NH2-OE2 2.65Å; R121-E232 PolarHBondContact NH2-OE2 3.18Å; T191-E232 HydrophobicContact CG2-CG 3.42Å; T191-E232 VanDerWaalsContact CG2-CG 3.42Å; I192-E232 PolarHBondContact O-N 2.84Å; T193-E232 CarbonylContact C-O 3.58Å; T193-E232 VanDerWaalsContact CA-O 3.28Å; T193-E232 WeakPolarHBondContact CA-O 3.47Å; T193-E232 PolarHBondContact OG1-OE1 3.19Å; A194-E232 PolarHBondContact N-O 2.83Å; E232-E234 PolarHBondContact OE1-N 3.35Å; E232-E234 PolarHBondContact OE2-N 2.88Å; E232-E234 VanDerWaalsContact OE2-N 3.11Å; E232-G235 VanDerWaalsContact CD-N 3.29Å; E232-G235 WeakPolarHBondContact OE1-CA 3.45Å; E232-G235 PolarHBondContact OE1-N 2.98Å; E232-G235 PolarHBondContact OE2-N 2.9Å; E232-L251 HydrophobicContact CG-CD2 4.34Å
233M98.9Very high98.6Very high22 Ų2220.7 Ų20.711%0.10810%0.103CC..SBendtrans-130.29-166.3-60.2176.96900115.1I93 G94 I95 T193 A194 F197I93-M233 HydrophobicContact CG2-CE 4.12Å; I93-M233 HydrophobicContact CG2-SD 4.03Å; G94-M233 CarbonylContact C-O 3.55Å; G94-M233 WeakPolarHBondContact CA-O 3.39Å; I95-M233 PolarHBondContact N-O 3.22Å; I95-M233 VanDerWaalsContact N-O 3.11Å; T193-M233 VanDerWaalsContact CG2-C 3.48Å; A194-M233 VanDerWaalsContact O-CA 3.3Å; A194-M233 WeakPolarHBondContact O-CA 3.41Å; A194-M233 WeakPolarHBondContact O-CB 3.27Å; F197-M233 HydrophobicContact CB-SD 3.98Å; F197-M233 HydrophobicContact CD2-SD 4.38Å
234E98.9Very high98.5Very high12 Ų1222.3 Ų22.36%0.05611%0.111CC..SBendtrans-135.3-18-172.5-62.981-168.500115.2I93 G94 T98 R121 E232 A236 A237 I238I93-E234 WeakPolarHBondContact CA-OE1 3.12Å; G94-E234 PolarHBondContact N-OE1 3.39Å; T98-E234 HydrophobicContact CG2-CB 4.27Å; T98-E234 WeakPolarHBondContact OG1-CG 3.28Å; R121-E234 IonicContact CZ-OE2 2.87Å; R121-E234 IonicContact NE-OE2 2.77Å; R121-E234 IonicContact NH1-OE2 3.98Å; R121-E234 PolarHBondContact NH1-OE2 2.64Å; R121-E234 IonicContact NH2-OE2 2.76Å; R121-E234 PolarHBondContact NH2-OE2 3.08Å; E232-E234 PolarHBondContact OE1-N 3.35Å; E232-E234 PolarHBondContact OE2-N 2.88Å; E232-E234 VanDerWaalsContact OE2-N 3.11Å; E234-A236 PolarHBondContact O-N 3.36Å; E234-A237 WeakPolarHBondContact O-CB 3.4Å; E234-A237 PolarHBondContact O-N 2.97Å; E234-A237 VanDerWaalsContact O-N 3.1Å; E234-I238 HydrophobicContact CB-CD1 4.26Å; E234-I238 PolarHBondContact O-N 3.28Å
235G98.8Very high98.5Very high0 Ų020.4 Ų20.40%011%0.107CC..Hα-helixtrans-58.8-43.9-168.800000115.2T193 E232 A237 I238 T239 L251T193-G235 WeakPolarHBondContact OG1-CA 3.16Å; T193-G235 PolarHBondContact OG1-N 2.74Å; E232-G235 VanDerWaalsContact CD-N 3.29Å; E232-G235 WeakPolarHBondContact OE1-CA 3.45Å; E232-G235 PolarHBondContact OE1-N 2.98Å; E232-G235 PolarHBondContact OE2-N 2.9Å; G235-A237 VanDerWaalsContact C-N 3.3Å; G235-A237 PolarHBondContact O-N 3.37Å; G235-I238 PolarHBondContact O-N 3.43Å; G235-T239 WeakPolarHBondContact O-CB 3.45Å; G235-T239 WeakPolarHBondContact O-CG2 3.49Å; G235-T239 PolarHBondContact O-N 2.82Å; G235-T239 PolarHBondContact O-OG1 2.9Å; G235-L251 VanDerWaalsContact CA-CD2 3.46Å
236A98.7Very high98.4Very high2 Ų216.5 Ų16.52%0.0179%0.092CC..Hα-helixtrans-61.2-38.6177.300000111.9N150 T163 T193 E234 S240N150-A236 HydrophobicContact CB-CB 4.12Å; T163-A236 HydrophobicContact CG2-CB 4.04Å; T193-A236 HydrophobicContact CG2-CB 3.86Å; T193-A236 PolarHBondContact OG1-N 2.98Å; E234-A236 PolarHBondContact O-N 3.36Å; A236-S240 WeakPolarHBondContact O-CB 3.2Å; A236-S240 PolarHBondContact O-N 3.33Å; A236-S240 VanDerWaalsContact O-N 3.08Å; A236-S240 PolarHBondContact O-OG 2.98Å
237A98.8Very high98.4Very high0 Ų012.5 Ų12.50%07%0.073CC..Hα-helixtrans-63.3-51.3177.200000111.3I95 T98 L99 E234 G235 S240 H241I95-A237 HydrophobicContact CB-CB 4.39Å; I95-A237 HydrophobicContact CG1-CB 4.27Å; I95-A237 HydrophobicContact CG2-CB 4.04Å; T98-A237 HydrophobicContact CG2-CB 4.12Å; L99-A237 HydrophobicContact CD2-CB 4.01Å; L99-A237 HydrophobicContact CG-CB 4.05Å; E234-A237 WeakPolarHBondContact O-CB 3.4Å; E234-A237 PolarHBondContact O-N 2.97Å; E234-A237 VanDerWaalsContact O-N 3.1Å; G235-A237 VanDerWaalsContact C-N 3.3Å; G235-A237 PolarHBondContact O-N 3.37Å; A237-S240 PolarHBondContact O-OG 3.44Å; A237-H241 WeakPolarHBondContact O-CB 3.41Å; A237-H241 PolarHBondContact O-N 2.96Å
238I98.9Very high98.4Very high0 Ų015 Ų150%08%0.075CC..Hα-helixtrans-64.5-51.9-175.8-64.3168.2000110.5V44 T98 M102 F119 R121 E234 G235 S240 H241 C242 A249V44-I238 HydrophobicContact CG2-CD1 4.2Å; T98-I238 HydrophobicContact CG2-CD1 3.94Å; T98-I238 HydrophobicContact CG2-CG1 3.51Å; M102-I238 HydrophobicContact CE-CG2 4.45Å; M102-I238 HydrophobicContact SD-CG1 4.06Å; M102-I238 HydrophobicContact SD-CG2 4.48Å; F119-I238 HydrophobicContact CB-CG2 4.43Å; R121-I238 HydrophobicContact CB-CD1 3.88Å; R121-I238 HydrophobicContact CG-CD1 4.06Å; E234-I238 HydrophobicContact CB-CD1 4.26Å; E234-I238 PolarHBondContact O-N 3.28Å; G235-I238 PolarHBondContact O-N 3.43Å; I238-S240 PolarHBondContact O-N 2.93Å; I238-H241 PolarHBondContact O-N 2.79Å; I238-C242 WeakPolarHBondContact O-CB 3.39Å; I238-C242 PolarHBondContact O-N 2.93Å; I238-C242 PolarHBondContact O-SG 2.92Å; I238-C242 VanDerWaalsContact O-SG 3.33Å; I238-A249 HydrophobicContact CG2-CB 4.01Å
