A0A5K4F3X5_SCHMA Loading...

Quinolinate phosphoribosyltransferase [decarboxylating]

AlphaFold DB , UniProt , Accession A0A5K4F3X5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 554 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.7Very low71.3Confident207 Ų20791 Ų91100%1.0250%0.502SS*.  099.50-65.4164.4179.900108.5
2A41.8Very low73.3Confident66 Ų6683.9 Ų83.955%0.54546%0.463SS..  trans-146.813.2178.200000112.4L5A2-L5 PolarHBondContact O-N 3.07Å
3C52Low75Confident28 Ų2884.8 Ų84.819%0.18946%0.459CS..G310 helixtrans-70.8-32.3-156.7-55.10000117.2L5 V6 I151C3-L5 PolarHBondContact O-N 3.32Å; C3-L5 VanDerWaalsContact O-N 3.08Å; C3-V6 PolarHBondContact O-N 2.95Å; C3-V6 VanDerWaalsContact O-N 3.12Å; C3-I151 HydrophobicContact CB-CD1 4.21Å; C3-I151 HydrophobicContact CB-CG1 3.66Å
4P56.5Low76.5Confident68 Ų6883.1 Ų83.144%0.44246%0.463SS..G310 helixtrans-71.1-5-179.229.1-35.7000114.1P54P4-P54 HydrophobicContact CB-CG 4.46Å
5L58.9Low77.7Confident154 Ų15479.3 Ų79.381%0.80644%0.441SS*.G310 helixtrans-86.4-15.4172.9-65.5178000113.7A2 C3A2-L5 PolarHBondContact O-N 3.07Å; C3-L5 PolarHBondContact O-N 3.32Å; C3-L5 VanDerWaalsContact O-N 3.08Å
6V77Confident78.9Confident93 Ų9374.3 Ų74.356%0.56441%0.413SS*.THydrogen-bonded Turntrans-85.3-27.6-173.6-169.50000112.2C3 M150C3-V6 PolarHBondContact O-N 2.95Å; C3-V6 VanDerWaalsContact O-N 3.12Å; V6-M150 HydrophobicContact CB-CE 3.88Å; V6-M150 HydrophobicContact CB-SD 4.4Å; V6-M150 HydrophobicContact CG1-CE 3.72Å; V6-M150 HydrophobicContact CG1-SD 3.72Å
7I87.8Confident79.8Confident18 Ų1872.3 Ų72.39%0.09241%0.408CS..SBendtrans-87.7134.5-172.3-161.7168.6000113.1K9 V12 P54 F55 L143 Y147I7-K9 PolarHBondContact O-N 2.93Å; I7-V12 HydrophobicContact CD1-CG2 3.44Å; I7-V12 VanDerWaalsContact CD1-CG2 3.44Å; I7-V12 HydrophobicContact CG1-CG2 3.6Å; I7-V12 HydrophobicContact CG2-CG2 4.22Å; I7-P54 HydrophobicContact CG2-CB 4.45Å; I7-F55 HydrophobicContact CD1-CE1 3.87Å; I7-F55 HydrophobicContact CD1-CE2 3.96Å; I7-F55 HydrophobicContact CD1-CZ 3.32Å; I7-L143 HydrophobicContact CD1-CD1 4.39Å; I7-L143 HydrophobicContact CD1-CD2 4.46Å; I7-L143 HydrophobicContact CD1-CG 4.28Å; I7-Y147 HydrophobicContact CB-CD2 4.11Å; I7-Y147 HydrophobicContact CB-CE2 4.02Å; I7-Y147 HydrophobicContact CD1-CD2 3.9Å; I7-Y147 HydrophobicContact CD1-CE2 4.38Å; I7-Y147 HydrophobicContact CD1-CG 4.14Å; I7-Y147 HydrophobicContact CG1-CD2 4.45Å; I7-Y147 HydrophobicContact CG2-CE2 4.18Å
