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Purine nucleoside phosphorylase

The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate.

AlphaFold DB , UniProt , Accession A0A5K4F3L4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 279 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
1M71.8Confident91Very high69 Ų6971 Ų7134%0.3431%0.311SS..  0-60.50-81.7-54.7-84.600118.2N3 V4 R5 E148 F149M1-N3 PolarHBondContact O-N 3.03Å; M1-V4 PolarHBondContact O-N 3.14Å; M1-R5 HydrophobicContact CE-CG 3.99Å; M1-R5 PolarHBondContact O-N 3.43Å; M1-R5 VanDerWaalsContact O-N 3.17Å; M1-E148 HydrophobicContact CE-CG 3.75Å; M1-E148 HydrophobicContact CG-CG 4.21Å; M1-E148 WeakPolarHBondContact CG-OE1 2.79Å; M1-E148 HydrophobicContact SD-CG 3.73Å; M1-F149 HydrophobicContact CE-CE2 4.44Å; M1-F149 HydrophobicContact SD-CD2 4.34Å; M1-F149 HydrophobicContact SD-CE2 3.37Å; M1-F149 WeakPolarHBondContact SD-CE2 3.39Å; M1-F149 HydrophobicContact SD-CZ 3.85Å
2R80.8Confident91.2Very high218 Ų21871.5 Ų71.582%0.82331%0.313SS*.Hα-helixtrans-53.6-34.9-171.2-65.5-175.7-152.9167.17.6112.9K6R2-K6 WeakPolarHBondContact O-CB 3.2Å; R2-K6 WeakPolarHBondContact O-CG 3.41Å; R2-K6 PolarHBondContact O-N 3.17Å
3N88.9Confident91.3Very high60 Ų6078.9 Ų78.932%0.32135%0.345SS..Hα-helixtrans-69-49177-159.835000113M1 R5 K6 V7 N49M1-N3 PolarHBondContact O-N 3.03Å; N3-R5 PolarHBondContact O-N 3.27Å; N3-K6 PolarHBondContact O-N 3.05Å; N3-V7 WeakPolarHBondContact O-CG2 3.48Å; N3-V7 PolarHBondContact O-N 3.24Å; N3-N49 WeakPolarHBondContact OD1-CB 3.48Å; N3-N49 PolarHBondContact OD1-ND2 3Å
4V94.6Very high91.2Very high9 Ų977.5 Ų77.56%0.05535%0.35CS..Hα-helixtrans-56.6-47.7-179.8-169.20000111.7M1 V7 A8 L92 R95 V96 L99 F149M1-V4 PolarHBondContact O-N 3.14Å; V4-V7 PolarHBondContact O-N 3.24Å; V4-A8 PolarHBondContact O-N 3.4Å; V4-L92 HydrophobicContact CB-CD1 4.14Å; V4-L92 HydrophobicContact CG1-CD1 4.41Å; V4-L92 HydrophobicContact CG2-CD1 3.77Å; V4-R95 HydrophobicContact CG1-CB 3.56Å; V4-R95 HydrophobicContact CG2-CB 4.2Å; V4-V96 HydrophobicContact CG1-CG2 3.85Å; V4-L99 HydrophobicContact CG1-CD1 3.76Å; V4-L99 HydrophobicContact CG1-CG 4.44Å; V4-F149 HydrophobicContact CG1-CZ 4.03Å
5R94.4Very high91.3Very high144 Ų14472.6 Ų72.654%0.54333%0.328SS..Hα-helixtrans-64.2-45178.7-73.8-172.5-179.6164.34.6111.9M1 N3 V7 A8 D9 L99M1-R5 HydrophobicContact CE-CG 3.99Å; M1-R5 PolarHBondContact O-N 3.43Å; M1-R5 VanDerWaalsContact O-N 3.17Å; N3-R5 PolarHBondContact O-N 3.27Å; R5-V7 VanDerWaalsContact C-N 3.27Å; R5-V7 PolarHBondContact O-N 3.12Å; R5-A8 PolarHBondContact O-N 3.05Å; R5-A8 VanDerWaalsContact O-N 3.16Å; R5-D9 WeakPolarHBondContact O-CB 3.15Å; R5-D9 PolarHBondContact O-N 3Å; R5-L99 HydrophobicContact CG-CD1 4.04Å
6K94.6Very high91Very high133 Ų13383.4 Ų83.458%0.57837%0.366SS*.Hα-helixtrans-56.9-41176.6-78.3178178.1-1700112.5R2 N3 H10R2-K6 WeakPolarHBondContact O-CB 3.2Å; R2-K6 WeakPolarHBondContact O-CG 3.41Å; R2-K6 PolarHBondContact O-N 3.17Å; N3-K6 PolarHBondContact O-N 3.05Å; K6-H10 WeakPolarHBondContact O-CB 3.43Å; K6-H10 PolarHBondContact O-N 3.46Å
7V96.1Very high91.2Very high1 Ų181.2 Ų81.21%0.00636%0.356CS..Hα-helixtrans-65.7-48.9176.1172.40000110.9N3 V4 R5 D9 H10 I11 I47 P48 F50 L92 V96N3-V7 WeakPolarHBondContact O-CG2 3.48Å; N3-V7 PolarHBondContact O-N 3.24Å; V4-V7 PolarHBondContact O-N 3.24Å; R5-V7 VanDerWaalsContact C-N 3.27Å; R5-V7 PolarHBondContact O-N 3.12Å; V7-D9 PolarHBondContact O-N 2.81Å; V7-H10 WeakPolarHBondContact O-CB 3.46Å; V7-H10 PolarHBondContact O-N 2.89Å; V7-I11 HydrophobicContact CG1-CD1 3.93Å; V7-I11 WeakPolarHBondContact O-CG1 3.37Å; V7-I11 PolarHBondContact O-N 3.23Å; V7-I47 HydrophobicContact CG1-CG2 3.73Å; V7-P48 WeakPolarHBondContact CG2-O 3.36Å; V7-F50 HydrophobicContact CG1-CD2 3.76Å; V7-F50 HydrophobicContact CG1-CE2 4.05Å; V7-L92 HydrophobicContact CG2-CD1 4.49Å; V7-L92 HydrophobicContact CG2-CD2 4.41Å; V7-V96 HydrophobicContact CB-CG2 3.85Å; V7-V96 HydrophobicContact CG1-CB 4.39Å; V7-V96 HydrophobicContact CG1-CG1 4Å; V7-V96 HydrophobicContact CG1-CG2 3.52Å
8A95.3Very high91.4Very high1 Ų184.9 Ų84.91%0.00837%0.372CS..Hα-helixtrans-60.2-44.9178.200000111.9V4 R5 H10 I11 F12 V96 L99V4-A8 PolarHBondContact O-N 3.4Å; R5-A8 PolarHBondContact O-N 3.05Å; R5-A8 VanDerWaalsContact O-N 3.16Å; A8-H10 VanDerWaalsContact C-N 3.31Å; A8-H10 PolarHBondContact O-N 3.15Å; A8-I11 PolarHBondContact O-N 3.37Å; A8-I11 VanDerWaalsContact O-N 3.15Å; A8-F12 HydrophobicContact CB-CE2 4.29Å; A8-F12 WeakPolarHBondContact O-CD2 3.38Å; A8-F12 WeakPolarHBondContact O-CG 3.45Å; A8-F12 PolarHBondContact O-N 3.36Å; A8-V96 HydrophobicContact CB-CG1 4.48Å; A8-L99 HydrophobicContact CB-CB 4.02Å; A8-L99 HydrophobicContact CB-CD1 4.02Å
9D94.4Very high91.7Very high92 Ų9280.5 Ų80.549%0.49235%0.352SS..Hα-helixtrans-62.6-36.7177.5-65.5-21.4000112.1R5 V7 K13R5-D9 WeakPolarHBondContact O-CB 3.15Å; R5-D9 PolarHBondContact O-N 3Å; V7-D9 PolarHBondContact O-N 2.81Å; D9-K13 WeakPolarHBondContact O-CG 3.4Å
10H95Very high92Very high54 Ų5478.5 Ų78.525%0.2534%0.344CS..Hα-helixtrans-64.2-45.5173.5-178.789.4000111.2K6 V7 A8 F12 K13 K46K6-H10 WeakPolarHBondContact O-CB 3.43Å; K6-H10 PolarHBondContact O-N 3.46Å; V7-H10 WeakPolarHBondContact O-CB 3.46Å; V7-H10 PolarHBondContact O-N 2.89Å; A8-H10 VanDerWaalsContact C-N 3.31Å; A8-H10 PolarHBondContact O-N 3.15Å; H10-F12 PolarHBondContact O-N 3.16Å; H10-K13 WeakPolarHBondContact O-CB 3.32Å; H10-K13 PolarHBondContact O-N 3.03Å; H10-K46 PolarHBondContact NE2-O 3.45Å
11I95.2Very high92.3Very high0 Ų074.7 Ų74.70%033%0.328CS..Hα-helixtrans-63.6-41.5178.4-68.9165.8000111.2V7 A8 K13 S14 V15 L62 F64 V96 L100V7-I11 HydrophobicContact CG1-CD1 3.93Å; V7-I11 WeakPolarHBondContact O-CG1 3.37Å; V7-I11 PolarHBondContact O-N 3.23Å; A8-I11 PolarHBondContact O-N 3.37Å; A8-I11 VanDerWaalsContact O-N 3.15Å; I11-K13 PolarHBondContact O-N 3.41Å; I11-K13 VanDerWaalsContact O-N 3.12Å; I11-S14 PolarHBondContact O-N 3.27Å; I11-V15 HydrophobicContact CG2-CB 4.44Å; I11-V15 HydrophobicContact CG2-CG2 4.05Å; I11-V15 PolarHBondContact O-N 3.3Å; I11-L62 HydrophobicContact CD1-CD2 3.67Å; I11-L62 HydrophobicContact CG1-CD2 4.4Å; I11-F64 HydrophobicContact CG2-CE1 4.03Å; I11-F64 HydrophobicContact CG2-CE2 3.93Å; I11-F64 HydrophobicContact CG2-CZ 3.37Å; I11-V96 HydrophobicContact CD1-CG1 3.62Å; I11-L100 HydrophobicContact CB-CD2 4.25Å; I11-L100 HydrophobicContact CD1-CD1 4.28Å; I11-L100 HydrophobicContact CG2-CD1 4.07Å; I11-L100 HydrophobicContact CG2-CD2 3.77Å
12F93Very high93.6Very high77 Ų7771.4 Ų71.434%0.33831%0.312SS..Hα-helixtrans-60.7-21.5178.7-77.2-50.8000114A8 H10 S14 L100A8-F12 HydrophobicContact CB-CE2 4.29Å; A8-F12 WeakPolarHBondContact O-CD2 3.38Å; A8-F12 WeakPolarHBondContact O-CG 3.45Å; A8-F12 PolarHBondContact O-N 3.36Å; H10-F12 PolarHBondContact O-N 3.16Å; F12-S14 VanDerWaalsContact C-N 3.33Å; F12-L100 HydrophobicContact CD1-CD2 3.98Å; F12-L100 HydrophobicContact CD2-CD2 4.44Å; F12-L100 HydrophobicContact CE1-CD2 3.6Å; F12-L100 HydrophobicContact CE2-CD2 4.11Å; F12-L100 HydrophobicContact CG-CD2 4.38Å; F12-L100 HydrophobicContact CZ-CD2 3.69Å
13K92.4Very high94.4Very high168 Ų16861 Ų6173%0.7327%0.272SS*.Hα-helixtrans-70.6-31.7173.9-66.5172.2-175.5-176.80112.4D9 H10 I11D9-K13 WeakPolarHBondContact O-CG 3.4Å; H10-K13 WeakPolarHBondContact O-CB 3.32Å; H10-K13 PolarHBondContact O-N 3.03Å; I11-K13 PolarHBondContact O-N 3.41Å; I11-K13 VanDerWaalsContact O-N 3.12Å
14S90.6Very high94.8Very high59 Ų5958.2 Ų58.241%0.41326%0.257SS..Hα-helixtrans-96.7-26.8-176.6-570000112.6I11 F12I11-S14 PolarHBondContact O-N 3.27Å; F12-S14 VanDerWaalsContact C-N 3.33Å
15V92.3Very high94.9Very high4 Ų457.8 Ų57.82%0.02426%0.255CS..  trans-116.9112.8-174.1-173.20000110.2I11 F17 I40 I42 F64I11-V15 HydrophobicContact CG2-CB 4.44Å; I11-V15 HydrophobicContact CG2-CG2 4.05Å; I11-V15 PolarHBondContact O-N 3.3Å; V15-F17 VanDerWaalsContact C-N 3.33Å; V15-F17 HydrophobicContact CG1-CD1 3.86Å; V15-F17 HydrophobicContact CG1-CD2 4.46Å; V15-F17 HydrophobicContact CG1-CE1 3.77Å; V15-F17 HydrophobicContact CG1-CE2 4.39Å; V15-F17 HydrophobicContact CG1-CG 4.23Å; V15-F17 HydrophobicContact CG1-CZ 4.06Å; V15-F17 PolarHBondContact O-N 2.71Å; V15-I40 HydrophobicContact CG2-CG2 4.4Å; V15-I42 HydrophobicContact CG2-CD1 4.17Å; V15-F64 HydrophobicContact CB-CD1 4.37Å; V15-F64 HydrophobicContact CB-CG 4.42Å; V15-F64 HydrophobicContact CG1-CB 4.11Å; V15-F64 HydrophobicContact CG1-CD1 3.71Å; V15-F64 HydrophobicContact CG1-CE1 4.3Å; V15-F64 HydrophobicContact CG1-CG 3.93Å; V15-F64 HydrophobicContact CG2-CB 4.19Å; V15-F64 HydrophobicContact CG2-CD1 3.95Å; V15-F64 HydrophobicContact CG2-CD2 3.54Å; V15-F64 HydrophobicContact CG2-CE1 4.19Å; V15-F64 HydrophobicContact CG2-CE2 3.82Å; V15-F64 HydrophobicContact CG2-CG 3.62Å; V15-F64 HydrophobicContact CG2-CZ 4.14Å
16R87.1Confident94.6Very high246 Ų24651.1 Ų51.193%0.92823%0.23SC*.  trans-90.515.7-175.9-62.7-172.1179.7-173.80.8114.6
17F93.8Very high94.1Very high46 Ų4645.5 Ų45.520%0.20221%0.208CC..SBendtrans-136.8160.9175.969.4-96.3000111V15 P19 F64 K71V15-F17 VanDerWaalsContact C-N 3.33Å; V15-F17 HydrophobicContact CG1-CD1 3.86Å; V15-F17 HydrophobicContact CG1-CD2 4.46Å; V15-F17 HydrophobicContact CG1-CE1 3.77Å; V15-F17 HydrophobicContact CG1-CE2 4.39Å; V15-F17 HydrophobicContact CG1-CG 4.23Å; V15-F17 HydrophobicContact CG1-CZ 4.06Å; V15-F17 PolarHBondContact O-N 2.71Å; F17-P19 HydrophobicContact CE2-CB 4.45Å; F17-F64 HydrophobicContact CE1-CB 4.29Å; F17-F64 HydrophobicContact CZ-CB 3.76Å; F17-K71 HydrophobicContact CB-CD 4.14Å; F17-K71 HydrophobicContact CD2-CB 3.85Å; F17-K71 HydrophobicContact CD2-CD 3.77Å; F17-K71 HydrophobicContact CD2-CG 3.84Å; F17-K71 HydrophobicContact CE2-CB 3.87Å; F17-K71 HydrophobicContact CE2-CG 4.16Å; F17-K71 HydrophobicContact CG-CD 4.24Å
18K95.5Very high93.4Very high147 Ų14746.2 Ų46.264%0.63922%0.216SC*.  trans-95.5118.2174.1-65.7-175.3179.4-179.30109.7K71 L100K18-K71 WeakPolarHBondContact O-CD 3.2Å; K18-L100 WeakPolarHBondContact CB-O 3.25Å
19P97.3Very high92.9Very high1 Ų146.3 Ų46.31%0.00622%0.216CC..  trans-67.6143.8170.430.4-35.2000110F17 F64 K71 V73 L100 G101 V102F17-P19 HydrophobicContact CE2-CB 4.45Å; P19-F64 HydrophobicContact CG-CD1 4.47Å; P19-F64 HydrophobicContact CG-CE1 4.27Å; P19-K71 CarbonylContact C-O 3.55Å; P19-K71 WeakPolarHBondContact CA-O 3.39Å; P19-V73 HydrophobicContact CB-CB 4Å; P19-V73 HydrophobicContact CB-CG1 3.87Å; P19-V73 HydrophobicContact CG-CB 4.04Å; P19-V73 HydrophobicContact CG-CG1 3.8Å; P19-L100 HydrophobicContact CG-CB 4Å; P19-G101 CarbonylContact O-C 3.5Å; P19-V102 HydrophobicContact CB-CG2 4.28Å; P19-V102 HydrophobicContact CG-CG2 4.01Å; P19-V102 PolarHBondContact O-N 2.85Å
20E96.9Very high92.3Very high40 Ų4042.4 Ų42.419%0.18720%0.198CC..SBendtrans-101.8-26.9176.173.6-156137.900111.9R70 K71 K103 I104E20-R70 VanDerWaalsContact CD-NH2 3.26Å; E20-R70 WeakPolarHBondContact OE1-CA 3.45Å; E20-R70 WeakPolarHBondContact OE1-CB 3.04Å; E20-R70 WeakPolarHBondContact OE1-CD 3.37Å; E20-R70 IonicContact OE1-CZ 3.29Å; E20-R70 IonicContact OE1-NE 3.16Å; E20-R70 PolarHBondContact OE1-NE 3.37Å; E20-R70 IonicContact OE1-NH2 3.8Å; E20-R70 IonicContact OE2-CZ 3.71Å; E20-R70 VanDerWaalsContact OE2-CZ 3.29Å; E20-R70 IonicContact OE2-NE 2.63Å; E20-R70 PolarHBondContact OE2-NE 3.46Å; E20-R70 VanDerWaalsContact OE2-NE 3.08Å; E20-R70 IonicContact OE2-NH2 2.69Å; E20-R70 PolarHBondContact OE2-NH2 2.92Å; E20-K71 PolarHBondContact N-O 2.99Å; E20-K71 PolarHBondContact OE1-N 3.26Å; E20-K103 PolarHBondContact O-N 2.9Å; E20-I104 PolarHBondContact O-N 3.21Å
21I98.5Very high91.9Very high0 Ų044 Ų440%020%0.204CC..EExtended strand (participates in β ladder)trans-119.5128.8179.1-63.1145.5000109.5I23 R70 K71 V72 V73 I104 M106 I273 L276I21-I23 HydrophobicContact CG2-CG1 3.96Å; I21-R70 HydrophobicContact CD1-CB 3.88Å; I21-R70 HydrophobicContact CD1-CG 4.32Å; I21-K71 PolarHBondContact N-O 3.21Å; I21-V72 HydrophobicContact CB-CG1 4.17Å; I21-V72 CarbonylContact O-C 3.18Å; I21-V72 VanDerWaalsContact O-CA 3.29Å; I21-V72 WeakPolarHBondContact O-CA 3.49Å; I21-V73 PolarHBondContact O-N 3.08Å; I21-I104 CarbonylContact C-O 3.56Å; I21-I104 VanDerWaalsContact CA-O 3.3Å; I21-I104 WeakPolarHBondContact CA-O 3.25Å; I21-I104 HydrophobicContact CG1-CB 4.16Å; I21-M106 HydrophobicContact CG2-CG 4.17Å; I21-M106 HydrophobicContact CG2-SD 4.08Å; I21-I273 HydrophobicContact CD1-CG1 4.25Å; I21-I273 HydrophobicContact CD1-CG2 3.83Å; I21-L276 HydrophobicContact CD1-CD1 3.77Å; I21-L276 HydrophobicContact CG1-CD1 4.28Å
22G98.4Very high91.3Very high0 Ų044.2 Ų44.20%021%0.205CC..EExtended strand (participates in β ladder)trans-96.2139.4166.500000109.8V73 V102 I104 L105 M106G22-V73 CarbonylContact C-O 3.46Å; G22-V73 WeakPolarHBondContact CA-O 3.4Å; G22-V102 VanDerWaalsContact N-CG1 3.3Å; G22-I104 PolarHBondContact N-O 3.35Å; G22-L105 CarbonylContact O-C 3.57Å; G22-L105 WeakPolarHBondContact O-CA 3.41Å; G22-M106 PolarHBondContact O-N 3.07Å
23I98.4Very high91.2Very high0 Ų040.5 Ų40.50%019%0.189CC..EExtended strand (participates in β ladder)trans-126.2133.3176.9-55.8-179.3000108.4I21 L32 L67 V72 V73 V74 M75 M106 F269 I273I21-I23 HydrophobicContact CG2-CG1 3.96Å; I23-L32 HydrophobicContact CG2-CD2 3.35Å; I23-L32 HydrophobicContact CG2-CG 4.12Å; I23-L67 HydrophobicContact CD1-CD2 3.8Å; I23-V72 HydrophobicContact CD1-CG1 4.44Å; I23-V73 PolarHBondContact N-O 2.8Å; I23-V74 HydrophobicContact CB-CB 4.37Å; I23-V74 HydrophobicContact CB-CG1 4.12Å; I23-V74 HydrophobicContact CB-CG2 4.06Å; I23-V74 HydrophobicContact CD1-CG2 4.19Å; I23-V74 HydrophobicContact CG1-CG2 4.45Å; I23-V74 HydrophobicContact CG2-CG1 4.14Å; I23-V74 CarbonylContact O-C 3.52Å; I23-V74 WeakPolarHBondContact O-CA 3.27Å; I23-M75 PolarHBondContact O-N 3.43Å; I23-M106 CarbonylContact C-O 3.54Å; I23-M106 VanDerWaalsContact CA-O 3.25Å; I23-M106 WeakPolarHBondContact CA-O 3.28Å; I23-M106 HydrophobicContact CG1-CB 4.42Å; I23-F269 HydrophobicContact CG2-CD1 4.32Å; I23-F269 HydrophobicContact CG2-CE1 4.28Å; I23-I273 HydrophobicContact CD1-CD1 3.95Å
24I97.8Very high91.2Very high0 Ų036.8 Ų36.80%018%0.177CC..EExtended strand (participates in β ladder)trans-119.3114.9174.6-47.7178.2000109.5M75 R78 I94 L105 M106 V107 S108 E218I24-M75 HydrophobicContact CB-CB 4.49Å; I24-M75 HydrophobicContact CD1-SD 4.44Å; I24-M75 HydrophobicContact CG1-CB 4.43Å; I24-M75 HydrophobicContact CG1-SD 4.23Å; I24-M75 HydrophobicContact CG2-CB 4.17Å; I24-R78 HydrophobicContact CG2-CB 3.89Å; I24-R78 VanDerWaalsContact CG2-NH2 3.28Å; I24-R78 PolarHBondContact O-NH2 2.92Å; I24-I94 HydrophobicContact CD1-CD1 3.56Å; I24-L105 HydrophobicContact CD1-CD1 4.07Å; I24-L105 HydrophobicContact CD1-CD2 4.17Å; I24-L105 HydrophobicContact CD1-CG 4.47Å; I24-L105 HydrophobicContact CG1-CD1 4.01Å; I24-M106 PolarHBondContact N-O 2.84Å; I24-V107 HydrophobicContact CB-CG1 4.3Å; I24-V107 HydrophobicContact CD1-CG2 4.15Å; I24-V107 HydrophobicContact CG1-CG2 4.47Å; I24-S108 PolarHBondContact O-N 3.07Å; I24-S108 PolarHBondContact O-OG 3.35Å; I24-E218 HydrophobicContact CD1-CB 4.02Å; I24-E218 HydrophobicContact CD1-CG 3.98Å
25C94.9Very high91.2Very high1 Ų134.7 Ų34.71%0.00717%0.165CC..EExtended strand (participates in β ladder)trans-84.3125.5175-51.50000110.1V74 M75 G77C25-V74 VanDerWaalsContact SG-CG1 3.56Å; C25-M75 PolarHBondContact N-O 3.43Å; C25-G77 WeakPolarHBondContact O-CA 3.3Å; C25-G77 PolarHBondContact O-N 3.15Å
26G89Confident91.4Very high3 Ų334.8 Ų34.83%0.03117%0.165CC..  trans-82.2-174.1167.900000113.3G28 L29 S108G26-G28 PolarHBondContact O-N 3.38Å; G26-L29 PolarHBondContact O-N 2.98Å; G26-L29 VanDerWaalsContact O-N 3.1Å; G26-S108 WeakPolarHBondContact CA-O 3.43Å; G26-S108 PolarHBondContact N-O 2.77Å
27S84.1Confident91.8Very high15 Ų1529.9 Ų29.911%0.10515%0.151CC..THydrogen-bonded Turntrans-52.7128178-54.10000112.4L29S27-L29 PolarHBondContact O-N 3.31Å
28G80.8Confident91.9Very high17 Ų1734.1 Ų34.118%0.17518%0.175CC..THydrogen-bonded Turntrans76.7-5.3179.300000115.4G26 G258G26-G28 PolarHBondContact O-N 3.38Å; G28-G258 CarbonylContact O-C 3.56Å
29L84.9Confident91.9Very high2 Ų231.2 Ų31.21%0.0116%0.163CC..  trans-105.914-174.8-59.6171.4000113G26 S27 K31 L32 S108 L234 M265G26-L29 PolarHBondContact O-N 2.98Å; G26-L29 VanDerWaalsContact O-N 3.1Å; S27-L29 PolarHBondContact O-N 3.31Å; L29-K31 PolarHBondContact O-N 3.45Å; L29-L32 WeakPolarHBondContact O-CB 3.31Å; L29-L32 PolarHBondContact O-N 2.77Å; L29-L32 VanDerWaalsContact O-N 3.14Å; L29-S108 WeakPolarHBondContact CD1-OG 3.3Å; L29-L234 HydrophobicContact CD2-CD2 3.91Å; L29-M265 HydrophobicContact CB-SD 4.41Å; L29-M265 HydrophobicContact CD1-CE 3.62Å; L29-M265 HydrophobicContact CD1-SD 3.74Å; L29-M265 HydrophobicContact CD2-CE 3.75Å; L29-M265 HydrophobicContact CD2-SD 3.76Å; L29-M265 HydrophobicContact CG-CE 4.31Å; L29-M265 HydrophobicContact CG-SD 4.17Å
30G83.3Confident91.9Very high11 Ų1134 Ų3411%0.11318%0.177CC..G310 helixtrans-60.3-25.6-178.200000114.4L32 A33 Q76G30-L32 PolarHBondContact O-N 3.49Å; G30-A33 WeakPolarHBondContact O-CB 3.46Å; G30-A33 PolarHBondContact O-N 3.42Å; G30-A33 VanDerWaalsContact O-N 3.16Å; G30-Q76 PolarHBondContact O-NE2 2.93Å
31K85.2Confident91.9Very high88 Ų8835.4 Ų35.438%0.38319%0.189SC..G310 helixtrans-65.7-14.8176.8-64.2-174.5171.6-176.90113.7L29 A33 D34 A262L29-K31 PolarHBondContact O-N 3.45Å; K31-A33 PolarHBondContact O-N 2.64Å; K31-A33 VanDerWaalsContact O-N 3.1Å; K31-D34 WeakPolarHBondContact CA-OD2 3.45Å; K31-D34 WeakPolarHBondContact O-CB 3.45Å; K31-D34 PolarHBondContact O-N 3.15Å; K31-A262 HydrophobicContact CB-CB 3.97Å; K31-A262 HydrophobicContact CD-CB 3.98Å; K31-A262 HydrophobicContact CG-CB 4.31Å
32L82.9Confident91.8Very high3 Ų336 Ų362%0.01619%0.192CC..G310 helixtrans-55.6-28.4170.5177.262.7000112I23 L29 G30 D34 Q266 F269I23-L32 HydrophobicContact CG2-CD2 3.35Å; I23-L32 HydrophobicContact CG2-CG 4.12Å; L29-L32 WeakPolarHBondContact O-CB 3.31Å; L29-L32 PolarHBondContact O-N 2.77Å; L29-L32 VanDerWaalsContact O-N 3.14Å; G30-L32 PolarHBondContact O-N 3.49Å; L32-D34 PolarHBondContact O-N 3.49Å; L32-Q266 HydrophobicContact CD1-CB 4.16Å; L32-Q266 HydrophobicContact CD1-CG 4.24Å; L32-F269 HydrophobicContact CD1-CB 3.69Å; L32-F269 HydrophobicContact CD1-CD1 3.91Å; L32-F269 HydrophobicContact CD1-CG 3.89Å; L32-F269 HydrophobicContact CD2-CD1 3.65Å; L32-F269 HydrophobicContact CD2-CE1 3.79Å; L32-F269 HydrophobicContact CD2-CG 4.33Å; L32-F269 HydrophobicContact CG-CD1 4.4Å
33A90.6Very high91.7Very high0 Ų038.2 Ų38.20%021%0.206CC..G310 helixtrans-74.3-11.3174.900000113.9G30 K31 V36 K39 I63 V74G30-A33 WeakPolarHBondContact O-CB 3.46Å; G30-A33 PolarHBondContact O-N 3.42Å; G30-A33 VanDerWaalsContact O-N 3.16Å; K31-A33 PolarHBondContact O-N 2.64Å; K31-A33 VanDerWaalsContact O-N 3.1Å; A33-V36 PolarHBondContact O-N 2.93Å; A33-K39 WeakPolarHBondContact O-CE 3.49Å; A33-K39 PolarHBondContact O-NZ 2.93Å; A33-I63 HydrophobicContact CB-CD1 3.57Å; A33-V74 HydrophobicContact CB-CG1 4.03Å
34D92Very high91.6Very high90 Ų9038.2 Ų38.248%0.48121%0.206SC..THydrogen-bonded Turntrans-70.3-33.6-175.9-67.5-20.9000112K31 L32 V36 K39K31-D34 WeakPolarHBondContact CA-OD2 3.45Å; K31-D34 WeakPolarHBondContact O-CB 3.45Å; K31-D34 PolarHBondContact O-N 3.15Å; L32-D34 PolarHBondContact O-N 3.49Å; D34-V36 VanDerWaalsContact C-N 3.27Å; D34-V36 PolarHBondContact O-N 2.98Å; D34-K39 VanDerWaalsContact CA-NZ 3.26Å; D34-K39 PolarHBondContact O-NZ 3.3Å
35G91.7Very high91.5Very high15 Ų1543 Ų4316%0.15524%0.235CC..THydrogen-bonded Turntrans-72.1-12.3177.900000115.8K37 L67 E270G35-K37 PolarHBondContact O-N 3.01Å; G35-L67 VanDerWaalsContact C-CD1 3.44Å; G35-L67 VanDerWaalsContact O-CD1 3.31Å; G35-L67 WeakPolarHBondContact O-CD1 3.42Å; G35-E270 WeakPolarHBondContact CA-OE1 3.49Å
36V96.4Very high91.5Very high5 Ų550 Ų503%0.0327%0.266CS..  trans-66.4129.4179-177.60000109.7A33 D34 K39 I63 T66 V72 V74A33-V36 PolarHBondContact O-N 2.93Å; D34-V36 VanDerWaalsContact C-N 3.27Å; D34-V36 PolarHBondContact O-N 2.98Å; V36-K39 HydrophobicContact CB-CD 4.39Å; V36-K39 HydrophobicContact CB-CG 4.07Å; V36-K39 HydrophobicContact CG1-CG 3.99Å; V36-K39 WeakPolarHBondContact O-CE 3.37Å; V36-K39 VanDerWaalsContact O-CG 3.3Å; V36-K39 WeakPolarHBondContact O-CG 3.43Å; V36-I63 HydrophobicContact CB-CG2 4.5Å; V36-I63 HydrophobicContact CG1-CG2 4.33Å; V36-T66 CarbonylContact C-O 3.55Å; V36-T66 WeakPolarHBondContact CA-O 3.33Å; V36-V72 HydrophobicContact CG1-CG2 4.05Å; V36-V72 HydrophobicContact CG2-CG2 4.04Å; V36-V74 HydrophobicContact CG2-CG2 3.77Å
37K96.2Very high91.8Very high144 Ų14450 Ų5063%0.62627%0.265SS*.EExtended strand (participates in β ladder)trans-96.1157.1175.1-59.7-177.5-177.7179.30110.6G35 K39 G65 T66G35-K37 PolarHBondContact O-N 3.01Å; K37-K39 VanDerWaalsContact C-N 3.33Å; K37-K39 PolarHBondContact O-N 3.44Å; K37-G65 CarbonylContact O-C 3.49Å; K37-G65 VanDerWaalsContact O-CA 3.27Å; K37-G65 WeakPolarHBondContact O-CA 3.49Å; K37-T66 PolarHBondContact N-O 3.04Å; K37-T66 PolarHBondContact O-N 3.17Å
38D95.2Very high92.3Very high134 Ų13452.5 Ų52.572%0.71728%0.281SS*.EExtended strand (participates in β ladder)trans54.145.9178.5-49.2-49.7000113.3I40D38-I40 PolarHBondContact O-N 2.97Å
39K95.4Very high92.8Very high86 Ų8656.7 Ų56.737%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-64.6131.1-169.2-61.4-175.7-165.3-178.50112.6A33 D34 V36 K37 I63 F64A33-K39 WeakPolarHBondContact O-CE 3.49Å; A33-K39 PolarHBondContact O-NZ 2.93Å; D34-K39 VanDerWaalsContact CA-NZ 3.26Å; D34-K39 PolarHBondContact O-NZ 3.3Å; V36-K39 HydrophobicContact CB-CD 4.39Å; V36-K39 HydrophobicContact CB-CG 4.07Å; V36-K39 HydrophobicContact CG1-CG 3.99Å; V36-K39 WeakPolarHBondContact O-CE 3.37Å; V36-K39 VanDerWaalsContact O-CG 3.3Å; V36-K39 WeakPolarHBondContact O-CG 3.43Å; K37-K39 VanDerWaalsContact C-N 3.33Å; K37-K39 PolarHBondContact O-N 3.44Å; K39-I63 HydrophobicContact CB-CG2 4.23Å; K39-I63 HydrophobicContact CD-CG2 4.07Å; K39-I63 HydrophobicContact CG-CG2 4.08Å; K39-F64 CarbonylContact C-O 3.55Å; K39-F64 VanDerWaalsContact CA-O 3.25Å; K39-F64 WeakPolarHBondContact CA-O 3.42Å