239T98.8Very high98.4Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-72.2-27.7-174.457.20000113.6C141 T163 K164 V165 G235 N243 A249 L251C141-T239 HydrophobicContact CB-CG2 4.47Å; T163-T239 VanDerWaalsContact CB-OG1 3.31Å; T163-T239 WeakPolarHBondContact CB-OG1 3.4Å; T163-T239 WeakPolarHBondContact CG2-OG1 3.37Å; K164-T239 PolarHBondContact N-O 2.91Å; K164-T239 VanDerWaalsContact N-O 3.1Å; K164-T239 WeakPolarHBondContact O-CB 3.38Å; V165-T239 HydrophobicContact CG2-CG2 3.85Å; G235-T239 WeakPolarHBondContact O-CB 3.45Å; G235-T239 WeakPolarHBondContact O-CG2 3.49Å; G235-T239 PolarHBondContact O-N 2.82Å; G235-T239 PolarHBondContact O-OG1 2.9Å; T239-N243 WeakPolarHBondContact O-CB 3.5Å; T239-A249 HydrophobicContact CG2-CB 4Å; T239-L251 HydrophobicContact CG2-CD1 3.72Å
240S98.5Very high98.4Very high0 Ų012.3 Ų12.30%07%0.065CC..Hα-helixtrans-79.6-37.4172.766.60000112.4N150 A236 A237 I238 L244N150-S240 WeakPolarHBondContact CB-OG 3.31Å; N150-S240 PolarHBondContact ND2-OG 2.96Å; A236-S240 WeakPolarHBondContact O-CB 3.2Å; A236-S240 PolarHBondContact O-N 3.33Å; A236-S240 VanDerWaalsContact O-N 3.08Å; A236-S240 PolarHBondContact O-OG 2.98Å; A237-S240 PolarHBondContact O-OG 3.44Å; I238-S240 PolarHBondContact O-N 2.93Å; S240-L244 PolarHBondContact O-N 3.18Å
241H98.5Very high98.4Very high7 Ų712.3 Ų12.33%0.0327%0.065CC..Hα-helixtrans-70.3-49.4-179.1-161.6114.3000111.3M102 H103 T106 A237 I238 N243 L244 T245M102-H241 HydrophobicContact CB-CB 4.26Å; M102-H241 HydrophobicContact CE-CB 4.39Å; M102-H241 HydrophobicContact CG-CB 4.42Å; H103-H241 AromaticContact CD2-CE1 3.68Å; H103-H241 AromaticContact CE1-CE1 3.69Å; H103-H241 AromaticContact CG-CE1 3.77Å; H103-H241 AromaticContact ND1-CE1 3.77Å; H103-H241 AromaticContact NE2-CE1 3.61Å; T106-H241 PolarHBondContact OG1-NE2 3.31Å; A237-H241 WeakPolarHBondContact O-CB 3.41Å; A237-H241 PolarHBondContact O-N 2.96Å; I238-H241 PolarHBondContact O-N 2.79Å; H241-N243 VanDerWaalsContact C-N 3.26Å; H241-N243 PolarHBondContact O-N 3.11Å; H241-L244 PolarHBondContact O-N 2.95Å; H241-T245 PolarHBondContact O-N 3.29Å; H241-T245 PolarHBondContact O-OG1 3.24Å
242C98.5Very high98.4Very high0 Ų012.2 Ų12.20%07%0.065CC..Hα-helixtrans-56.4-41.3176.5-70.50000112.1M102 F119 I238 L244 T245 G246 H247 A249M102-C242 WeakPolarHBondContact CE-SG 3.35Å; F119-C242 VanDerWaalsContact CD2-SG 3.51Å; F119-C242 VanDerWaalsContact CG-SG 3.5Å; I238-C242 WeakPolarHBondContact O-CB 3.39Å; I238-C242 PolarHBondContact O-N 2.93Å; I238-C242 PolarHBondContact O-SG 2.92Å; I238-C242 VanDerWaalsContact O-SG 3.33Å; C242-L244 VanDerWaalsContact C-N 3.27Å; C242-L244 PolarHBondContact O-N 2.98Å; C242-T245 PolarHBondContact O-N 2.7Å; C242-T245 PolarHBondContact O-OG1 2.87Å; C242-G246 PolarHBondContact O-N 3.04Å; C242-G246 VanDerWaalsContact O-N 3.14Å; C242-H247 CarbonylContact C-O 3.6Å; C242-H247 VanDerWaalsContact C-O 3.27Å; C242-H247 HydrophobicContact CB-CB 4.03Å; C242-H247 PolarHBondContact O-N 2.87Å; C242-A249 HydrophobicContact CB-CB 3.83Å
243N97.2Very high98.4Very high20 Ų2011.9 Ų11.911%0.1076%0.063CC..Hα-helixtrans-57-39.9177.3-17434.4000112.3Q162 K164 T239 H241Q162-N243 PolarHBondContact O-ND2 2.73Å; K164-N243 HydrophobicContact CB-CB 3.85Å; K164-N243 WeakPolarHBondContact CD-OD1 3.43Å; T239-N243 WeakPolarHBondContact O-CB 3.5Å; H241-N243 VanDerWaalsContact C-N 3.26Å; H241-N243 PolarHBondContact O-N 3.11Å
244L97.6Very high98.4Very high33 Ų3310.9 Ų10.917%0.1736%0.058CC..Hα-helixtrans-81-27.2179.4-67.3-176000113.8V4 P6 I7 R161 S240 H241 C242V4-L244 HydrophobicContact CG1-CD2 4.17Å; P6-L244 CarbonylContact C-O 3.35Å; P6-L244 WeakPolarHBondContact CA-O 3.42Å; I7-L244 HydrophobicContact CD1-CB 4.45Å; I7-L244 HydrophobicContact CD1-CD1 4.46Å; I7-L244 HydrophobicContact CD1-CD2 4.19Å; I7-L244 PolarHBondContact N-O 3.29Å; R161-L244 HydrophobicContact CB-CD1 4.31Å; R161-L244 HydrophobicContact CG-CD1 3.78Å; S240-L244 PolarHBondContact O-N 3.18Å; H241-L244 PolarHBondContact O-N 2.95Å; C242-L244 VanDerWaalsContact C-N 3.27Å; C242-L244 PolarHBondContact O-N 2.98Å
245T97.5Very high98.4Very high31 Ų3110.3 Ų10.319%0.196%0.056CC..Hα-helixtrans-91.84.5-179.861.30000113.5T106 H241 C242 H247T106-T245 HydrophobicContact CG2-CG2 4.18Å; H241-T245 PolarHBondContact O-N 3.29Å; H241-T245 PolarHBondContact O-OG1 3.24Å; C242-T245 PolarHBondContact O-N 2.7Å; C242-T245 PolarHBondContact O-OG1 2.87Å; T245-H247 PolarHBondContact OG1-CD2 2.98Å; T245-H247 VanDerWaalsContact OG1-CD2 3.31Å
246G96.8Very high98.3Very high25 Ų2510.8 Ų10.826%0.2586%0.059SC..THydrogen-bonded Turntrans78.132.5178.400000114.3C242C242-G246 PolarHBondContact O-N 3.04Å; C242-G246 VanDerWaalsContact O-N 3.14Å
247H98.2Very high98.3Very high20 Ų2010.9 Ų10.99%0.0936%0.059CC..  trans-123.8162.6178.9-61.4-31.9000110.3V117 F119 C242 T245V117-H247 WeakPolarHBondContact O-CB 3.14Å; F119-H247 HydrophobicContact CD2-CB 4.07Å; F119-H247 HydrophobicContact CE2-CB 4Å; F119-H247 AromaticContact CE2-CD2 3.7Å; F119-H247 AromaticContact CE2-CG 3.98Å; C242-H247 CarbonylContact C-O 3.6Å; C242-H247 VanDerWaalsContact C-O 3.27Å; C242-H247 HydrophobicContact CB-CB 4.03Å; C242-H247 PolarHBondContact O-N 2.87Å; T245-H247 PolarHBondContact OG1-CD2 2.98Å; T245-H247 VanDerWaalsContact OG1-CD2 3.31Å
248R98.5Very high98.2Very high77 Ų7711.4 Ų11.429%0.2916%0.062SC..EExtended strand (participates in β ladder)trans-101.3153.3176.9-69.3176.5-61.8119.2-0.4109.3D116 V117 L118 F119 D166D116-R248 PolarHBondContact O-NH2 2.89Å; D116-R248 VanDerWaalsContact OD1-CD 3.26Å; D116-R248 WeakPolarHBondContact OD1-CD 3.16Å; D116-R248 WeakPolarHBondContact OD1-CG 3.11Å; D116-R248 IonicContact OD1-CZ 2.87Å; D116-R248 IonicContact OD1-NE 3.8Å; D116-R248 PolarHBondContact OD1-NE 2.76Å; D116-R248 IonicContact OD2-CZ 2.57Å; D116-R248 IonicContact OD2-NE 2.86Å; D116-R248 PolarHBondContact OD2-NE 3.47Å; D116-R248 IonicContact OD2-NH2 3.98Å; V117-R248 PolarHBondContact O-N 2.9Å; L118-R248 HydrophobicContact CD1-CB 3.68Å; F119-R248 PolarHBondContact N-O 3.13Å; D166-R248 HydrophobicContact CB-CB 4.09Å; D166-R248 HydrophobicContact CB-CG 4.46Å; D166-R248 VanDerWaalsContact OD2-CD 3.29Å; D166-R248 WeakPolarHBondContact OD2-CD 3.25Å; D166-R248 IonicContact OD2-CZ 2.96Å; D166-R248 IonicContact OD2-NE 2.76Å; D166-R248 IonicContact OD2-NH1 3.08Å; D166-R248 PolarHBondContact OD2-NH1 2.84Å
249A98.9Very high98.2Very high1 Ų111.4 Ų11.41%0.0086%0.062CC..EExtended strand (participates in β ladder)trans-141.6141.1179.900000111.2F119 V165 D166 I238 T239 C242F119-A249 HydrophobicContact CB-CB 4.44Å; F119-A249 CarbonylContact O-C 3.57Å; F119-A249 VanDerWaalsContact O-CA 3.29Å; F119-A249 WeakPolarHBondContact O-CA 3Å; V165-A249 WeakPolarHBondContact CA-O 3.43Å; D166-A249 PolarHBondContact N-O 3.29Å; I238-A249 HydrophobicContact CG2-CB 4.01Å; T239-A249 HydrophobicContact CG2-CB 4Å; C242-A249 HydrophobicContact CB-CB 3.83Å
250I98.9Very high98.1Very high0 Ų013.7 Ų13.70%07%0.074CC..EExtended strand (participates in β ladder)trans-136.6155.9168.457.9167.2000110.5L118 F119 I120 R121 V165 D166 A169 V170 L173 V252L118-I250 HydrophobicContact CD1-CG1 4.24Å; L118-I250 HydrophobicContact CD1-CG2 4.3Å; L118-I250 HydrophobicContact CD2-CD1 4.43Å; F119-I250 PolarHBondContact O-N 2.89Å; I120-I250 HydrophobicContact CB-CD1 4.39Å; I120-I250 HydrophobicContact CB-CG1 4.13Å; I120-I250 HydrophobicContact CD1-CD1 4.22Å; I120-I250 HydrophobicContact CG1-CD1 3.91Å; I120-I250 HydrophobicContact CG1-CG1 3.84Å; I120-I250 HydrophobicContact CG2-CD1 3.91Å; I120-I250 HydrophobicContact CG2-CG1 3.95Å; R121-I250 PolarHBondContact N-O 2.77Å; V165-I250 HydrophobicContact CG1-CG2 4.3Å; D166-I250 HydrophobicContact CB-CG2 3.94Å; A169-I250 HydrophobicContact CB-CD1 4.38Å; A169-I250 HydrophobicContact CB-CG2 3.88Å; V170-I250 HydrophobicContact CG2-CB 4.46Å; V170-I250 HydrophobicContact CG2-CG2 3.86Å; L173-I250 HydrophobicContact CD1-CD1 3.28Å; I250-V252 HydrophobicContact CD1-CG2 4.25Å
251L98.9Very high98Very high0 Ų020.9 Ų20.90%011%0.107CC..EExtended strand (participates in β ladder)trans-117129.8172.5-87.670.5000109.1R121 S138 T191 E232 G235 T239R121-L251 HydrophobicContact CB-CD1 4.4Å; R121-L251 HydrophobicContact CB-CG 4.06Å; R121-L251 HydrophobicContact CG-CG 4.34Å; S138-L251 PolarHBondContact N-O 3.09Å; S138-L251 WeakPolarHBondContact OG-CB 3.36Å; T191-L251 HydrophobicContact CG2-CD2 4.24Å; E232-L251 HydrophobicContact CG-CD2 4.34Å; G235-L251 VanDerWaalsContact CA-CD2 3.46Å; T239-L251 HydrophobicContact CG2-CD1 3.72Å
252V98.9Very high97.9Very high0 Ų022.8 Ų22.80%012%0.119CC..EExtended strand (participates in β ladder)trans-125.198.5174.3-174.40000106.5I120 R121 L122 G123 I135 L137 L173 I250 P279 V283I120-V252 HydrophobicContact CG2-CG2 4.17Å; R121-V252 PolarHBondContact O-N 3.37Å; L122-V252 WeakPolarHBondContact CA-O 3.41Å; L122-V252 HydrophobicContact CD2-CB 4.4Å; G123-V252 PolarHBondContact N-O 3Å; I135-V252 HydrophobicContact CG2-CG1 3.63Å; L137-V252 HydrophobicContact CD2-CB 4.21Å; L137-V252 HydrophobicContact CD2-CG1 3.8Å; L137-V252 HydrophobicContact CD2-CG2 3.8Å; L173-V252 HydrophobicContact CD1-CG2 3.98Å; I250-V252 HydrophobicContact CD1-CG2 4.25Å; V252-P279 HydrophobicContact CB-CB 4.48Å; V252-P279 HydrophobicContact CG1-CB 3.92Å; V252-V283 HydrophobicContact CB-CG2 4.1Å; V252-V283 HydrophobicContact CG1-CG2 4.07Å; V252-V283 HydrophobicContact CG2-CG2 3.76Å
253C98.8Very high97.9Very high0 Ų023.4 Ų23.40%012%0.123CC..EExtended strand (participates in β ladder)trans-118.6133.1-173.3-64.20000110.9G123 S125 I135 V136G123-C253 VanDerWaalsContact O-CA 3.28Å; G123-C253 WeakPolarHBondContact O-CA 3.37Å; S125-C253 WeakPolarHBondContact OG-CB 3.48Å; I135-C253 CarbonylContact C-O 3.36Å; I135-C253 WeakPolarHBondContact CA-O 3.43Å; V136-C253 PolarHBondContact N-O 2.85Å; V136-C253 PolarHBondContact O-N 2.77Å
254V98.4Very high97.6Very high0 Ų028.1 Ų28.10%014%0.144CC..EExtended strand (participates in β ladder)trans-82.9143.9168.366.60000110.1G123 T124 S125 T134 F275 L278 P279G123-V254 PolarHBondContact O-N 2.9Å; T124-V254 CarbonylContact C-O 3.49Å; T124-V254 WeakPolarHBondContact CA-O 3.29Å; T124-V254 HydrophobicContact CG2-CG1 3.94Å; S125-V254 PolarHBondContact N-O 2.56Å; S125-V254 PolarHBondContact OG-O 3.49Å; S125-V254 VanDerWaalsContact OG-O 3.05Å; T134-V254 CarbonylContact O-C 3.55Å; T134-V254 WeakPolarHBondContact O-CA 3.32Å; V254-F275 HydrophobicContact CG1-CB 4.34Å; V254-F275 WeakPolarHBondContact CG1-O 3.46Å; V254-F275 HydrophobicContact CG2-CB 3.89Å; V254-F275 HydrophobicContact CG2-CG 4.37Å; V254-L278 HydrophobicContact CG2-CD1 4.06Å; V254-P279 HydrophobicContact CB-CG 3.88Å; V254-P279 HydrophobicContact CG1-CG 4.11Å