40I96.6Very high93.2Very high60 Ų6057.2 Ų57.231%0.30830%0.301SS..EExtended strand (participates in β ladder)trans-109.9105.4158.3-56170.7000106.7V15 D38 I42 F64V15-I40 HydrophobicContact CG2-CG2 4.4Å; D38-I40 PolarHBondContact O-N 2.97Å; I40-I42 HydrophobicContact CG2-CG1 4.29Å; I40-F64 HydrophobicContact CB-CB 4.28Å; I40-F64 PolarHBondContact N-O 3.46Å; I40-F64 PolarHBondContact O-N 3.37Å
41T96.6Very high93.7Very high70 Ų7057.1 Ų57.143%0.42930%0.299SS..EExtended strand (participates in β ladder)trans-96.8121.3-179.9-59.60000110.2N61 I63T41-N61 HydrophobicContact CG2-CB 3.99Å; T41-I63 HydrophobicContact CG2-CG1 4.03Å
42I96.6Very high94Very high13 Ų1356.1 Ų56.17%0.06730%0.295CS..EExtended strand (participates in β ladder)trans-116.9108.7176.3-48.2178.7000108V15 I40 K46 I47 L62 F64V15-I42 HydrophobicContact CG2-CD1 4.17Å; I40-I42 HydrophobicContact CG2-CG1 4.29Å; I42-K46 HydrophobicContact CG2-CB 4.39Å; I42-I47 HydrophobicContact CB-CD1 4.46Å; I42-I47 HydrophobicContact CG2-CD1 3.98Å; I42-I47 HydrophobicContact CG2-CG1 3.56Å; I42-L62 PolarHBondContact N-O 3.14Å; I42-L62 PolarHBondContact O-N 2.84Å; I42-F64 HydrophobicContact CD1-CD2 4.32Å; I42-F64 HydrophobicContact CD1-CE2 4Å
43P96.7Very high94.3Very high46 Ų4657.5 Ų57.530%0.29930%0.304SS..EExtended strand (participates in β ladder)trans-58.3141.5173.6-23.533.7000110.9T45 K46P43-T45 PolarHBondContact O-N 3.28Å; P43-T45 VanDerWaalsContact O-N 3.14Å; P43-K46 HydrophobicContact CB-CG 4.16Å; P43-K46 HydrophobicContact CG-CG 4.21Å; P43-K46 WeakPolarHBondContact O-CB 3.4Å; P43-K46 PolarHBondContact O-N 2.91Å
44Y96.4Very high94.3Very high0 Ų062 Ų620%034%0.336CS..G310 helixtrans-55.3-33.9177.7-67.2-10.7000111.7K46 I47 F50 Q52 G60 N61 L62 M75 G77 F79Y44-K46 PolarHBondContact O-N 3.2Å; Y44-I47 PolarHBondContact O-N 2.87Å; Y44-I47 VanDerWaalsContact O-N 3.15Å; Y44-F50 AromaticContact CD1-CD1 3.81Å; Y44-F50 HydrophobicContact CD1-CD1 3.81Å; Y44-F50 AromaticContact CD1-CE1 3.54Å; Y44-F50 HydrophobicContact CD1-CE1 3.54Å; Y44-F50 HydrophobicContact CD2-CD1 4.4Å; Y44-F50 HydrophobicContact CD2-CE1 4.3Å; Y44-F50 HydrophobicContact CE1-CD1 4.45Å; Y44-F50 AromaticContact CE1-CE1 3.74Å; Y44-F50 HydrophobicContact CE1-CE1 3.74Å; Y44-F50 HydrophobicContact CE2-CE1 4.48Å; Y44-F50 AromaticContact CG-CD1 3.78Å; Y44-F50 HydrophobicContact CG-CD1 3.78Å; Y44-F50 AromaticContact CG-CE1 3.86Å; Y44-F50 HydrophobicContact CG-CE1 3.86Å; Y44-Q52 PolarHBondContact O-NE2 3.25Å; Y44-Q52 VanDerWaalsContact O-NE2 3.11Å; Y44-G60 WeakPolarHBondContact CB-O 3.35Å; Y44-G60 VanDerWaalsContact CD2-CA 3.41Å; Y44-G60 VanDerWaalsContact CG-C 3.5Å; Y44-G60 VanDerWaalsContact CG-O 3.22Å; Y44-G60 PolarHBondContact N-O 3.18Å; Y44-N61 WeakPolarHBondContact CE1-O 3.27Å; Y44-N61 PolarHBondContact OH-O 3.3Å; Y44-L62 HydrophobicContact CD1-CB 4.24Å; Y44-L62 HydrophobicContact CE1-CB 3.93Å; Y44-M75 WeakPolarHBondContact OH-CA 3.31Å; Y44-M75 VanDerWaalsContact OH-CB 3.31Å; Y44-M75 WeakPolarHBondContact OH-CB 3.2Å; Y44-G77 PolarHBondContact OH-O 3.33Å; Y44-F79 AromaticContact CD2-CE1 3.88Å; Y44-F79 HydrophobicContact CD2-CE1 3.88Å; Y44-F79 AromaticContact CD2-CZ 3.59Å; Y44-F79 HydrophobicContact CD2-CZ 3.59Å; Y44-F79 AromaticContact CE2-CE1 3.94Å; Y44-F79 HydrophobicContact CE2-CE1 3.94Å; Y44-F79 HydrophobicContact CE2-CE2 4.38Å; Y44-F79 AromaticContact CE2-CZ 3.47Å; Y44-F79 HydrophobicContact CE2-CZ 3.47Å; Y44-F79 VanDerWaalsContact CE2-CZ 3.47Å; Y44-F79 HydrophobicContact CG-CZ 4.4Å
45T96Very high94.1Very high101 Ų10158.6 Ų58.662%0.6232%0.318SS*.G310 helixtrans-64-18.317655.60000114.1P43P43-T45 PolarHBondContact O-N 3.28Å; P43-T45 VanDerWaalsContact O-N 3.14Å
46K95.5Very high93.9Very high147 Ų14762.6 Ų62.664%0.63934%0.339SS*.G310 helixtrans-95.2-6.5178.1-61.6-61-176.9-176.90113.1H10 I42 P43 Y44H10-K46 PolarHBondContact NE2-O 3.45Å; I42-K46 HydrophobicContact CG2-CB 4.39Å; P43-K46 HydrophobicContact CB-CG 4.16Å; P43-K46 HydrophobicContact CG-CG 4.21Å; P43-K46 WeakPolarHBondContact O-CB 3.4Å; P43-K46 PolarHBondContact O-N 2.91Å; Y44-K46 PolarHBondContact O-N 3.2Å
47I95.5Very high93.3Very high4 Ų464 Ų642%0.02136%0.355CS..SBendtrans-97.3115.6178.8-53.7174.5000108.4V7 I42 Y44 N49 F50 L62V7-I47 HydrophobicContact CG1-CG2 3.73Å; I42-I47 HydrophobicContact CB-CD1 4.46Å; I42-I47 HydrophobicContact CG2-CD1 3.98Å; I42-I47 HydrophobicContact CG2-CG1 3.56Å; Y44-I47 PolarHBondContact O-N 2.87Å; Y44-I47 VanDerWaalsContact O-N 3.15Å; I47-N49 PolarHBondContact O-N 3.28Å; I47-F50 HydrophobicContact CB-CB 3.63Å; I47-F50 HydrophobicContact CB-CD2 4.39Å; I47-F50 HydrophobicContact CB-CG 4.04Å; I47-F50 HydrophobicContact CD1-CD1 4.43Å; I47-F50 HydrophobicContact CD1-CD2 4.47Å; I47-F50 HydrophobicContact CD1-CG 4.32Å; I47-F50 HydrophobicContact CG2-CB 3.73Å; I47-F50 HydrophobicContact CG2-CD2 3.82Å; I47-F50 HydrophobicContact CG2-CG 3.97Å; I47-F50 VanDerWaalsContact O-CB 3.31Å; I47-F50 WeakPolarHBondContact O-CB 3.45Å; I47-F50 PolarHBondContact O-N 3.47Å; I47-F50 VanDerWaalsContact O-N 3.17Å; I47-L62 HydrophobicContact CD1-CB 4.08Å; I47-L62 HydrophobicContact CD1-CD2 3.87Å
48P93.1Very high93Very high66 Ų6657.9 Ų57.943%0.42933%0.329SS..THydrogen-bonded Turntrans-57.3133.2-178.4-25.634.5000112.4V7 F50V7-P48 WeakPolarHBondContact CG2-O 3.36Å; P48-F50 PolarHBondContact O-N 3.29Å; P48-F50 VanDerWaalsContact O-N 3.15Å
49N91.2Very high92.8Very high106 Ų10654.9 Ų54.957%0.56732%0.318SS*.THydrogen-bonded Turntrans58.117.9-179.4-50.6-34.1000115.3N3 I47N3-N49 WeakPolarHBondContact OD1-CB 3.48Å; N3-N49 PolarHBondContact OD1-ND2 3Å; I47-N49 PolarHBondContact O-N 3.28Å
50F94.9Very high92.7Very high13 Ų1351.3 Ų51.36%0.05731%0.305CS..  trans-82.3137.9172.5-149.2-102.5000109.7V7 Y44 I47 P48 Q52 F79 L92 P93V7-F50 HydrophobicContact CG1-CD2 3.76Å; V7-F50 HydrophobicContact CG1-CE2 4.05Å; Y44-F50 AromaticContact CD1-CD1 3.81Å; Y44-F50 HydrophobicContact CD1-CD1 3.81Å; Y44-F50 AromaticContact CD1-CE1 3.54Å; Y44-F50 HydrophobicContact CD1-CE1 3.54Å; Y44-F50 HydrophobicContact CD2-CD1 4.4Å; Y44-F50 HydrophobicContact CD2-CE1 4.3Å; Y44-F50 HydrophobicContact CE1-CD1 4.45Å; Y44-F50 AromaticContact CE1-CE1 3.74Å; Y44-F50 HydrophobicContact CE1-CE1 3.74Å; Y44-F50 HydrophobicContact CE2-CE1 4.48Å; Y44-F50 AromaticContact CG-CD1 3.78Å; Y44-F50 HydrophobicContact CG-CD1 3.78Å; Y44-F50 AromaticContact CG-CE1 3.86Å; Y44-F50 HydrophobicContact CG-CE1 3.86Å; I47-F50 HydrophobicContact CB-CB 3.63Å; I47-F50 HydrophobicContact CB-CD2 4.39Å; I47-F50 HydrophobicContact CB-CG 4.04Å; I47-F50 HydrophobicContact CD1-CD1 4.43Å; I47-F50 HydrophobicContact CD1-CD2 4.47Å; I47-F50 HydrophobicContact CD1-CG 4.32Å; I47-F50 HydrophobicContact CG2-CB 3.73Å; I47-F50 HydrophobicContact CG2-CD2 3.82Å; I47-F50 HydrophobicContact CG2-CG 3.97Å; I47-F50 VanDerWaalsContact O-CB 3.31Å; I47-F50 WeakPolarHBondContact O-CB 3.45Å; I47-F50 PolarHBondContact O-N 3.47Å; I47-F50 VanDerWaalsContact O-N 3.17Å; P48-F50 PolarHBondContact O-N 3.29Å; P48-F50 VanDerWaalsContact O-N 3.15Å; F50-Q52 PolarHBondContact O-NE2 2.91Å; F50-F79 HydrophobicContact CD1-CZ 4.1Å; F50-F79 AromaticContact CE1-CE2 3.98Å; F50-F79 HydrophobicContact CE1-CE2 3.98Å; F50-F79 AromaticContact CE1-CZ 3.75Å; F50-F79 HydrophobicContact CE1-CZ 3.75Å; F50-L92 HydrophobicContact CD2-CD2 4.35Å; F50-P93 HydrophobicContact CE2-CB 4.41Å; F50-P93 HydrophobicContact CE2-CG 4.43Å; F50-P93 HydrophobicContact CZ-CB 3.93Å; F50-P93 HydrophobicContact CZ-CG 3.97Å
51P92.6Very high92.7Very high9 Ų950 Ų506%0.05830%0.299CS..  trans-62.6155175.921.8-29.8000111.8F79 Y85 T89P51-F79 VanDerWaalsContact C-CE1 3.48Å; P51-F79 HydrophobicContact CB-CD1 3.72Å; P51-F79 HydrophobicContact CB-CD2 4.33Å; P51-F79 HydrophobicContact CB-CE1 3.71Å; P51-F79 HydrophobicContact CB-CE2 4.35Å; P51-F79 HydrophobicContact CB-CG 4.03Å; P51-F79 HydrophobicContact CB-CZ 4.04Å; P51-F79 HydrophobicContact CG-CD1 3.96Å; P51-F79 HydrophobicContact CG-CD2 3.68Å; P51-F79 HydrophobicContact CG-CE1 3.79Å; P51-F79 HydrophobicContact CG-CE2 3.53Å; P51-F79 HydrophobicContact CG-CG 3.9Å; P51-F79 HydrophobicContact CG-CZ 3.58Å; P51-F79 VanDerWaalsContact O-CE1 3.24Å; P51-F79 WeakPolarHBondContact O-CE1 3.34Å; P51-F79 WeakPolarHBondContact O-CZ 3.29Å; P51-Y85 HydrophobicContact CB-CE1 4.06Å; P51-T89 HydrophobicContact CB-CG2 3.55Å; P51-T89 HydrophobicContact CG-CG2 3.83Å
52Q92.7Very high92.7Very high66 Ų6646.9 Ų46.931%0.30828%0.28SS..  trans-106.3160.2176.4-55.2-52.6-48.200109.4Y44 F50 F79 Y85Y44-Q52 PolarHBondContact O-NE2 3.25Å; Y44-Q52 VanDerWaalsContact O-NE2 3.11Å; F50-Q52 PolarHBondContact O-NE2 2.91Å; Q52-F79 WeakPolarHBondContact O-CD1 3.19Å; Q52-Y85 PolarHBondContact N-OH 2.84Å; Q52-Y85 WeakPolarHBondContact O-CE2 3.26Å; Q52-Y85 VanDerWaalsContact O-CZ 3.28Å; Q52-Y85 PolarHBondContact O-OH 3.46Å
53T88.9Confident92.8Very high32 Ų3246.6 Ų46.620%0.19628%0.278CS..  trans-111.4136.2177.5-172.10000109H58 R78T53-H58 HydrophobicContact CG2-CB 3.53Å; T53-H58 WeakPolarHBondContact CG2-O 3.46Å; T53-H58 WeakPolarHBondContact OG1-CB 3.46Å; T53-H58 PolarHBondContact OG1-ND1 2.74Å; T53-H58 VanDerWaalsContact OG1-ND1 3.07Å; T53-R78 PolarHBondContact OG1-O 2.97Å
54S89.8Confident92.8Very high96 Ų9644.4 Ų44.467%0.67126%0.264SS*.  trans-105.4-3.1172.551.80000112.9E83S54-E83 PolarHBondContact N-OE1 3.22Å; S54-E83 PolarHBondContact OG-OE1 3Å; S54-E83 VanDerWaalsContact OG-OE1 3.07Å
55V88.9Confident92.9Very high18 Ų1844.4 Ų44.411%0.10926%0.264CS..SBendtrans-78.6124.5-176.4179.60000110.7G57 H58 Y82 E83V55-G57 PolarHBondContact O-N 2.94Å; V55-H58 WeakPolarHBondContact O-CB 3.31Å; V55-H58 PolarHBondContact O-N 3.15Å; V55-H58 VanDerWaalsContact O-N 3.09Å; V55-Y82 HydrophobicContact CG2-CE2 4.15Å; V55-Y82 WeakPolarHBondContact CG2-OH 3.45Å; V55-E83 HydrophobicContact CG2-CG 4.33Å
56V87.1Confident92.9Very high99 Ų9941.4 Ų41.460%0.625%0.246SC*.THydrogen-bonded Turntrans-60.4130.3175.6-179.30000109.9H251 L255V56-H251 PolarHBondContact O-NE2 3.19Å; V56-L255 HydrophobicContact CG1-CD1 3.95Å
57G84.2Confident93Very high35 Ų3534.6 Ų34.636%0.36122%0.216SC..THydrogen-bonded Turntrans97.6-5.8-174.400000114.3V55V55-G57 PolarHBondContact O-N 2.94Å
58H88.4Confident92.9Very high15 Ų1536.8 Ų36.87%0.06923%0.232CC..  trans-99.2108.2168.9-69.9-173.7000110.7T53 V55 G60 G77 R78 H80T53-H58 HydrophobicContact CG2-CB 3.53Å; T53-H58 WeakPolarHBondContact CG2-O 3.46Å; T53-H58 WeakPolarHBondContact OG1-CB 3.46Å; T53-H58 PolarHBondContact OG1-ND1 2.74Å; T53-H58 VanDerWaalsContact OG1-ND1 3.07Å; V55-H58 WeakPolarHBondContact O-CB 3.31Å; V55-H58 PolarHBondContact O-N 3.15Å; V55-H58 VanDerWaalsContact O-N 3.09Å; H58-G60 PolarHBondContact O-N 3.02Å; H58-G77 VanDerWaalsContact CG-CA 3.45Å; H58-R78 PolarHBondContact CE1-N 3.45Å; H58-R78 PolarHBondContact CE1-O 2.99Å; H58-R78 VanDerWaalsContact CE1-O 3.3Å; H58-R78 PolarHBondContact ND1-N 3.2Å; H58-R78 VanDerWaalsContact ND1-N 3.2Å; H58-R78 PolarHBondContact ND1-O 3.35Å; H58-H80 AromaticContact CE1-CE1 3.35Å; H58-H80 PolarHBondContact CE1-CE1 3.06Å
59S90.8Very high93Very high70 Ų7037 Ų3749%0.4925%0.246SC..  trans-70.6-18-177.3-49.60000114.2Q76S59-Q76 PolarHBondContact N-O 2.84Å; S59-Q76 PolarHBondContact OG-OE1 3.17Å
60G94.7Very high93.3Very high11 Ų1132.8 Ų32.811%0.11322%0.222CC..  trans74.440.2175.100000113.9Y44 H58 Q76Y44-G60 WeakPolarHBondContact CB-O 3.35Å; Y44-G60 VanDerWaalsContact CD2-CA 3.41Å; Y44-G60 VanDerWaalsContact CG-C 3.5Å; Y44-G60 VanDerWaalsContact CG-O 3.22Å; Y44-G60 PolarHBondContact N-O 3.18Å; H58-G60 PolarHBondContact O-N 3.02Å; G60-Q76 PolarHBondContact N-O 3.31Å
61N96.3Very high93.4Very high32 Ų3236.8 Ų36.817%0.17124%0.24CC..EExtended strand (participates in β ladder)trans-121140.5-178.4-63.8-51.2000112.2T41 Y44 I63 Q76T41-N61 HydrophobicContact CG2-CB 3.99Å; Y44-N61 WeakPolarHBondContact CE1-O 3.27Å; Y44-N61 PolarHBondContact OH-O 3.3Å; N61-I63 HydrophobicContact CB-CD1 4.18Å; N61-I63 HydrophobicContact CB-CG1 4.03Å; N61-Q76 HydrophobicContact CB-CB 4.14Å; N61-Q76 PolarHBondContact ND2-OE1 3.37Å; N61-Q76 PolarHBondContact O-N 3.4Å
62L97.1Very high93.7Very high5 Ų536.4 Ų36.43%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-102.6113165.7-163.765.6000108.7I11 I42 Y44 I47 F64 V73 V74 M75I11-L62 HydrophobicContact CD1-CD2 3.67Å; I11-L62 HydrophobicContact CG1-CD2 4.4Å; I42-L62 PolarHBondContact N-O 3.14Å; I42-L62 PolarHBondContact O-N 2.84Å; Y44-L62 HydrophobicContact CD1-CB 4.24Å; Y44-L62 HydrophobicContact CE1-CB 3.93Å; I47-L62 HydrophobicContact CD1-CB 4.08Å; I47-L62 HydrophobicContact CD1-CD2 3.87Å; L62-F64 HydrophobicContact CB-CE2 4.34Å; L62-F64 HydrophobicContact CD2-CE2 3.63Å; L62-F64 HydrophobicContact CD2-CZ 3.64Å; L62-F64 HydrophobicContact CG-CE2 3.62Å; L62-F64 HydrophobicContact CG-CZ 3.91Å; L62-V73 HydrophobicContact CD1-CG2 3.54Å; L62-V73 HydrophobicContact CD2-CG2 4.41Å; L62-V73 HydrophobicContact CG-CG2 3.82Å; L62-V74 WeakPolarHBondContact CA-O 3.28Å; L62-M75 HydrophobicContact CD1-CG 3.66Å
63I97.6Very high94Very high7 Ų733.2 Ų33.24%0.03622%0.222CC..EExtended strand (participates in β ladder)trans-113.5122.3-170.4-60.1166.1000109.2A33 V36 K39 T41 N61 V73 V74 Q76A33-I63 HydrophobicContact CB-CD1 3.57Å; V36-I63 HydrophobicContact CB-CG2 4.5Å; V36-I63 HydrophobicContact CG1-CG2 4.33Å; K39-I63 HydrophobicContact CB-CG2 4.23Å; K39-I63 HydrophobicContact CD-CG2 4.07Å; K39-I63 HydrophobicContact CG-CG2 4.08Å; T41-I63 HydrophobicContact CG2-CG1 4.03Å; N61-I63 HydrophobicContact CB-CD1 4.18Å; N61-I63 HydrophobicContact CB-CG1 4.03Å; I63-V73 CarbonylContact O-C 3.58Å; I63-V73 WeakPolarHBondContact O-CA 3.46Å; I63-V74 HydrophobicContact CB-CB 4.31Å; I63-V74 PolarHBondContact N-O 2.87Å; I63-V74 PolarHBondContact O-N 3Å; I63-Q76 HydrophobicContact CD1-CB 4.27Å
64F98.2Very high94.4Very high0 Ų031.7 Ų31.70%021%0.213CC..EExtended strand (participates in β ladder)trans-106.4143.6175.8-64.2-95.5000109.6I11 V15 F17 P19 K39 I40 I42 L62 V72 V73 L100I11-F64 HydrophobicContact CG2-CE1 4.03Å; I11-F64 HydrophobicContact CG2-CE2 3.93Å; I11-F64 HydrophobicContact CG2-CZ 3.37Å; V15-F64 HydrophobicContact CB-CD1 4.37Å; V15-F64 HydrophobicContact CB-CG 4.42Å; V15-F64 HydrophobicContact CG1-CB 4.11Å; V15-F64 HydrophobicContact CG1-CD1 3.71Å; V15-F64 HydrophobicContact CG1-CE1 4.3Å; V15-F64 HydrophobicContact CG1-CG 3.93Å; V15-F64 HydrophobicContact CG2-CB 4.19Å; V15-F64 HydrophobicContact CG2-CD1 3.95Å; V15-F64 HydrophobicContact CG2-CD2 3.54Å; V15-F64 HydrophobicContact CG2-CE1 4.19Å; V15-F64 HydrophobicContact CG2-CE2 3.82Å; V15-F64 HydrophobicContact CG2-CG 3.62Å; V15-F64 HydrophobicContact CG2-CZ 4.14Å; F17-F64 HydrophobicContact CE1-CB 4.29Å; F17-F64 HydrophobicContact CZ-CB 3.76Å; P19-F64 HydrophobicContact CG-CD1 4.47Å; P19-F64 HydrophobicContact CG-CE1 4.27Å; K39-F64 CarbonylContact C-O 3.55Å; K39-F64 VanDerWaalsContact CA-O 3.25Å; K39-F64 WeakPolarHBondContact CA-O 3.42Å; I40-F64 HydrophobicContact CB-CB 4.28Å; I40-F64 PolarHBondContact N-O 3.46Å; I40-F64 PolarHBondContact O-N 3.37Å; I42-F64 HydrophobicContact CD1-CD2 4.32Å; I42-F64 HydrophobicContact CD1-CE2 4Å; L62-F64 HydrophobicContact CB-CE2 4.34Å; L62-F64 HydrophobicContact CD2-CE2 3.63Å; L62-F64 HydrophobicContact CD2-CZ 3.64Å; L62-F64 HydrophobicContact CG-CE2 3.62Å; L62-F64 HydrophobicContact CG-CZ 3.91Å; F64-V72 WeakPolarHBondContact CA-O 3.36Å; F64-V73 HydrophobicContact CD1-CB 3.81Å; F64-V73 HydrophobicContact CD1-CG2 3.87Å; F64-V73 HydrophobicContact CD2-CG2 4.5Å; F64-V73 HydrophobicContact CE1-CB 3.66Å; F64-V73 HydrophobicContact CE1-CG2 3.41Å; F64-V73 VanDerWaalsContact CE1-CG2 3.41Å; F64-V73 HydrophobicContact CE2-CG2 4.1Å; F64-V73 HydrophobicContact CG-CG2 4.38Å; F64-V73 HydrophobicContact CZ-CB 4.3Å; F64-V73 HydrophobicContact CZ-CG2 3.53Å; F64-L100 HydrophobicContact CE1-CD1 3.99Å; F64-L100 HydrophobicContact CZ-CD1 4.05Å
65G97.4Very high94.8Very high1 Ų127.2 Ų27.21%0.0118%0.182CC..EExtended strand (participates in β ladder)trans174.3-147.1170.200000111.6K37 V72K37-G65 CarbonylContact O-C 3.49Å; K37-G65 VanDerWaalsContact O-CA 3.27Å; K37-G65 WeakPolarHBondContact O-CA 3.49Å; G65-V72 PolarHBondContact N-O 3.38Å; G65-V72 PolarHBondContact O-N 3.37Å
66T96.9Very high95.1Very high38 Ų3827.5 Ų27.523%0.23318%0.181CC..EExtended strand (participates in β ladder)trans-118.7141.5173.564.70000112.3V36 K37 R70V36-T66 CarbonylContact C-O 3.55Å; V36-T66 WeakPolarHBondContact CA-O 3.33Å; K37-T66 PolarHBondContact N-O 3.04Å; K37-T66 PolarHBondContact O-N 3.17Å; T66-R70 CarbonylContact C-O 3.59Å; T66-R70 WeakPolarHBondContact CA-O 3.44Å
67L96Very high95.3Very high3 Ų322.8 Ų22.82%0.01615%0.153CC..EExtended strand (participates in β ladder)trans-132.9122.9173.2-166.464000107.6I23 G35 G69 R70 V72 E270 I273I23-L67 HydrophobicContact CD1-CD2 3.8Å; G35-L67 VanDerWaalsContact C-CD1 3.44Å; G35-L67 VanDerWaalsContact O-CD1 3.31Å; G35-L67 WeakPolarHBondContact O-CD1 3.42Å; L67-G69 PolarHBondContact O-N 3.1Å; L67-G69 VanDerWaalsContact O-N 3.14Å; L67-R70 PolarHBondContact N-O 2.85Å; L67-R70 WeakPolarHBondContact O-CB 3.39Å; L67-R70 PolarHBondContact O-N 2.97Å; L67-V72 HydrophobicContact CB-CG1 3.79Å; L67-V72 HydrophobicContact CB-CG2 4Å; L67-E270 HydrophobicContact CD1-CG 3.53Å; L67-E270 HydrophobicContact CD2-CG 4.23Å; L67-E270 HydrophobicContact CG-CG 3.84Å; L67-I273 HydrophobicContact CD2-CD1 3.63Å; L67-I273 HydrophobicContact CG-CD1 4.27Å; L67-I273 WeakPolarHBondContact O-CG2 3.35Å
68S95.4Very high95.8Very high51 Ų5121.2 Ų21.236%0.35714%0.136SC..THydrogen-bonded Turntrans48.738.9-171.1-54.30000113.7R70 E270S68-R70 PolarHBondContact O-N 3.3Å; S68-E270 WeakPolarHBondContact CB-O 3.48Å; S68-E270 WeakPolarHBondContact OG-CA 3.31Å; S68-E270 PolarHBondContact OG-O 2.95Å
69G94.9Very high96.1Very high70 Ų7020.7 Ų20.772%0.72213%0.134SC*.THydrogen-bonded Turntrans74.62.1-178.800000115.5L67L67-G69 PolarHBondContact O-N 3.1Å; L67-G69 VanDerWaalsContact O-N 3.14Å
70R96.8Very high96.3Very high17 Ų1717.9 Ų17.96%0.06411%0.113CC..EExtended strand (participates in β ladder)trans-98.7143.2178.7-58.5-57.6-66.5-93.24.6110.8E20 I21 T66 L67 S68 V72 I273 L276 P277E20-R70 VanDerWaalsContact CD-NH2 3.26Å; E20-R70 WeakPolarHBondContact OE1-CA 3.45Å; E20-R70 WeakPolarHBondContact OE1-CB 3.04Å; E20-R70 WeakPolarHBondContact OE1-CD 3.37Å; E20-R70 IonicContact OE1-CZ 3.29Å; E20-R70 IonicContact OE1-NE 3.16Å; E20-R70 PolarHBondContact OE1-NE 3.37Å; E20-R70 IonicContact OE1-NH2 3.8Å; E20-R70 IonicContact OE2-CZ 3.71Å; E20-R70 VanDerWaalsContact OE2-CZ 3.29Å; E20-R70 IonicContact OE2-NE 2.63Å; E20-R70 PolarHBondContact OE2-NE 3.46Å; E20-R70 VanDerWaalsContact OE2-NE 3.08Å; E20-R70 IonicContact OE2-NH2 2.69Å; E20-R70 PolarHBondContact OE2-NH2 2.92Å; I21-R70 HydrophobicContact CD1-CB 3.88Å; I21-R70 HydrophobicContact CD1-CG 4.32Å; T66-R70 CarbonylContact C-O 3.59Å; T66-R70 WeakPolarHBondContact CA-O 3.44Å; L67-R70 PolarHBondContact N-O 2.85Å; L67-R70 WeakPolarHBondContact O-CB 3.39Å; L67-R70 PolarHBondContact O-N 2.97Å; S68-R70 PolarHBondContact O-N 3.3Å; R70-V72 PolarHBondContact O-N 2.69Å; R70-I273 HydrophobicContact CB-CG2 3.6Å; R70-I273 HydrophobicContact CG-CG2 3.45Å; R70-I273 VanDerWaalsContact CG-CG2 3.45Å; R70-L276 PolarHBondContact NH1-O 3.38Å; R70-P277 PolarHBondContact NH1-O 3.4Å; R70-P277 PolarHBondContact NH2-O 2.85Å
71K97.6Very high96.1Very high98 Ų9818.6 Ų18.643%0.42611%0.114SC..EExtended strand (participates in β ladder)trans-79.7118.2-178.1-72170.6177.9170.40109.7F17 K18 P19 E20 I21F17-K71 HydrophobicContact CB-CD 4.14Å; F17-K71 HydrophobicContact CD2-CB 3.85Å; F17-K71 HydrophobicContact CD2-CD 3.77Å; F17-K71 HydrophobicContact CD2-CG 3.84Å; F17-K71 HydrophobicContact CE2-CB 3.87Å; F17-K71 HydrophobicContact CE2-CG 4.16Å; F17-K71 HydrophobicContact CG-CD 4.24Å; K18-K71 WeakPolarHBondContact O-CD 3.2Å; P19-K71 CarbonylContact C-O 3.55Å; P19-K71 WeakPolarHBondContact CA-O 3.39Å; E20-K71 PolarHBondContact N-O 2.99Å; E20-K71 PolarHBondContact OE1-N 3.26Å; I21-K71 PolarHBondContact N-O 3.21Å
72V98.1Very high96Very high0 Ų020.7 Ų20.70%012%0.12CC..EExtended strand (participates in β ladder)trans-120.8155.4-173.8-55.30000112.9I21 I23 V36 F64 G65 L67 R70 V74I21-V72 HydrophobicContact CB-CG1 4.17Å; I21-V72 CarbonylContact O-C 3.18Å; I21-V72 VanDerWaalsContact O-CA 3.29Å; I21-V72 WeakPolarHBondContact O-CA 3.49Å; I23-V72 HydrophobicContact CD1-CG1 4.44Å; V36-V72 HydrophobicContact CG1-CG2 4.05Å; V36-V72 HydrophobicContact CG2-CG2 4.04Å; F64-V72 WeakPolarHBondContact CA-O 3.36Å; G65-V72 PolarHBondContact N-O 3.38Å; G65-V72 PolarHBondContact O-N 3.37Å; L67-V72 HydrophobicContact CB-CG1 3.79Å; L67-V72 HydrophobicContact CB-CG2 4Å; R70-V72 PolarHBondContact O-N 2.69Å; V72-V74 HydrophobicContact CG2-CG2 4.12Å
73V98.2Very high95.8Very high0 Ų022.1 Ų22.10%013%0.127CC..EExtended strand (participates in β ladder)trans-124.1128.3160.957.10000108.9P19 I21 G22 I23 L62 I63 F64 M97 V102P19-V73 HydrophobicContact CB-CB 4Å; P19-V73 HydrophobicContact CB-CG1 3.87Å; P19-V73 HydrophobicContact CG-CB 4.04Å; P19-V73 HydrophobicContact CG-CG1 3.8Å; I21-V73 PolarHBondContact O-N 3.08Å; G22-V73 CarbonylContact C-O 3.46Å; G22-V73 WeakPolarHBondContact CA-O 3.4Å; I23-V73 PolarHBondContact N-O 2.8Å; L62-V73 HydrophobicContact CD1-CG2 3.54Å; L62-V73 HydrophobicContact CD2-CG2 4.41Å; L62-V73 HydrophobicContact CG-CG2 3.82Å; I63-V73 CarbonylContact O-C 3.58Å; I63-V73 WeakPolarHBondContact O-CA 3.46Å; F64-V73 HydrophobicContact CD1-CB 3.81Å; F64-V73 HydrophobicContact CD1-CG2 3.87Å; F64-V73 HydrophobicContact CD2-CG2 4.5Å; F64-V73 HydrophobicContact CE1-CB 3.66Å; F64-V73 HydrophobicContact CE1-CG2 3.41Å; F64-V73 VanDerWaalsContact CE1-CG2 3.41Å; F64-V73 HydrophobicContact CE2-CG2 4.1Å; F64-V73 HydrophobicContact CG-CG2 4.38Å; F64-V73 HydrophobicContact CZ-CB 4.3Å; F64-V73 HydrophobicContact CZ-CG2 3.53Å; V73-M97 HydrophobicContact CG1-CE 4.12Å; V73-M97 HydrophobicContact CG1-CG 4.06Å; V73-M97 HydrophobicContact CG1-SD 4.39Å; V73-M97 HydrophobicContact CG2-CE 4.48Å; V73-V102 HydrophobicContact CG1-CG2 3.69Å