255T98.3Very high97.3Very high0 Ų029.4 Ų29.40%015%0.153CC..EExtended strand (participates in β ladder)trans-87.7137.5173.960.10000111.1S125 G127 V130 K131 G133 T134 V136 N230S125-T255 CarbonylContact O-C 3.51Å; S125-T255 WeakPolarHBondContact O-CA 3.26Å; G127-T255 VanDerWaalsContact CA-CG2 3.46Å; V130-T255 HydrophobicContact CG2-CG2 3.73Å; K131-T255 PolarHBondContact O-OG1 2.99Å; G133-T255 PolarHBondContact N-O 2.96Å; T134-T255 PolarHBondContact N-OG1 3.12Å; T134-T255 PolarHBondContact O-N 3.17Å; T134-T255 PolarHBondContact O-OG1 2.72Å; V136-T255 HydrophobicContact CG2-CG2 3.77Å; N230-T255 HydrophobicContact CB-CG2 4.24Å
256V97.2Very high96.9Very high10 Ų1033.2 Ų33.26%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-110.2-12.2-178.8-58.40000113.2T124 S125 V265 F272T124-V256 HydrophobicContact CG2-CG1 4.27Å; S125-V256 PolarHBondContact O-N 2.77Å; V256-V265 HydrophobicContact CB-CG1 4.31Å; V256-V265 HydrophobicContact CB-CG2 4.49Å; V256-V265 HydrophobicContact CG2-CG2 3.84Å; V256-F272 HydrophobicContact CB-CD2 4.25Å; V256-F272 HydrophobicContact CB-CE2 3.86Å; V256-F272 HydrophobicContact CG1-CD2 4.01Å; V256-F272 HydrophobicContact CG1-CE2 3.51Å; V256-F272 HydrophobicContact CG1-CZ 4.27Å; V256-F272 HydrophobicContact CG2-CE2 4.29Å
257V97.3Very high96.5Very high4 Ų433.1 Ų33.12%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-154.8151.4-179.962.70000109.4D126 G127 R259 T262 E264 V265D126-V257 HydrophobicContact CB-CG1 4.27Å; D126-V257 VanDerWaalsContact OD1-CG1 3.28Å; D126-V257 WeakPolarHBondContact OD1-CG1 3.42Å; G127-V257 WeakPolarHBondContact CA-O 3.39Å; G127-V257 PolarHBondContact N-O 3.46Å; V257-R259 HydrophobicContact CG1-CG 4.13Å; V257-T262 HydrophobicContact CG2-CG2 3.59Å; V257-T262 WeakPolarHBondContact CG2-O 3.19Å; V257-E264 WeakPolarHBondContact CG2-O 3.25Å; V257-V265 HydrophobicContact CB-CG2 4.42Å
258N97.8Very high96.2Very high12 Ų1235.4 Ų35.46%0.06419%0.189CC..EExtended strand (participates in β ladder)trans-95.4108.4164.3-176.28.3000109.4G129 V130 L260 E261 T262G129-N258 PolarHBondContact N-OD1 2.98Å; V130-N258 WeakPolarHBondContact O-CB 3.32Å; N258-L260 PolarHBondContact O-N 3.01Å; N258-L260 PolarHBondContact OD1-N 2.86Å; N258-E261 HydrophobicContact CB-CG 4.41Å; N258-E261 PolarHBondContact ND2-OE1 2.96Å; N258-E261 PolarHBondContact O-N 3.5Å; N258-T262 PolarHBondContact O-N 3.07Å; N258-T262 VanDerWaalsContact O-N 3.11Å
259R98.4Very high95.9Very high0 Ų036.6 Ų36.60%021%0.205CC..THydrogen-bonded Turntrans-70.5-16.9-173.4-66.3-62.8-56.9-58.2-15114.8D126 G127 L128 L201 G202 R203 L220 M231 V257 E261 T262 D263D126-R259 HydrophobicContact CB-CG 3.54Å; D126-R259 WeakPolarHBondContact OD2-CD 3.36Å; D126-R259 IonicContact OD2-CZ 3.09Å; D126-R259 IonicContact OD2-NE 2.7Å; D126-R259 IonicContact OD2-NH1 3.7Å; D126-R259 PolarHBondContact OD2-NH1 3.37Å; G127-R259 PolarHBondContact O-N 3.15Å; L128-R259 HydrophobicContact CD1-CB 4.36Å; L201-R259 VanDerWaalsContact O-CZ 3.26Å; L201-R259 PolarHBondContact O-NH1 2.91Å; L201-R259 PolarHBondContact O-NH2 3.48Å; G202-R259 VanDerWaalsContact C-NH2 3.3Å; G202-R259 PolarHBondContact O-NH2 2.68Å; G202-R259 VanDerWaalsContact O-NH2 3.15Å; R203-R259 VanDerWaalsContact CG-NH2 3.3Å; L220-R259 HydrophobicContact CD1-CB 3.89Å; L220-R259 VanDerWaalsContact CD1-O 3.3Å; L220-R259 WeakPolarHBondContact CD1-O 3.42Å; M231-R259 HydrophobicContact CE-CB 4.29Å; M231-R259 HydrophobicContact CE-CG 3.98Å; V257-R259 HydrophobicContact CG1-CG 4.13Å; R259-E261 PolarHBondContact O-N 3.42Å; R259-T262 WeakPolarHBondContact CA-O 3.08Å; R259-D263 IonicContact CZ-OD1 3.63Å; R259-D263 IonicContact NE-OD1 3.59Å; R259-D263 PolarHBondContact NE-OD1 2.93Å; R259-D263 IonicContact NH2-OD1 3.79Å; R259-D263 PolarHBondContact NH2-OD1 3.18Å
260L97.6Very high95.6Very high48 Ų4841.8 Ų41.825%0.25123%0.233SC..THydrogen-bonded Turntrans-69.4-19.2169.9-62.4179.9000112.1L220 N258L220-L260 HydrophobicContact CB-CD2 3.69Å; N258-L260 PolarHBondContact O-N 3.01Å; N258-L260 PolarHBondContact OD1-N 2.86Å
261E96.7Very high95.3Very high151 Ų15145.9 Ų45.971%0.70625%0.252SS*.THydrogen-bonded Turntrans-106.3-46.6-177.5-65.8171.8-151.700112.3N258 R259N258-E261 HydrophobicContact CB-CG 4.41Å; N258-E261 PolarHBondContact ND2-OE1 2.96Å; N258-E261 PolarHBondContact O-N 3.5Å; R259-E261 PolarHBondContact O-N 3.42Å
262T96.5Very high95Very high46 Ų4648.5 Ų48.528%0.28226%0.264SS..  trans-153.1158.3-174.8-175.20000112.7V257 N258 R259 E264V257-T262 HydrophobicContact CG2-CG2 3.59Å; V257-T262 WeakPolarHBondContact CG2-O 3.19Å; N258-T262 PolarHBondContact O-N 3.07Å; N258-T262 VanDerWaalsContact O-N 3.11Å; R259-T262 WeakPolarHBondContact CA-O 3.08Å; T262-E264 WeakPolarHBondContact CG2-O 3.26Å; T262-E264 PolarHBondContact OG1-N 3.3Å
263D96.7Very high94.7Very high13 Ų1353.6 Ų53.67%0.0729%0.286CS..SBendtrans-93.1-15.9170.7-70-37.3000113.3R203 L204 K216 R259R203-D263 HydrophobicContact CB-CB 4.43Å; R203-D263 HydrophobicContact CG-CB 4.18Å; R203-D263 PolarHBondContact NE-O 3.45Å; L204-D263 PolarHBondContact N-OD2 3.48Å; K216-D263 VanDerWaalsContact CE-OD1 3.24Å; K216-D263 WeakPolarHBondContact CE-OD1 3.37Å; K216-D263 IonicContact NZ-OD1 3.96Å; K216-D263 PolarHBondContact NZ-OD1 3.48Å; K216-D263 IonicContact NZ-OD2 3.98Å; K216-D263 PolarHBondContact NZ-OD2 2.95Å; R259-D263 IonicContact CZ-OD1 3.63Å; R259-D263 IonicContact NE-OD1 3.59Å; R259-D263 PolarHBondContact NE-OD1 2.93Å; R259-D263 IonicContact NH2-OD1 3.79Å; R259-D263 PolarHBondContact NH2-OD1 3.18Å