74V98Very high95.6Very high0 Ų025.1 Ų25.10%016%0.159CC..EExtended strand (participates in β ladder)trans-117124.9-176.6-170.80000109.7I23 C25 A33 V36 L62 I63 V72I23-V74 HydrophobicContact CB-CB 4.37Å; I23-V74 HydrophobicContact CB-CG1 4.12Å; I23-V74 HydrophobicContact CB-CG2 4.06Å; I23-V74 HydrophobicContact CD1-CG2 4.19Å; I23-V74 HydrophobicContact CG1-CG2 4.45Å; I23-V74 HydrophobicContact CG2-CG1 4.14Å; I23-V74 CarbonylContact O-C 3.52Å; I23-V74 WeakPolarHBondContact O-CA 3.27Å; C25-V74 VanDerWaalsContact SG-CG1 3.56Å; A33-V74 HydrophobicContact CB-CG1 4.03Å; V36-V74 HydrophobicContact CG2-CG2 3.77Å; L62-V74 WeakPolarHBondContact CA-O 3.28Å; I63-V74 HydrophobicContact CB-CB 4.31Å; I63-V74 PolarHBondContact N-O 2.87Å; I63-V74 PolarHBondContact O-N 3Å; V72-V74 HydrophobicContact CG2-CG2 4.12Å
75M97.8Very high95.4Very high2 Ų228.1 Ų28.11%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-88.1107.5166.7-78.3178.568.400109I23 I24 C25 Y44 L62 G77 F79 P93 M97I23-M75 PolarHBondContact O-N 3.43Å; I24-M75 HydrophobicContact CB-CB 4.49Å; I24-M75 HydrophobicContact CD1-SD 4.44Å; I24-M75 HydrophobicContact CG1-CB 4.43Å; I24-M75 HydrophobicContact CG1-SD 4.23Å; I24-M75 HydrophobicContact CG2-CB 4.17Å; C25-M75 PolarHBondContact N-O 3.43Å; Y44-M75 WeakPolarHBondContact OH-CA 3.31Å; Y44-M75 VanDerWaalsContact OH-CB 3.31Å; Y44-M75 WeakPolarHBondContact OH-CB 3.2Å; L62-M75 HydrophobicContact CD1-CG 3.66Å; M75-G77 VanDerWaalsContact C-N 3.26Å; M75-G77 PolarHBondContact O-N 2.83Å; M75-F79 HydrophobicContact CE-CD2 4.22Å; M75-F79 HydrophobicContact CE-CE2 3.66Å; M75-P93 HydrophobicContact CE-CB 3.59Å; M75-P93 HydrophobicContact CE-CG 3.85Å; M75-P93 HydrophobicContact SD-CB 3.51Å; M75-P93 VanDerWaalsContact SD-CB 3.51Å; M75-P93 HydrophobicContact SD-CG 4.42Å; M75-M97 HydrophobicContact CB-CE 4.41Å; M75-M97 HydrophobicContact CG-CE 3.49Å; M75-M97 VanDerWaalsContact CG-CE 3.49Å; M75-M97 HydrophobicContact SD-CE 3.48Å; M75-M97 WeakPolarHBondContact SD-CE 3.26Å
76Q94.8Very high95.1Very high23 Ų2331 Ų3111%0.10719%0.191CC..EExtended strand (participates in β ladder)trans-84.574.6175.8-159.717840.300109.6G30 S59 G60 N61 I63G30-Q76 PolarHBondContact O-NE2 2.93Å; S59-Q76 PolarHBondContact N-O 2.84Å; S59-Q76 PolarHBondContact OG-OE1 3.17Å; G60-Q76 PolarHBondContact N-O 3.31Å; N61-Q76 HydrophobicContact CB-CB 4.14Å; N61-Q76 PolarHBondContact ND2-OE1 3.37Å; N61-Q76 PolarHBondContact O-N 3.4Å; I63-Q76 HydrophobicContact CD1-CB 4.27Å
77G93.3Very high94.9Very high1 Ų130.5 Ų30.51%0.0119%0.187CC..SBendtrans112.5157.8-170.900000112.4C25 Y44 H58 M75C25-G77 WeakPolarHBondContact O-CA 3.3Å; C25-G77 PolarHBondContact O-N 3.15Å; Y44-G77 PolarHBondContact OH-O 3.33Å; H58-G77 VanDerWaalsContact CG-CA 3.45Å; M75-G77 VanDerWaalsContact C-N 3.26Å; M75-G77 PolarHBondContact O-N 2.83Å
78R94.6Very high94.8Very high1 Ų136.1 Ų36.10%0.00422%0.217CC..  trans-133.8-179.3-178.168.5-176.463.2-176.2-9.1111.9I24 T53 H58 V107 S108 S214 T215 E218I24-R78 HydrophobicContact CG2-CB 3.89Å; I24-R78 VanDerWaalsContact CG2-NH2 3.28Å; I24-R78 PolarHBondContact O-NH2 2.92Å; T53-R78 PolarHBondContact OG1-O 2.97Å; H58-R78 PolarHBondContact CE1-N 3.45Å; H58-R78 PolarHBondContact CE1-O 2.99Å; H58-R78 VanDerWaalsContact CE1-O 3.3Å; H58-R78 PolarHBondContact ND1-N 3.2Å; H58-R78 VanDerWaalsContact ND1-N 3.2Å; H58-R78 PolarHBondContact ND1-O 3.35Å; R78-V107 VanDerWaalsContact NH2-CG1 3.31Å; R78-S108 PolarHBondContact NH2-O 3.33Å; R78-S214 PolarHBondContact NH1-OG 3.31Å; R78-S214 VanDerWaalsContact NH1-OG 3.16Å; R78-T215 PolarHBondContact NH1-OG1 3.3Å; R78-E218 WeakPolarHBondContact CD-OE1 3.27Å
79F94.7Very high94.7Very high5 Ų535.5 Ų35.52%0.02221%0.211CC..  trans-116.4138.5-178.3-44.9-70.9000109.5Y44 F50 P51 Q52 M75 E83 Y85 P93Y44-F79 AromaticContact CD2-CE1 3.88Å; Y44-F79 HydrophobicContact CD2-CE1 3.88Å; Y44-F79 AromaticContact CD2-CZ 3.59Å; Y44-F79 HydrophobicContact CD2-CZ 3.59Å; Y44-F79 AromaticContact CE2-CE1 3.94Å; Y44-F79 HydrophobicContact CE2-CE1 3.94Å; Y44-F79 HydrophobicContact CE2-CE2 4.38Å; Y44-F79 AromaticContact CE2-CZ 3.47Å; Y44-F79 HydrophobicContact CE2-CZ 3.47Å; Y44-F79 VanDerWaalsContact CE2-CZ 3.47Å; Y44-F79 HydrophobicContact CG-CZ 4.4Å; F50-F79 HydrophobicContact CD1-CZ 4.1Å; F50-F79 AromaticContact CE1-CE2 3.98Å; F50-F79 HydrophobicContact CE1-CE2 3.98Å; F50-F79 AromaticContact CE1-CZ 3.75Å; F50-F79 HydrophobicContact CE1-CZ 3.75Å; P51-F79 VanDerWaalsContact C-CE1 3.48Å; P51-F79 HydrophobicContact CB-CD1 3.72Å; P51-F79 HydrophobicContact CB-CD2 4.33Å; P51-F79 HydrophobicContact CB-CE1 3.71Å; P51-F79 HydrophobicContact CB-CE2 4.35Å; P51-F79 HydrophobicContact CB-CG 4.03Å; P51-F79 HydrophobicContact CB-CZ 4.04Å; P51-F79 HydrophobicContact CG-CD1 3.96Å; P51-F79 HydrophobicContact CG-CD2 3.68Å; P51-F79 HydrophobicContact CG-CE1 3.79Å; P51-F79 HydrophobicContact CG-CE2 3.53Å; P51-F79 HydrophobicContact CG-CG 3.9Å; P51-F79 HydrophobicContact CG-CZ 3.58Å; P51-F79 VanDerWaalsContact O-CE1 3.24Å; P51-F79 WeakPolarHBondContact O-CE1 3.34Å; P51-F79 WeakPolarHBondContact O-CZ 3.29Å; Q52-F79 WeakPolarHBondContact O-CD1 3.19Å; M75-F79 HydrophobicContact CE-CD2 4.22Å; M75-F79 HydrophobicContact CE-CE2 3.66Å; F79-E83 WeakPolarHBondContact CA-OE2 3.49Å; F79-Y85 HydrophobicContact CB-CD2 3.95Å; F79-Y85 HydrophobicContact CB-CE2 4.21Å; F79-Y85 HydrophobicContact CD1-CE2 4.16Å; F79-P93 HydrophobicContact CD2-CG 3.74Å; F79-P93 HydrophobicContact CE2-CG 3.47Å; F79-P93 VanDerWaalsContact CE2-CG 3.47Å
80H93.4Very high94.7Very high11 Ų1132.4 Ų32.45%0.05118%0.178CC..  trans-114.8152.6-177.6-5587.4000111.1H58 Y82 E83H58-H80 AromaticContact CE1-CE1 3.35Å; H58-H80 PolarHBondContact CE1-CE1 3.06Å; H80-Y82 VanDerWaalsContact C-N 3.31Å; H80-Y82 HydrophobicContact CB-CD1 3.67Å; H80-Y82 HydrophobicContact CB-CD2 4.16Å; H80-Y82 HydrophobicContact CB-CE1 3.37Å; H80-Y82 HydrophobicContact CB-CE2 3.87Å; H80-Y82 HydrophobicContact CB-CG 4.05Å; H80-Y82 VanDerWaalsContact CB-CZ 3.47Å; H80-Y82 AromaticContact CD2-CE1 3.5Å; H80-Y82 AromaticContact CD2-CZ 3.72Å; H80-Y82 PolarHBondContact CD2-OH 3.06Å; H80-Y82 PolarHBondContact CE1-OH 3.2Å; H80-Y82 VanDerWaalsContact CE1-OH 3.25Å; H80-Y82 AromaticContact CG-CE1 3.49Å; H80-Y82 VanDerWaalsContact CG-CE1 3.49Å; H80-Y82 AromaticContact CG-CZ 3.4Å; H80-Y82 VanDerWaalsContact CG-CZ 3.4Å; H80-Y82 AromaticContact ND1-CZ 3.71Å; H80-Y82 PolarHBondContact ND1-OH 3.4Å; H80-Y82 PolarHBondContact NE2-OH 3.17Å; H80-Y82 PolarHBondContact O-N 3.18Å; H80-E83 HydrophobicContact CB-CG 4.25Å; H80-E83 IonicContact CG-OE2 3.93Å; H80-E83 PolarHBondContact N-OE2 3.11Å; H80-E83 IonicContact ND1-OE2 3.38Å; H80-E83 PolarHBondContact ND1-OE2 2.95Å; H80-E83 VanDerWaalsContact ND1-OE2 3.11Å; H80-E83 WeakPolarHBondContact O-CB 3.33Å; H80-E83 PolarHBondContact O-N 2.93Å
81M91.8Very high94.7Very high26 Ų2631.8 Ų31.813%0.12818%0.176CC..G310 helixtrans-64.5-36.6175.9-67.5-177.7164.100112E83 G84 N87 V90 Y131 I140 M188 P217M81-E83 PolarHBondContact O-N 2.91Å; M81-E83 VanDerWaalsContact O-N 3.16Å; M81-G84 PolarHBondContact O-N 2.83Å; M81-N87 VanDerWaalsContact CE-OD1 3.26Å; M81-N87 WeakPolarHBondContact CE-OD1 3.46Å; M81-V90 HydrophobicContact CG-CG2 4.48Å; M81-Y131 WeakPolarHBondContact CE-OH 3.17Å; M81-I140 HydrophobicContact CE-CB 4.48Å; M81-I140 HydrophobicContact CE-CD1 3.7Å; M81-M188 HydrophobicContact SD-CE 4.12Å; M81-P217 HydrophobicContact CE-CB 4.28Å; M81-P217 HydrophobicContact CE-CG 3.81Å; M81-P217 HydrophobicContact SD-CG 4.46Å
82Y93.3Very high94.6Very high75 Ų7527.4 Ų27.429%0.29416%0.158SC..G310 helixtrans-65.7-14.5177.864.4-112.3000113.7V55 H80 G84 P192 M213V55-Y82 HydrophobicContact CG2-CE2 4.15Å; V55-Y82 WeakPolarHBondContact CG2-OH 3.45Å; H80-Y82 VanDerWaalsContact C-N 3.31Å; H80-Y82 HydrophobicContact CB-CD1 3.67Å; H80-Y82 HydrophobicContact CB-CD2 4.16Å; H80-Y82 HydrophobicContact CB-CE1 3.37Å; H80-Y82 HydrophobicContact CB-CE2 3.87Å; H80-Y82 HydrophobicContact CB-CG 4.05Å; H80-Y82 VanDerWaalsContact CB-CZ 3.47Å; H80-Y82 AromaticContact CD2-CE1 3.5Å; H80-Y82 AromaticContact CD2-CZ 3.72Å; H80-Y82 PolarHBondContact CD2-OH 3.06Å; H80-Y82 PolarHBondContact CE1-OH 3.2Å; H80-Y82 VanDerWaalsContact CE1-OH 3.25Å; H80-Y82 AromaticContact CG-CE1 3.49Å; H80-Y82 VanDerWaalsContact CG-CE1 3.49Å; H80-Y82 AromaticContact CG-CZ 3.4Å; H80-Y82 VanDerWaalsContact CG-CZ 3.4Å; H80-Y82 AromaticContact ND1-CZ 3.71Å; H80-Y82 PolarHBondContact ND1-OH 3.4Å; H80-Y82 PolarHBondContact NE2-OH 3.17Å; H80-Y82 PolarHBondContact O-N 3.18Å; Y82-G84 PolarHBondContact O-N 3.34Å; Y82-P192 HydrophobicContact CD2-CB 4.2Å; Y82-P192 HydrophobicContact CG-CB 4.09Å; Y82-M213 HydrophobicContact CD1-CB 4.15Å; Y82-M213 HydrophobicContact CD1-SD 4.49Å; Y82-M213 HydrophobicContact CE1-CB 3.84Å; Y82-M213 HydrophobicContact CE1-SD 4.21Å
83E94Very high94.6Very high36 Ų3627.6 Ų27.617%0.16816%0.159CC..G310 helixtrans-74.5-0.1171.4-65.9175.19700111.6S54 V55 F79 H80 M81 Y85S54-E83 PolarHBondContact N-OE1 3.22Å; S54-E83 PolarHBondContact OG-OE1 3Å; S54-E83 VanDerWaalsContact OG-OE1 3.07Å; V55-E83 HydrophobicContact CG2-CG 4.33Å; F79-E83 WeakPolarHBondContact CA-OE2 3.49Å; H80-E83 HydrophobicContact CB-CG 4.25Å; H80-E83 IonicContact CG-OE2 3.93Å; H80-E83 PolarHBondContact N-OE2 3.11Å; H80-E83 IonicContact ND1-OE2 3.38Å; H80-E83 PolarHBondContact ND1-OE2 2.95Å; H80-E83 VanDerWaalsContact ND1-OE2 3.11Å; H80-E83 WeakPolarHBondContact O-CB 3.33Å; H80-E83 PolarHBondContact O-N 2.93Å; M81-E83 PolarHBondContact O-N 2.91Å; M81-E83 VanDerWaalsContact O-N 3.16Å; E83-Y85 HydrophobicContact CB-CD2 3.7Å; E83-Y85 HydrophobicContact CB-CE2 3.77Å
84G92.3Very high94.6Very high70 Ų7027.6 Ų27.672%0.72216%0.159SC*.THydrogen-bonded Turntrans84.512.1-179.400000113.7M81 Y82M81-G84 PolarHBondContact O-N 2.83Å; Y82-G84 PolarHBondContact O-N 3.34Å
85Y93.2Very high94.6Very high63 Ų6327.9 Ų27.925%0.24716%0.16CC..  trans-73.4139.3179.6-74.1-52.7000112.6P51 Q52 F79 E83 T89P51-Y85 HydrophobicContact CB-CE1 4.06Å; Q52-Y85 PolarHBondContact N-OH 2.84Å; Q52-Y85 WeakPolarHBondContact O-CE2 3.26Å; Q52-Y85 VanDerWaalsContact O-CZ 3.28Å; Q52-Y85 PolarHBondContact O-OH 3.46Å; F79-Y85 HydrophobicContact CB-CD2 3.95Å; F79-Y85 HydrophobicContact CB-CE2 4.21Å; F79-Y85 HydrophobicContact CD1-CE2 4.16Å; E83-Y85 HydrophobicContact CB-CD2 3.7Å; E83-Y85 HydrophobicContact CB-CE2 3.77Å; Y85-T89 HydrophobicContact CD1-CG2 3.42Å; Y85-T89 VanDerWaalsContact CD1-CG2 3.42Å; Y85-T89 HydrophobicContact CE1-CG2 4.02Å; Y85-T89 HydrophobicContact CG-CG2 3.91Å
86S92.4Very high94.6Very high61 Ų6127.9 Ų27.943%0.42716%0.16SC..  trans-65.8157.6169.978.30000111.4D88 T89 V90S86-D88 VanDerWaalsContact C-N 3.26Å; S86-D88 PolarHBondContact O-N 3.47Å; S86-T89 WeakPolarHBondContact O-CA 3.31Å; S86-T89 WeakPolarHBondContact O-CB 3.11Å; S86-T89 PolarHBondContact O-N 3.43Å; S86-T89 PolarHBondContact OG-N 2.88Å; S86-T89 PolarHBondContact OG-OG1 2.85Å; S86-V90 PolarHBondContact O-N 2.83Å
87N92.8Very high94.7Very high27 Ų2727 Ų2714%0.14416%0.156CC..Hα-helixtrans-56.1-41.1175.4-74-15.7000112.4M81 T89 V90 A91 N138 N139 I140M81-N87 VanDerWaalsContact CE-OD1 3.26Å; M81-N87 WeakPolarHBondContact CE-OD1 3.46Å; N87-T89 VanDerWaalsContact C-N 3.27Å; N87-T89 PolarHBondContact O-N 3.38Å; N87-V90 PolarHBondContact O-N 2.95Å; N87-A91 VanDerWaalsContact O-CB 3.28Å; N87-A91 WeakPolarHBondContact O-CB 3.3Å; N87-A91 PolarHBondContact O-N 3.02Å; N87-N138 PolarHBondContact ND2-OD1 3.41Å; N87-N138 VanDerWaalsContact ND2-OD1 3.11Å; N87-N139 PolarHBondContact ND2-O 2.99Å; N87-I140 HydrophobicContact CB-CD1 3.72Å; N87-I140 VanDerWaalsContact O-CD1 3.27Å; N87-I140 WeakPolarHBondContact O-CD1 3.36Å
88D92.9Very high94.9Very high121 Ų12130.6 Ų30.665%0.64717%0.172SC*.Hα-helixtrans-61.5-36.2175.6-80.1-13.2000112.5S86 L92S86-D88 VanDerWaalsContact C-N 3.26Å; S86-D88 PolarHBondContact O-N 3.47Å; D88-L92 WeakPolarHBondContact O-CB 3.3Å; D88-L92 PolarHBondContact O-N 3.21Å
89T93.9Very high95Very high39 Ų3933.6 Ų33.624%0.23919%0.187CC..Hα-helixtrans-69.5-44.5178.5-54.80000111.5P51 Y85 S86 N87 A91 L92P51-T89 HydrophobicContact CB-CG2 3.55Å; P51-T89 HydrophobicContact CG-CG2 3.83Å; Y85-T89 HydrophobicContact CD1-CG2 3.42Å; Y85-T89 VanDerWaalsContact CD1-CG2 3.42Å; Y85-T89 HydrophobicContact CE1-CG2 4.02Å; Y85-T89 HydrophobicContact CG-CG2 3.91Å; S86-T89 WeakPolarHBondContact O-CA 3.31Å; S86-T89 WeakPolarHBondContact O-CB 3.11Å; S86-T89 PolarHBondContact O-N 3.43Å; S86-T89 PolarHBondContact OG-N 2.88Å; S86-T89 PolarHBondContact OG-OG1 2.85Å; N87-T89 VanDerWaalsContact C-N 3.27Å; N87-T89 PolarHBondContact O-N 3.38Å; T89-A91 VanDerWaalsContact C-N 3.33Å; T89-L92 WeakPolarHBondContact O-CB 3.38Å; T89-L92 PolarHBondContact O-N 2.89Å
90V95.1Very high95.1Very high4 Ų433.5 Ų33.52%0.02419%0.187CC..Hα-helixtrans-67.3-35.6177.1176.90000111M81 S86 N87 P93 I140 P217M81-V90 HydrophobicContact CG-CG2 4.48Å; S86-V90 PolarHBondContact O-N 2.83Å; N87-V90 PolarHBondContact O-N 2.95Å; V90-P93 VanDerWaalsContact O-CD 3.31Å; V90-P93 WeakPolarHBondContact O-CD 3.12Å; V90-I140 HydrophobicContact CB-CD1 3.94Å; V90-I140 HydrophobicContact CG1-CD1 4.09Å; V90-P217 HydrophobicContact CG1-CB 3.78Å
91A96.3Very high95.3Very high4 Ų434.3 Ų34.33%0.03320%0.199CC..Hα-helixtrans-71.9-28.1177.900000113.9N87 T89 P93 I94 R95 I140 I221N87-A91 VanDerWaalsContact O-CB 3.28Å; N87-A91 WeakPolarHBondContact O-CB 3.3Å; N87-A91 PolarHBondContact O-N 3.02Å; T89-A91 VanDerWaalsContact C-N 3.33Å; A91-P93 VanDerWaalsContact C-CD 3.48Å; A91-I94 PolarHBondContact O-N 3.27Å; A91-R95 WeakPolarHBondContact O-CG 3.38Å; A91-R95 PolarHBondContact O-N 2.9Å; A91-R95 VanDerWaalsContact O-N 3.17Å; A91-I140 HydrophobicContact CB-CG1 4.39Å; A91-I221 HydrophobicContact CB-CD1 3.62Å; A91-I221 HydrophobicContact CB-CG1 3.65Å; A91-I221 HydrophobicContact CB-CG2 4.36Å
92L96.7Very high95.6Very high6 Ų633.1 Ų33.13%0.03119%0.193CC..Hα-helixtrans-49.1-50.1-171.117768.6000114.1V4 V7 F50 D88 T89 I94 R95 V96V4-L92 HydrophobicContact CB-CD1 4.14Å; V4-L92 HydrophobicContact CG1-CD1 4.41Å; V4-L92 HydrophobicContact CG2-CD1 3.77Å; V7-L92 HydrophobicContact CG2-CD1 4.49Å; V7-L92 HydrophobicContact CG2-CD2 4.41Å; F50-L92 HydrophobicContact CD2-CD2 4.35Å; D88-L92 WeakPolarHBondContact O-CB 3.3Å; D88-L92 PolarHBondContact O-N 3.21Å; T89-L92 WeakPolarHBondContact O-CB 3.38Å; T89-L92 PolarHBondContact O-N 2.89Å; L92-I94 VanDerWaalsContact C-N 3.31Å; L92-I94 PolarHBondContact O-N 2.77Å; L92-R95 PolarHBondContact O-N 2.77Å; L92-V96 HydrophobicContact CD1-CG2 4.09Å; L92-V96 HydrophobicContact CG-CG2 4.37Å; L92-V96 VanDerWaalsContact O-CG2 3.28Å; L92-V96 WeakPolarHBondContact O-CG2 3.39Å; L92-V96 PolarHBondContact O-N 3.15Å
93P97.2Very high95.8Very high4 Ų434.8 Ų34.83%0.02620%0.202CC..Hα-helixtrans-62.5-38-175.1-21.734.6000112.7F50 M75 F79 V90 A91 V96 M97F50-P93 HydrophobicContact CE2-CB 4.41Å; F50-P93 HydrophobicContact CE2-CG 4.43Å; F50-P93 HydrophobicContact CZ-CB 3.93Å; F50-P93 HydrophobicContact CZ-CG 3.97Å; M75-P93 HydrophobicContact CE-CB 3.59Å; M75-P93 HydrophobicContact CE-CG 3.85Å; M75-P93 HydrophobicContact SD-CB 3.51Å; M75-P93 VanDerWaalsContact SD-CB 3.51Å; M75-P93 HydrophobicContact SD-CG 4.42Å; F79-P93 HydrophobicContact CD2-CG 3.74Å; F79-P93 HydrophobicContact CE2-CG 3.47Å; F79-P93 VanDerWaalsContact CE2-CG 3.47Å; V90-P93 VanDerWaalsContact O-CD 3.31Å; V90-P93 WeakPolarHBondContact O-CD 3.12Å; A91-P93 VanDerWaalsContact C-CD 3.48Å; P93-V96 WeakPolarHBondContact O-CB 3.44Å; P93-V96 PolarHBondContact O-N 2.96Å; P93-M97 WeakPolarHBondContact O-CG 3.47Å; P93-M97 PolarHBondContact O-N 3.33Å
94I98.1Very high96Very high1 Ų134 Ų341%0.00520%0.199CC..Hα-helixtrans-72.6-38.7-178.9-49.1-51.9000110.8I24 A91 L92 V96 M97 K98 L105 E218 I221 A222I24-I94 HydrophobicContact CD1-CD1 3.56Å; A91-I94 PolarHBondContact O-N 3.27Å; L92-I94 VanDerWaalsContact C-N 3.31Å; L92-I94 PolarHBondContact O-N 2.77Å; I94-V96 VanDerWaalsContact C-N 3.3Å; I94-V96 PolarHBondContact O-N 3.4Å; I94-M97 HydrophobicContact CD1-SD 4.32Å; I94-M97 WeakPolarHBondContact O-CB 3.17Å; I94-M97 PolarHBondContact O-N 3.11Å; I94-K98 PolarHBondContact O-N 2.91Å; I94-L105 HydrophobicContact CD1-CD1 4.4Å; I94-L105 HydrophobicContact CD1-CD2 4.1Å; I94-E218 HydrophobicContact CD1-CB 3.97Å; I94-E218 HydrophobicContact CD1-CG 4.09Å; I94-E218 HydrophobicContact CG1-CB 3.94Å; I94-E218 HydrophobicContact CG1-CG 4.1Å; I94-I221 HydrophobicContact CB-CB 4.22Å; I94-I221 HydrophobicContact CB-CG2 3.68Å; I94-I221 HydrophobicContact CG2-CB 4.2Å; I94-I221 HydrophobicContact CG2-CG2 3.77Å; I94-A222 HydrophobicContact CG2-CB 3.91Å
95R97.8Very high96.3Very high5 Ų530.8 Ų30.82%0.01916%0.164CC..Hα-helixtrans-60.9-40.9171.5-63-62.5-161.7-162.1-1.6111.6V4 A91 L92 K98 L99 F149 I221 H224 C225V4-R95 HydrophobicContact CG1-CB 3.56Å; V4-R95 HydrophobicContact CG2-CB 4.2Å; A91-R95 WeakPolarHBondContact O-CG 3.38Å; A91-R95 PolarHBondContact O-N 2.9Å; A91-R95 VanDerWaalsContact O-N 3.17Å; L92-R95 PolarHBondContact O-N 2.77Å; R95-K98 WeakPolarHBondContact O-CB 3.5Å; R95-K98 PolarHBondContact O-N 3.25Å; R95-L99 PolarHBondContact O-N 3.29Å; R95-L99 VanDerWaalsContact O-N 3.14Å; R95-F149 HydrophobicContact CB-CE1 4.19Å; R95-F149 HydrophobicContact CB-CE2 4.36Å; R95-F149 HydrophobicContact CB-CZ 3.94Å; R95-F149 HydrophobicContact CG-CE2 4.33Å; R95-F149 HydrophobicContact CG-CZ 4.38Å; R95-I221 HydrophobicContact CG-CG2 4.05Å; R95-H224 PolarHBondContact NH1-ND1 3.18Å; R95-H224 PolarHBondContact NH2-CE1 3.44Å; R95-H224 PolarHBondContact NH2-ND1 3.24Å; R95-C225 PolarHBondContact NH1-SG 2.85Å
96V97.4Very high96.6Very high3 Ų327.9 Ų27.92%0.01815%0.153CC..Hα-helixtrans-63.3-48.3174.8169.30000110.3V4 V7 A8 I11 L92 P93 I94 K98 L99 L100V4-V96 HydrophobicContact CG1-CG2 3.85Å; V7-V96 HydrophobicContact CB-CG2 3.85Å; V7-V96 HydrophobicContact CG1-CB 4.39Å; V7-V96 HydrophobicContact CG1-CG1 4Å; V7-V96 HydrophobicContact CG1-CG2 3.52Å; A8-V96 HydrophobicContact CB-CG1 4.48Å; I11-V96 HydrophobicContact CD1-CG1 3.62Å; L92-V96 HydrophobicContact CD1-CG2 4.09Å; L92-V96 HydrophobicContact CG-CG2 4.37Å; L92-V96 VanDerWaalsContact O-CG2 3.28Å; L92-V96 WeakPolarHBondContact O-CG2 3.39Å; L92-V96 PolarHBondContact O-N 3.15Å; P93-V96 WeakPolarHBondContact O-CB 3.44Å; P93-V96 PolarHBondContact O-N 2.96Å; I94-V96 VanDerWaalsContact C-N 3.3Å; I94-V96 PolarHBondContact O-N 3.4Å; V96-K98 VanDerWaalsContact C-N 3.26Å; V96-K98 PolarHBondContact O-N 3.05Å; V96-L99 PolarHBondContact O-N 2.97Å; V96-L100 HydrophobicContact CG1-CD1 3.84Å; V96-L100 HydrophobicContact CG1-CG 4.2Å; V96-L100 VanDerWaalsContact O-CG 3.31Å; V96-L100 WeakPolarHBondContact O-CG 3.4Å; V96-L100 PolarHBondContact O-N 2.53Å
97M97.8Very high96.9Very high4 Ų425 Ų252%0.0213%0.133CC..Hα-helixtrans-54.1-42.4175.1-76.5-177.5179.300112.2V73 M75 P93 I94 L99 L100 G101 V102 L105V73-M97 HydrophobicContact CG1-CE 4.12Å; V73-M97 HydrophobicContact CG1-CG 4.06Å; V73-M97 HydrophobicContact CG1-SD 4.39Å; V73-M97 HydrophobicContact CG2-CE 4.48Å; M75-M97 HydrophobicContact CB-CE 4.41Å; M75-M97 HydrophobicContact CG-CE 3.49Å; M75-M97 VanDerWaalsContact CG-CE 3.49Å; M75-M97 HydrophobicContact SD-CE 3.48Å; M75-M97 WeakPolarHBondContact SD-CE 3.26Å; P93-M97 WeakPolarHBondContact O-CG 3.47Å; P93-M97 PolarHBondContact O-N 3.33Å; I94-M97 HydrophobicContact CD1-SD 4.32Å; I94-M97 WeakPolarHBondContact O-CB 3.17Å; I94-M97 PolarHBondContact O-N 3.11Å; M97-L99 PolarHBondContact O-N 3.14Å; M97-L100 PolarHBondContact O-N 2.88Å; M97-G101 PolarHBondContact O-N 2.81Å; M97-V102 HydrophobicContact CB-CB 4Å; M97-V102 HydrophobicContact CB-CG1 4.49Å; M97-V102 HydrophobicContact CB-CG2 3.83Å; M97-V102 HydrophobicContact CG-CG2 4.24Å; M97-V102 WeakPolarHBondContact O-CB 3.24Å; M97-V102 WeakPolarHBondContact O-CG2 3.36Å; M97-V102 PolarHBondContact O-N 3.21Å; M97-L105 HydrophobicContact SD-CD1 3.71Å
98K97.8Very high97.1Very high77 Ų7723.7 Ų23.734%0.33513%0.126SC..Hα-helixtrans-57.9-46.6173.817959.3178.1-163.90112.1I94 R95 V96 L100 G101 F149 C225 I227I94-K98 PolarHBondContact O-N 2.91Å; R95-K98 WeakPolarHBondContact O-CB 3.5Å; R95-K98 PolarHBondContact O-N 3.25Å; V96-K98 VanDerWaalsContact C-N 3.26Å; V96-K98 PolarHBondContact O-N 3.05Å; K98-L100 VanDerWaalsContact C-N 3.3Å; K98-L100 PolarHBondContact O-N 3.44Å; K98-G101 PolarHBondContact O-N 2.88Å; K98-F149 HydrophobicContact CB-CD1 4.49Å; K98-F149 HydrophobicContact CB-CE1 4.44Å; K98-F149 HydrophobicContact CG-CD1 4.08Å; K98-F149 HydrophobicContact CG-CE1 4.33Å; K98-C225 HydrophobicContact CB-CB 4.11Å; K98-C225 HydrophobicContact CD-CB 3.93Å; K98-C225 WeakPolarHBondContact CE-O 3.46Å; K98-C225 HydrophobicContact CG-CB 3.86Å; K98-C225 PolarHBondContact NZ-O 2.84Å; K98-I227 HydrophobicContact CB-CD1 3.97Å; K98-I227 HydrophobicContact CD-CD1 4.14Å; K98-I227 HydrophobicContact CD-CG1 4.12Å
99L96.5Very high97.3Very high63 Ų6318 Ų1833%0.3310%0.095SC..Hα-helixtrans-66.7-31178.1-64.3-172.9000112.8V4 R5 A8 R95 V96 M97 G101 F149V4-L99 HydrophobicContact CG1-CD1 3.76Å; V4-L99 HydrophobicContact CG1-CG 4.44Å; R5-L99 HydrophobicContact CG-CD1 4.04Å; A8-L99 HydrophobicContact CB-CB 4.02Å; A8-L99 HydrophobicContact CB-CD1 4.02Å; R95-L99 PolarHBondContact O-N 3.29Å; R95-L99 VanDerWaalsContact O-N 3.14Å; V96-L99 PolarHBondContact O-N 2.97Å; M97-L99 PolarHBondContact O-N 3.14Å; L99-G101 PolarHBondContact O-N 2.84Å; L99-F149 HydrophobicContact CD1-CZ 4.46Å; L99-F149 HydrophobicContact CD2-CE1 3.8Å; L99-F149 HydrophobicContact CD2-CZ 4.2Å; L99-F149 HydrophobicContact CG-CE1 4.04Å; L99-F149 HydrophobicContact CG-CZ 4.27Å
100L96.7Very high97.4Very high3 Ų317 Ų172%0.0169%0.092CC..Hα-helixtrans-71.3-17.9175.9-65.3173.3000113I11 F12 K18 P19 F64 V96 M97 K98I11-L100 HydrophobicContact CB-CD2 4.25Å; I11-L100 HydrophobicContact CD1-CD1 4.28Å; I11-L100 HydrophobicContact CG2-CD1 4.07Å; I11-L100 HydrophobicContact CG2-CD2 3.77Å; F12-L100 HydrophobicContact CD1-CD2 3.98Å; F12-L100 HydrophobicContact CD2-CD2 4.44Å; F12-L100 HydrophobicContact CE1-CD2 3.6Å; F12-L100 HydrophobicContact CE2-CD2 4.11Å; F12-L100 HydrophobicContact CG-CD2 4.38Å; F12-L100 HydrophobicContact CZ-CD2 3.69Å; K18-L100 WeakPolarHBondContact CB-O 3.25Å; P19-L100 HydrophobicContact CG-CB 4Å; F64-L100 HydrophobicContact CE1-CD1 3.99Å; F64-L100 HydrophobicContact CZ-CD1 4.05Å; V96-L100 HydrophobicContact CG1-CD1 3.84Å; V96-L100 HydrophobicContact CG1-CG 4.2Å; V96-L100 VanDerWaalsContact O-CG 3.31Å; V96-L100 WeakPolarHBondContact O-CG 3.4Å; V96-L100 PolarHBondContact O-N 2.53Å; M97-L100 PolarHBondContact O-N 2.88Å; K98-L100 VanDerWaalsContact C-N 3.3Å; K98-L100 PolarHBondContact O-N 3.44Å
101G96.8Very high97.5Very high29 Ų2917 Ų1730%0.2999%0.091SC..THydrogen-bonded Turntrans111.47.4176.700000115.1P19 M97 K98 L99 K103P19-G101 CarbonylContact O-C 3.5Å; M97-G101 PolarHBondContact O-N 2.81Å; K98-G101 PolarHBondContact O-N 2.88Å; L99-G101 PolarHBondContact O-N 2.84Å; G101-K103 PolarHBondContact O-N 2.85Å
102V98.4Very high97.6Very high1 Ų117 Ų171%0.0069%0.092CC..  trans-60.7131.5178.2173.10000110.4P19 G22 V73 M97 I104 I227P19-V102 HydrophobicContact CB-CG2 4.28Å; P19-V102 HydrophobicContact CG-CG2 4.01Å; P19-V102 PolarHBondContact O-N 2.85Å; G22-V102 VanDerWaalsContact N-CG1 3.3Å; V73-V102 HydrophobicContact CG1-CG2 3.69Å; M97-V102 HydrophobicContact CB-CB 4Å; M97-V102 HydrophobicContact CB-CG1 4.49Å; M97-V102 HydrophobicContact CB-CG2 3.83Å; M97-V102 HydrophobicContact CG-CG2 4.24Å; M97-V102 WeakPolarHBondContact O-CB 3.24Å; M97-V102 WeakPolarHBondContact O-CG2 3.36Å; M97-V102 PolarHBondContact O-N 3.21Å; V102-I104 WeakPolarHBondContact CG1-O 3.32Å; V102-I227 HydrophobicContact CG1-CD1 4.48Å; V102-I227 HydrophobicContact CG1-CG2 4.46Å
103K98.1Very high97.6Very high110 Ų11016.7 Ų16.748%0.4789%0.09SC..  trans-112.5-27.8177.9-62.5-177.9-179.6178.10112.8E20 G101 I227 Q228 D279E20-K103 PolarHBondContact O-N 2.9Å; G101-K103 PolarHBondContact O-N 2.85Å; K103-I227 WeakPolarHBondContact O-CA 3.41Å; K103-I227 WeakPolarHBondContact O-CG2 3.48Å; K103-Q228 PolarHBondContact O-N 2.81Å; K103-D279 IonicContact NZ-OD1 3.71Å; K103-D279 IonicContact NZ-OD2 2.64Å; K103-D279 PolarHBondContact NZ-OD2 3.37Å
104I98.6Very high97.7Very high20 Ų2016.5 Ų16.510%0.1039%0.089CC..EExtended strand (participates in β ladder)trans-123.1131.1178.5-59.7169.3000109E20 I21 G22 V102 M106 L164 Q228 L276E20-I104 PolarHBondContact O-N 3.21Å; I21-I104 CarbonylContact C-O 3.56Å; I21-I104 VanDerWaalsContact CA-O 3.3Å; I21-I104 WeakPolarHBondContact CA-O 3.25Å; I21-I104 HydrophobicContact CG1-CB 4.16Å; G22-I104 PolarHBondContact N-O 3.35Å; V102-I104 WeakPolarHBondContact CG1-O 3.32Å; I104-M106 HydrophobicContact CG2-CG 4.22Å; I104-L164 HydrophobicContact CG2-CD1 3.88Å; I104-Q228 CarbonylContact C-O 3.3Å; I104-Q228 WeakPolarHBondContact CA-O 3.3Å; I104-Q228 HydrophobicContact CG1-CB 4.37Å; I104-L276 HydrophobicContact CD1-CD1 3.86Å; I104-L276 HydrophobicContact CD1-CD2 4.17Å
105L98.8Very high97.7Very high1 Ų118.7 Ų18.71%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-111.2121.3172.2-17371.6000109.5G22 I24 I94 M97 V107 A222 I227 Q228 V229 F230G22-L105 CarbonylContact O-C 3.57Å; G22-L105 WeakPolarHBondContact O-CA 3.41Å; I24-L105 HydrophobicContact CD1-CD1 4.07Å; I24-L105 HydrophobicContact CD1-CD2 4.17Å; I24-L105 HydrophobicContact CD1-CG 4.47Å; I24-L105 HydrophobicContact CG1-CD1 4.01Å; I94-L105 HydrophobicContact CD1-CD1 4.4Å; I94-L105 HydrophobicContact CD1-CD2 4.1Å; M97-L105 HydrophobicContact SD-CD1 3.71Å; L105-V107 HydrophobicContact CD2-CG2 3.7Å; L105-V107 HydrophobicContact CG-CG2 3.7Å; L105-A222 HydrophobicContact CB-CB 4.49Å; L105-A222 HydrophobicContact CD2-CB 3.73Å; L105-I227 HydrophobicContact CB-CG2 3.71Å; L105-Q228 PolarHBondContact N-O 2.78Å; L105-V229 HydrophobicContact CB-CG2 4.39Å; L105-V229 WeakPolarHBondContact O-CA 3.48Å; L105-F230 PolarHBondContact O-N 2.77Å
106M98.6Very high97.6Very high2 Ų223.9 Ų23.91%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-105.8118.2173.2-59.6-178.973.600109.4I21 G22 I23 I24 I104 F230 F269 I272 I273I21-M106 HydrophobicContact CG2-CG 4.17Å; I21-M106 HydrophobicContact CG2-SD 4.08Å; G22-M106 PolarHBondContact O-N 3.07Å; I23-M106 CarbonylContact C-O 3.54Å; I23-M106 VanDerWaalsContact CA-O 3.25Å; I23-M106 WeakPolarHBondContact CA-O 3.28Å; I23-M106 HydrophobicContact CG1-CB 4.42Å; I24-M106 PolarHBondContact N-O 2.84Å; I104-M106 HydrophobicContact CG2-CG 4.22Å; M106-F230 CarbonylContact C-O 3.53Å; M106-F230 VanDerWaalsContact CA-O 3.29Å; M106-F230 WeakPolarHBondContact CA-O 3.31Å; M106-F230 HydrophobicContact CB-CD1 4.33Å; M106-F230 HydrophobicContact CE-CD1 3.6Å; M106-F230 HydrophobicContact CE-CE1 3.94Å; M106-F230 HydrophobicContact CG-CB 4.39Å; M106-F230 HydrophobicContact CG-CD1 4.24Å; M106-F269 HydrophobicContact CB-CD1 4.16Å; M106-F269 HydrophobicContact CB-CE1 3.67Å; M106-F269 HydrophobicContact CB-CZ 4.44Å; M106-F269 HydrophobicContact CE-CB 4.31Å; M106-F269 HydrophobicContact CE-CD1 3.64Å; M106-F269 HydrophobicContact CE-CD2 4.24Å; M106-F269 HydrophobicContact CE-CE1 3.95Å; M106-F269 HydrophobicContact CE-CE2 4.49Å; M106-F269 HydrophobicContact CE-CG 3.81Å; M106-F269 HydrophobicContact CE-CZ 4.36Å; M106-F269 HydrophobicContact SD-CD1 4.28Å; M106-I272 HydrophobicContact CE-CB 4.13Å; M106-I272 HydrophobicContact CE-CD1 4.22Å; M106-I272 HydrophobicContact CE-CG2 3.83Å; M106-I273 HydrophobicContact CE-CG1 4.28Å; M106-I273 HydrophobicContact SD-CD1 3.78Å; M106-I273 HydrophobicContact SD-CG1 3.56Å; M106-I273 VanDerWaalsContact SD-CG1 3.56Å
107V98.2Very high97.5Very high0 Ų027.2 Ų27.20%014%0.144CC..EExtended strand (participates in β ladder)trans-116.5129.1-173.6-172.50000109.7I24 R78 L105 T215 V229 F230 A231 V232I24-V107 HydrophobicContact CB-CG1 4.3Å; I24-V107 HydrophobicContact CD1-CG2 4.15Å; I24-V107 HydrophobicContact CG1-CG2 4.47Å; R78-V107 VanDerWaalsContact NH2-CG1 3.31Å; L105-V107 HydrophobicContact CD2-CG2 3.7Å; L105-V107 HydrophobicContact CG-CG2 3.7Å; V107-T215 HydrophobicContact CG1-CG2 3.91Å; V107-V229 HydrophobicContact CG2-CG1 4.44Å; V107-F230 PolarHBondContact N-O 2.76Å; V107-A231 HydrophobicContact CB-CB 4.13Å; V107-A231 CarbonylContact O-C 3.59Å; V107-A231 VanDerWaalsContact O-CA 3.23Å; V107-A231 WeakPolarHBondContact O-CA 3.37Å; V107-V232 PolarHBondContact O-N 3.39Å
108S97.3Very high97.5Very high0 Ų027.6 Ų27.60%015%0.146CC..EExtended strand (participates in β ladder)trans-116.4137.7170.869.60000111.1I24 G26 L29 R78 V232 M265I24-S108 PolarHBondContact O-N 3.07Å; I24-S108 PolarHBondContact O-OG 3.35Å; G26-S108 WeakPolarHBondContact CA-O 3.43Å; G26-S108 PolarHBondContact N-O 2.77Å; L29-S108 WeakPolarHBondContact CD1-OG 3.3Å; R78-S108 PolarHBondContact NH2-O 3.33Å; S108-V232 CarbonylContact C-O 3.55Å; S108-V232 VanDerWaalsContact CA-O 3.3Å; S108-V232 WeakPolarHBondContact CA-O 3.34Å; S108-M265 WeakPolarHBondContact CB-SD 3.43Å
109N96.7Very high97.5Very high1 Ų130.9 Ų30.91%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-135.7163.5175.669.558.9000111.6T215 V232 S233 L234N109-T215 WeakPolarHBondContact CB-OG1 3.31Å; N109-T215 PolarHBondContact ND2-OG1 2.85Å; N109-V232 PolarHBondContact N-O 3.21Å; N109-S233 VanDerWaalsContact CG-OG 3.27Å; N109-S233 PolarHBondContact ND2-OG 3.31Å; N109-S233 VanDerWaalsContact ND2-OG 3.15Å; N109-S233 CarbonylContact O-C 3.51Å; N109-S233 WeakPolarHBondContact O-CA 3.47Å; N109-S233 WeakPolarHBondContact OD1-CA 3.47Å; N109-S233 VanDerWaalsContact OD1-CB 3.31Å; N109-S233 WeakPolarHBondContact OD1-CB 3.1Å; N109-S233 PolarHBondContact OD1-OG 3.32Å; N109-L234 PolarHBondContact O-N 3.13Å
110A96Very high97.4Very high20 Ų2032.5 Ų32.517%0.16517%0.169CC..EExtended strand (participates in β ladder)trans-88.7140.2162.300000109.1T236 V254A110-T236 HydrophobicContact CB-CG2 3.64Å; A110-V254 HydrophobicContact CB-CG1 3.58Å
111A97.5Very high97.4Very high2 Ų232.4 Ų32.42%0.01717%0.169CC..EExtended strand (participates in β ladder)trans-145.3152.3-178.900000112.3Y186 V210 V211 L234 V235 T236A111-Y186 HydrophobicContact CB-CE2 4.13Å; A111-V210 HydrophobicContact CB-CB 3.96Å; A111-V210 HydrophobicContact CB-CG1 4.36Å; A111-V211 CarbonylContact C-O 3.5Å; A111-V211 VanDerWaalsContact CA-O 3.28Å; A111-V211 WeakPolarHBondContact CA-O 3.44Å; A111-V211 WeakPolarHBondContact CB-O 3.31Å; A111-L234 PolarHBondContact N-O 3.4Å; A111-V235 WeakPolarHBondContact O-CA 3.18Å; A111-T236 PolarHBondContact N-OG1 3.46Å; A111-T236 PolarHBondContact O-N 2.76Å; A111-T236 PolarHBondContact O-OG1 3.08Å
112G97.8Very high97.5Very high4 Ų431.4 Ų31.44%0.04116%0.156CC..EExtended strand (participates in β ladder)trans-77.7128.4166.900000110.7L114 V210 V211 N237G112-L114 PolarHBondContact O-N 2.93Å; G112-V210 CarbonylContact O-C 3.59Å; G112-V210 VanDerWaalsContact O-CA 3.24Å; G112-V210 WeakPolarHBondContact O-CA 3.43Å; G112-V211 PolarHBondContact N-O 3.4Å; G112-V211 PolarHBondContact O-N 2.92Å; G112-N237 CarbonylContact C-O 3.53Å; G112-N237 WeakPolarHBondContact CA-O 3.23Å; G112-N237 WeakPolarHBondContact CA-OD1 3.23Å
113G98.1Very high97.5Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-73117.5172.800000110.3R116 N237 S239G113-R116 PolarHBondContact O-NH2 2.93Å; G113-N237 PolarHBondContact N-O 2.96Å; G113-S239 VanDerWaalsContact O-CB 3.29Å; G113-S239 WeakPolarHBondContact O-CB 3.34Å; G113-S239 PolarHBondContact O-N 2.94Å; G113-S239 PolarHBondContact O-OG 2.85Å
114L98.3Very high97.5Very high0 Ų026.1 Ų26.10%013%0.133CC..  trans-90.4-47.2173.6-68.6169000110G112 R116 V187 C200 L203 L204 C208 D209 V211G112-L114 PolarHBondContact O-N 2.93Å; L114-R116 VanDerWaalsContact O-CZ 3.28Å; L114-R116 PolarHBondContact O-N 3.03Å; L114-R116 PolarHBondContact O-NE 3.34Å; L114-R116 PolarHBondContact O-NH2 3.25Å; L114-V187 HydrophobicContact CD1-CG1 3.96Å; L114-C200 HydrophobicContact CD2-CB 3.89Å; L114-L203 HydrophobicContact CD1-CB 3.67Å; L114-L203 HydrophobicContact CD1-CD1 4.47Å; L114-L203 HydrophobicContact CD2-CB 4.33Å; L114-L204 HydrophobicContact CB-CB 4.46Å; L114-L204 HydrophobicContact CB-CD1 4.36Å; L114-C208 HydrophobicContact CD1-CB 3.68Å; L114-D209 WeakPolarHBondContact CB-O 3.42Å; L114-D209 PolarHBondContact N-O 2.8Å; L114-V211 HydrophobicContact CD1-CB 3.96Å; L114-V211 HydrophobicContact CD1-CG1 4.23Å; L114-V211 HydrophobicContact CD2-CG1 4.02Å; L114-V211 HydrophobicContact CG-CB 4.24Å; L114-V211 HydrophobicContact CG-CG1 3.95Å
115N97.8Very high97.5Very high47 Ų4725.2 Ų25.225%0.25113%0.128SC..SBendtrans-66.4123.1179.8-177.2-25.8000110.7S117 L118 D209N115-S117 VanDerWaalsContact CG-OG 3.3Å; N115-S117 PolarHBondContact O-N 2.8Å; N115-S117 VanDerWaalsContact O-N 3.14Å; N115-S117 WeakPolarHBondContact OD1-CB 3.25Å; N115-S117 PolarHBondContact OD1-N 2.97Å; N115-S117 PolarHBondContact OD1-OG 3.24Å; N115-L118 HydrophobicContact CB-CD1 3.98Å; N115-L118 HydrophobicContact CB-CG 4.14Å; N115-L118 WeakPolarHBondContact O-CB 3.49Å; N115-L118 PolarHBondContact O-N 3.19Å; N115-D209 HydrophobicContact CB-CB 4.24Å; N115-D209 PolarHBondContact N-O 2.84Å; N115-D209 VanDerWaalsContact N-O 3.1Å; N115-D209 PolarHBondContact ND2-OD1 2.63Å
116R95.4Very high97.5Very high115 Ų11525.1 Ų25.143%0.43413%0.128SC..THydrogen-bonded Turntrans-68.2-10.5-174.8-62-59.193.51718.3114.8G113 L114 L118 S239 L241G113-R116 PolarHBondContact O-NH2 2.93Å; L114-R116 VanDerWaalsContact O-CZ 3.28Å; L114-R116 PolarHBondContact O-N 3.03Å; L114-R116 PolarHBondContact O-NE 3.34Å; L114-R116 PolarHBondContact O-NH2 3.25Å; R116-L118 VanDerWaalsContact C-N 3.32Å; R116-S239 PolarHBondContact NH1-O 2.87Å; R116-S239 PolarHBondContact NH2-O 3.28Å; R116-L241 HydrophobicContact CG-CD1 4.29Å
117S96.6Very high97.5Very high73 Ų7329.3 Ų29.351%0.5115%0.146SC..THydrogen-bonded Turntrans-77.5-18.6170.964.40000113.4N115N115-S117 VanDerWaalsContact CG-OG 3.3Å; N115-S117 PolarHBondContact O-N 2.8Å; N115-S117 VanDerWaalsContact O-N 3.14Å; N115-S117 WeakPolarHBondContact OD1-CB 3.25Å; N115-S117 PolarHBondContact OD1-N 2.97Å; N115-S117 PolarHBondContact OD1-OG 3.24Å
118L98Very high97.5Very high11 Ų1133.4 Ų33.46%0.05817%0.168CC..  trans-80.3148178.4-60.3172.7000111.5N115 R116 V124 H182 D209 V210 V235N115-L118 HydrophobicContact CB-CD1 3.98Å; N115-L118 HydrophobicContact CB-CG 4.14Å; N115-L118 WeakPolarHBondContact O-CB 3.49Å; N115-L118 PolarHBondContact O-N 3.19Å; R116-L118 VanDerWaalsContact C-N 3.32Å; L118-V124 HydrophobicContact CD1-CG2 3.91Å; L118-V124 HydrophobicContact CD2-CG2 3.78Å; L118-H182 HydrophobicContact CD2-CB 3.93Å; L118-D209 HydrophobicContact CD1-CB 4.45Å; L118-D209 WeakPolarHBondContact CD1-O 3.49Å; L118-V210 HydrophobicContact CD1-CG1 3.82Å; L118-V235 HydrophobicContact CB-CG2 4.35Å; L118-V235 HydrophobicContact CD1-CG2 4.19Å
119K96.6Very high97.6Very high146 Ų14634.6 Ų34.664%0.63517%0.174SC*.  trans-122.3161.1178.7-58.9174.9-173.2174.10110.7G121 D122 V235K119-G121 PolarHBondContact O-N 2.9Å; K119-D122 WeakPolarHBondContact CB-OD2 3.39Å; K119-D122 PolarHBondContact N-OD2 3.14Å; K119-D122 WeakPolarHBondContact O-CB 3.36Å; K119-D122 PolarHBondContact O-N 3.02Å; K119-D122 VanDerWaalsContact O-N 3.12Å; K119-V235 WeakPolarHBondContact O-CB 3.48Å; K119-V235 WeakPolarHBondContact O-CG1 3.38Å
120L95.7Very high97.7Very high98 Ų9836.2 Ų36.251%0.51318%0.182SC..THydrogen-bonded Turntrans-56.5131.1170.8-68.1176.2000110.3D122 T236 N237 I238L120-D122 VanDerWaalsContact C-N 3.35Å; L120-T236 WeakPolarHBondContact CD2-O 3.5Å; L120-N237 VanDerWaalsContact CD2-CA 3.43Å; L120-I238 HydrophobicContact CD2-CD1 4.37Å; L120-I238 HydrophobicContact CD2-CG1 4.01Å; L120-I238 HydrophobicContact CG-CD1 4.5Å; L120-I238 HydrophobicContact CG-CG1 4.05Å
121G96.3Very high97.7Very high1 Ų135.8 Ų35.81%0.0118%0.176CC..THydrogen-bonded Turntrans85.30.9-179.100000115K119 V235 R261K119-G121 PolarHBondContact O-N 2.9Å; G121-V235 PolarHBondContact N-O 2.93Å; G121-R261 PolarHBondContact O-NE 3.42Å
122D98.3Very high97.7Very high8 Ų838.5 Ų38.54%0.04319%0.19CC..  trans-72.9150.8171.6-72.6-12.3000110.9K119 L120 H182 V235K119-D122 WeakPolarHBondContact CB-OD2 3.39Å; K119-D122 PolarHBondContact N-OD2 3.14Å; K119-D122 WeakPolarHBondContact O-CB 3.36Å; K119-D122 PolarHBondContact O-N 3.02Å; K119-D122 VanDerWaalsContact O-N 3.12Å; L120-D122 VanDerWaalsContact C-N 3.35Å; D122-H182 IonicContact OD2-CD2 3.11Å; D122-H182 IonicContact OD2-NE2 2.77Å; D122-H182 PolarHBondContact OD2-NE2 2.93Å; D122-V235 HydrophobicContact CB-CB 4.5Å; D122-V235 HydrophobicContact CB-CG2 4.27Å; D122-V235 PolarHBondContact O-N 3.37Å
123F98.5Very high97.5Very high0 Ų039.3 Ų39.30%019%0.194CC..EExtended strand (participates in β ladder)trans-102.9133.4172.2-59.6-70.6000110.4L180 V181 H182 V232 S233 L234 R261 L264 M265 W268F123-L180 PolarHBondContact N-O 2.84Å; F123-V181 HydrophobicContact CB-CG2 4.37Å; F123-V181 HydrophobicContact CD2-CG2 4.39Å; F123-V181 WeakPolarHBondContact O-CA 3.49Å; F123-H182 PolarHBondContact O-N 3.01Å; F123-V232 HydrophobicContact CB-CG2 3.88Å; F123-V232 HydrophobicContact CD1-CG2 4.33Å; F123-S233 CarbonylContact C-O 3.5Å; F123-S233 WeakPolarHBondContact CA-O 3.38Å; F123-L234 HydrophobicContact CD1-CB 4.37Å; F123-L234 HydrophobicContact CD1-CD1 4Å; F123-L234 HydrophobicContact CE1-CB 4.44Å; F123-L234 HydrophobicContact CE1-CD1 3.78Å; F123-L234 HydrophobicContact CZ-CD1 4.49Å; F123-R261 HydrophobicContact CE1-CB 4.21Å; F123-R261 HydrophobicContact CZ-CB 3.9Å; F123-R261 HydrophobicContact CZ-CG 4.3Å; F123-L264 HydrophobicContact CE2-CD2 3.81Å; F123-L264 HydrophobicContact CE2-CG 4.06Å; F123-L264 HydrophobicContact CZ-CD2 4.42Å; F123-L264 HydrophobicContact CZ-CG 4.4Å; F123-M265 HydrophobicContact CD1-CE 3.73Å; F123-M265 HydrophobicContact CE1-CB 4.01Å; F123-M265 HydrophobicContact CE1-CE 3.42Å; F123-M265 VanDerWaalsContact CE1-CE 3.42Å; F123-M265 HydrophobicContact CE1-CG 4.44Å; F123-M265 HydrophobicContact CZ-CB 4.11Å; F123-W268 HydrophobicContact CB-CH2 4.29Å; F123-W268 HydrophobicContact CB-CZ3 3.73Å; F123-W268 HydrophobicContact CD1-CZ3 4.38Å; F123-W268 HydrophobicContact CD2-CE3 4.43Å; F123-W268 HydrophobicContact CD2-CZ3 4.14Å; F123-W268 HydrophobicContact CG-CE3 4.42Å; F123-W268 AromaticContact CG-CZ3 3.84Å; F123-W268 HydrophobicContact CG-CZ3 3.84Å
124V98.8Very high97.4Very high0 Ų039.9 Ų39.90%020%0.2CC..EExtended strand (participates in β ladder)trans-115107.9174.8-174.50000108.7L118 L126 H182 V210 V232 S233 V235L118-V124 HydrophobicContact CD1-CG2 3.91Å; L118-V124 HydrophobicContact CD2-CG2 3.78Å; V124-L126 HydrophobicContact CG1-CD2 4.31Å; V124-L126 PolarHBondContact O-N 3.14Å; V124-H182 HydrophobicContact CG2-CB 4.42Å; V124-V210 HydrophobicContact CB-CG1 4.25Å; V124-V210 HydrophobicContact CB-CG2 4.33Å; V124-V210 HydrophobicContact CG1-CG2 4.1Å; V124-V210 HydrophobicContact CG2-CG1 3.76Å; V124-V232 CarbonylContact O-C 3.36Å; V124-V232 WeakPolarHBondContact O-CA 3.31Å; V124-S233 PolarHBondContact N-O 3.27Å; V124-S233 PolarHBondContact O-N 3.48Å; V124-V235 HydrophobicContact CG2-CG2 3.91Å
125I98.8Very high97.2Very high0 Ų046.2 Ų46.20%023%0.234CC..EExtended strand (participates in β ladder)trans-67.7122.2168-61.5168.9000107.5K127 R165 A168 V169 V181 H182 Q183 G184 F230 W268I125-K127 PolarHBondContact O-N 2.88Å; I125-R165 HydrophobicContact CG2-CB 3.94Å; I125-R165 HydrophobicContact CG2-CG 3.53Å; I125-A168 HydrophobicContact CD1-CB 3.88Å; I125-V169 HydrophobicContact CD1-CG2 3.59Å; I125-V181 HydrophobicContact CD1-CG1 3.56Å; I125-V181 HydrophobicContact CG1-CG1 3.98Å; I125-H182 PolarHBondContact N-O 3.35Å; I125-Q183 HydrophobicContact CB-CG 4.2Å; I125-Q183 VanDerWaalsContact O-CA 3.31Å; I125-Q183 WeakPolarHBondContact O-CA 3.47Å; I125-G184 PolarHBondContact O-N 2.9Å; I125-F230 HydrophobicContact CD1-CE2 4.49Å; I125-F230 HydrophobicContact CG1-CE2 4.18Å; I125-F230 HydrophobicContact CG1-CZ 4.42Å; I125-F230 HydrophobicContact CG2-CD2 4.49Å; I125-F230 HydrophobicContact CG2-CE2 3.87Å; I125-W268 HydrophobicContact CD1-CH2 3.96Å; I125-W268 HydrophobicContact CD1-CZ2 3.92Å; I125-W268 HydrophobicContact CG1-CH2 3.74Å; I125-W268 HydrophobicContact CG1-CZ2 4.2Å
126L98.8Very high96.9Very high0 Ų046.9 Ų46.90%025%0.252CS..EExtended strand (participates in β ladder)trans-74.7120-177.8-54.9-167.7000109.4V124 Y160 R165 G184 Y186 V210 T215 A231V124-L126 HydrophobicContact CG1-CD2 4.31Å; V124-L126 PolarHBondContact O-N 3.14Å; L126-Y160 HydrophobicContact CB-CD1 3.79Å; L126-Y160 HydrophobicContact CB-CD2 4.47Å; L126-Y160 HydrophobicContact CB-CE1 3.68Å; L126-Y160 HydrophobicContact CB-CE2 4.38Å; L126-Y160 HydrophobicContact CB-CG 4.18Å; L126-Y160 HydrophobicContact CD1-CE1 3.92Å; L126-Y160 HydrophobicContact CG-CE1 4.41Å; L126-Y160 WeakPolarHBondContact O-CB 3.44Å; L126-Y160 VanDerWaalsContact O-CG 3.3Å; L126-R165 WeakPolarHBondContact O-CD 2.73Å; L126-G184 WeakPolarHBondContact CA-O 3.39Å; L126-Y186 HydrophobicContact CD1-CD1 4.38Å; L126-Y186 HydrophobicContact CD1-CD2 4.24Å; L126-Y186 HydrophobicContact CD1-CG 3.86Å; L126-Y186 HydrophobicContact CD2-CD2 4.37Å; L126-Y186 HydrophobicContact CD2-CG 4.37Å; L126-V210 HydrophobicContact CD2-CG2 4.03Å; L126-T215 HydrophobicContact CD1-CG2 4.25Å; L126-A231 HydrophobicContact CB-CB 4.21Å; L126-A231 HydrophobicContact CD1-CB 3.88Å; L126-A231 HydrophobicContact CG-CB 4.1Å; L126-A231 PolarHBondContact N-O 2.69Å
127K98.5Very high96.4Very high89 Ų8948.9 Ų48.939%0.38727%0.27SS..EExtended strand (participates in β ladder)trans-95.8-26.4175.474.5-166.6175.7-164.50112.5I125 R165 G184 V185I125-K127 PolarHBondContact O-N 2.88Å; K127-R165 VanDerWaalsContact CB-NH1 3.32Å; K127-G184 PolarHBondContact N-O 2.91Å; K127-V185 HydrophobicContact CG-CG2 4.43Å
128D98.4Very high96.1Very high86 Ų8648.9 Ų48.946%0.4626%0.264SS..EExtended strand (participates in β ladder)trans-160.2175.6177.5-145.7-24.7000110.6Y160 V185 Y186D128-Y160 VanDerWaalsContact C-CE2 3.47Å; D128-V185 HydrophobicContact CB-CG2 4.28Å; D128-V185 WeakPolarHBondContact O-CA 3.24Å; D128-Y186 PolarHBondContact O-N 3.28Å
129H98.5Very high96Very high25 Ų2550.5 Ų50.512%0.11627%0.273CS..EExtended strand (participates in β ladder)trans-142.6160.917465.9-121.5000115.8Y160 Y186 I216H129-Y160 HydrophobicContact CB-CE2 3.99Å; H129-Y160 WeakPolarHBondContact CB-OH 3.39Å; H129-Y160 AromaticContact CG-CE2 3.96Å; H129-Y160 AromaticContact ND1-CE2 3.29Å; H129-Y160 VanDerWaalsContact ND1-CE2 3.29Å; H129-Y160 WeakPolarHBondContact ND1-CE2 3.17Å; H129-Y160 AromaticContact ND1-CZ 3.42Å; H129-Y160 PolarHBondContact ND1-OH 3.25Å; H129-Y186 CarbonylContact C-O 3.55Å; H129-Y186 WeakPolarHBondContact CA-O 3.38Å; H129-Y186 VanDerWaalsContact CB-O 3.23Å; H129-Y186 WeakPolarHBondContact CB-O 3.39Å; H129-I216 HydrophobicContact CB-CD1 3.62Å; H129-I216 HydrophobicContact CB-CG1 4.05Å
130I98.1Very high96Very high35 Ų3543.9 Ų43.918%0.17924%0.244CC..EExtended strand (participates in β ladder)trans-113.6118.5162.8-57.6-170.1000108.5L132 L135 V185 Y186 V187 M188 M206 C208 I216I130-L132 HydrophobicContact CG2-CD2 3.9Å; I130-L132 HydrophobicContact CG2-CG 4.29Å; I130-L135 HydrophobicContact CG2-CD1 4.24Å; I130-V185 HydrophobicContact CG1-CG1 4.3Å; I130-Y186 PolarHBondContact N-O 2.88Å; I130-V187 HydrophobicContact CB-CB 4.17Å; I130-V187 HydrophobicContact CB-CG2 3.94Å; I130-V187 HydrophobicContact CG2-CG2 4.15Å; I130-V187 WeakPolarHBondContact O-CA 3.29Å; I130-M188 PolarHBondContact O-N 2.92Å; I130-M206 HydrophobicContact CD1-CB 4.41Å; I130-M206 HydrophobicContact CD1-CE 3.85Å; I130-M206 HydrophobicContact CG2-CE 4.35Å; I130-C208 VanDerWaalsContact CD1-SG 3.54Å; I130-I216 WeakPolarHBondContact O-CD1 3.34Å
131Y97.6Very high96Very high12 Ų1241.1 Ų41.15%0.04723%0.23CC..EExtended strand (participates in β ladder)trans-100.881.6-178-170-159.4000111.2M81 P133 G134 L135 N138 M188 I216 P217M81-Y131 WeakPolarHBondContact CE-OH 3.17Å; Y131-P133 HydrophobicContact CD2-CB 4.43Å; Y131-P133 HydrophobicContact CD2-CG 4.4Å; Y131-P133 HydrophobicContact CE2-CB 3.85Å; Y131-P133 HydrophobicContact CE2-CG 4.04Å; Y131-G134 VanDerWaalsContact CD1-CA 3.48Å; Y131-G134 CarbonylContact O-C 3.57Å; Y131-G134 WeakPolarHBondContact O-CA 3.44Å; Y131-G134 PolarHBondContact O-N 3.13Å; Y131-L135 PolarHBondContact O-N 3.37Å; Y131-N138 PolarHBondContact OH-O 3.44Å; Y131-M188 HydrophobicContact CD2-CB 4.29Å; Y131-M188 HydrophobicContact CD2-SD 3.89Å; Y131-M188 HydrophobicContact CE2-CE 4.27Å; Y131-M188 HydrophobicContact CE2-SD 3.58Å; Y131-M188 VanDerWaalsContact CE2-SD 3.58Å; Y131-I216 HydrophobicContact CD1-CG2 3.71Å; Y131-I216 HydrophobicContact CD2-CB 3.98Å; Y131-I216 HydrophobicContact CD2-CD1 4.09Å; Y131-I216 HydrophobicContact CD2-CG2 3.76Å; Y131-I216 HydrophobicContact CE1-CG2 4.31Å; Y131-I216 HydrophobicContact CE2-CB 4.4Å; Y131-I216 HydrophobicContact CE2-CG2 4.33Å; Y131-I216 HydrophobicContact CG-CB 4.19Å; Y131-I216 HydrophobicContact CG-CD1 4.25Å; Y131-I216 HydrophobicContact CG-CG2 3.45Å; Y131-I216 VanDerWaalsContact CG-CG2 3.45Å; Y131-P217 HydrophobicContact CE2-CG 4.37Å