264E92.4Very high94.4Very high120 Ų12058.6 Ų58.656%0.56131%0.312SS*.SBendtrans-88.1134.5-175.9-64.4-171.5174.200111.5V257 T262 T266V257-E264 WeakPolarHBondContact CG2-O 3.25Å; T262-E264 WeakPolarHBondContact CG2-O 3.26Å; T262-E264 PolarHBondContact OG1-N 3.3Å; E264-T266 HydrophobicContact CB-CG2 4.1Å; E264-T266 PolarHBondContact O-N 3.15Å; E264-T266 VanDerWaalsContact O-N 3.14Å
265V90.4Very high94.2Very high59 Ų5959.7 Ų59.736%0.35832%0.316SS..  trans-79.693.8167.7-178.10000107.4V256 V257 T267 F272V256-V265 HydrophobicContact CB-CG1 4.31Å; V256-V265 HydrophobicContact CB-CG2 4.49Å; V256-V265 HydrophobicContact CG2-CG2 3.84Å; V257-V265 HydrophobicContact CB-CG2 4.42Å; V265-T267 VanDerWaalsContact C-N 3.31Å; V265-F272 HydrophobicContact CG1-CD2 3.97Å; V265-F272 HydrophobicContact CG1-CE2 4.22Å
266T88.3Confident94Very high112 Ų11262.1 Ų62.169%0.68733%0.328SS*.  trans-85-5.9-177.659.10000113.5E264E264-T266 HydrophobicContact CB-CG2 4.1Å; E264-T266 PolarHBondContact O-N 3.15Å; E264-T266 VanDerWaalsContact O-N 3.14Å
267T88.8Confident93.8Very high23 Ų2366.8 Ų66.814%0.14135%0.349CS..SBendtrans-60.7136.4176-63.60000111V265 E271 F272 F275V265-T267 VanDerWaalsContact C-N 3.31Å; T267-E271 HydrophobicContact CG2-CB 3.51Å; T267-E271 HydrophobicContact CG2-CG 3.49Å; T267-E271 VanDerWaalsContact CG2-CG 3.49Å; T267-E271 WeakPolarHBondContact CG2-OE2 3.31Å; T267-F272 HydrophobicContact CG2-CB 4.21Å; T267-F275 HydrophobicContact CG2-CD2 4.14Å; T267-F275 HydrophobicContact CG2-CE2 3.79Å; T267-F275 HydrophobicContact CG2-CZ 4.42Å
268S92.6Very high93.8Very high67 Ų6767.4 Ų67.447%0.46935%0.352SS..  trans-61.2155.7177.271.20000111.7D270 E271 F272S268-D270 PolarHBondContact O-N 2.93Å; S268-E271 PolarHBondContact O-N 3.25Å; S268-E271 VanDerWaalsContact O-N 3.16Å; S268-E271 VanDerWaalsContact OG-CB 3.28Å; S268-E271 WeakPolarHBondContact OG-CB 3.5Å; S268-E271 PolarHBondContact OG-N 3.29Å; S268-F272 WeakPolarHBondContact O-CB 3.46Å; S268-F272 PolarHBondContact O-N 3.49Å
269T91.5Very high93.8Very high102 Ų10266.9 Ų66.963%0.62635%0.35SS*.Hα-helixtrans-56.1-37178.7-55.30000112.9K273T269-K273 VanDerWaalsContact O-CG 3.31Å; T269-K273 WeakPolarHBondContact O-CG 3.41Å; T269-K273 PolarHBondContact O-N 3.01Å
270D93.3Very high93.7Very high110 Ų11067.4 Ų67.459%0.58836%0.355SS*.Hα-helixtrans-73.7-39.1179.4-69.8-24000112.1S268 K273 L274S268-D270 PolarHBondContact O-N 2.93Å; D270-K273 PolarHBondContact O-N 3.31Å; D270-K273 IonicContact OD1-NZ 3.79Å; D270-L274 WeakPolarHBondContact O-CG 3.13Å; D270-L274 PolarHBondContact O-N 3.39Å
271E93.1Very high93.7Very high86 Ų8669.7 Ų69.740%0.40236%0.364SS..Hα-helixtrans-67-37.8174.2-173.2-179.6-159.400111.5T267 S268 L274 F275T267-E271 HydrophobicContact CG2-CB 3.51Å; T267-E271 HydrophobicContact CG2-CG 3.49Å; T267-E271 VanDerWaalsContact CG2-CG 3.49Å; T267-E271 WeakPolarHBondContact CG2-OE2 3.31Å; S268-E271 PolarHBondContact O-N 3.25Å; S268-E271 VanDerWaalsContact O-N 3.16Å; S268-E271 VanDerWaalsContact OG-CB 3.28Å; S268-E271 WeakPolarHBondContact OG-CB 3.5Å; S268-E271 PolarHBondContact OG-N 3.29Å; E271-L274 WeakPolarHBondContact O-CB 3.32Å; E271-L274 PolarHBondContact O-N 3.03Å; E271-L274 VanDerWaalsContact O-N 3.16Å; E271-F275 HydrophobicContact CG-CD1 4.42Å; E271-F275 HydrophobicContact CG-CE1 3.83Å; E271-F275 HydrophobicContact CG-CE2 4.25Å; E271-F275 HydrophobicContact CG-CZ 3.73Å; E271-F275 WeakPolarHBondContact O-CG 3.2Å; E271-F275 PolarHBondContact O-N 3.06Å
272F92.2Very high93.7Very high56 Ų5662.5 Ų62.525%0.24633%0.331CS..Hα-helixtrans-61.2-46.3173.6-173.2-88.1000111.3V256 V265 T267 S268 L274 F275 E276V256-F272 HydrophobicContact CB-CD2 4.25Å; V256-F272 HydrophobicContact CB-CE2 3.86Å; V256-F272 HydrophobicContact CG1-CD2 4.01Å; V256-F272 HydrophobicContact CG1-CE2 3.51Å; V256-F272 HydrophobicContact CG1-CZ 4.27Å; V256-F272 HydrophobicContact CG2-CE2 4.29Å; V265-F272 HydrophobicContact CG1-CD2 3.97Å; V265-F272 HydrophobicContact CG1-CE2 4.22Å; T267-F272 HydrophobicContact CG2-CB 4.21Å; S268-F272 WeakPolarHBondContact O-CB 3.46Å; S268-F272 PolarHBondContact O-N 3.49Å; F272-L274 PolarHBondContact O-N 3.38Å; F272-F275 WeakPolarHBondContact O-CB 3.18Å; F272-F275 PolarHBondContact O-N 3.1Å; F272-F275 VanDerWaalsContact O-N 3.11Å; F272-E276 HydrophobicContact CD1-CG 3.95Å; F272-E276 HydrophobicContact CE1-CG 3.68Å; F272-E276 VanDerWaalsContact CE1-OE1 3.31Å; F272-E276 WeakPolarHBondContact CE1-OE1 3.39Å; F272-E276 HydrophobicContact CZ-CG 4.32Å; F272-E276 WeakPolarHBondContact O-CG 3.37Å; F272-E276 PolarHBondContact O-N 3.23Å
273K92.1Very high93.8Very high107 Ų10760.3 Ų60.347%0.46532%0.317SS..Hα-helixtrans-59-36174.3-75.1170.8-175.7166.30112.4T269 D270 Q277T269-K273 VanDerWaalsContact O-CG 3.31Å; T269-K273 WeakPolarHBondContact O-CG 3.41Å; T269-K273 PolarHBondContact O-N 3.01Å; D270-K273 PolarHBondContact O-N 3.31Å; D270-K273 IonicContact OD1-NZ 3.79Å; K273-Q277 WeakPolarHBondContact O-CG 3.46Å