132L96.7Very high95.9Very high58 Ų5845.2 Ų45.230%0.30426%0.255SS..Hα-helixtrans-58.2-47.9-173.7-63.7174.5000113.3I130 G134 L135 G136 V187 M188 L203I130-L132 HydrophobicContact CG2-CD2 3.9Å; I130-L132 HydrophobicContact CG2-CG 4.29Å; L132-G134 PolarHBondContact O-N 3.41Å; L132-L135 PolarHBondContact O-N 2.86Å; L132-G136 PolarHBondContact O-N 3.32Å; L132-V187 HydrophobicContact CD1-CG2 3.86Å; L132-V187 HydrophobicContact CG-CG2 3.88Å; L132-M188 WeakPolarHBondContact CB-O 3.4Å; L132-M188 PolarHBondContact N-O 3.3Å; L132-L203 HydrophobicContact CD1-CD2 4.05Å
133P94.2Very high95.7Very high21 Ų2146.4 Ų46.414%0.13627%0.269CS..Hα-helixtrans-57.7-36.3173.2-24.634.1000112.7Y131 G136 N138 M188Y131-P133 HydrophobicContact CD2-CB 4.43Å; Y131-P133 HydrophobicContact CD2-CG 4.4Å; Y131-P133 HydrophobicContact CE2-CB 3.85Å; Y131-P133 HydrophobicContact CE2-CG 4.04Å; P133-G136 PolarHBondContact O-N 3.16Å; P133-N138 CarbonylContact O-C 3.39Å; P133-N138 VanDerWaalsContact O-C 3.3Å; P133-N138 VanDerWaalsContact O-CA 3.3Å; P133-N138 WeakPolarHBondContact O-CA 3.37Å; P133-N138 WeakPolarHBondContact O-CB 3.49Å; P133-N138 PolarHBondContact O-N 3.29Å; P133-M188 WeakPolarHBondContact CD-O 3.46Å; P133-M188 HydrophobicContact CG-CE 4.43Å
134G95.3Very high95.4Very high12 Ų1252.5 Ų52.512%0.12431%0.308CS..Hα-helixtrans-67.1-39.2177.700000114.4Y131 L132 G136Y131-G134 VanDerWaalsContact CD1-CA 3.48Å; Y131-G134 CarbonylContact O-C 3.57Å; Y131-G134 WeakPolarHBondContact O-CA 3.44Å; Y131-G134 PolarHBondContact O-N 3.13Å; L132-G134 PolarHBondContact O-N 3.41Å; G134-G136 VanDerWaalsContact C-N 3.32Å
135L94.8Very high95.2Very high134 Ų13454.4 Ų54.470%0.70232%0.318SS*.Hα-helixtrans-69.4-32.2174.5-67.2175.1000111.4I130 Y131 L132 L137I130-L135 HydrophobicContact CG2-CD1 4.24Å; Y131-L135 PolarHBondContact O-N 3.37Å; L132-L135 PolarHBondContact O-N 2.86Å; L135-L137 PolarHBondContact O-N 3Å
136G90.2Very high95Very high61 Ų6156.1 Ų56.163%0.62933%0.327SS*.THydrogen-bonded Turntrans-81.630.2177.100000115.7L132 P133 G134 N138L132-G136 PolarHBondContact O-N 3.32Å; P133-G136 PolarHBondContact O-N 3.16Å; G134-G136 VanDerWaalsContact C-N 3.32Å; G136-N138 PolarHBondContact O-N 3.22Å
137L85.7Confident94.8Very high157 Ų15763.7 Ų63.782%0.82236%0.362SS*.THydrogen-bonded Turntrans6510.7-178.2-58.3175.3000116.5L135 V142L135-L137 PolarHBondContact O-N 3Å; L137-V142 WeakPolarHBondContact O-CG2 3.19Å
138N90.8Very high94.6Very high73 Ų7364.1 Ų64.139%0.3937%0.365SS..  trans-108.747.6170.2-167.126.5000111.8N87 Y131 P133 G136N87-N138 PolarHBondContact ND2-OD1 3.41Å; N87-N138 VanDerWaalsContact ND2-OD1 3.11Å; Y131-N138 PolarHBondContact OH-O 3.44Å; P133-N138 CarbonylContact O-C 3.39Å; P133-N138 VanDerWaalsContact O-C 3.3Å; P133-N138 VanDerWaalsContact O-CA 3.3Å; P133-N138 WeakPolarHBondContact O-CA 3.37Å; P133-N138 WeakPolarHBondContact O-CB 3.49Å; P133-N138 PolarHBondContact O-N 3.29Å; G136-N138 PolarHBondContact O-N 3.22Å
139N95.5Very high94.5Very high45 Ų4560.9 Ų60.924%0.24135%0.347CS..  trans-67.1141.7171.8-170.5-64.6000109.9N87 L141 V142N87-N139 PolarHBondContact ND2-O 2.99Å; N139-L141 PolarHBondContact O-N 3.48Å; N139-L141 PolarHBondContact OD1-N 3.38Å; N139-V142 HydrophobicContact CB-CG2 4.02Å; N139-V142 VanDerWaalsContact O-CB 3.31Å; N139-V142 WeakPolarHBondContact O-CB 3.43Å; N139-V142 WeakPolarHBondContact O-CG2 3.43Å; N139-V142 PolarHBondContact O-N 2.97Å
140I96.1Very high94.4Very high6 Ų660.4 Ų60.43%0.03135%0.349CS..THydrogen-bonded Turntrans-57.9-20.5-179.9-165.567000113.1M81 N87 V90 A91 P217 V220 I221M81-I140 HydrophobicContact CE-CB 4.48Å; M81-I140 HydrophobicContact CE-CD1 3.7Å; N87-I140 HydrophobicContact CB-CD1 3.72Å; N87-I140 VanDerWaalsContact O-CD1 3.27Å; N87-I140 WeakPolarHBondContact O-CD1 3.36Å; V90-I140 HydrophobicContact CB-CD1 3.94Å; V90-I140 HydrophobicContact CG1-CD1 4.09Å; A91-I140 HydrophobicContact CB-CG1 4.39Å; I140-P217 HydrophobicContact CB-CB 4.22Å; I140-P217 HydrophobicContact CD1-CB 3.93Å; I140-P217 HydrophobicContact CG1-CB 3.96Å; I140-V220 HydrophobicContact CG2-CB 3.72Å; I140-V220 HydrophobicContact CG2-CG1 3.5Å; I140-I221 HydrophobicContact CG1-CD1 3.95Å; I140-I221 HydrophobicContact CG1-CG1 3.85Å; I140-I221 HydrophobicContact CG2-CD1 3.94Å; I140-I221 HydrophobicContact CG2-CG1 4.02Å
141L96.1Very high94.4Very high41 Ų4163 Ų6322%0.21537%0.367CS..THydrogen-bonded Turntrans-95.98177.1-63.7176000114.4N139 G143 P154 V220 I221 H224N139-L141 PolarHBondContact O-N 3.48Å; N139-L141 PolarHBondContact OD1-N 3.38Å; L141-G143 PolarHBondContact O-N 3.38Å; L141-P154 HydrophobicContact CD1-CG 3.54Å; L141-V220 HydrophobicContact CD1-CG1 3.72Å; L141-V220 HydrophobicContact CG-CG1 3.97Å; L141-I221 HydrophobicContact CD2-CD1 3.55Å; L141-I221 HydrophobicContact CG-CD1 4.38Å; L141-H224 HydrophobicContact CD1-CB 4.25Å; L141-H224 HydrophobicContact CD2-CB 4.36Å
142V94.7Very high94.4Very high86 Ų8667.9 Ų67.952%0.52139%0.385SS..  trans-61.3134.2173168.80000110L137 N139L137-V142 WeakPolarHBondContact O-CG2 3.19Å; N139-V142 HydrophobicContact CB-CG2 4.02Å; N139-V142 VanDerWaalsContact O-CB 3.31Å; N139-V142 WeakPolarHBondContact O-CB 3.43Å; N139-V142 WeakPolarHBondContact O-CG2 3.43Å; N139-V142 PolarHBondContact O-N 2.97Å
143G92.6Very high94.3Very high33 Ų3373.3 Ų73.334%0.3441%0.407SS..SBendtrans117.4-167.6-175.900000112.6L141 R152L141-G143 PolarHBondContact O-N 3.38Å; G143-R152 PolarHBondContact O-NH1 3.04Å; G143-R152 PolarHBondContact O-NH2 3.28Å
144P93.2Very high94.5Very high128 Ų12873.9 Ų73.983%0.83141%0.41SS*.SBendtrans-63141.9173.5-22.434.7000112.2
145N95.4Very high94.5Very high40 Ų4077 Ų7721%0.21444%0.435CS..  trans-72.3146.4176.8-172.944.3000110.9E147 G150 R152 H224N145-E147 WeakPolarHBondContact ND2-CG 3.29Å; N145-G150 PolarHBondContact ND2-O 2.96Å; N145-R152 HydrophobicContact CB-CB 4.44Å; N145-R152 PolarHBondContact ND2-N 2.96Å; N145-H224 PolarHBondContact OD1-NE2 3.07Å; N145-H224 VanDerWaalsContact OD1-NE2 3.07Å
146Q93.9Very high94.6Very high37 Ų3772.9 Ų72.917%0.17341%0.413CS..  trans-100.182.4169.3-66.8-164.2-90.100109.4E148 F149 G150Q146-E148 WeakPolarHBondContact CB-OE1 3.12Å; Q146-E148 PolarHBondContact NE2-OE1 3.07Å; Q146-E148 PolarHBondContact O-N 3.24Å; Q146-E148 VanDerWaalsContact O-N 3.14Å; Q146-F149 HydrophobicContact CB-CD2 3.95Å; Q146-F149 PolarHBondContact O-N 3.3Å; Q146-G150 PolarHBondContact O-N 3.32Å
147E95.2Very high94.9Very high159 Ų15975 Ų7574%0.74342%0.418SS*.THydrogen-bonded Turntrans-57.8-27.9-173.2-69.3-177.4177.300113.5N145 F149 G150N145-E147 WeakPolarHBondContact ND2-CG 3.29Å; E147-F149 PolarHBondContact O-N 3.02Å; E147-G150 PolarHBondContact O-N 2.93Å
148E94.1Very high95.4Very high98 Ų9871.2 Ų71.246%0.45840%0.399SS..THydrogen-bonded Turntrans-63.9-19.917665.9-82.5-176.300114.4M1 Q146M1-E148 HydrophobicContact CE-CG 3.75Å; M1-E148 HydrophobicContact CG-CG 4.21Å; M1-E148 WeakPolarHBondContact CG-OE1 2.79Å; M1-E148 HydrophobicContact SD-CG 3.73Å; Q146-E148 WeakPolarHBondContact CB-OE1 3.12Å; Q146-E148 PolarHBondContact NE2-OE1 3.07Å; Q146-E148 PolarHBondContact O-N 3.24Å; Q146-E148 VanDerWaalsContact O-N 3.14Å
149F96.3Very high95.8Very high17 Ų1767.8 Ų67.88%0.07538%0.381CS..THydrogen-bonded Turntrans-103.5-31.5176.5-69.2-71.4000113.1M1 V4 R95 K98 L99 Q146 E147 C225M1-F149 HydrophobicContact CE-CE2 4.44Å; M1-F149 HydrophobicContact SD-CD2 4.34Å; M1-F149 HydrophobicContact SD-CE2 3.37Å; M1-F149 WeakPolarHBondContact SD-CE2 3.39Å; M1-F149 HydrophobicContact SD-CZ 3.85Å; V4-F149 HydrophobicContact CG1-CZ 4.03Å; R95-F149 HydrophobicContact CB-CE1 4.19Å; R95-F149 HydrophobicContact CB-CE2 4.36Å; R95-F149 HydrophobicContact CB-CZ 3.94Å; R95-F149 HydrophobicContact CG-CE2 4.33Å; R95-F149 HydrophobicContact CG-CZ 4.38Å; K98-F149 HydrophobicContact CB-CD1 4.49Å; K98-F149 HydrophobicContact CB-CE1 4.44Å; K98-F149 HydrophobicContact CG-CD1 4.08Å; K98-F149 HydrophobicContact CG-CE1 4.33Å; L99-F149 HydrophobicContact CD1-CZ 4.46Å; L99-F149 HydrophobicContact CD2-CE1 3.8Å; L99-F149 HydrophobicContact CD2-CZ 4.2Å; L99-F149 HydrophobicContact CG-CE1 4.04Å; L99-F149 HydrophobicContact CG-CZ 4.27Å; Q146-F149 HydrophobicContact CB-CD2 3.95Å; Q146-F149 PolarHBondContact O-N 3.3Å; E147-F149 PolarHBondContact O-N 3.02Å; F149-C225 WeakPolarHBondContact O-CA 3.18Å
150G96.8Very high95.9Very high16 Ų1665.7 Ų65.717%0.16537%0.37CS..  trans-179.9172-17300000115.1N145 Q146 E147 H224N145-G150 PolarHBondContact ND2-O 2.96Å; Q146-G150 PolarHBondContact O-N 3.32Å; E147-G150 PolarHBondContact O-N 2.93Å; G150-H224 VanDerWaalsContact C-NE2 3.31Å; G150-H224 VanDerWaalsContact CA-O 3.25Å; G150-H224 WeakPolarHBondContact CA-O 3.36Å; G150-H224 PolarHBondContact N-CE1 3.3Å; G150-H224 PolarHBondContact O-NE2 2.95Å
151T97Very high96.1Very high88 Ų8865.9 Ų65.954%0.5437%0.371SS..  trans-64.6156178.9-179.10000112.7F153 P154 H224T151-F153 PolarHBondContact O-N 3.4Å; T151-P154 HydrophobicContact CG2-CB 4.15Å; T151-H224 PolarHBondContact O-CD2 2.97Å; T151-H224 PolarHBondContact O-NE2 3.16Å
152R97.1Very high96.2Very high116 Ų11670.1 Ų70.144%0.43838%0.384SS..SBendtrans-59.7-35174.4177.863.2-177.3-175.80.9112.9G143 N145 P154G143-R152 PolarHBondContact O-NH1 3.04Å; G143-R152 PolarHBondContact O-NH2 3.28Å; N145-R152 HydrophobicContact CB-CB 4.44Å; N145-R152 PolarHBondContact ND2-N 2.96Å; R152-P154 WeakPolarHBondContact O-CD 3.43Å
153F96.4Very high96.3Very high172 Ų17270 Ų7075%0.75438%0.38SS*.SBendtrans-125.775.7-173.1-54.3-66.3000109.9T151T151-F153 PolarHBondContact O-N 3.4Å
154P96.5Very high96.6Very high32 Ų3269 Ų6921%0.20837%0.367CS..  trans-70.1132.9-179.929.7-34.7000110.5L141 T151 R152 H224L141-P154 HydrophobicContact CD1-CG 3.54Å; T151-P154 HydrophobicContact CG2-CB 4.15Å; R152-P154 WeakPolarHBondContact O-CD 3.43Å; P154-H224 HydrophobicContact CG-CB 4.48Å
155A96.4Very high96.9Very high77 Ų7764.9 Ų64.964%0.63634%0.335SS*.  trans-75.3132.5168.900000109.9
156L97.3Very high97Very high48 Ų4869.1 Ų69.125%0.25135%0.352SS..  trans-101.35.3174.8-64.1176.7000112.8N158 A159 V220 R223L156-N158 PolarHBondContact O-N 3.22Å; L156-A159 HydrophobicContact CB-CB 4.19Å; L156-A159 HydrophobicContact CD2-CB 4.32Å; L156-A159 WeakPolarHBondContact O-CB 3.48Å; L156-A159 PolarHBondContact O-N 3.46Å; L156-V220 HydrophobicContact CD1-CG2 3.79Å; L156-V220 HydrophobicContact CD2-CG2 4.3Å; L156-R223 HydrophobicContact CD2-CB 3.89Å; L156-R223 HydrophobicContact CD2-CG 4.19Å
157S95.8Very high97.3Very high106 Ų10668.6 Ų68.674%0.74135%0.35SS*.THydrogen-bonded Turntrans-55.1126.9164.7-53.20000109A159S157-A159 VanDerWaalsContact C-N 3.29Å; S157-A159 PolarHBondContact O-N 3.25Å
158N96.7Very high97.4Very high77 Ų7761 Ų6141%0.41232%0.315SS..THydrogen-bonded Turntrans57.140.4-170.9-167.756.9000112.6L156 Y160 R162 R223L156-N158 PolarHBondContact O-N 3.22Å; N158-Y160 PolarHBondContact O-N 3.11Å; N158-Y160 PolarHBondContact OD1-O 2.76Å; N158-R162 PolarHBondContact OD1-N 3.46Å; N158-R223 PolarHBondContact O-NH2 3.43Å
159A98.4Very high97.6Very high2 Ų257.9 Ų57.92%0.01730%0.302CS..SBendtrans-58.6-36170.100000111.3L156 S157 V219 R223 V229L156-A159 HydrophobicContact CB-CB 4.19Å; L156-A159 HydrophobicContact CD2-CB 4.32Å; L156-A159 WeakPolarHBondContact O-CB 3.48Å; L156-A159 PolarHBondContact O-N 3.46Å; S157-A159 VanDerWaalsContact C-N 3.29Å; S157-A159 PolarHBondContact O-N 3.25Å; A159-V219 HydrophobicContact CB-CG1 4.04Å; A159-R223 HydrophobicContact CB-CG 4.08Å; A159-R223 VanDerWaalsContact O-CD 3.3Å; A159-R223 WeakPolarHBondContact O-CD 3.32Å; A159-V229 WeakPolarHBondContact O-CB 3.43Å
160Y98.8Very high97.8Very high1 Ų161.4 Ų61.40%0.00432%0.319CS..SBendtrans-99.4109.7171-53.2-82.5000109.2L126 D128 H129 N158 R162 V219 A231L126-Y160 HydrophobicContact CB-CD1 3.79Å; L126-Y160 HydrophobicContact CB-CD2 4.47Å; L126-Y160 HydrophobicContact CB-CE1 3.68Å; L126-Y160 HydrophobicContact CB-CE2 4.38Å; L126-Y160 HydrophobicContact CB-CG 4.18Å; L126-Y160 HydrophobicContact CD1-CE1 3.92Å; L126-Y160 HydrophobicContact CG-CE1 4.41Å; L126-Y160 WeakPolarHBondContact O-CB 3.44Å; L126-Y160 VanDerWaalsContact O-CG 3.3Å; D128-Y160 VanDerWaalsContact C-CE2 3.47Å; H129-Y160 HydrophobicContact CB-CE2 3.99Å; H129-Y160 WeakPolarHBondContact CB-OH 3.39Å; H129-Y160 AromaticContact CG-CE2 3.96Å; H129-Y160 AromaticContact ND1-CE2 3.29Å; H129-Y160 VanDerWaalsContact ND1-CE2 3.29Å; H129-Y160 WeakPolarHBondContact ND1-CE2 3.17Å; H129-Y160 AromaticContact ND1-CZ 3.42Å; H129-Y160 PolarHBondContact ND1-OH 3.25Å; N158-Y160 PolarHBondContact O-N 3.11Å; N158-Y160 PolarHBondContact OD1-O 2.76Å; Y160-R162 PolarHBondContact O-N 3.35Å; Y160-R162 VanDerWaalsContact O-N 3.16Å; Y160-V219 HydrophobicContact CE1-CG1 4.16Å; Y160-V219 HydrophobicContact CE1-CG2 3.8Å; Y160-A231 HydrophobicContact CD1-CB 3.73Å; Y160-A231 HydrophobicContact CE1-CB 3.58Å
161D98.5Very high97.8Very high10 Ų1060.6 Ų60.65%0.05331%0.311CS..  trans-60.7116.9-167.6-173.4-77.4000111.7D163 L164 R165 Q228 V229D161-D163 VanDerWaalsContact C-N 3.26Å; D161-D163 PolarHBondContact O-N 3.47Å; D161-D163 PolarHBondContact OD1-N 3.25Å; D161-L164 HydrophobicContact CB-CB 4.11Å; D161-L164 HydrophobicContact CB-CD1 3.86Å; D161-L164 HydrophobicContact CB-CG 3.91Å; D161-L164 PolarHBondContact O-N 3.3Å; D161-L164 PolarHBondContact OD1-N 3.2Å; D161-R165 WeakPolarHBondContact O-CG 3.22Å; D161-R165 PolarHBondContact O-N 2.98Å; D161-Q228 HydrophobicContact CB-CB 4.45Å; D161-Q228 PolarHBondContact OD2-NE2 3.41Å; D161-V229 PolarHBondContact N-O 3.23Å
162R98.3Very high97.9Very high129 Ų12956.4 Ų56.449%0.48729%0.285SS..Hα-helixtrans-51.6-41.6-178.1-176.7-167.568.3-157.2-7.8113.5N158 Y160 R165 K166N158-R162 PolarHBondContact OD1-N 3.46Å; Y160-R162 PolarHBondContact O-N 3.35Å; Y160-R162 VanDerWaalsContact O-N 3.16Å; R162-R165 PolarHBondContact O-N 2.8Å; R162-K166 WeakPolarHBondContact O-CG 3.49Å; R162-K166 PolarHBondContact O-N 3.04Å
163D98.2Very high98Very high84 Ų8457.1 Ų57.145%0.44929%0.293SS..Hα-helixtrans-79.1-35-171.9-60.2-24.4000110.1D161 R165 K166 L167D161-D163 VanDerWaalsContact C-N 3.26Å; D161-D163 PolarHBondContact O-N 3.47Å; D161-D163 PolarHBondContact OD1-N 3.25Å; D163-R165 VanDerWaalsContact C-N 3.35Å; D163-R165 PolarHBondContact O-N 2.97Å; D163-K166 PolarHBondContact O-N 3.37Å; D163-L167 WeakPolarHBondContact O-CB 3.46Å; D163-L167 PolarHBondContact O-N 3.41Å
164L98.5Very high98.1Very high12 Ų1253.5 Ų53.56%0.06328%0.278CS..Hα-helixtrans-60.9-40.6167.2-62.9-177.2000112.5I104 D161 L167 A168 Q228 F230 L276I104-L164 HydrophobicContact CG2-CD1 3.88Å; D161-L164 HydrophobicContact CB-CB 4.11Å; D161-L164 HydrophobicContact CB-CD1 3.86Å; D161-L164 HydrophobicContact CB-CG 3.91Å; D161-L164 PolarHBondContact O-N 3.3Å; D161-L164 PolarHBondContact OD1-N 3.2Å; L164-L167 PolarHBondContact O-N 3.43Å; L164-A168 WeakPolarHBondContact O-CB 3.46Å; L164-A168 PolarHBondContact O-N 2.92Å; L164-Q228 HydrophobicContact CD1-CB 4.17Å; L164-F230 HydrophobicContact CB-CB 4.07Å; L164-F230 HydrophobicContact CB-CD2 4.43Å; L164-F230 HydrophobicContact CD1-CB 3.92Å; L164-L276 HydrophobicContact CD2-CD2 3.43Å; L164-L276 VanDerWaalsContact CD2-CD2 3.43Å
165R98.8Very high98.2Very high42 Ų4255 Ų5516%0.15829%0.285CS..Hα-helixtrans-63.4-45.2176.5-66.6-170.5-61.1120.4-9.1112I125 L126 K127 D161 R162 D163 A168 V169I125-R165 HydrophobicContact CG2-CB 3.94Å; I125-R165 HydrophobicContact CG2-CG 3.53Å; L126-R165 WeakPolarHBondContact O-CD 2.73Å; K127-R165 VanDerWaalsContact CB-NH1 3.32Å; D161-R165 WeakPolarHBondContact O-CG 3.22Å; D161-R165 PolarHBondContact O-N 2.98Å; R162-R165 PolarHBondContact O-N 2.8Å; D163-R165 VanDerWaalsContact C-N 3.35Å; D163-R165 PolarHBondContact O-N 2.97Å; R165-A168 PolarHBondContact O-N 3.16Å; R165-V169 WeakPolarHBondContact O-CG2 3.44Å; R165-V169 PolarHBondContact O-N 3.45Å
166K98.6Very high98.2Very high128 Ų12854.4 Ų54.456%0.55729%0.287SS*.Hα-helixtrans-59.6-46.5176.6-75.2177.6177-177.70111.5R162 D163 A168 V169 Q170R162-K166 WeakPolarHBondContact O-CG 3.49Å; R162-K166 PolarHBondContact O-N 3.04Å; D163-K166 PolarHBondContact O-N 3.37Å; K166-A168 VanDerWaalsContact C-N 3.32Å; K166-A168 PolarHBondContact O-N 3.33Å; K166-V169 PolarHBondContact O-N 2.6Å; K166-Q170 PolarHBondContact O-N 2.82Å
167L98.6Very high98.3Very high27 Ų2752.8 Ų52.814%0.14128%0.278CS..Hα-helixtrans-58.9-44.4176.7178.261000111.4D163 L164 V169 Q170 V171 I272 K275 L276D163-L167 WeakPolarHBondContact O-CB 3.46Å; D163-L167 PolarHBondContact O-N 3.41Å; L164-L167 PolarHBondContact O-N 3.43Å; L167-V169 PolarHBondContact O-N 3.17Å; L167-Q170 PolarHBondContact O-N 3.1Å; L167-V171 HydrophobicContact CD1-CG2 4.1Å; L167-V171 HydrophobicContact CG-CG2 4.42Å; L167-V171 VanDerWaalsContact O-CG2 3.3Å; L167-V171 WeakPolarHBondContact O-CG2 3.46Å; L167-V171 PolarHBondContact O-N 3.36Å; L167-I272 HydrophobicContact CD2-CG2 4.18Å; L167-K275 HydrophobicContact CD1-CB 3.81Å; L167-K275 HydrophobicContact CD1-CD 4.19Å; L167-K275 HydrophobicContact CD2-CB 4.27Å; L167-L276 HydrophobicContact CD2-CD2 3.97Å
168A98.7Very high98.4Very high0 Ų049 Ų490%026%0.255CS..Hα-helixtrans-62.3-42.1179.400000113I125 L164 R165 K166 V171 A172 F230 W268 I272I125-A168 HydrophobicContact CD1-CB 3.88Å; L164-A168 WeakPolarHBondContact O-CB 3.46Å; L164-A168 PolarHBondContact O-N 2.92Å; R165-A168 PolarHBondContact O-N 3.16Å; K166-A168 VanDerWaalsContact C-N 3.32Å; K166-A168 PolarHBondContact O-N 3.33Å; A168-V171 PolarHBondContact O-N 2.98Å; A168-A172 PolarHBondContact O-N 3.16Å; A168-F230 HydrophobicContact CB-CD2 4.24Å; A168-F230 HydrophobicContact CB-CE2 3.32Å; A168-F230 HydrophobicContact CB-CZ 3.52Å; A168-W268 HydrophobicContact CB-CZ2 3.89Å; A168-W268 WeakPolarHBondContact O-CZ2 3.44Å; A168-W268 PolarHBondContact O-NE1 3.25Å; A168-I272 HydrophobicContact CB-CD1 3.69Å; A168-I272 HydrophobicContact CB-CG1 4.23Å
169V98.8Very high98.4Very high32 Ų3251.1 Ų51.119%0.19427%0.266CS..Hα-helixtrans-61-50.6174173.40000110.6I125 R165 K166 L167 V171 A172 E173 Q183I125-V169 HydrophobicContact CD1-CG2 3.59Å; R165-V169 WeakPolarHBondContact O-CG2 3.44Å; R165-V169 PolarHBondContact O-N 3.45Å; K166-V169 PolarHBondContact O-N 2.6Å; L167-V169 PolarHBondContact O-N 3.17Å; V169-V171 VanDerWaalsContact C-N 3.32Å; V169-V171 PolarHBondContact O-N 2.98Å; V169-A172 WeakPolarHBondContact O-CB 3.31Å; V169-A172 PolarHBondContact O-N 3.35Å; V169-E173 HydrophobicContact CG1-CG 4.5Å; V169-E173 PolarHBondContact O-N 3.32Å; V169-Q183 HydrophobicContact CG2-CG 4.34Å
170Q98.7Very high98.4Very high90 Ų9052.4 Ų52.442%0.42127%0.273SS..Hα-helixtrans-55.7-46.9178.4178.2-175.5-10.700111.6K166 L167 A172 E173 E174K166-Q170 PolarHBondContact O-N 2.82Å; L167-Q170 PolarHBondContact O-N 3.1Å; Q170-A172 VanDerWaalsContact C-N 3.29Å; Q170-A172 PolarHBondContact O-N 3.24Å; Q170-E173 PolarHBondContact O-N 2.91Å; Q170-E174 HydrophobicContact CG-CG 4.31Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.32Å; Q170-E174 PolarHBondContact NE2-OE1 3.38Å; Q170-E174 WeakPolarHBondContact O-CB 3.44Å; Q170-E174 VanDerWaalsContact O-CG 3.31Å; Q170-E174 WeakPolarHBondContact O-CG 3.42Å; Q170-E174 PolarHBondContact O-N 2.86Å
171V98.7Very high98.4Very high0 Ų053.3 Ų53.30%028%0.278CS..Hα-helixtrans-62.1-37.6178.6172.40000111.3L167 A168 V169 N175 K271 I272 K275L167-V171 HydrophobicContact CD1-CG2 4.1Å; L167-V171 HydrophobicContact CG-CG2 4.42Å; L167-V171 VanDerWaalsContact O-CG2 3.3Å; L167-V171 WeakPolarHBondContact O-CG2 3.46Å; L167-V171 PolarHBondContact O-N 3.36Å; A168-V171 PolarHBondContact O-N 2.98Å; V169-V171 VanDerWaalsContact C-N 3.32Å; V169-V171 PolarHBondContact O-N 2.98Å; V171-N175 WeakPolarHBondContact O-CB 3.46Å; V171-N175 PolarHBondContact O-N 2.94Å; V171-N175 PolarHBondContact O-ND2 3.21Å; V171-K271 HydrophobicContact CG1-CB 3.46Å; V171-K271 VanDerWaalsContact CG1-CB 3.46Å; V171-K271 HydrophobicContact CG1-CD 4.42Å; V171-I272 HydrophobicContact CB-CG1 4.28Å; V171-I272 HydrophobicContact CG1-CG1 4.33Å; V171-I272 HydrophobicContact CG2-CG1 4.32Å; V171-K275 HydrophobicContact CG2-CD 3.98Å
172A98.7Very high98.4Very high0 Ų055.6 Ų55.60%029%0.289CS..Hα-helixtrans-66.7-41.3177.600000112.5A168 V169 Q170 N175 G176 F177 G178 V181 W268A168-A172 PolarHBondContact O-N 3.16Å; V169-A172 WeakPolarHBondContact O-CB 3.31Å; V169-A172 PolarHBondContact O-N 3.35Å; Q170-A172 VanDerWaalsContact C-N 3.29Å; Q170-A172 PolarHBondContact O-N 3.24Å; A172-N175 PolarHBondContact O-N 2.85Å; A172-G176 PolarHBondContact O-N 3.15Å; A172-F177 HydrophobicContact CB-CD2 3.95Å; A172-F177 HydrophobicContact CB-CE2 3.53Å; A172-F177 HydrophobicContact CB-CZ 3.92Å; A172-F177 PolarHBondContact O-N 2.88Å; A172-F177 VanDerWaalsContact O-N 3.1Å; A172-G178 PolarHBondContact O-N 2.95Å; A172-G178 VanDerWaalsContact O-N 3.15Å; A172-V181 HydrophobicContact CB-CB 4.15Å; A172-V181 HydrophobicContact CB-CG1 4.45Å; A172-V181 HydrophobicContact CB-CG2 3.63Å; A172-W268 HydrophobicContact CB-CZ2 4.2Å
173E98.5Very high98.4Very high131 Ų13153.5 Ų53.561%0.61228%0.284SS*.Hα-helixtrans-64.1-50176.3-69.5175.4172.300111.7V169 Q170 N175 G176V169-E173 HydrophobicContact CG1-CG 4.5Å; V169-E173 PolarHBondContact O-N 3.32Å; Q170-E173 PolarHBondContact O-N 2.91Å; E173-N175 PolarHBondContact O-N 3.2Å; E173-N175 VanDerWaalsContact O-N 3.07Å; E173-G176 PolarHBondContact O-N 2.93Å