274L92.9Very high93.9Very high104 Ų10459.9 Ų59.955%0.54532%0.315SS..Hα-helixtrans-67.8-43.6174.5-71.6169.9000111.3D270 E271 F272 E276 Q277D270-L274 WeakPolarHBondContact O-CG 3.13Å; D270-L274 PolarHBondContact O-N 3.39Å; E271-L274 WeakPolarHBondContact O-CB 3.32Å; E271-L274 PolarHBondContact O-N 3.03Å; E271-L274 VanDerWaalsContact O-N 3.16Å; F272-L274 PolarHBondContact O-N 3.38Å; L274-E276 VanDerWaalsContact C-N 3.34Å; L274-E276 PolarHBondContact O-N 2.92Å; L274-Q277 PolarHBondContact O-N 3.08Å
275F94.6Very high94.2Very high23 Ų2356.2 Ų56.210%0.10130%0.299CS..Hα-helixtrans-58.8-46176.6-72-4.1000111.7P132 V254 T267 E271 F272 Q277 L278 P279P132-F275 HydrophobicContact CB-CE2 3.76Å; P132-F275 HydrophobicContact CB-CZ 4.3Å; V254-F275 HydrophobicContact CG1-CB 4.34Å; V254-F275 WeakPolarHBondContact CG1-O 3.46Å; V254-F275 HydrophobicContact CG2-CB 3.89Å; V254-F275 HydrophobicContact CG2-CG 4.37Å; T267-F275 HydrophobicContact CG2-CD2 4.14Å; T267-F275 HydrophobicContact CG2-CE2 3.79Å; T267-F275 HydrophobicContact CG2-CZ 4.42Å; E271-F275 HydrophobicContact CG-CD1 4.42Å; E271-F275 HydrophobicContact CG-CE1 3.83Å; E271-F275 HydrophobicContact CG-CE2 4.25Å; E271-F275 HydrophobicContact CG-CZ 3.73Å; E271-F275 WeakPolarHBondContact O-CG 3.2Å; E271-F275 PolarHBondContact O-N 3.06Å; F272-F275 WeakPolarHBondContact O-CB 3.18Å; F272-F275 PolarHBondContact O-N 3.1Å; F272-F275 VanDerWaalsContact O-N 3.11Å; F275-Q277 PolarHBondContact O-N 3.44Å; F275-L278 HydrophobicContact CD1-CD1 4.01Å; F275-L278 WeakPolarHBondContact O-CB 3.1Å; F275-L278 PolarHBondContact O-N 3.08Å; F275-P279 WeakPolarHBondContact O-CD 3.35Å
276E92.6Very high94.6Very high51 Ų5154 Ų5424%0.23828%0.284CS..Hα-helixtrans-58.4-22.4179.9-72.7-167.412500114.1R50 T124 F272 L274R50-E276 WeakPolarHBondContact CD-OE1 3.49Å; R50-E276 WeakPolarHBondContact CD-OE2 3.32Å; R50-E276 IonicContact CZ-OE1 2.73Å; R50-E276 IonicContact NE-OE1 3.47Å; R50-E276 IonicContact NH1-OE1 3.87Å; R50-E276 PolarHBondContact NH1-OE1 3.41Å; T124-E276 HydrophobicContact CG2-CG 3.78Å; F272-E276 HydrophobicContact CD1-CG 3.95Å; F272-E276 HydrophobicContact CE1-CG 3.68Å; F272-E276 VanDerWaalsContact CE1-OE1 3.31Å; F272-E276 WeakPolarHBondContact CE1-OE1 3.39Å; F272-E276 HydrophobicContact CZ-CG 4.32Å; F272-E276 WeakPolarHBondContact O-CG 3.37Å; F272-E276 PolarHBondContact O-N 3.23Å; L274-E276 VanDerWaalsContact C-N 3.34Å; L274-E276 PolarHBondContact O-N 2.92Å
277Q94.3Very high95.1Very high109 Ų10948.6 Ų48.651%0.50925%0.251SS..Hα-helixtrans-85.4-21.1177.4-65172.516.700113.1K273 L274 F275 G280 Q281K273-Q277 WeakPolarHBondContact O-CG 3.46Å; L274-Q277 PolarHBondContact O-N 3.08Å; F275-Q277 PolarHBondContact O-N 3.44Å; Q277-G280 PolarHBondContact O-N 2.92Å; Q277-G280 VanDerWaalsContact O-N 3.11Å; Q277-Q281 PolarHBondContact O-N 3.14Å
278L96.6Very high95.5Very high16 Ų1651.4 Ų51.48%0.08426%0.261CS..Hα-helixtrans-59-44.1-174.1-64174.8000113.3G133 I135 C184 V254 F275 G280 Q281 L282G133-L278 WeakPolarHBondContact O-CD1 3.35Å; I135-L278 HydrophobicContact CD1-CB 4Å; I135-L278 WeakPolarHBondContact CD1-O 3.37Å; I135-L278 HydrophobicContact CG1-CB 4.15Å; C184-L278 HydrophobicContact CB-CD1 3.89Å; V254-L278 HydrophobicContact CG2-CD1 4.06Å; F275-L278 HydrophobicContact CD1-CD1 4.01Å; F275-L278 WeakPolarHBondContact O-CB 3.1Å; F275-L278 PolarHBondContact O-N 3.08Å; L278-G280 VanDerWaalsContact C-N 3.3Å; L278-G280 PolarHBondContact O-N 3.41Å; L278-Q281 PolarHBondContact O-N 3.2Å; L278-L282 PolarHBondContact O-N 2.92Å
279P97.6Very high95.7Very high2 Ų254.3 Ų54.31%0.01326%0.262CS..Hα-helixtrans-57.5-43.1174.3-27.738.1000112.6L122 V252 V254 F275 Q281 L282 V283L122-P279 HydrophobicContact CB-CB 4.33Å; L122-P279 HydrophobicContact CD2-CB 4.07Å; V252-P279 HydrophobicContact CB-CB 4.48Å; V252-P279 HydrophobicContact CG1-CB 3.92Å; V254-P279 HydrophobicContact CB-CG 3.88Å; V254-P279 HydrophobicContact CG1-CG 4.11Å; F275-P279 WeakPolarHBondContact O-CD 3.35Å; P279-Q281 PolarHBondContact O-N 2.92Å; P279-L282 PolarHBondContact O-N 3.28Å; P279-V283 WeakPolarHBondContact O-CB 3.48Å; P279-V283 WeakPolarHBondContact O-CG2 3.27Å; P279-V283 PolarHBondContact O-N 3.38Å
280G97.4Very high96Very high11 Ų1152.2 Ų52.211%0.11325%0.247CC..Hα-helixtrans-65.2-35.3178.300000113F54 Q277 L278 G284F54-G280 WeakPolarHBondContact CE2-O 3.31Å; Q277-G280 PolarHBondContact O-N 2.92Å; Q277-G280 VanDerWaalsContact O-N 3.11Å; L278-G280 VanDerWaalsContact C-N 3.3Å; L278-G280 PolarHBondContact O-N 3.41Å; G280-G284 WeakPolarHBondContact O-CA 3.18Å; G280-G284 PolarHBondContact O-N 2.89Å
281Q96.5Very high96.2Very high96 Ų9653 Ų5345%0.44925%0.251SS..Hα-helixtrans-62.6-46.7175.9-70.1177.46.300112Q277 L278 P279 E285Q277-Q281 PolarHBondContact O-N 3.14Å; L278-Q281 PolarHBondContact O-N 3.2Å; P279-Q281 PolarHBondContact O-N 2.92Å; Q281-E285 PolarHBondContact O-N 2.84Å
282L98.2Very high96.4Very high0 Ų048.9 Ų48.90%023%0.232CC..Hα-helixtrans-67.9-47.7178.117559.8000111.5I135 L137 L173 L176 L180 L182 V186 L278 P279 E285 Y286I135-L282 HydrophobicContact CD1-CB 4.26Å; I135-L282 HydrophobicContact CD1-CD2 4.26Å; I135-L282 HydrophobicContact CG2-CD2 4.41Å; L137-L282 HydrophobicContact CD2-CD2 4.2Å; L173-L282 HydrophobicContact CD2-CD1 4.25Å; L173-L282 HydrophobicContact CD2-CD2 4.27Å; L173-L282 HydrophobicContact CD2-CG 3.85Å; L176-L282 HydrophobicContact CB-CD1 4.47Å; L176-L282 HydrophobicContact CD2-CD1 4.17Å; L176-L282 HydrophobicContact CG-CD1 4.14Å; L180-L282 HydrophobicContact CD1-CD1 3.92Å; L182-L282 HydrophobicContact CD1-CB 4.39Å; L182-L282 HydrophobicContact CD1-CD1 4.32Å; V186-L282 HydrophobicContact CG1-CD2 4.28Å; V186-L282 HydrophobicContact CG2-CD2 4.43Å; L278-L282 PolarHBondContact O-N 2.92Å; P279-L282 PolarHBondContact O-N 3.28Å; L282-E285 PolarHBondContact O-N 3.22Å; L282-Y286 PolarHBondContact O-N 3.45Å; L282-Y286 VanDerWaalsContact O-N 3.12Å
283V98.6Very high96.7Very high0 Ų046.5 Ų46.50%022%0.221CC..Hα-helixtrans-69.9-35.2-177.6171.60000111.8F54 I120 L122 L173 V252 P279 E285 Y286 L287F54-V283 HydrophobicContact CZ-CB 4.47Å; F54-V283 HydrophobicContact CZ-CG1 4.16Å; I120-V283 HydrophobicContact CD1-CG1 3.91Å; I120-V283 HydrophobicContact CG2-CG1 3.92Å; I120-V283 HydrophobicContact CG2-CG2 3.92Å; L122-V283 HydrophobicContact CD2-CB 3.84Å; L122-V283 HydrophobicContact CD2-CG1 4.09Å; L122-V283 HydrophobicContact CD2-CG2 3.58Å; L173-V283 HydrophobicContact CD2-CG2 4.31Å; V252-V283 HydrophobicContact CB-CG2 4.1Å; V252-V283 HydrophobicContact CG1-CG2 4.07Å; V252-V283 HydrophobicContact CG2-CG2 3.76Å; P279-V283 WeakPolarHBondContact O-CB 3.48Å; P279-V283 WeakPolarHBondContact O-CG2 3.27Å; P279-V283 PolarHBondContact O-N 3.38Å; V283-E285 VanDerWaalsContact C-N 3.32Å; V283-E285 PolarHBondContact O-N 2.86Å; V283-Y286 WeakPolarHBondContact O-CB 3.21Å; V283-Y286 PolarHBondContact O-N 2.8Å; V283-Y286 VanDerWaalsContact O-N 3.13Å; V283-L287 HydrophobicContact CG1-CD1 3.83Å; V283-L287 HydrophobicContact CG1-CG 4.02Å; V283-L287 WeakPolarHBondContact O-CB 3.35Å; V283-L287 VanDerWaalsContact O-CG 3.27Å; V283-L287 WeakPolarHBondContact O-CG 3.29Å; V283-L287 PolarHBondContact O-N 3.4Å
284G98.3Very high96.9Very high3 Ų345.4 Ų45.43%0.03122%0.22CC..Hα-helixtrans-60.3-42.317700000112.3M58 G280 L287 K288M58-G284 WeakPolarHBondContact SD-CA 3.44Å; G280-G284 WeakPolarHBondContact O-CA 3.18Å; G280-G284 PolarHBondContact O-N 2.89Å; G284-L287 PolarHBondContact O-N 3.06Å; G284-K288 WeakPolarHBondContact O-CB 3.42Å; G284-K288 PolarHBondContact O-N 3.26Å
285E97.9Very high96.9Very high44 Ų4444.6 Ų44.621%0.20622%0.219CC..Hα-helixtrans-68.6-36.6174.1-173.864.4-168.600112.1L176 L180 Q281 L282 V283 K288 R289L176-E285 HydrophobicContact CD1-CG 4.1Å; L176-E285 HydrophobicContact CD2-CB 4.29Å; L176-E285 HydrophobicContact CD2-CG 4.24Å; L180-E285 HydrophobicContact CD1-CB 4.11Å; L180-E285 HydrophobicContact CD1-CG 4.08Å; L180-E285 HydrophobicContact CD2-CG 3.95Å; Q281-E285 PolarHBondContact O-N 2.84Å; L282-E285 PolarHBondContact O-N 3.22Å; V283-E285 VanDerWaalsContact C-N 3.32Å; V283-E285 PolarHBondContact O-N 2.86Å; E285-K288 PolarHBondContact O-N 3.31Å; E285-R289 WeakPolarHBondContact O-CG 3.46Å; E285-R289 PolarHBondContact O-N 3.36Å; E285-R289 VanDerWaalsContact O-N 3.07Å; E285-R289 IonicContact OE1-CZ 3.83Å; E285-R289 IonicContact OE1-NE 2.87Å; E285-R289 PolarHBondContact OE1-NE 3.21Å; E285-R289 IonicContact OE1-NH2 3.24Å; E285-R289 PolarHBondContact OE1-NH2 3.29Å
286Y98.5Very high96.8Very high11 Ų1151.6 Ų51.64%0.04325%0.245CC..Hα-helixtrans-60.2-47.5173178.7-98.8000111.7F41 L118 I120 E172 L173 L176 L282 V283 K288 R289 N290F41-Y286 HydrophobicContact CE1-CE1 4.24Å; L118-Y286 HydrophobicContact CD2-CE1 4.07Å; I120-Y286 HydrophobicContact CD1-CD1 4.49Å; E172-Y286 HydrophobicContact CB-CE2 3.79Å; E172-Y286 WeakPolarHBondContact OE2-CE2 3.35Å; E172-Y286 PolarHBondContact OE2-OH 2.99Å; L173-Y286 HydrophobicContact CD2-CD1 4.44Å; L173-Y286 HydrophobicContact CD2-CD2 3.89Å; L173-Y286 HydrophobicContact CD2-CG 3.71Å; L173-Y286 HydrophobicContact CG-CD2 3.91Å; L173-Y286 HydrophobicContact CG-CE2 4.32Å; L173-Y286 HydrophobicContact CG-CG 4.09Å; L176-Y286 HydrophobicContact CD2-CD2 4.38Å; L282-Y286 PolarHBondContact O-N 3.45Å; L282-Y286 VanDerWaalsContact O-N 3.12Å; V283-Y286 WeakPolarHBondContact O-CB 3.21Å; V283-Y286 PolarHBondContact O-N 2.8Å; V283-Y286 VanDerWaalsContact O-N 3.13Å; Y286-K288 PolarHBondContact O-N 3.33Å; Y286-R289 PolarHBondContact O-N 3.31Å; Y286-N290 WeakPolarHBondContact CD2-ND2 3.4Å; Y286-N290 VanDerWaalsContact CE2-ND2 3.28Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.48Å; Y286-N290 WeakPolarHBondContact O-CB 3.39Å; Y286-N290 PolarHBondContact O-N 3.12Å; Y286-N290 PolarHBondContact O-ND2 3.27Å
287L98.6Very high97.1Very high0 Ų051.7 Ų51.70%025%0.245CC..Hα-helixtrans-63.5-41.3178.4-68.5171.8000111.3F41 F54 M58 I86 I120 V283 G284 R289 N290 N291 G292F41-L287 HydrophobicContact CB-CD2 3.74Å; F41-L287 HydrophobicContact CD1-CD2 3.5Å; F41-L287 VanDerWaalsContact CD1-CD2 3.5Å; F41-L287 HydrophobicContact CD2-CD2 3.8Å; F41-L287 HydrophobicContact CE1-CD2 4.01Å; F41-L287 HydrophobicContact CE2-CD2 4.27Å; F41-L287 HydrophobicContact CG-CD2 3.38Å; F41-L287 HydrophobicContact CZ-CD2 4.37Å; F54-L287 HydrophobicContact CE1-CD1 4.26Å; F54-L287 HydrophobicContact CZ-CD1 4.03Å; M58-L287 HydrophobicContact CE-CB 3.68Å; M58-L287 HydrophobicContact CE-CD1 4.01Å; M58-L287 HydrophobicContact SD-CD1 4.4Å; I86-L287 HydrophobicContact CD1-CB 4.16Å; I86-L287 HydrophobicContact CD1-CD1 3.84Å; I86-L287 HydrophobicContact CD1-CD2 4.47Å; I86-L287 HydrophobicContact CD1-CG 4.38Å; I86-L287 HydrophobicContact CG1-CD1 4.22Å; I86-L287 HydrophobicContact CG1-CD2 4.24Å; I86-L287 HydrophobicContact CG2-CD1 4.41Å; I120-L287 HydrophobicContact CD1-CD2 4.08Å; V283-L287 HydrophobicContact CG1-CD1 3.83Å; V283-L287 HydrophobicContact CG1-CG 4.02Å; V283-L287 WeakPolarHBondContact O-CB 3.35Å; V283-L287 VanDerWaalsContact O-CG 3.27Å; V283-L287 WeakPolarHBondContact O-CG 3.29Å; V283-L287 PolarHBondContact O-N 3.4Å; G284-L287 PolarHBondContact O-N 3.06Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.21Å; L287-N290 PolarHBondContact O-N 3.14Å; L287-N291 PolarHBondContact O-N 3.2Å; L287-G292 WeakPolarHBondContact O-CA 3.4Å; L287-G292 PolarHBondContact O-N 3.2Å