174E98.4Very high98.4Very high95 Ų9549.5 Ų49.544%0.44426%0.263SS..Hα-helixtrans-59-23.2179.1-73.5173.3172.100113.4Q170 K275Q170-E174 HydrophobicContact CG-CG 4.31Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.32Å; Q170-E174 PolarHBondContact NE2-OE1 3.38Å; Q170-E174 WeakPolarHBondContact O-CB 3.44Å; Q170-E174 VanDerWaalsContact O-CG 3.31Å; Q170-E174 WeakPolarHBondContact O-CG 3.42Å; Q170-E174 PolarHBondContact O-N 2.86Å; E174-K275 VanDerWaalsContact CD-NZ 3.29Å; E174-K275 IonicContact OE1-NZ 3.67Å; E174-K275 PolarHBondContact OE1-NZ 3.1Å; E174-K275 VanDerWaalsContact OE1-NZ 3.16Å; E174-K275 WeakPolarHBondContact OE2-CE 3.23Å; E174-K275 IonicContact OE2-NZ 3.08Å; E174-K275 PolarHBondContact OE2-NZ 2.92Å
175N98.2Very high98.4Very high63 Ų6350.1 Ų50.134%0.33727%0.267SS..THydrogen-bonded Turntrans-108.112.4-177.7-69.2-84.1000113.3V171 A172 E173 F177 K271V171-N175 WeakPolarHBondContact O-CB 3.46Å; V171-N175 PolarHBondContact O-N 2.94Å; V171-N175 PolarHBondContact O-ND2 3.21Å; A172-N175 PolarHBondContact O-N 2.85Å; E173-N175 PolarHBondContact O-N 3.2Å; E173-N175 VanDerWaalsContact O-N 3.07Å; N175-F177 HydrophobicContact CB-CD1 3.89Å; N175-F177 HydrophobicContact CB-CE1 3.55Å; N175-F177 PolarHBondContact O-N 3.28Å; N175-K271 WeakPolarHBondContact OD1-CD 3.32Å; N175-K271 WeakPolarHBondContact OD1-CE 3.36Å; N175-K271 PolarHBondContact OD1-NZ 3.34Å
176G97.8Very high98.4Very high66 Ų6648.1 Ų48.168%0.6826%0.26SS*.THydrogen-bonded Turntrans76.917.7166.900000115.7A172 E173A172-G176 PolarHBondContact O-N 3.15Å; E173-G176 PolarHBondContact O-N 2.93Å
177F98Very high98.4Very high14 Ų1442 Ų426%0.06123%0.233CC..  trans-126.116.5177.267.2-91.1000113.6A172 N175 N179 L180 V181 L264 W268A172-F177 HydrophobicContact CB-CD2 3.95Å; A172-F177 HydrophobicContact CB-CE2 3.53Å; A172-F177 HydrophobicContact CB-CZ 3.92Å; A172-F177 PolarHBondContact O-N 2.88Å; A172-F177 VanDerWaalsContact O-N 3.1Å; N175-F177 HydrophobicContact CB-CD1 3.89Å; N175-F177 HydrophobicContact CB-CE1 3.55Å; N175-F177 PolarHBondContact O-N 3.28Å; F177-N179 PolarHBondContact O-N 2.95Å; F177-N179 VanDerWaalsContact O-N 3.1Å; F177-L180 HydrophobicContact CB-CD1 4.29Å; F177-L180 WeakPolarHBondContact O-CB 3.35Å; F177-L180 PolarHBondContact O-N 3.4Å; F177-V181 HydrophobicContact CD2-CG2 3.95Å; F177-V181 HydrophobicContact CE2-CG2 3.98Å; F177-L264 HydrophobicContact CD1-CD1 3.81Å; F177-L264 HydrophobicContact CD2-CD1 4.25Å; F177-L264 HydrophobicContact CD2-CD2 4.41Å; F177-L264 HydrophobicContact CE1-CD1 3.95Å; F177-L264 HydrophobicContact CE2-CD1 4.39Å; F177-L264 HydrophobicContact CG-CD1 3.97Å; F177-L264 HydrophobicContact CG-CD2 4.45Å; F177-L264 HydrophobicContact CZ-CD1 4.25Å; F177-W268 HydrophobicContact CE2-CB 4.29Å; F177-W268 AromaticContact CE2-CD2 3.87Å; F177-W268 HydrophobicContact CE2-CD2 3.87Å; F177-W268 HydrophobicContact CE2-CE3 4.26Å; F177-W268 AromaticContact CE2-CG 3.89Å; F177-W268 HydrophobicContact CE2-CG 3.89Å; F177-W268 HydrophobicContact CZ-CB 3.77Å; F177-W268 AromaticContact CZ-CD1 3.66Å; F177-W268 HydrophobicContact CZ-CD2 4.05Å; F177-W268 AromaticContact CZ-CG 3.56Å; F177-W268 HydrophobicContact CZ-CG 3.56Å
178G98.1Very high98.4Very high25 Ų2540.8 Ų40.826%0.25823%0.227SC..G310 helixtrans-56.1-26177.900000114.1A172 L180 V181A172-G178 PolarHBondContact O-N 2.95Å; A172-G178 VanDerWaalsContact O-N 3.15Å; G178-L180 PolarHBondContact O-N 2.99Å; G178-V181 PolarHBondContact O-N 2.82Å; G178-V181 VanDerWaalsContact O-N 3.08Å
179N97.8Very high98.2Very high123 Ų12341.8 Ų41.866%0.65823%0.232SC*.G310 helixtrans-67.1-14.6175.167.7-61.8000114.4F177F177-N179 PolarHBondContact O-N 2.95Å; F177-N179 VanDerWaalsContact O-N 3.1Å
180L97.8Very high97.9Very high28 Ų2842 Ų4215%0.14724%0.24CC..G310 helixtrans-95.5-4.7174.6-58.3178.5000112.4F123 F177 G178 L264F123-L180 PolarHBondContact N-O 2.84Å; F177-L180 HydrophobicContact CB-CD1 4.29Å; F177-L180 WeakPolarHBondContact O-CB 3.35Å; F177-L180 PolarHBondContact O-N 3.4Å; G178-L180 PolarHBondContact O-N 2.99Å; L180-L264 HydrophobicContact CD1-CD2 4Å
181V98.6Very high97.7Very high20 Ų2039 Ų3912%0.12123%0.234CC..EExtended strand (participates in β ladder)trans-111.2118.1-171177.90000110.2F123 I125 A172 F177 G178 W268F123-V181 HydrophobicContact CB-CG2 4.37Å; F123-V181 HydrophobicContact CD2-CG2 4.39Å; F123-V181 WeakPolarHBondContact O-CA 3.49Å; I125-V181 HydrophobicContact CD1-CG1 3.56Å; I125-V181 HydrophobicContact CG1-CG1 3.98Å; A172-V181 HydrophobicContact CB-CB 4.15Å; A172-V181 HydrophobicContact CB-CG1 4.45Å; A172-V181 HydrophobicContact CB-CG2 3.63Å; F177-V181 HydrophobicContact CD2-CG2 3.95Å; F177-V181 HydrophobicContact CE2-CG2 3.98Å; G178-V181 PolarHBondContact O-N 2.82Å; G178-V181 VanDerWaalsContact O-N 3.08Å; V181-W268 HydrophobicContact CB-CH2 4.37Å; V181-W268 HydrophobicContact CG1-CH2 3.63Å; V181-W268 HydrophobicContact CG1-CZ2 3.87Å; V181-W268 HydrophobicContact CG2-CH2 3.75Å; V181-W268 HydrophobicContact CG2-CZ2 4.03Å; V181-W268 HydrophobicContact CG2-CZ3 4.15Å
182H98.6Very high97.5Very high59 Ų5943.2 Ų43.227%0.27326%0.261SS..EExtended strand (participates in β ladder)trans-116169.4179.2-55-90.8000110.5L118 D122 F123 V124 I125L118-H182 HydrophobicContact CD2-CB 3.93Å; D122-H182 IonicContact OD2-CD2 3.11Å; D122-H182 IonicContact OD2-NE2 2.77Å; D122-H182 PolarHBondContact OD2-NE2 2.93Å; F123-H182 PolarHBondContact O-N 3.01Å; V124-H182 HydrophobicContact CG2-CB 4.42Å; I125-H182 PolarHBondContact N-O 3.35Å
183Q98.7Very high97.3Very high85 Ų8547.9 Ų47.940%0.39729%0.293SS..EExtended strand (participates in β ladder)trans-126.2126.5172.6-63.3-17366.200110.2I125 V169I125-Q183 HydrophobicContact CB-CG 4.2Å; I125-Q183 VanDerWaalsContact O-CA 3.31Å; I125-Q183 WeakPolarHBondContact O-CA 3.47Å; V169-Q183 HydrophobicContact CG2-CG 4.34Å
184G98.6Very high97.2Very high0 Ų045.5 Ų45.50%028%0.279CS..EExtended strand (participates in β ladder)trans-151.4168.6-170.100000115.4I125 L126 K127 D209I125-G184 PolarHBondContact O-N 2.9Å; L126-G184 WeakPolarHBondContact CA-O 3.39Å; K127-G184 PolarHBondContact N-O 2.91Å; G184-D209 WeakPolarHBondContact CA-OD2 3.21Å
185V98.8Very high97.1Very high25 Ų2542.3 Ų42.315%0.15226%0.264CS..EExtended strand (participates in β ladder)trans-89.8126.8174.7-178.90000109.2K127 D128 I130 D209 V210K127-V185 HydrophobicContact CG-CG2 4.43Å; D128-V185 HydrophobicContact CB-CG2 4.28Å; D128-V185 WeakPolarHBondContact O-CA 3.24Å; I130-V185 HydrophobicContact CG1-CG1 4.3Å; V185-D209 PolarHBondContact N-OD2 2.8Å; V185-D209 PolarHBondContact O-N 3.01Å; V185-V210 PolarHBondContact O-N 2.96Å
186Y98.8Very high97Very high0 Ų042.7 Ų42.70%027%0.269CS..EExtended strand (participates in β ladder)trans-94.2135.1175.8-179.3-100.3000111.3A111 L126 D128 H129 I130 M188 V210 G212 M213 S214 I216A111-Y186 HydrophobicContact CB-CE2 4.13Å; L126-Y186 HydrophobicContact CD1-CD1 4.38Å; L126-Y186 HydrophobicContact CD1-CD2 4.24Å; L126-Y186 HydrophobicContact CD1-CG 3.86Å; L126-Y186 HydrophobicContact CD2-CD2 4.37Å; L126-Y186 HydrophobicContact CD2-CG 4.37Å; D128-Y186 PolarHBondContact O-N 3.28Å; H129-Y186 CarbonylContact C-O 3.55Å; H129-Y186 WeakPolarHBondContact CA-O 3.38Å; H129-Y186 VanDerWaalsContact CB-O 3.23Å; H129-Y186 WeakPolarHBondContact CB-O 3.39Å; I130-Y186 PolarHBondContact N-O 2.88Å; Y186-M188 HydrophobicContact CE1-CB 4.01Å; Y186-V210 CarbonylContact C-O 3.54Å; Y186-V210 WeakPolarHBondContact CA-O 3.33Å; Y186-V210 HydrophobicContact CD2-CB 4.41Å; Y186-V210 HydrophobicContact CD2-CG2 3.82Å; Y186-G212 WeakPolarHBondContact OH-CA 3.16Å; Y186-G212 PolarHBondContact OH-N 2.94Å; Y186-M213 PolarHBondContact OH-N 3.1Å; Y186-S214 WeakPolarHBondContact CE1-O 3.46Å; Y186-S214 PolarHBondContact OH-N 2.91Å; Y186-S214 PolarHBondContact OH-O 2.89Å; Y186-I216 HydrophobicContact CD1-CD1 3.99Å; Y186-I216 HydrophobicContact CD1-CG1 3.86Å; Y186-I216 HydrophobicContact CE1-CD1 4.27Å; Y186-I216 HydrophobicContact CE1-CG1 3.97Å
187V98.7Very high97Very high0 Ų041.3 Ų41.30%025%0.247CC..EExtended strand (participates in β ladder)trans-111.5132.9168.257.90000110.7L114 I130 L132 L203 C208 V210 V211 G212L114-V187 HydrophobicContact CD1-CG1 3.96Å; I130-V187 HydrophobicContact CB-CB 4.17Å; I130-V187 HydrophobicContact CB-CG2 3.94Å; I130-V187 HydrophobicContact CG2-CG2 4.15Å; I130-V187 WeakPolarHBondContact O-CA 3.29Å; L132-V187 HydrophobicContact CD1-CG2 3.86Å; L132-V187 HydrophobicContact CG-CG2 3.88Å; V187-L203 HydrophobicContact CB-CD2 4.36Å; V187-L203 HydrophobicContact CG1-CB 4.26Å; V187-L203 HydrophobicContact CG1-CD1 3.86Å; V187-L203 HydrophobicContact CG1-CD2 3.97Å; V187-L203 HydrophobicContact CG1-CG 4.24Å; V187-L203 HydrophobicContact CG2-CD2 3.72Å; V187-C208 HydrophobicContact CB-CB 4.11Å; V187-C208 HydrophobicContact CG1-CB 3.69Å; V187-V210 PolarHBondContact N-O 3.3Å; V187-V211 HydrophobicContact CG1-CB 3.72Å; V187-V211 HydrophobicContact CG1-CG2 3.86Å; V187-V211 VanDerWaalsContact O-CA 3.31Å; V187-V211 WeakPolarHBondContact O-CA 3.3Å; V187-G212 PolarHBondContact O-N 3.46Å
188M98Very high97Very high1 Ų144.1 Ų44.11%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-97.5124.3171.1-177.6179.916800110.1M81 I130 Y131 L132 P133 Y186 G212 I216 P217M81-M188 HydrophobicContact SD-CE 4.12Å; I130-M188 PolarHBondContact O-N 2.92Å; Y131-M188 HydrophobicContact CD2-CB 4.29Å; Y131-M188 HydrophobicContact CD2-SD 3.89Å; Y131-M188 HydrophobicContact CE2-CE 4.27Å; Y131-M188 HydrophobicContact CE2-SD 3.58Å; Y131-M188 VanDerWaalsContact CE2-SD 3.58Å; L132-M188 WeakPolarHBondContact CB-O 3.4Å; L132-M188 PolarHBondContact N-O 3.3Å; P133-M188 WeakPolarHBondContact CD-O 3.46Å; P133-M188 HydrophobicContact CG-CE 4.43Å; Y186-M188 HydrophobicContact CE1-CB 4.01Å; M188-G212 CarbonylContact C-O 3.59Å; M188-G212 VanDerWaalsContact CA-O 3.24Å; M188-G212 WeakPolarHBondContact CA-O 3.23Å; M188-I216 HydrophobicContact CB-CB 4.42Å; M188-I216 HydrophobicContact CB-CD1 3.35Å; M188-I216 HydrophobicContact CB-CG1 3.9Å; M188-I216 HydrophobicContact SD-CB 4.04Å; M188-I216 HydrophobicContact SD-CG1 4.46Å; M188-P217 HydrophobicContact CE-CG 4Å; M188-P217 WeakPolarHBondContact SD-CD 3.47Å; M188-P217 HydrophobicContact SD-CG 3.98Å
189N95Very high96.9Very high20 Ų2047.2 Ų47.211%0.10728%0.281CS..  trans-96.2168159.871.677.1000110.5G191 E195 V211 G212 M213N189-G191 VanDerWaalsContact C-N 3.35Å; N189-G191 PolarHBondContact O-N 3.06Å; N189-G191 WeakPolarHBondContact OD1-CA 3.42Å; N189-G191 PolarHBondContact OD1-N 3.33Å; N189-E195 PolarHBondContact ND2-OE1 3.03Å; N189-V211 VanDerWaalsContact ND2-CG2 3.32Å; N189-V211 WeakPolarHBondContact ND2-CG2 3.32Å; N189-G212 PolarHBondContact N-O 3.38Å; N189-G212 PolarHBondContact ND2-O 2.96Å; N189-M213 WeakPolarHBondContact OD1-CG 3.28Å
190G92.6Very high97Very high36 Ų3641.4 Ų41.437%0.37125%0.25SS..  trans-74.4-19.8-176.200000115.1
191G93.7Very high97Very high28 Ų2842.5 Ų42.529%0.28926%0.258SS..  trans62-175.5-170.200000113.8N189 C193N189-G191 VanDerWaalsContact C-N 3.35Å; N189-G191 PolarHBondContact O-N 3.06Å; N189-G191 WeakPolarHBondContact OD1-CA 3.42Å; N189-G191 PolarHBondContact OD1-N 3.33Å; G191-C193 VanDerWaalsContact C-N 3.33Å
192P94.3Very high97Very high88 Ų8846.1 Ų46.157%0.57128%0.275SS*.SBendcis-84.9-1.1-3.236-35.6000113.5Y82Y82-P192 HydrophobicContact CD2-CB 4.2Å; Y82-P192 HydrophobicContact CG-CB 4.09Å
193C95.3Very high97Very high99 Ų9943.5 Ų43.567%0.66926%0.263SS*.SBendtrans-69.3132.3178.5-60.50000110.5G191 M213G191-C193 VanDerWaalsContact C-N 3.33Å; C193-M213 VanDerWaalsContact C-CE 3.5Å; C193-M213 WeakPolarHBondContact O-CE 3.32Å
194Y94.9Very high96.9Very high81 Ų8141.7 Ų41.732%0.31826%0.255SS..PPolyproline II helixtrans-59.7152.3158.2-67.4-83.2000109.4M213 P249Y194-M213 HydrophobicContact CD1-CE 4.21Å; Y194-M213 HydrophobicContact CG-CE 4.37Å; Y194-P249 HydrophobicContact CD1-CB 3.88Å; Y194-P249 HydrophobicContact CD2-CB 4.43Å; Y194-P249 HydrophobicContact CE1-CB 4.04Å; Y194-P249 HydrophobicContact CG-CB 4.08Å
195E96.3Very high96.9Very high28 Ų2848 Ų4813%0.13129%0.289CS..PPolyproline II helixtrans-74.2144.1-172.8-48.371.6-137.100110.2N189 E199 L203 V211N189-E195 PolarHBondContact ND2-OE1 3.03Å; E195-E199 WeakPolarHBondContact CA-OE2 3.47Å; E195-E199 HydrophobicContact CB-CB 3.95Å; E195-L203 HydrophobicContact CG-CD1 4.23Å; E195-V211 HydrophobicContact CG-CG2 4Å; E195-V211 WeakPolarHBondContact OE2-CG1 3.45Å
196T96.7Very high96.8Very high71 Ų7151.1 Ų51.144%0.43630%0.303SS..PPolyproline II helixtrans-65.1160.8170.362.60000110.9A198 E199 C200T196-A198 PolarHBondContact O-N 3.46Å; T196-E199 PolarHBondContact N-OE2 3.01Å; T196-E199 PolarHBondContact O-N 3.06Å; T196-E199 VanDerWaalsContact O-N 3.11Å; T196-E199 WeakPolarHBondContact OG1-CB 3.4Å; T196-E199 VanDerWaalsContact OG1-CD 3.28Å; T196-E199 VanDerWaalsContact OG1-CG 3.23Å; T196-E199 WeakPolarHBondContact OG1-CG 3.29Å; T196-E199 PolarHBondContact OG1-N 3.27Å; T196-E199 PolarHBondContact OG1-OE2 2.79Å; T196-C200 PolarHBondContact O-N 3.36Å; T196-C200 PolarHBondContact O-SG 3.47Å; T196-C200 VanDerWaalsContact O-SG 3.35Å
197P97.4Very high96.8Very high36 Ų3653.3 Ų53.323%0.23433%0.326CS..Hα-helixtrans-57.3-35.7175.2-28.436.8000114.3T201 V240P197-T201 VanDerWaalsContact O-CB 3.31Å; P197-T201 WeakPolarHBondContact O-CB 3.23Å; P197-T201 PolarHBondContact O-N 3.09Å; P197-T201 PolarHBondContact O-OG1 3.43Å; P197-V240 WeakPolarHBondContact CA-O 3.32Å; P197-V240 HydrophobicContact CG-CG1 4.04Å
198A97.7Very high96.8Very high73 Ų7353.3 Ų53.360%0.60333%0.326SS*.Hα-helixtrans-66.7-42.9175.400000111.9T196 T201 M202T196-A198 PolarHBondContact O-N 3.46Å; A198-T201 PolarHBondContact O-N 2.91Å; A198-M202 WeakPolarHBondContact O-CB 3Å; A198-M202 PolarHBondContact O-N 3.34Å
199E97.8Very high96.8Very high91 Ų9154.3 Ų54.343%0.42533%0.331SS..Hα-helixtrans-64.7-46174.4-72.6164.1153.200111E195 T196 T201 M202 L203E195-E199 WeakPolarHBondContact CA-OE2 3.47Å; E195-E199 HydrophobicContact CB-CB 3.95Å; T196-E199 PolarHBondContact N-OE2 3.01Å; T196-E199 PolarHBondContact O-N 3.06Å; T196-E199 VanDerWaalsContact O-N 3.11Å; T196-E199 WeakPolarHBondContact OG1-CB 3.4Å; T196-E199 VanDerWaalsContact OG1-CD 3.28Å; T196-E199 VanDerWaalsContact OG1-CG 3.23Å; T196-E199 WeakPolarHBondContact OG1-CG 3.29Å; T196-E199 PolarHBondContact OG1-N 3.27Å; T196-E199 PolarHBondContact OG1-OE2 2.79Å; E199-T201 VanDerWaalsContact C-N 3.3Å; E199-T201 PolarHBondContact O-N 3.32Å; E199-M202 WeakPolarHBondContact O-CB 3.38Å; E199-M202 PolarHBondContact O-N 2.63Å; E199-L203 WeakPolarHBondContact O-CB 3.36Å; E199-L203 WeakPolarHBondContact O-CG 3.31Å; E199-L203 PolarHBondContact O-N 3.16Å
200C98.2Very high97Very high1 Ų153.4 Ų53.41%0.00733%0.326CS..Hα-helixtrans-57.5-44.1175.3-67.30000111.8L114 T196 L203 L204 V240 L241L114-C200 HydrophobicContact CD2-CB 3.89Å; T196-C200 PolarHBondContact O-N 3.36Å; T196-C200 PolarHBondContact O-SG 3.47Å; T196-C200 VanDerWaalsContact O-SG 3.35Å; C200-L203 PolarHBondContact O-N 3.25Å; C200-L204 WeakPolarHBondContact O-CB 3.45Å; C200-L204 PolarHBondContact O-N 3.1Å; C200-V240 WeakPolarHBondContact CB-O 3.47Å; C200-L241 HydrophobicContact CB-CD2 3.49Å; C200-L241 VanDerWaalsContact CB-CD2 3.49Å
201T98.1Very high97.3Very high50 Ų5051.7 Ų51.731%0.30731%0.309SS..Hα-helixtrans-63.8-43.6177.5-61.60000111.4P197 A198 E199 L204 N205P197-T201 VanDerWaalsContact O-CB 3.31Å; P197-T201 WeakPolarHBondContact O-CB 3.23Å; P197-T201 PolarHBondContact O-N 3.09Å; P197-T201 PolarHBondContact O-OG1 3.43Å; A198-T201 PolarHBondContact O-N 2.91Å; E199-T201 VanDerWaalsContact C-N 3.3Å; E199-T201 PolarHBondContact O-N 3.32Å; T201-L204 PolarHBondContact O-N 3.19Å; T201-N205 WeakPolarHBondContact O-CB 3.47Å; T201-N205 PolarHBondContact O-N 3.22Å; T201-N205 PolarHBondContact O-ND2 2.83Å
202M98.3Very high97.4Very high97 Ų9750.7 Ų50.748%0.47830%0.299SS..Hα-helixtrans-57.7-49.9173.7177.3-172.772.700111A198 E199 L204 N205 M206A198-M202 WeakPolarHBondContact O-CB 3Å; A198-M202 PolarHBondContact O-N 3.34Å; E199-M202 WeakPolarHBondContact O-CB 3.38Å; E199-M202 PolarHBondContact O-N 2.63Å; M202-L204 PolarHBondContact O-N 3.49Å; M202-N205 PolarHBondContact O-N 3.38Å; M202-M206 HydrophobicContact CG-SD 4.08Å; M202-M206 VanDerWaalsContact O-CG 3.32Å; M202-M206 WeakPolarHBondContact O-CG 3.46Å; M202-M206 PolarHBondContact O-N 2.89Å
203L98.4Very high97.5Very high3 Ų348 Ų482%0.01628%0.278CS..Hα-helixtrans-62.9-41.4-178.5-67.7177.1000112.4L114 L132 V187 E195 E199 C200 M206 C208 V211L114-L203 HydrophobicContact CD1-CB 3.67Å; L114-L203 HydrophobicContact CD1-CD1 4.47Å; L114-L203 HydrophobicContact CD2-CB 4.33Å; L132-L203 HydrophobicContact CD1-CD2 4.05Å; V187-L203 HydrophobicContact CB-CD2 4.36Å; V187-L203 HydrophobicContact CG1-CB 4.26Å; V187-L203 HydrophobicContact CG1-CD1 3.86Å; V187-L203 HydrophobicContact CG1-CD2 3.97Å; V187-L203 HydrophobicContact CG1-CG 4.24Å; V187-L203 HydrophobicContact CG2-CD2 3.72Å; E195-L203 HydrophobicContact CG-CD1 4.23Å; E199-L203 WeakPolarHBondContact O-CB 3.36Å; E199-L203 WeakPolarHBondContact O-CG 3.31Å; E199-L203 PolarHBondContact O-N 3.16Å; C200-L203 PolarHBondContact O-N 3.25Å; L203-M206 HydrophobicContact CD2-SD 4.42Å; L203-M206 WeakPolarHBondContact O-CB 3.3Å; L203-M206 PolarHBondContact O-N 3.43Å; L203-C208 VanDerWaalsContact O-CB 3.25Å; L203-C208 WeakPolarHBondContact O-CB 3.4Å; L203-C208 PolarHBondContact O-N 2.57Å; L203-C208 VanDerWaalsContact O-N 3.11Å; L203-C208 PolarHBondContact O-SG 3.48Å; L203-C208 VanDerWaalsContact O-SG 3.35Å; L203-V211 HydrophobicContact CD1-CB 4.37Å; L203-V211 HydrophobicContact CD1-CG2 3.93Å
204L98.1Very high97.5Very high47 Ų4743.7 Ų43.725%0.24625%0.25CC..Hα-helixtrans-61.4-45.5173.7178.959.9000111.1L114 C200 T201 M202 M206 G207 L241L114-L204 HydrophobicContact CB-CB 4.46Å; L114-L204 HydrophobicContact CB-CD1 4.36Å; C200-L204 WeakPolarHBondContact O-CB 3.45Å; C200-L204 PolarHBondContact O-N 3.1Å; T201-L204 PolarHBondContact O-N 3.19Å; M202-L204 PolarHBondContact O-N 3.49Å; L204-M206 PolarHBondContact O-N 3.21Å; L204-G207 WeakPolarHBondContact O-CA 3.44Å; L204-G207 PolarHBondContact O-N 2.96Å; L204-L241 HydrophobicContact CD2-CD1 3.69Å
205N98Very high97.7Very high132 Ų13239.9 Ų39.971%0.70624%0.235SC*.Hα-helixtrans-66-25.4177.9-71.2-18.5000113.1T201 M202 G207T201-N205 WeakPolarHBondContact O-CB 3.47Å; T201-N205 PolarHBondContact O-N 3.22Å; T201-N205 PolarHBondContact O-ND2 2.83Å; M202-N205 PolarHBondContact O-N 3.38Å; N205-G207 PolarHBondContact O-N 3.14Å
206M97.1Very high97.7Very high91 Ų9138.5 Ų38.545%0.44823%0.229SC..THydrogen-bonded Turntrans-75.1-1.4170.3-69.6173.46600113.3I130 M202 L203 L204I130-M206 HydrophobicContact CD1-CB 4.41Å; I130-M206 HydrophobicContact CD1-CE 3.85Å; I130-M206 HydrophobicContact CG2-CE 4.35Å; M202-M206 HydrophobicContact CG-SD 4.08Å; M202-M206 VanDerWaalsContact O-CG 3.32Å; M202-M206 WeakPolarHBondContact O-CG 3.46Å; M202-M206 PolarHBondContact O-N 2.89Å; L203-M206 HydrophobicContact CD2-SD 4.42Å; L203-M206 WeakPolarHBondContact O-CB 3.3Å; L203-M206 PolarHBondContact O-N 3.43Å; L204-M206 PolarHBondContact O-N 3.21Å
207G97.7Very high97.8Very high46 Ų4635.3 Ų35.347%0.47421%0.209SC..THydrogen-bonded Turntrans84.720.7179.300000114.2L204 N205L204-G207 WeakPolarHBondContact O-CA 3.44Å; L204-G207 PolarHBondContact O-N 2.96Å; N205-G207 PolarHBondContact O-N 3.14Å
208C98.6Very high97.8Very high1 Ų134 Ų341%0.00720%0.199CC..  trans-82.8139.5174.3-520000110.8L114 I130 V187 L203L114-C208 HydrophobicContact CD1-CB 3.68Å; I130-C208 VanDerWaalsContact CD1-SG 3.54Å; V187-C208 HydrophobicContact CB-CB 4.11Å; V187-C208 HydrophobicContact CG1-CB 3.69Å; L203-C208 VanDerWaalsContact O-CB 3.25Å; L203-C208 WeakPolarHBondContact O-CB 3.4Å; L203-C208 PolarHBondContact O-N 2.57Å; L203-C208 VanDerWaalsContact O-N 3.11Å; L203-C208 PolarHBondContact O-SG 3.48Å; L203-C208 VanDerWaalsContact O-SG 3.35Å
209D98.8Very high97.9Very high22 Ų2230.5 Ų30.512%0.11817%0.171CC..SBendtrans-97.4-35.2-179.9-66-75000112.3L114 N115 L118 G184 V185L114-D209 WeakPolarHBondContact CB-O 3.42Å; L114-D209 PolarHBondContact N-O 2.8Å; N115-D209 HydrophobicContact CB-CB 4.24Å; N115-D209 PolarHBondContact N-O 2.84Å; N115-D209 VanDerWaalsContact N-O 3.1Å; N115-D209 PolarHBondContact ND2-OD1 2.63Å; L118-D209 HydrophobicContact CD1-CB 4.45Å; L118-D209 WeakPolarHBondContact CD1-O 3.49Å; G184-D209 WeakPolarHBondContact CA-OD2 3.21Å; V185-D209 PolarHBondContact N-OD2 2.8Å; V185-D209 PolarHBondContact O-N 3.01Å
210V98.7Very high97.9Very high0 Ų026.2 Ų26.20%015%0.151CC..EExtended strand (participates in β ladder)trans-140.9147-178.3-77.70000111.1A111 G112 L118 V124 L126 V185 Y186 V187 V235A111-V210 HydrophobicContact CB-CB 3.96Å; A111-V210 HydrophobicContact CB-CG1 4.36Å; G112-V210 CarbonylContact O-C 3.59Å; G112-V210 VanDerWaalsContact O-CA 3.24Å; G112-V210 WeakPolarHBondContact O-CA 3.43Å; L118-V210 HydrophobicContact CD1-CG1 3.82Å; V124-V210 HydrophobicContact CB-CG1 4.25Å; V124-V210 HydrophobicContact CB-CG2 4.33Å; V124-V210 HydrophobicContact CG1-CG2 4.1Å; V124-V210 HydrophobicContact CG2-CG1 3.76Å; L126-V210 HydrophobicContact CD2-CG2 4.03Å; V185-V210 PolarHBondContact O-N 2.96Å; Y186-V210 CarbonylContact C-O 3.54Å; Y186-V210 WeakPolarHBondContact CA-O 3.33Å; Y186-V210 HydrophobicContact CD2-CB 4.41Å; Y186-V210 HydrophobicContact CD2-CG2 3.82Å; V187-V210 PolarHBondContact N-O 3.3Å; V210-V235 HydrophobicContact CG1-CG2 4.04Å
211V98.5Very high97.9Very high1 Ų126.2 Ų26.21%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-122.7145178.758.40000111.4A111 G112 L114 V187 N189 E195 L203A111-V211 CarbonylContact C-O 3.5Å; A111-V211 VanDerWaalsContact CA-O 3.28Å; A111-V211 WeakPolarHBondContact CA-O 3.44Å; A111-V211 WeakPolarHBondContact CB-O 3.31Å; G112-V211 PolarHBondContact N-O 3.4Å; G112-V211 PolarHBondContact O-N 2.92Å; L114-V211 HydrophobicContact CD1-CB 3.96Å; L114-V211 HydrophobicContact CD1-CG1 4.23Å; L114-V211 HydrophobicContact CD2-CG1 4.02Å; L114-V211 HydrophobicContact CG-CB 4.24Å; L114-V211 HydrophobicContact CG-CG1 3.95Å; V187-V211 HydrophobicContact CG1-CB 3.72Å; V187-V211 HydrophobicContact CG1-CG2 3.86Å; V187-V211 VanDerWaalsContact O-CA 3.31Å; V187-V211 WeakPolarHBondContact O-CA 3.3Å; N189-V211 VanDerWaalsContact ND2-CG2 3.32Å; N189-V211 WeakPolarHBondContact ND2-CG2 3.32Å; E195-V211 HydrophobicContact CG-CG2 4Å; E195-V211 WeakPolarHBondContact OE2-CG1 3.45Å; L203-V211 HydrophobicContact CD1-CB 4.37Å; L203-V211 HydrophobicContact CD1-CG2 3.93Å
212G97.5Very high97.9Very high7 Ų723.9 Ų23.97%0.07214%0.136CC..EExtended strand (participates in β ladder)trans-164.1-165.9165.400000112.7Y186 V187 M188 N189Y186-G212 WeakPolarHBondContact OH-CA 3.16Å; Y186-G212 PolarHBondContact OH-N 2.94Å; V187-G212 PolarHBondContact O-N 3.46Å; M188-G212 CarbonylContact C-O 3.59Å; M188-G212 VanDerWaalsContact CA-O 3.24Å; M188-G212 WeakPolarHBondContact CA-O 3.23Å; N189-G212 PolarHBondContact N-O 3.38Å; N189-G212 PolarHBondContact ND2-O 2.96Å
213M96Very high97.9Very high30 Ų3021.8 Ų21.815%0.14812%0.123CC..SBendtrans-118.218.8-166.3-53.9173.5-173.300113.1Y82 Y186 N189 C193 Y194Y82-M213 HydrophobicContact CD1-CB 4.15Å; Y82-M213 HydrophobicContact CD1-SD 4.49Å; Y82-M213 HydrophobicContact CE1-CB 3.84Å; Y82-M213 HydrophobicContact CE1-SD 4.21Å; Y186-M213 PolarHBondContact OH-N 3.1Å; N189-M213 WeakPolarHBondContact OD1-CG 3.28Å; C193-M213 VanDerWaalsContact C-CE 3.5Å; C193-M213 WeakPolarHBondContact O-CE 3.32Å; Y194-M213 HydrophobicContact CD1-CE 4.21Å; Y194-M213 HydrophobicContact CG-CE 4.37Å
214S95.6Very high97.9Very high10 Ų1022 Ų227%0.0712%0.124CC..SBendtrans-150.9-163.4-17273.90000112.6R78 Y186 I216R78-S214 PolarHBondContact NH1-OG 3.31Å; R78-S214 VanDerWaalsContact NH1-OG 3.16Å; Y186-S214 WeakPolarHBondContact CE1-O 3.46Å; Y186-S214 PolarHBondContact OH-N 2.91Å; Y186-S214 PolarHBondContact OH-O 2.89Å; S214-I216 PolarHBondContact O-N 2.94Å
215T97.5Very high97.9Very high0 Ų019.9 Ų19.90%011%0.113CC..SBendtrans78.3-50.6166-55.30000114.9R78 V107 N109 L126 E218 V219 A231R78-T215 PolarHBondContact NH1-OG1 3.3Å; V107-T215 HydrophobicContact CG1-CG2 3.91Å; N109-T215 WeakPolarHBondContact CB-OG1 3.31Å; N109-T215 PolarHBondContact ND2-OG1 2.85Å; L126-T215 HydrophobicContact CD1-CG2 4.25Å; T215-E218 VanDerWaalsContact CA-OE2 3.23Å; T215-E218 WeakPolarHBondContact CA-OE2 3.19Å; T215-E218 PolarHBondContact N-OE2 3.27Å; T215-E218 VanDerWaalsContact N-OE2 3.13Å; T215-E218 PolarHBondContact O-N 2.93Å; T215-V219 HydrophobicContact CG2-CG2 3.96Å; T215-V219 WeakPolarHBondContact O-CG2 3.49Å; T215-V219 PolarHBondContact O-N 2.78Å; T215-A231 HydrophobicContact CG2-CB 4.49Å
216I98.1Very high97.9Very high0 Ų016.3 Ų16.30%011%0.107CC..Hα-helixtrans-62.5-42.8-174.6-58.2-178.5000112.5H129 I130 Y131 Y186 M188 S214 E218 V219 V220H129-I216 HydrophobicContact CB-CD1 3.62Å; H129-I216 HydrophobicContact CB-CG1 4.05Å; I130-I216 WeakPolarHBondContact O-CD1 3.34Å; Y131-I216 HydrophobicContact CD1-CG2 3.71Å; Y131-I216 HydrophobicContact CD2-CB 3.98Å; Y131-I216 HydrophobicContact CD2-CD1 4.09Å; Y131-I216 HydrophobicContact CD2-CG2 3.76Å; Y131-I216 HydrophobicContact CE1-CG2 4.31Å; Y131-I216 HydrophobicContact CE2-CB 4.4Å; Y131-I216 HydrophobicContact CE2-CG2 4.33Å; Y131-I216 HydrophobicContact CG-CB 4.19Å; Y131-I216 HydrophobicContact CG-CD1 4.25Å; Y131-I216 HydrophobicContact CG-CG2 3.45Å; Y131-I216 VanDerWaalsContact CG-CG2 3.45Å; Y186-I216 HydrophobicContact CD1-CD1 3.99Å; Y186-I216 HydrophobicContact CD1-CG1 3.86Å; Y186-I216 HydrophobicContact CE1-CD1 4.27Å; Y186-I216 HydrophobicContact CE1-CG1 3.97Å; M188-I216 HydrophobicContact CB-CB 4.42Å; M188-I216 HydrophobicContact CB-CD1 3.35Å; M188-I216 HydrophobicContact CB-CG1 3.9Å; M188-I216 HydrophobicContact SD-CB 4.04Å; M188-I216 HydrophobicContact SD-CG1 4.46Å; S214-I216 PolarHBondContact O-N 2.94Å; I216-E218 VanDerWaalsContact C-N 3.29Å; I216-E218 PolarHBondContact O-N 3.33Å; I216-V219 WeakPolarHBondContact O-CB 3.38Å; I216-V219 PolarHBondContact O-N 2.66Å; I216-V219 VanDerWaalsContact O-N 3.14Å; I216-V220 HydrophobicContact CG2-CG2 3.84Å; I216-V220 WeakPolarHBondContact O-CG2 3.24Å; I216-V220 PolarHBondContact O-N 3.35Å
217P97.6Very high98Very high4 Ų412 Ų123%0.0269%0.086CC..Hα-helixtrans-55.4-45.3177.3-28.738.1000112.2M81 V90 Y131 I140 M188 V220 I221M81-P217 HydrophobicContact CE-CB 4.28Å; M81-P217 HydrophobicContact CE-CG 3.81Å; M81-P217 HydrophobicContact SD-CG 4.46Å; V90-P217 HydrophobicContact CG1-CB 3.78Å; Y131-P217 HydrophobicContact CE2-CG 4.37Å; I140-P217 HydrophobicContact CB-CB 4.22Å; I140-P217 HydrophobicContact CD1-CB 3.93Å; I140-P217 HydrophobicContact CG1-CB 3.96Å; M188-P217 HydrophobicContact CE-CG 4Å; M188-P217 WeakPolarHBondContact SD-CD 3.47Å; M188-P217 HydrophobicContact SD-CG 3.98Å; P217-V220 PolarHBondContact O-N 3.11Å; P217-I221 VanDerWaalsContact O-CG1 3.3Å; P217-I221 WeakPolarHBondContact O-CG1 3.37Å; P217-I221 PolarHBondContact O-N 2.85Å
218E98.2Very high98Very high7 Ų713.6 Ų13.63%0.0338%0.081CC..Hα-helixtrans-65-41.1178-59.696.6138.700112I24 R78 I94 T215 I216 I221 A222I24-E218 HydrophobicContact CD1-CB 4.02Å; I24-E218 HydrophobicContact CD1-CG 3.98Å; R78-E218 WeakPolarHBondContact CD-OE1 3.27Å; I94-E218 HydrophobicContact CD1-CB 3.97Å; I94-E218 HydrophobicContact CD1-CG 4.09Å; I94-E218 HydrophobicContact CG1-CB 3.94Å; I94-E218 HydrophobicContact CG1-CG 4.1Å; T215-E218 VanDerWaalsContact CA-OE2 3.23Å; T215-E218 WeakPolarHBondContact CA-OE2 3.19Å; T215-E218 PolarHBondContact N-OE2 3.27Å; T215-E218 VanDerWaalsContact N-OE2 3.13Å; T215-E218 PolarHBondContact O-N 2.93Å; I216-E218 VanDerWaalsContact C-N 3.29Å; I216-E218 PolarHBondContact O-N 3.33Å; E218-I221 PolarHBondContact O-N 2.8Å; E218-A222 VanDerWaalsContact O-CB 3.26Å; E218-A222 WeakPolarHBondContact O-CB 3.44Å; E218-A222 PolarHBondContact O-N 3.28Å
219V98.7Very high98Very high0 Ų013.6 Ų13.60%08%0.081CC..Hα-helixtrans-60.1-50.1174.9174.10000110.3A159 Y160 T215 I216 I221 A222 R223 V229A159-V219 HydrophobicContact CB-CG1 4.04Å; Y160-V219 HydrophobicContact CE1-CG1 4.16Å; Y160-V219 HydrophobicContact CE1-CG2 3.8Å; T215-V219 HydrophobicContact CG2-CG2 3.96Å; T215-V219 WeakPolarHBondContact O-CG2 3.49Å; T215-V219 PolarHBondContact O-N 2.78Å; I216-V219 WeakPolarHBondContact O-CB 3.38Å; I216-V219 PolarHBondContact O-N 2.66Å; I216-V219 VanDerWaalsContact O-N 3.14Å; V219-I221 VanDerWaalsContact C-N 3.34Å; V219-I221 PolarHBondContact O-N 2.8Å; V219-A222 WeakPolarHBondContact O-CB 3.44Å; V219-A222 PolarHBondContact O-N 3.02Å; V219-R223 HydrophobicContact CG1-CG 4.35Å; V219-R223 VanDerWaalsContact O-CG 3.31Å; V219-R223 WeakPolarHBondContact O-CG 3.31Å; V219-R223 PolarHBondContact O-N 3.1Å; V219-V229 HydrophobicContact CG1-CG1 4.44Å; V219-V229 HydrophobicContact CG2-CG1 4.05Å
220V98.4Very high98Very high1 Ų112.6 Ų12.61%0.0068%0.076CC..Hα-helixtrans-61.1-43.6-178.5173.10000111I140 L141 L156 I216 P217 R223 H224I140-V220 HydrophobicContact CG2-CB 3.72Å; I140-V220 HydrophobicContact CG2-CG1 3.5Å; L141-V220 HydrophobicContact CD1-CG1 3.72Å; L141-V220 HydrophobicContact CG-CG1 3.97Å; L156-V220 HydrophobicContact CD1-CG2 3.79Å; L156-V220 HydrophobicContact CD2-CG2 4.3Å; I216-V220 HydrophobicContact CG2-CG2 3.84Å; I216-V220 WeakPolarHBondContact O-CG2 3.24Å; I216-V220 PolarHBondContact O-N 3.35Å; P217-V220 PolarHBondContact O-N 3.11Å; V220-R223 PolarHBondContact O-N 2.79Å; V220-H224 WeakPolarHBondContact O-CB 3.25Å; V220-H224 PolarHBondContact O-N 3.38Å
221I98.3Very high98Very high2 Ų212.7 Ų12.71%0.018%0.076CC..Hα-helixtrans-66.9-40.2176.9-63-64.1000111.6A91 I94 R95 I140 L141 P217 E218 V219 H224 C225A91-I221 HydrophobicContact CB-CD1 3.62Å; A91-I221 HydrophobicContact CB-CG1 3.65Å; A91-I221 HydrophobicContact CB-CG2 4.36Å; I94-I221 HydrophobicContact CB-CB 4.22Å; I94-I221 HydrophobicContact CB-CG2 3.68Å; I94-I221 HydrophobicContact CG2-CB 4.2Å; I94-I221 HydrophobicContact CG2-CG2 3.77Å; R95-I221 HydrophobicContact CG-CG2 4.05Å; I140-I221 HydrophobicContact CG1-CD1 3.95Å; I140-I221 HydrophobicContact CG1-CG1 3.85Å; I140-I221 HydrophobicContact CG2-CD1 3.94Å; I140-I221 HydrophobicContact CG2-CG1 4.02Å; L141-I221 HydrophobicContact CD2-CD1 3.55Å; L141-I221 HydrophobicContact CG-CD1 4.38Å; P217-I221 VanDerWaalsContact O-CG1 3.3Å; P217-I221 WeakPolarHBondContact O-CG1 3.37Å; P217-I221 PolarHBondContact O-N 2.85Å; E218-I221 PolarHBondContact O-N 2.8Å; V219-I221 VanDerWaalsContact C-N 3.34Å; V219-I221 PolarHBondContact O-N 2.8Å; I221-H224 PolarHBondContact O-N 3.06Å; I221-C225 PolarHBondContact O-N 3.07Å; I221-C225 PolarHBondContact O-SG 3.01Å
222A98.6Very high98Very high0 Ų012.6 Ų12.60%08%0.076CC..Hα-helixtrans-60.4-47.2176.200000110.9I94 L105 E218 V219 C225 G226 I227 V229I94-A222 HydrophobicContact CG2-CB 3.91Å; L105-A222 HydrophobicContact CB-CB 4.49Å; L105-A222 HydrophobicContact CD2-CB 3.73Å; E218-A222 VanDerWaalsContact O-CB 3.26Å; E218-A222 WeakPolarHBondContact O-CB 3.44Å; E218-A222 PolarHBondContact O-N 3.28Å; V219-A222 WeakPolarHBondContact O-CB 3.44Å; V219-A222 PolarHBondContact O-N 3.02Å; A222-C225 CarbonylContact O-C 3.54Å; A222-C225 WeakPolarHBondContact O-CA 2.97Å; A222-C225 WeakPolarHBondContact O-CB 3.47Å; A222-C225 PolarHBondContact O-N 3.35Å; A222-C225 VanDerWaalsContact O-N 3.1Å; A222-G226 PolarHBondContact O-N 3.49Å; A222-I227 HydrophobicContact CB-CB 4.02Å; A222-I227 HydrophobicContact CB-CG2 4.15Å; A222-I227 WeakPolarHBondContact O-CB 3.43Å; A222-I227 PolarHBondContact O-N 3.15Å; A222-V229 HydrophobicContact CB-CG2 3.57Å
223R98.6Very high98Very high54 Ų5412.3 Ų12.320%0.2047%0.073CC..Hα-helixtrans-65.8-39.9177.1-62.3-49.5-67.9165.9-11.1112.8L156 N158 A159 V219 V220 C225 G226 I227 V229L156-R223 HydrophobicContact CD2-CB 3.89Å; L156-R223 HydrophobicContact CD2-CG 4.19Å; N158-R223 PolarHBondContact O-NH2 3.43Å; A159-R223 HydrophobicContact CB-CG 4.08Å; A159-R223 VanDerWaalsContact O-CD 3.3Å; A159-R223 WeakPolarHBondContact O-CD 3.32Å; V219-R223 HydrophobicContact CG1-CG 4.35Å; V219-R223 VanDerWaalsContact O-CG 3.31Å; V219-R223 WeakPolarHBondContact O-CG 3.31Å; V219-R223 PolarHBondContact O-N 3.1Å; V220-R223 PolarHBondContact O-N 2.79Å; R223-C225 PolarHBondContact O-N 2.92Å; R223-G226 PolarHBondContact O-N 2.98Å; R223-I227 WeakPolarHBondContact CD-O 3.49Å; R223-I227 PolarHBondContact NH1-O 3.27Å; R223-V229 HydrophobicContact CG-CG2 4.33Å
224H98.2Very high98.1Very high6 Ų610.9 Ų10.93%0.0287%0.066CC..Hα-helixtrans-57-37.7171.4-177.3-101.6000111.4R95 L141 N145 G150 T151 P154 V220 I221 G226R95-H224 PolarHBondContact NH1-ND1 3.18Å; R95-H224 PolarHBondContact NH2-CE1 3.44Å; R95-H224 PolarHBondContact NH2-ND1 3.24Å; L141-H224 HydrophobicContact CD1-CB 4.25Å; L141-H224 HydrophobicContact CD2-CB 4.36Å; N145-H224 PolarHBondContact OD1-NE2 3.07Å; N145-H224 VanDerWaalsContact OD1-NE2 3.07Å; G150-H224 VanDerWaalsContact C-NE2 3.31Å; G150-H224 VanDerWaalsContact CA-O 3.25Å; G150-H224 WeakPolarHBondContact CA-O 3.36Å; G150-H224 PolarHBondContact N-CE1 3.3Å; G150-H224 PolarHBondContact O-NE2 2.95Å; T151-H224 PolarHBondContact O-CD2 2.97Å; T151-H224 PolarHBondContact O-NE2 3.16Å; P154-H224 HydrophobicContact CG-CB 4.48Å; V220-H224 WeakPolarHBondContact O-CB 3.25Å; V220-H224 PolarHBondContact O-N 3.38Å; I221-H224 PolarHBondContact O-N 3.06Å; H224-G226 VanDerWaalsContact C-N 3.3Å; H224-G226 PolarHBondContact O-N 2.75Å
225C97.3Very high98.2Very high4 Ų410.4 Ų10.43%0.0276%0.062CC..THydrogen-bonded Turntrans-78.7-0.4174.5-61.60000115.4R95 K98 F149 I221 A222 R223 I227R95-C225 PolarHBondContact NH1-SG 2.85Å; K98-C225 HydrophobicContact CB-CB 4.11Å; K98-C225 HydrophobicContact CD-CB 3.93Å; K98-C225 WeakPolarHBondContact CE-O 3.46Å; K98-C225 HydrophobicContact CG-CB 3.86Å; K98-C225 PolarHBondContact NZ-O 2.84Å; F149-C225 WeakPolarHBondContact O-CA 3.18Å; I221-C225 PolarHBondContact O-N 3.07Å; I221-C225 PolarHBondContact O-SG 3.01Å; A222-C225 CarbonylContact O-C 3.54Å; A222-C225 WeakPolarHBondContact O-CA 2.97Å; A222-C225 WeakPolarHBondContact O-CB 3.47Å; A222-C225 PolarHBondContact O-N 3.35Å; A222-C225 VanDerWaalsContact O-N 3.1Å; R223-C225 PolarHBondContact O-N 2.92Å; C225-I227 VanDerWaalsContact C-N 3.31Å; C225-I227 HydrophobicContact CB-CD1 4.06Å; C225-I227 HydrophobicContact CB-CG1 4.08Å; C225-I227 PolarHBondContact O-N 3.38Å
226G97.6Very high98.2Very high56 Ų5610.4 Ų10.458%0.5776%0.063SC*.THydrogen-bonded Turntrans68.423.8-17300000114.9A222 R223 H224A222-G226 PolarHBondContact O-N 3.49Å; R223-G226 PolarHBondContact O-N 2.98Å; H224-G226 VanDerWaalsContact C-N 3.3Å; H224-G226 PolarHBondContact O-N 2.75Å
227I98.5Very high98Very high1 Ų110.8 Ų10.81%0.0056%0.064CC..  trans-84.2132.5174.1-65.8172.8000108.8K98 V102 K103 L105 A222 R223 C225K98-I227 HydrophobicContact CB-CD1 3.97Å; K98-I227 HydrophobicContact CD-CD1 4.14Å; K98-I227 HydrophobicContact CD-CG1 4.12Å; V102-I227 HydrophobicContact CG1-CD1 4.48Å; V102-I227 HydrophobicContact CG1-CG2 4.46Å; K103-I227 WeakPolarHBondContact O-CA 3.41Å; K103-I227 WeakPolarHBondContact O-CG2 3.48Å; L105-I227 HydrophobicContact CB-CG2 3.71Å; A222-I227 HydrophobicContact CB-CB 4.02Å; A222-I227 HydrophobicContact CB-CG2 4.15Å; A222-I227 WeakPolarHBondContact O-CB 3.43Å; A222-I227 PolarHBondContact O-N 3.15Å; R223-I227 WeakPolarHBondContact CD-O 3.49Å; R223-I227 PolarHBondContact NH1-O 3.27Å; C225-I227 VanDerWaalsContact C-N 3.31Å; C225-I227 HydrophobicContact CB-CD1 4.06Å; C225-I227 HydrophobicContact CB-CG1 4.08Å; C225-I227 PolarHBondContact O-N 3.38Å
228Q98.5Very high97.9Very high80 Ų8013.2 Ų13.237%0.3748%0.077SC..EExtended strand (participates in β ladder)trans-70.8139.9171.7-70.7178.9-63.400110.2K103 I104 L105 D161 L164K103-Q228 PolarHBondContact O-N 2.81Å; I104-Q228 CarbonylContact C-O 3.3Å; I104-Q228 WeakPolarHBondContact CA-O 3.3Å; I104-Q228 HydrophobicContact CG1-CB 4.37Å; L105-Q228 PolarHBondContact N-O 2.78Å; D161-Q228 HydrophobicContact CB-CB 4.45Å; D161-Q228 PolarHBondContact OD2-NE2 3.41Å; L164-Q228 HydrophobicContact CD1-CB 4.17Å
229V98.8Very high97.8Very high0 Ų013 Ų130%08%0.076CC..EExtended strand (participates in β ladder)trans-122.2130.5-175.7-175.60000110.6L105 V107 A159 D161 V219 A222 R223L105-V229 HydrophobicContact CB-CG2 4.39Å; L105-V229 WeakPolarHBondContact O-CA 3.48Å; V107-V229 HydrophobicContact CG2-CG1 4.44Å; A159-V229 WeakPolarHBondContact O-CB 3.43Å; D161-V229 PolarHBondContact N-O 3.23Å; V219-V229 HydrophobicContact CG1-CG1 4.44Å; V219-V229 HydrophobicContact CG2-CG1 4.05Å; A222-V229 HydrophobicContact CB-CG2 3.57Å; R223-V229 HydrophobicContact CG-CG2 4.33Å
230F98.7Very high97.7Very high2 Ų213.8 Ų13.81%0.0098%0.081CC..EExtended strand (participates in β ladder)trans-113.3131.8161.5170.6-108.9000107.7L105 M106 V107 I125 L164 A168 V232 F269 I272L105-F230 PolarHBondContact O-N 2.77Å; M106-F230 CarbonylContact C-O 3.53Å; M106-F230 VanDerWaalsContact CA-O 3.29Å; M106-F230 WeakPolarHBondContact CA-O 3.31Å; M106-F230 HydrophobicContact CB-CD1 4.33Å; M106-F230 HydrophobicContact CE-CD1 3.6Å; M106-F230 HydrophobicContact CE-CE1 3.94Å; M106-F230 HydrophobicContact CG-CB 4.39Å; M106-F230 HydrophobicContact CG-CD1 4.24Å; V107-F230 PolarHBondContact N-O 2.76Å; I125-F230 HydrophobicContact CD1-CE2 4.49Å; I125-F230 HydrophobicContact CG1-CE2 4.18Å; I125-F230 HydrophobicContact CG1-CZ 4.42Å; I125-F230 HydrophobicContact CG2-CD2 4.49Å; I125-F230 HydrophobicContact CG2-CE2 3.87Å; L164-F230 HydrophobicContact CB-CB 4.07Å; L164-F230 HydrophobicContact CB-CD2 4.43Å; L164-F230 HydrophobicContact CD1-CB 3.92Å; A168-F230 HydrophobicContact CB-CD2 4.24Å; A168-F230 HydrophobicContact CB-CE2 3.32Å; A168-F230 HydrophobicContact CB-CZ 3.52Å; F230-V232 HydrophobicContact CZ-CB 4.43Å; F230-F269 HydrophobicContact CD1-CZ 4.39Å; F230-F269 AromaticContact CE1-CE2 3.82Å; F230-F269 HydrophobicContact CE1-CE2 3.82Å; F230-F269 AromaticContact CE1-CZ 3.98Å; F230-F269 HydrophobicContact CE1-CZ 3.98Å; F230-I272 HydrophobicContact CE1-CD1 3.88Å; F230-I272 HydrophobicContact CZ-CD1 3.95Å
231A98.7Very high97.5Very high1 Ų116.1 Ų16.11%0.0089%0.093CC..EExtended strand (participates in β ladder)trans-136.5141.3178.200000111.4V107 L126 Y160 T215V107-A231 HydrophobicContact CB-CB 4.13Å; V107-A231 CarbonylContact O-C 3.59Å; V107-A231 VanDerWaalsContact O-CA 3.23Å; V107-A231 WeakPolarHBondContact O-CA 3.37Å; L126-A231 HydrophobicContact CB-CB 4.21Å; L126-A231 HydrophobicContact CD1-CB 3.88Å; L126-A231 HydrophobicContact CG-CB 4.1Å; L126-A231 PolarHBondContact N-O 2.69Å; Y160-A231 HydrophobicContact CD1-CB 3.73Å; Y160-A231 HydrophobicContact CE1-CB 3.58Å; T215-A231 HydrophobicContact CG2-CB 4.49Å
232V98.4Very high97.3Very high0 Ų020.5 Ų20.50%012%0.116CC..EExtended strand (participates in β ladder)trans-132.5135.9177.370.50000110.3V107 S108 N109 F123 V124 F230 M265 W268 F269V107-V232 PolarHBondContact O-N 3.39Å; S108-V232 CarbonylContact C-O 3.55Å; S108-V232 VanDerWaalsContact CA-O 3.3Å; S108-V232 WeakPolarHBondContact CA-O 3.34Å; N109-V232 PolarHBondContact N-O 3.21Å; F123-V232 HydrophobicContact CB-CG2 3.88Å; F123-V232 HydrophobicContact CD1-CG2 4.33Å; V124-V232 CarbonylContact O-C 3.36Å; V124-V232 WeakPolarHBondContact O-CA 3.31Å; F230-V232 HydrophobicContact CZ-CB 4.43Å; V232-M265 HydrophobicContact CG1-CE 3.96Å; V232-M265 HydrophobicContact CG1-SD 4.36Å; V232-W268 HydrophobicContact CG2-CH2 4.23Å; V232-W268 HydrophobicContact CG2-CZ3 3.85Å; V232-F269 HydrophobicContact CG1-CE2 3.76Å; V232-F269 HydrophobicContact CG1-CZ 3.82Å
233S98.5Very high97.1Very high0 Ų025.8 Ų25.80%015%0.148CC..EExtended strand (participates in β ladder)trans-99.2134.5167.3-73.60000109.5N109 F123 V124N109-S233 VanDerWaalsContact CG-OG 3.27Å; N109-S233 PolarHBondContact ND2-OG 3.31Å; N109-S233 VanDerWaalsContact ND2-OG 3.15Å; N109-S233 CarbonylContact O-C 3.51Å; N109-S233 WeakPolarHBondContact O-CA 3.47Å; N109-S233 WeakPolarHBondContact OD1-CA 3.47Å; N109-S233 VanDerWaalsContact OD1-CB 3.31Å; N109-S233 WeakPolarHBondContact OD1-CB 3.1Å; N109-S233 PolarHBondContact OD1-OG 3.32Å; F123-S233 CarbonylContact C-O 3.5Å; F123-S233 WeakPolarHBondContact CA-O 3.38Å; V124-S233 PolarHBondContact N-O 3.27Å; V124-S233 PolarHBondContact O-N 3.48Å
234L98Very high97Very high0 Ų030.7 Ų30.70%017%0.174CC..EExtended strand (participates in β ladder)trans-90.3125162.3172.462.6000107.9L29 N109 A111 F123 T236 T257 R261 M265L29-L234 HydrophobicContact CD2-CD2 3.91Å; N109-L234 PolarHBondContact O-N 3.13Å; A111-L234 PolarHBondContact N-O 3.4Å; F123-L234 HydrophobicContact CD1-CB 4.37Å; F123-L234 HydrophobicContact CD1-CD1 4Å; F123-L234 HydrophobicContact CE1-CB 4.44Å; F123-L234 HydrophobicContact CE1-CD1 3.78Å; F123-L234 HydrophobicContact CZ-CD1 4.49Å; L234-T236 HydrophobicContact CB-CG2 4.39Å; L234-T236 HydrophobicContact CD2-CG2 3.92Å; L234-T236 HydrophobicContact CG-CG2 3.83Å; L234-T236 PolarHBondContact O-N 3.28Å; L234-T236 VanDerWaalsContact O-N 3.08Å; L234-T257 HydrophobicContact CD2-CG2 4.45Å; L234-R261 HydrophobicContact CD1-CB 3.89Å; L234-R261 HydrophobicContact CD1-CG 3.79Å; L234-R261 HydrophobicContact CD2-CB 3.91Å; L234-R261 HydrophobicContact CD2-CG 4.48Å; L234-M265 HydrophobicContact CB-CE 4.15Å
235V98Very high96.7Very high0 Ų032.5 Ų32.50%019%0.187CC..EExtended strand (participates in β ladder)trans-72.8101.2174.7-179.40000108.4A111 L118 K119 G121 D122 V124 V210 I238A111-V235 WeakPolarHBondContact O-CA 3.18Å; L118-V235 HydrophobicContact CB-CG2 4.35Å; L118-V235 HydrophobicContact CD1-CG2 4.19Å; K119-V235 WeakPolarHBondContact O-CB 3.48Å; K119-V235 WeakPolarHBondContact O-CG1 3.38Å; G121-V235 PolarHBondContact N-O 2.93Å; D122-V235 HydrophobicContact CB-CB 4.5Å; D122-V235 HydrophobicContact CB-CG2 4.27Å; D122-V235 PolarHBondContact O-N 3.37Å; V124-V235 HydrophobicContact CG2-CG2 3.91Å; V210-V235 HydrophobicContact CG1-CG2 4.04Å; V235-I238 HydrophobicContact CG1-CD1 3.78Å
236T96.3Very high96.5Very high1 Ų139.5 Ų39.51%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-99.7-20-173.847.50000114A110 A111 L120 L234 V254 T257A110-T236 HydrophobicContact CB-CG2 3.64Å; A111-T236 PolarHBondContact N-OG1 3.46Å; A111-T236 PolarHBondContact O-N 2.76Å; A111-T236 PolarHBondContact O-OG1 3.08Å; L120-T236 WeakPolarHBondContact CD2-O 3.5Å; L234-T236 HydrophobicContact CB-CG2 4.39Å; L234-T236 HydrophobicContact CD2-CG2 3.92Å; L234-T236 HydrophobicContact CG-CG2 3.83Å; L234-T236 PolarHBondContact O-N 3.28Å; L234-T236 VanDerWaalsContact O-N 3.08Å; T236-V254 HydrophobicContact CG2-CG1 4.26Å; T236-T257 HydrophobicContact CG2-CG2 4.24Å; T236-T257 PolarHBondContact O-OG1 2.71Å
237N95.2Very high96.2Very high7 Ų742.8 Ų42.84%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-145.6154.3172.862.6-73.7000108.2G112 G113 L120 P249G112-N237 CarbonylContact C-O 3.53Å; G112-N237 WeakPolarHBondContact CA-O 3.23Å; G112-N237 WeakPolarHBondContact CA-OD1 3.23Å; G113-N237 PolarHBondContact N-O 2.96Å; L120-N237 VanDerWaalsContact CD2-CA 3.43Å; N237-P249 HydrophobicContact CB-CB 4.43Å
238I95.4Very high95.8Very high55 Ų5550.6 Ų50.628%0.28226%0.262SS..EExtended strand (participates in β ladder)trans-94.8124.5170-60.4-57.3000107.6L120 V235L120-I238 HydrophobicContact CD2-CD1 4.37Å; L120-I238 HydrophobicContact CD2-CG1 4.01Å; L120-I238 HydrophobicContact CG-CD1 4.5Å; L120-I238 HydrophobicContact CG-CG1 4.05Å; V235-I238 HydrophobicContact CG1-CD1 3.78Å
239S95.9Very high95.3Very high2 Ų248.4 Ų48.41%0.01426%0.255CS..PPolyproline II helixtrans-65.3138.2-177.9-43.90000109.7G113 R116G113-S239 VanDerWaalsContact O-CB 3.29Å; G113-S239 WeakPolarHBondContact O-CB 3.34Å; G113-S239 PolarHBondContact O-N 2.94Å; G113-S239 PolarHBondContact O-OG 2.85Å; R116-S239 PolarHBondContact NH1-O 2.87Å; R116-S239 PolarHBondContact NH2-O 3.28Å
240V95.4Very high94.9Very high18 Ų1851 Ų5111%0.10927%0.268CS..PPolyproline II helixtrans-79.8127-179.5-178.20000108.5P197 C200 D242 L247 P249P197-V240 WeakPolarHBondContact CA-O 3.32Å; P197-V240 HydrophobicContact CG-CG1 4.04Å; C200-V240 WeakPolarHBondContact CB-O 3.47Å; V240-D242 VanDerWaalsContact CG1-O 3.23Å; V240-D242 WeakPolarHBondContact CG1-O 3.37Å; V240-L247 HydrophobicContact CG2-CB 3.89Å; V240-P249 HydrophobicContact CG2-CG 4.25Å
241L94.3Very high94.5Very high49 Ų4953.9 Ų53.926%0.25728%0.282SS..  trans-109.3-21.4177.2-57.9-177.6000112.5R116 C200 L204R116-L241 HydrophobicContact CG-CD1 4.29Å; C200-L241 HydrophobicContact CB-CD2 3.49Å; C200-L241 VanDerWaalsContact CB-CD2 3.49Å; L204-L241 HydrophobicContact CD2-CD1 3.69Å