288K97.9Very high97.2Very high82 Ų8248.6 Ų48.636%0.35723%0.231SC..Hα-helixtrans-58.8-41.3174.8-177.1-179177.7-174.30112.4G284 E285 Y286 I293 V295G284-K288 WeakPolarHBondContact O-CB 3.42Å; G284-K288 PolarHBondContact O-N 3.26Å; E285-K288 PolarHBondContact O-N 3.31Å; Y286-K288 PolarHBondContact O-N 3.33Å; K288-I293 HydrophobicContact CB-CD1 4.1Å; K288-I293 HydrophobicContact CB-CG1 4.34Å; K288-I293 HydrophobicContact CG-CD1 4.12Å; K288-I293 HydrophobicContact CG-CG1 4.5Å; K288-V295 HydrophobicContact CG-CG2 4.11Å
289R96.9Very high97.2Very high128 Ų12850.4 Ų50.448%0.48324%0.239SC..Hα-helixtrans-80.2-18.5-178.9-67-179-171.2-160.35.9114.3L176 E285 Y286 L287L176-R289 VanDerWaalsContact CD1-NH1 3.29Å; E285-R289 WeakPolarHBondContact O-CG 3.46Å; E285-R289 PolarHBondContact O-N 3.36Å; E285-R289 VanDerWaalsContact O-N 3.07Å; E285-R289 IonicContact OE1-CZ 3.83Å; E285-R289 IonicContact OE1-NE 2.87Å; E285-R289 PolarHBondContact OE1-NE 3.21Å; E285-R289 IonicContact OE1-NH2 3.24Å; E285-R289 PolarHBondContact OE1-NH2 3.29Å; Y286-R289 PolarHBondContact O-N 3.31Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.21Å
290N97.9Very high97.2Very high58 Ų5853.3 Ų53.331%0.3125%0.253SS..THydrogen-bonded Turntrans-115.834.4-176.5-67.6-81.5000112.6F41 Y286 L287 G292F41-N290 WeakPolarHBondContact CE2-O 3.32Å; F41-N290 HydrophobicContact CZ-CB 4.18Å; F41-N290 VanDerWaalsContact CZ-O 3.32Å; F41-N290 WeakPolarHBondContact CZ-O 3.42Å; Y286-N290 WeakPolarHBondContact CD2-ND2 3.4Å; Y286-N290 VanDerWaalsContact CE2-ND2 3.28Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.48Å; Y286-N290 WeakPolarHBondContact O-CB 3.39Å; Y286-N290 PolarHBondContact O-N 3.12Å; Y286-N290 PolarHBondContact O-ND2 3.27Å; L287-N290 PolarHBondContact O-N 3.14Å; N290-G292 PolarHBondContact O-N 3.17Å; N290-G292 VanDerWaalsContact O-N 3.16Å
291N97.6Very high97.2Very high126 Ų12655.9 Ų55.967%0.67426%0.261SS*.THydrogen-bonded Turntrans56.233.7174.3-54.493.5000113.9H85 L287 I293H85-N291 PolarHBondContact CD2-O 3.32Å; H85-N291 VanDerWaalsContact CD2-O 3.29Å; L287-N291 PolarHBondContact O-N 3.2Å; N291-I293 VanDerWaalsContact C-N 3.34Å
292G98.1Very high97.2Very high0 Ų053.3 Ų53.30%025%0.249CC..SBendtrans-72.9-31.9167.600000112H85 I86 L287 N290H85-G292 PolarHBondContact N-O 2.9Å; H85-G292 VanDerWaalsContact N-O 3.1Å; I86-G292 WeakPolarHBondContact CD1-O 3.44Å; I86-G292 WeakPolarHBondContact CG1-O 3.47Å; L287-G292 WeakPolarHBondContact O-CA 3.4Å; L287-G292 PolarHBondContact O-N 3.2Å; N290-G292 PolarHBondContact O-N 3.17Å; N290-G292 VanDerWaalsContact O-N 3.16Å
293I98.1Very high97.2Very high6 Ų657.1 Ų57.13%0.03127%0.267CS..SBendtrans-124.6154.9175.155.1171.1000111.2M58 L61 A62 V83 I86 K288 N291 V295M58-I293 HydrophobicContact CE-CD1 4.08Å; M58-I293 HydrophobicContact CE-CG1 4.34Å; M58-I293 HydrophobicContact CE-CG2 3.75Å; L61-I293 HydrophobicContact CB-CD1 3.7Å; A62-I293 HydrophobicContact CB-CB 3.89Å; A62-I293 HydrophobicContact CB-CD1 4.25Å; A62-I293 HydrophobicContact CB-CG2 4.02Å; V83-I293 HydrophobicContact CG1-CG2 4.23Å; I86-I293 HydrophobicContact CD1-CG2 3.57Å; K288-I293 HydrophobicContact CB-CD1 4.1Å; K288-I293 HydrophobicContact CB-CG1 4.34Å; K288-I293 HydrophobicContact CG-CD1 4.12Å; K288-I293 HydrophobicContact CG-CG1 4.5Å; N291-I293 VanDerWaalsContact C-N 3.34Å; I293-V295 HydrophobicContact CD1-CG2 4.45Å
294I96.8Very high97.1Very high83 Ų8361.5 Ų61.543%0.42629%0.287SS..  trans-91.6112.5167.6-62165.1000106.4D84 R296D84-I294 PolarHBondContact OD2-N 3.32Å; I294-R296 HydrophobicContact CG2-CG 4.32Å; I294-R296 PolarHBondContact O-N 3.31Å; I294-R296 PolarHBondContact O-NH1 3.26Å
295V92.3Very high97Very high88 Ų8866.3 Ų66.353%0.53331%0.309SS..  trans-76.3108.5175.4-1770000107.9K288 I293K288-V295 HydrophobicContact CG-CG2 4.11Å; I293-V295 HydrophobicContact CD1-CG2 4.45Å
296R93.2Very high96.9Very high170 Ų17068.4 Ų68.464%0.64232%0.318SS*.  trans-88.60-178.8-64.7171.9-179.174.70.6111.9A62 L64 D84 I294A62-R296 WeakPolarHBondContact O-CD 3.42Å; A62-R296 WeakPolarHBondContact O-CG 3.24Å; A62-R296 PolarHBondContact O-NH1 2.9Å; L64-R296 VanDerWaalsContact CD2-CZ 3.45Å; D84-R296 IonicContact OD1-CZ 2.81Å; D84-R296 IonicContact OD1-NH1 2.64Å; D84-R296 PolarHBondContact OD1-NH1 2.99Å; D84-R296 IonicContact OD1-NH2 2.76Å; D84-R296 PolarHBondContact OD1-NH2 2.84Å; D84-R296 IonicContact OD2-CZ 3.69Å; D84-R296 IonicContact OD2-NH1 3.87Å; D84-R296 PolarHBondContact OD2-NH1 3.34Å; D84-R296 IonicContact OD2-NH2 2.86Å; I294-R296 HydrophobicContact CG2-CG 4.32Å; I294-R296 PolarHBondContact O-N 3.31Å; I294-R296 PolarHBondContact O-NH1 3.26Å

Retrieved 296 of 296 residues in 275.3 ms (Link to these results)

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