242D94.6Very high94.2Very high95 Ų9561.4 Ų61.451%0.50832%0.317SS..  trans-96.7126.2-179.1-175.43.8000109.9V240 E244 S245V240-D242 VanDerWaalsContact CG1-O 3.23Å; V240-D242 WeakPolarHBondContact CG1-O 3.37Å; D242-E244 PolarHBondContact O-N 3.35Å; D242-E244 PolarHBondContact OD1-N 3.19Å; D242-S245 VanDerWaalsContact O-CB 3.32Å; D242-S245 WeakPolarHBondContact O-CB 3.44Å; D242-S245 PolarHBondContact O-N 2.86Å
243V94.7Very high93.8Very high111 Ų11165.7 Ų65.767%0.67334%0.337SS*.THydrogen-bonded Turntrans-67.6-23.1178.969.70000112.4S245V243-S245 VanDerWaalsContact C-N 3.31Å
244E95.6Very high93.4Very high157 Ų15766 Ų6673%0.73434%0.339SS*.THydrogen-bonded Turntrans-87.82.3178-56.4-58.2145.100112.8D242D242-E244 PolarHBondContact O-N 3.35Å; D242-E244 PolarHBondContact OD1-N 3.19Å
245S92.8Very high93.1Very high44 Ų4468.2 Ų68.231%0.30835%0.35SS..  trans-76.1132.2179-169.70000112.2D242 V243 L247D242-S245 VanDerWaalsContact O-CB 3.32Å; D242-S245 WeakPolarHBondContact O-CB 3.44Å; D242-S245 PolarHBondContact O-N 2.86Å; V243-S245 VanDerWaalsContact C-N 3.31Å; S245-L247 PolarHBondContact O-N 3.11Å; S245-L247 PolarHBondContact OG-N 3.41Å
246D92.4Very high92.9Very high151 Ų15171 Ų7181%0.80737%0.373SS*.  trans-77.7-5.9172.6-72.5-45.1000114.1K248D246-K248 PolarHBondContact O-N 2.88Å
247L90.8Very high92.7Very high125 Ų12571.7 Ų71.765%0.65438%0.377SS*.  trans-66.1130.1-177.9-68175.4000110.8V240 S245V240-L247 HydrophobicContact CG2-CB 3.89Å; S245-L247 PolarHBondContact O-N 3.11Å; S245-L247 PolarHBondContact OG-N 3.41Å
248K90Very high92.6Very high164 Ų16471.3 Ų71.371%0.71338%0.376SS*.  trans-124.899.3179.5-67.2177.5-171.6175.50109.7D246 N250D246-K248 PolarHBondContact O-N 2.88Å; K248-N250 PolarHBondContact O-N 2.87Å; K248-N250 PolarHBondContact O-ND2 2.84Å; K248-N250 VanDerWaalsContact O-ND2 3.1Å
249P89.1Confident92.3Very high35 Ų3571.2 Ų71.223%0.22738%0.383CS..  trans-52.9134.1172.8-24.934.1000110.4Y194 N237 V240Y194-P249 HydrophobicContact CD1-CB 3.88Å; Y194-P249 HydrophobicContact CD2-CB 4.43Å; Y194-P249 HydrophobicContact CE1-CB 4.04Å; Y194-P249 HydrophobicContact CG-CB 4.08Å; N237-P249 HydrophobicContact CB-CB 4.43Å; V240-P249 HydrophobicContact CG2-CG 4.25Å
250N90.7Very high92.2Very high53 Ų5378 Ų7828%0.28341%0.414SS..  trans-143.7160.5-177.462.572.1000111.2K248 E252 E253 V254K248-N250 PolarHBondContact O-N 2.87Å; K248-N250 PolarHBondContact O-ND2 2.84Å; K248-N250 VanDerWaalsContact O-ND2 3.1Å; N250-E252 VanDerWaalsContact C-N 3.28Å; N250-E252 PolarHBondContact O-N 3.46Å; N250-E252 WeakPolarHBondContact OD1-CB 3.39Å; N250-E252 PolarHBondContact OD1-N 3.31Å; N250-E253 PolarHBondContact ND2-OE1 2.84Å; N250-E253 WeakPolarHBondContact OD1-CG 3.42Å; N250-E253 PolarHBondContact OD1-N 2.91Å; N250-V254 WeakPolarHBondContact O-CG2 3.37Å; N250-V254 PolarHBondContact O-N 3.41Å
251H89.6Confident92.1Very high64 Ų6479.6 Ų79.630%0.29642%0.418SS..Hα-helixtrans-70.1-24.9-175.5-166.466.3000113V56 V254 L255V56-H251 PolarHBondContact O-NE2 3.19Å; H251-V254 WeakPolarHBondContact O-CB 3.46Å; H251-V254 PolarHBondContact O-N 3.33Å; H251-L255 WeakPolarHBondContact O-CG 3.46Å; H251-L255 PolarHBondContact O-N 3.38Å
252E91.7Very high92Very high159 Ų15977.3 Ų77.374%0.74341%0.407SS*.Hα-helixtrans-66.1-47.1178.1-174.7178.5174.700111.3N250 V254 L255 A256N250-E252 VanDerWaalsContact C-N 3.28Å; N250-E252 PolarHBondContact O-N 3.46Å; N250-E252 WeakPolarHBondContact OD1-CB 3.39Å; N250-E252 PolarHBondContact OD1-N 3.31Å; E252-V254 PolarHBondContact O-N 2.95Å; E252-L255 PolarHBondContact O-N 3.08Å; E252-A256 WeakPolarHBondContact O-CB 3.4Å; E252-A256 PolarHBondContact O-N 3.44Å
253E90.5Very high91.9Very high89 Ų8979.2 Ų79.242%0.41641%0.412SS..Hα-helixtrans-58.2-37.3172.9-75.5171.7-16200112.1N250 A256 T257N250-E253 PolarHBondContact ND2-OE1 2.84Å; N250-E253 WeakPolarHBondContact OD1-CG 3.42Å; N250-E253 PolarHBondContact OD1-N 2.91Å; E253-A256 PolarHBondContact O-N 3.1Å; E253-T257 WeakPolarHBondContact O-CB 3.35Å; E253-T257 PolarHBondContact O-N 2.81Å; E253-T257 PolarHBondContact O-OG1 3.1Å
254V91Very high92Very high7 Ų776 Ų764%0.04239%0.391CS..Hα-helixtrans-61-48.7176.3171.40000111.3A110 T236 N250 H251 E252 G258A110-V254 HydrophobicContact CB-CG1 3.58Å; T236-V254 HydrophobicContact CG2-CG1 4.26Å; N250-V254 WeakPolarHBondContact O-CG2 3.37Å; N250-V254 PolarHBondContact O-N 3.41Å; H251-V254 WeakPolarHBondContact O-CB 3.46Å; H251-V254 PolarHBondContact O-N 3.33Å; E252-V254 PolarHBondContact O-N 2.95Å; V254-G258 PolarHBondContact O-N 3.17Å
255L91.7Very high92Very high46 Ų4668.6 Ų68.624%0.24136%0.356CS..Hα-helixtrans-67.5-40.3179.3-65.3177.9000112.1V56 H251 E252 G258 A259V56-L255 HydrophobicContact CG1-CD1 3.95Å; H251-L255 WeakPolarHBondContact O-CG 3.46Å; H251-L255 PolarHBondContact O-N 3.38Å; E252-L255 PolarHBondContact O-N 3.08Å; L255-G258 PolarHBondContact O-N 3.23Å; L255-A259 WeakPolarHBondContact O-CB 3.4Å; L255-A259 PolarHBondContact O-N 2.96Å
256A92.8Very high92.1Very high59 Ų5968 Ų6849%0.48835%0.349SS..Hα-helixtrans-62.2-49.1178.800000111.8E252 E253 G258 A259 Q260E252-A256 WeakPolarHBondContact O-CB 3.4Å; E252-A256 PolarHBondContact O-N 3.44Å; E253-A256 PolarHBondContact O-N 3.1Å; A256-G258 PolarHBondContact O-N 3.06Å; A256-A259 PolarHBondContact O-N 3.32Å; A256-Q260 PolarHBondContact O-N 3.45Å
257T92.8Very high92.3Very high15 Ų1562.7 Ų62.79%0.09232%0.323CS..Hα-helixtrans-65.9-39.7178.2-56.40000111.5L234 T236 E253 A259 Q260 R261L234-T257 HydrophobicContact CD2-CG2 4.45Å; T236-T257 HydrophobicContact CG2-CG2 4.24Å; T236-T257 PolarHBondContact O-OG1 2.71Å; E253-T257 WeakPolarHBondContact O-CB 3.35Å; E253-T257 PolarHBondContact O-N 2.81Å; E253-T257 PolarHBondContact O-OG1 3.1Å; T257-A259 PolarHBondContact O-N 2.91Å; T257-Q260 PolarHBondContact O-N 3.07Å; T257-R261 PolarHBondContact O-N 3.24Å
258G91.9Very high92.6Very high0 Ų056.7 Ų56.70%029%0.292CS..Hα-helixtrans-53.8-51.1171.400000112.3G28 V254 L255 A256 Q260 R261 A262G28-G258 CarbonylContact O-C 3.56Å; V254-G258 PolarHBondContact O-N 3.17Å; L255-G258 PolarHBondContact O-N 3.23Å; A256-G258 PolarHBondContact O-N 3.06Å; G258-Q260 VanDerWaalsContact C-N 3.33Å; G258-Q260 PolarHBondContact O-N 2.96Å; G258-R261 PolarHBondContact O-N 3.39Å; G258-A262 WeakPolarHBondContact O-CB 3.35Å; G258-A262 PolarHBondContact O-N 2.92Å
259A90.3Very high93Very high52 Ų5248.9 Ų48.943%0.4326%0.258SS..Hα-helixtrans-61.6-39.1179.500000112.8L255 A256 T257 R261L255-A259 WeakPolarHBondContact O-CB 3.4Å; L255-A259 PolarHBondContact O-N 2.96Å; A256-A259 PolarHBondContact O-N 3.32Å; T257-A259 PolarHBondContact O-N 2.91Å; A259-R261 VanDerWaalsContact C-N 3.3Å; A259-R261 PolarHBondContact O-N 3.31Å
260Q93.1Very high93.3Very high144 Ų14449.7 Ų49.767%0.67326%0.259SS*.Hα-helixtrans-63.7-33.4178.3-172.1-174.611.300112.9A256 T257 G258A256-Q260 PolarHBondContact O-N 3.45Å; T257-Q260 PolarHBondContact O-N 3.07Å; G258-Q260 VanDerWaalsContact C-N 3.33Å; G258-Q260 PolarHBondContact O-N 2.96Å
261R94.5Very high93.7Very high53 Ų5350 Ų5020%0.226%0.258CS..Hα-helixtrans-103.1-4.9-175.7-72-60-162.1-157.7-3.2114.7G121 F123 L234 T257 G258 A259 E263 L264 M265G121-R261 PolarHBondContact O-NE 3.42Å; F123-R261 HydrophobicContact CE1-CB 4.21Å; F123-R261 HydrophobicContact CZ-CB 3.9Å; F123-R261 HydrophobicContact CZ-CG 4.3Å; L234-R261 HydrophobicContact CD1-CB 3.89Å; L234-R261 HydrophobicContact CD1-CG 3.79Å; L234-R261 HydrophobicContact CD2-CB 3.91Å; L234-R261 HydrophobicContact CD2-CG 4.48Å; T257-R261 PolarHBondContact O-N 3.24Å; G258-R261 PolarHBondContact O-N 3.39Å; A259-R261 VanDerWaalsContact C-N 3.3Å; A259-R261 PolarHBondContact O-N 3.31Å; R261-E263 PolarHBondContact O-N 3.04Å; R261-L264 PolarHBondContact O-N 3.45Å; R261-M265 PolarHBondContact O-N 2.97Å
262A91.8Very high94.1Very high1 Ų147.1 Ų47.11%0.00824%0.244CC..Hα-helixtrans-60.5-42.7-172.200000113.6K31 G258 M265 Q266K31-A262 HydrophobicContact CB-CB 3.97Å; K31-A262 HydrophobicContact CD-CB 3.98Å; K31-A262 HydrophobicContact CG-CB 4.31Å; G258-A262 WeakPolarHBondContact O-CB 3.35Å; G258-A262 PolarHBondContact O-N 2.92Å; A262-M265 PolarHBondContact O-N 3.41Å; A262-Q266 VanDerWaalsContact O-CB 3.31Å; A262-Q266 WeakPolarHBondContact O-CB 3.46Å; A262-Q266 PolarHBondContact O-N 3.36Å
263E93Very high94.4Very high135 Ų13539.5 Ų39.563%0.63121%0.209SC*.Hα-helixtrans-66.3-41179.3-70176-166.700112.2R261 Q266 S267R261-E263 PolarHBondContact O-N 3.04Å; E263-Q266 PolarHBondContact O-N 3.45Å; E263-S267 WeakPolarHBondContact O-CB 3.44Å; E263-S267 PolarHBondContact O-N 3.22Å
264L96Very high94.7Very high43 Ų4341.6 Ų41.623%0.22522%0.219CC..Hα-helixtrans-65.7-44.4176.4-179.857.5000111.2F123 F177 L180 R261 Q266 S267 W268F123-L264 HydrophobicContact CE2-CD2 3.81Å; F123-L264 HydrophobicContact CE2-CG 4.06Å; F123-L264 HydrophobicContact CZ-CD2 4.42Å; F123-L264 HydrophobicContact CZ-CG 4.4Å; F177-L264 HydrophobicContact CD1-CD1 3.81Å; F177-L264 HydrophobicContact CD2-CD1 4.25Å; F177-L264 HydrophobicContact CD2-CD2 4.41Å; F177-L264 HydrophobicContact CE1-CD1 3.95Å; F177-L264 HydrophobicContact CE2-CD1 4.39Å; F177-L264 HydrophobicContact CG-CD1 3.97Å; F177-L264 HydrophobicContact CG-CD2 4.45Å; F177-L264 HydrophobicContact CZ-CD1 4.25Å; L180-L264 HydrophobicContact CD1-CD2 4Å; R261-L264 PolarHBondContact O-N 3.45Å; L264-Q266 VanDerWaalsContact C-N 3.31Å; L264-Q266 PolarHBondContact O-N 3.29Å; L264-S267 PolarHBondContact O-N 2.84Å; L264-W268 WeakPolarHBondContact O-CB 3.45Å; L264-W268 PolarHBondContact O-N 3.33Å
265M96.1Very high95Very high1 Ų145.8 Ų45.81%0.00524%0.236CC..Hα-helixtrans-62.2-41.3175.9-175.6-178.9-71.500111.4L29 S108 F123 V232 L234 R261 A262 W268 F269L29-M265 HydrophobicContact CB-SD 4.41Å; L29-M265 HydrophobicContact CD1-CE 3.62Å; L29-M265 HydrophobicContact CD1-SD 3.74Å; L29-M265 HydrophobicContact CD2-CE 3.75Å; L29-M265 HydrophobicContact CD2-SD 3.76Å; L29-M265 HydrophobicContact CG-CE 4.31Å; L29-M265 HydrophobicContact CG-SD 4.17Å; S108-M265 WeakPolarHBondContact CB-SD 3.43Å; F123-M265 HydrophobicContact CD1-CE 3.73Å; F123-M265 HydrophobicContact CE1-CB 4.01Å; F123-M265 HydrophobicContact CE1-CE 3.42Å; F123-M265 VanDerWaalsContact CE1-CE 3.42Å; F123-M265 HydrophobicContact CE1-CG 4.44Å; F123-M265 HydrophobicContact CZ-CB 4.11Å; V232-M265 HydrophobicContact CG1-CE 3.96Å; V232-M265 HydrophobicContact CG1-SD 4.36Å; L234-M265 HydrophobicContact CB-CE 4.15Å; R261-M265 PolarHBondContact O-N 2.97Å; A262-M265 PolarHBondContact O-N 3.41Å; M265-W268 PolarHBondContact O-N 2.84Å; M265-F269 HydrophobicContact CG-CD2 4.01Å; M265-F269 HydrophobicContact CG-CE2 3.93Å; M265-F269 WeakPolarHBondContact O-CD2 3.44Å; M265-F269 PolarHBondContact O-N 2.8Å; M265-F269 HydrophobicContact SD-CE2 4.4Å
266Q94.9Very high95.2Very high33 Ų3344 Ų4415%0.15423%0.227CC..Hα-helixtrans-59.1-53.5176-177.4-165.6-11.300111.5L32 A262 E263 L264 W268 F269 E270L32-Q266 HydrophobicContact CD1-CB 4.16Å; L32-Q266 HydrophobicContact CD1-CG 4.24Å; A262-Q266 VanDerWaalsContact O-CB 3.31Å; A262-Q266 WeakPolarHBondContact O-CB 3.46Å; A262-Q266 PolarHBondContact O-N 3.36Å; E263-Q266 PolarHBondContact O-N 3.45Å; L264-Q266 VanDerWaalsContact C-N 3.31Å; L264-Q266 PolarHBondContact O-N 3.29Å; Q266-W268 PolarHBondContact O-N 3.06Å; Q266-F269 PolarHBondContact O-N 3.35Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.31Å; Q266-E270 PolarHBondContact NE2-OE1 2.89Å; Q266-E270 WeakPolarHBondContact O-CG 3.45Å; Q266-E270 PolarHBondContact O-N 2.91Å
267S95.7Very high95.1Very high38 Ų3846.4 Ų46.427%0.26624%0.238SC..Hα-helixtrans-56.3-39.9176.7-171.20000111.8E263 L264 K271E263-S267 WeakPolarHBondContact O-CB 3.44Å; E263-S267 PolarHBondContact O-N 3.22Å; L264-S267 PolarHBondContact O-N 2.84Å; S267-K271 VanDerWaalsContact O-CG 3.27Å; S267-K271 WeakPolarHBondContact O-CG 3.41Å; S267-K271 PolarHBondContact O-N 2.86Å; S267-K271 VanDerWaalsContact O-N 3.1Å
268W97.6Very high94.5Very high0 Ų053.9 Ų53.90%027%0.269CS..Hα-helixtrans-65.4-46.2178.1-171.821.5000112.4F123 I125 A168 A172 F177 V181 V232 L264 M265 Q266 K271 I272F123-W268 HydrophobicContact CB-CH2 4.29Å; F123-W268 HydrophobicContact CB-CZ3 3.73Å; F123-W268 HydrophobicContact CD1-CZ3 4.38Å; F123-W268 HydrophobicContact CD2-CE3 4.43Å; F123-W268 HydrophobicContact CD2-CZ3 4.14Å; F123-W268 HydrophobicContact CG-CE3 4.42Å; F123-W268 AromaticContact CG-CZ3 3.84Å; F123-W268 HydrophobicContact CG-CZ3 3.84Å; I125-W268 HydrophobicContact CD1-CH2 3.96Å; I125-W268 HydrophobicContact CD1-CZ2 3.92Å; I125-W268 HydrophobicContact CG1-CH2 3.74Å; I125-W268 HydrophobicContact CG1-CZ2 4.2Å; A168-W268 HydrophobicContact CB-CZ2 3.89Å; A168-W268 WeakPolarHBondContact O-CZ2 3.44Å; A168-W268 PolarHBondContact O-NE1 3.25Å; A172-W268 HydrophobicContact CB-CZ2 4.2Å; F177-W268 HydrophobicContact CE2-CB 4.29Å; F177-W268 AromaticContact CE2-CD2 3.87Å; F177-W268 HydrophobicContact CE2-CD2 3.87Å; F177-W268 HydrophobicContact CE2-CE3 4.26Å; F177-W268 AromaticContact CE2-CG 3.89Å; F177-W268 HydrophobicContact CE2-CG 3.89Å; F177-W268 HydrophobicContact CZ-CB 3.77Å; F177-W268 AromaticContact CZ-CD1 3.66Å; F177-W268 HydrophobicContact CZ-CD2 4.05Å; F177-W268 AromaticContact CZ-CG 3.56Å; F177-W268 HydrophobicContact CZ-CG 3.56Å; V181-W268 HydrophobicContact CB-CH2 4.37Å; V181-W268 HydrophobicContact CG1-CH2 3.63Å; V181-W268 HydrophobicContact CG1-CZ2 3.87Å; V181-W268 HydrophobicContact CG2-CH2 3.75Å; V181-W268 HydrophobicContact CG2-CZ2 4.03Å; V181-W268 HydrophobicContact CG2-CZ3 4.15Å; V232-W268 HydrophobicContact CG2-CH2 4.23Å; V232-W268 HydrophobicContact CG2-CZ3 3.85Å; L264-W268 WeakPolarHBondContact O-CB 3.45Å; L264-W268 PolarHBondContact O-N 3.33Å; M265-W268 PolarHBondContact O-N 2.84Å; Q266-W268 PolarHBondContact O-N 3.06Å; W268-K271 PolarHBondContact O-N 2.9Å; W268-I272 HydrophobicContact CD2-CD1 4.21Å; W268-I272 HydrophobicContact CG-CD1 4.08Å; W268-I272 VanDerWaalsContact O-CG1 3.29Å; W268-I272 WeakPolarHBondContact O-CG1 3.29Å; W268-I272 PolarHBondContact O-N 3.03Å
269F97.5Very high93.3Very high0 Ų062 Ų620%031%0.312CS..Hα-helixtrans-63.5-43.2177.7-88.1-135.2000111.4I23 L32 M106 F230 V232 M265 Q266 K271 I272 I273I23-F269 HydrophobicContact CG2-CD1 4.32Å; I23-F269 HydrophobicContact CG2-CE1 4.28Å; L32-F269 HydrophobicContact CD1-CB 3.69Å; L32-F269 HydrophobicContact CD1-CD1 3.91Å; L32-F269 HydrophobicContact CD1-CG 3.89Å; L32-F269 HydrophobicContact CD2-CD1 3.65Å; L32-F269 HydrophobicContact CD2-CE1 3.79Å; L32-F269 HydrophobicContact CD2-CG 4.33Å; L32-F269 HydrophobicContact CG-CD1 4.4Å; M106-F269 HydrophobicContact CB-CD1 4.16Å; M106-F269 HydrophobicContact CB-CE1 3.67Å; M106-F269 HydrophobicContact CB-CZ 4.44Å; M106-F269 HydrophobicContact CE-CB 4.31Å; M106-F269 HydrophobicContact CE-CD1 3.64Å; M106-F269 HydrophobicContact CE-CD2 4.24Å; M106-F269 HydrophobicContact CE-CE1 3.95Å; M106-F269 HydrophobicContact CE-CE2 4.49Å; M106-F269 HydrophobicContact CE-CG 3.81Å; M106-F269 HydrophobicContact CE-CZ 4.36Å; M106-F269 HydrophobicContact SD-CD1 4.28Å; F230-F269 HydrophobicContact CD1-CZ 4.39Å; F230-F269 AromaticContact CE1-CE2 3.82Å; F230-F269 HydrophobicContact CE1-CE2 3.82Å; F230-F269 AromaticContact CE1-CZ 3.98Å; F230-F269 HydrophobicContact CE1-CZ 3.98Å; V232-F269 HydrophobicContact CG1-CE2 3.76Å; V232-F269 HydrophobicContact CG1-CZ 3.82Å; M265-F269 HydrophobicContact CG-CD2 4.01Å; M265-F269 HydrophobicContact CG-CE2 3.93Å; M265-F269 WeakPolarHBondContact O-CD2 3.44Å; M265-F269 PolarHBondContact O-N 2.8Å; M265-F269 HydrophobicContact SD-CE2 4.4Å; Q266-F269 PolarHBondContact O-N 3.35Å; F269-K271 VanDerWaalsContact C-N 3.3Å; F269-K271 PolarHBondContact O-N 2.92Å; F269-I272 PolarHBondContact O-N 2.86Å; F269-I273 WeakPolarHBondContact O-CB 3.36Å; F269-I273 WeakPolarHBondContact O-CD1 3.47Å; F269-I273 WeakPolarHBondContact O-CG1 3.46Å; F269-I273 PolarHBondContact O-N 2.86Å
270E96.8Very high93.4Very high51 Ų5162.6 Ų62.624%0.23831%0.306CS..Hα-helixtrans-54.9-46174.8-77.2173-169.700111.5G35 L67 S68 Q266 I273 E274G35-E270 WeakPolarHBondContact CA-OE1 3.49Å; L67-E270 HydrophobicContact CD1-CG 3.53Å; L67-E270 HydrophobicContact CD2-CG 4.23Å; L67-E270 HydrophobicContact CG-CG 3.84Å; S68-E270 WeakPolarHBondContact CB-O 3.48Å; S68-E270 WeakPolarHBondContact OG-CA 3.31Å; S68-E270 PolarHBondContact OG-O 2.95Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.31Å; Q266-E270 PolarHBondContact NE2-OE1 2.89Å; Q266-E270 WeakPolarHBondContact O-CG 3.45Å; Q266-E270 PolarHBondContact O-N 2.91Å; E270-I273 PolarHBondContact O-N 2.84Å; E270-E274 WeakPolarHBondContact O-CB 3.44Å; E270-E274 PolarHBondContact O-N 3.12Å
271K97.6Very high93.4Very high61 Ų6158.3 Ų58.327%0.26529%0.287SS..Hα-helixtrans-72.4-36-179.8-69.1174.4-174.5-179.20113.4V171 N175 S267 W268 F269 I273 K275V171-K271 HydrophobicContact CG1-CB 3.46Å; V171-K271 VanDerWaalsContact CG1-CB 3.46Å; V171-K271 HydrophobicContact CG1-CD 4.42Å; N175-K271 WeakPolarHBondContact OD1-CD 3.32Å; N175-K271 WeakPolarHBondContact OD1-CE 3.36Å; N175-K271 PolarHBondContact OD1-NZ 3.34Å; S267-K271 VanDerWaalsContact O-CG 3.27Å; S267-K271 WeakPolarHBondContact O-CG 3.41Å; S267-K271 PolarHBondContact O-N 2.86Å; S267-K271 VanDerWaalsContact O-N 3.1Å; W268-K271 PolarHBondContact O-N 2.9Å; F269-K271 VanDerWaalsContact C-N 3.3Å; F269-K271 PolarHBondContact O-N 2.92Å; K271-I273 VanDerWaalsContact C-N 3.35Å; K271-K275 PolarHBondContact O-N 2.98Å
272I98.3Very high93.4Very high2 Ų258.6 Ų58.61%0.0129%0.292CS..Hα-helixtrans-60.1-49.8171.2-68.4163.6000109.3M106 L167 A168 V171 F230 W268 F269 E274 K275 L276M106-I272 HydrophobicContact CE-CB 4.13Å; M106-I272 HydrophobicContact CE-CD1 4.22Å; M106-I272 HydrophobicContact CE-CG2 3.83Å; L167-I272 HydrophobicContact CD2-CG2 4.18Å; A168-I272 HydrophobicContact CB-CD1 3.69Å; A168-I272 HydrophobicContact CB-CG1 4.23Å; V171-I272 HydrophobicContact CB-CG1 4.28Å; V171-I272 HydrophobicContact CG1-CG1 4.33Å; V171-I272 HydrophobicContact CG2-CG1 4.32Å; F230-I272 HydrophobicContact CE1-CD1 3.88Å; F230-I272 HydrophobicContact CZ-CD1 3.95Å; W268-I272 HydrophobicContact CD2-CD1 4.21Å; W268-I272 HydrophobicContact CG-CD1 4.08Å; W268-I272 VanDerWaalsContact O-CG1 3.29Å; W268-I272 WeakPolarHBondContact O-CG1 3.29Å; W268-I272 PolarHBondContact O-N 3.03Å; F269-I272 PolarHBondContact O-N 2.86Å; I272-E274 VanDerWaalsContact C-N 3.32Å; I272-E274 PolarHBondContact O-N 3.14Å; I272-K275 PolarHBondContact O-N 2.75Å; I272-K275 VanDerWaalsContact O-N 3.13Å; I272-L276 PolarHBondContact O-N 3.23Å
273I98Very high93.5Very high0 Ų061.9 Ų61.90%031%0.309CS..Hα-helixtrans-63.1-38.9-177.2-70.5168.1000111.6I21 I23 L67 R70 M106 F269 E270 K271 K275 L276I21-I273 HydrophobicContact CD1-CG1 4.25Å; I21-I273 HydrophobicContact CD1-CG2 3.83Å; I23-I273 HydrophobicContact CD1-CD1 3.95Å; L67-I273 HydrophobicContact CD2-CD1 3.63Å; L67-I273 HydrophobicContact CG-CD1 4.27Å; L67-I273 WeakPolarHBondContact O-CG2 3.35Å; R70-I273 HydrophobicContact CB-CG2 3.6Å; R70-I273 HydrophobicContact CG-CG2 3.45Å; R70-I273 VanDerWaalsContact CG-CG2 3.45Å; M106-I273 HydrophobicContact CE-CG1 4.28Å; M106-I273 HydrophobicContact SD-CD1 3.78Å; M106-I273 HydrophobicContact SD-CG1 3.56Å; M106-I273 VanDerWaalsContact SD-CG1 3.56Å; F269-I273 WeakPolarHBondContact O-CB 3.36Å; F269-I273 WeakPolarHBondContact O-CD1 3.47Å; F269-I273 WeakPolarHBondContact O-CG1 3.46Å; F269-I273 PolarHBondContact O-N 2.86Å; E270-I273 PolarHBondContact O-N 2.84Å; K271-I273 VanDerWaalsContact C-N 3.35Å; I273-K275 VanDerWaalsContact C-N 3.26Å; I273-K275 PolarHBondContact O-N 3.41Å; I273-L276 HydrophobicContact CG1-CD1 4.38Å; I273-L276 WeakPolarHBondContact O-CB 3.32Å; I273-L276 PolarHBondContact O-N 3.37Å
274E96.7Very high93.5Very high133 Ų13357.4 Ų57.462%0.62129%0.289SS*.Hα-helixtrans-58.2-38.2175.3-173.3179-176.900112.4E270 I272E270-E274 WeakPolarHBondContact O-CB 3.44Å; E270-E274 PolarHBondContact O-N 3.12Å; I272-E274 VanDerWaalsContact C-N 3.32Å; I272-E274 PolarHBondContact O-N 3.14Å
275K97.6Very high93.3Very high94 Ų9458.3 Ų58.341%0.40929%0.293SS..Hα-helixtrans-89-3.7-178.2-67.2-162.1175-156.10114.8L167 V171 E174 K271 I272 I273L167-K275 HydrophobicContact CD1-CB 3.81Å; L167-K275 HydrophobicContact CD1-CD 4.19Å; L167-K275 HydrophobicContact CD2-CB 4.27Å; V171-K275 HydrophobicContact CG2-CD 3.98Å; E174-K275 VanDerWaalsContact CD-NZ 3.29Å; E174-K275 IonicContact OE1-NZ 3.67Å; E174-K275 PolarHBondContact OE1-NZ 3.1Å; E174-K275 VanDerWaalsContact OE1-NZ 3.16Å; E174-K275 WeakPolarHBondContact OE2-CE 3.23Å; E174-K275 IonicContact OE2-NZ 3.08Å; E174-K275 PolarHBondContact OE2-NZ 2.92Å; K271-K275 PolarHBondContact O-N 2.98Å; I272-K275 PolarHBondContact O-N 2.75Å; I272-K275 VanDerWaalsContact O-N 3.13Å; I273-K275 VanDerWaalsContact C-N 3.26Å; I273-K275 PolarHBondContact O-N 3.41Å
276L96.9Very high93.1Very high10 Ų1062.4 Ų62.45%0.05231%0.313CS..SBendtrans-63.3139.1174.6-72.8174.2000110.2I21 R70 I104 L164 L167 I272 I273 K278I21-L276 HydrophobicContact CD1-CD1 3.77Å; I21-L276 HydrophobicContact CG1-CD1 4.28Å; R70-L276 PolarHBondContact NH1-O 3.38Å; I104-L276 HydrophobicContact CD1-CD1 3.86Å; I104-L276 HydrophobicContact CD1-CD2 4.17Å; L164-L276 HydrophobicContact CD2-CD2 3.43Å; L164-L276 VanDerWaalsContact CD2-CD2 3.43Å; L167-L276 HydrophobicContact CD2-CD2 3.97Å; I272-L276 PolarHBondContact O-N 3.23Å; I273-L276 HydrophobicContact CG1-CD1 4.38Å; I273-L276 WeakPolarHBondContact O-CB 3.32Å; I273-L276 PolarHBondContact O-N 3.37Å; L276-K278 PolarHBondContact O-N 3.02Å
277P89.4Confident93Very high109 Ų10964.7 Ų64.771%0.70833%0.326SS*.PPolyproline II helixtrans-50.3140.6169.6-25.333.9000111R70R70-P277 PolarHBondContact NH1-O 3.4Å; R70-P277 PolarHBondContact NH2-O 2.85Å
278K81Confident92.8Very high172 Ų17266.9 Ų66.975%0.74833%0.331SS*.PPolyproline II helixtrans-88.1132.3169.7-65-177.7-178.11780107.2L276L276-K278 PolarHBondContact O-N 3.02Å
279D65.8Low92.3Very high171 Ų17173 Ų7391%0.91436%0.361SS*.  trans-61.70169.4-72.3-36.6000111.1K103K103-D279 IonicContact NZ-OD1 3.71Å; K103-D279 IonicContact NZ-OD2 2.64Å; K103-D279 PolarHBondContact NZ-OD2 3.37Å

Retrieved 279 of 279 residues in 371.6 ms (Link to these results)

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