8N91.6Very high80.6Confident87 Ų8775.3 Ų75.347%0.46541%0.412SS..  trans-69.7104.5176.8-177.6-15.3000110.8N10 S11 V12N8-N10 PolarHBondContact O-N 3.32Å; N8-N10 VanDerWaalsContact O-N 3.1Å; N8-N10 WeakPolarHBondContact OD1-CB 3.35Å; N8-N10 PolarHBondContact OD1-N 2.79Å; N8-S11 PolarHBondContact ND2-OG 3.18Å; N8-S11 WeakPolarHBondContact O-CA 3.33Å; N8-S11 WeakPolarHBondContact O-CB 3.46Å; N8-S11 PolarHBondContact O-N 3.21Å; N8-V12 PolarHBondContact O-N 3.25Å
9K91.3Very high81.3Confident142 Ų14272.4 Ų72.462%0.61740%0.395SS*.Hα-helixtrans-56.1-28-178.3-60.8-172.9179.5-173.50114I7 K13I7-K9 PolarHBondContact O-N 2.93Å; K9-K13 WeakPolarHBondContact O-CG 3.05Å; K9-K13 PolarHBondContact O-N 3Å
10N94Very high81.9Confident115 Ų11569.7 Ų69.762%0.61538%0.379SS*.Hα-helixtrans-75.5-35.6176.1-67.4-16.7000111.8N8 A14N8-N10 PolarHBondContact O-N 3.32Å; N8-N10 VanDerWaalsContact O-N 3.1Å; N8-N10 WeakPolarHBondContact OD1-CB 3.35Å; N8-N10 PolarHBondContact OD1-N 2.79Å; N10-A14 WeakPolarHBondContact O-CB 3.35Å; N10-A14 PolarHBondContact O-N 2.93Å
11S94.3Very high82.3Confident23 Ų2370.1 Ų70.116%0.16139%0.388CS..Hα-helixtrans-65.4-39.2171.3-58.10000111.6N8 L15N8-S11 PolarHBondContact ND2-OG 3.18Å; N8-S11 WeakPolarHBondContact O-CA 3.33Å; N8-S11 WeakPolarHBondContact O-CB 3.46Å; N8-S11 PolarHBondContact O-N 3.21Å; S11-L15 VanDerWaalsContact O-CB 3.26Å; S11-L15 WeakPolarHBondContact O-CB 3.45Å; S11-L15 PolarHBondContact O-N 2.81Å
12V95.6Very high84.7Confident6 Ų665.2 Ų65.24%0.03637%0.366CS..Hα-helixtrans-63.9-47.6176-1790000111.5I7 N8 L15 A16 P54 F55 A58I7-V12 HydrophobicContact CD1-CG2 3.44Å; I7-V12 VanDerWaalsContact CD1-CG2 3.44Å; I7-V12 HydrophobicContact CG1-CG2 3.6Å; I7-V12 HydrophobicContact CG2-CG2 4.22Å; N8-V12 PolarHBondContact O-N 3.25Å; V12-L15 PolarHBondContact O-N 3.46Å; V12-A16 WeakPolarHBondContact O-CB 3.12Å; V12-A16 PolarHBondContact O-N 3.46Å; V12-P54 VanDerWaalsContact CG1-O 3.3Å; V12-P54 WeakPolarHBondContact CG1-O 3.44Å; V12-F55 HydrophobicContact CG1-CD1 3.82Å; V12-F55 HydrophobicContact CG1-CE1 4.31Å; V12-F55 HydrophobicContact CG1-CG 4.38Å; V12-F55 HydrophobicContact CG2-CD1 4.44Å; V12-F55 HydrophobicContact CG2-CE1 4.12Å; V12-A58 HydrophobicContact CG1-CB 3.74Å
13K95.1Very high86.8Confident95 Ų9566.2 Ų66.241%0.41336%0.359SS..Hα-helixtrans-58.7-49174.7-76.1179.4172.7-166.20113K9 L15 A16 A17K9-K13 WeakPolarHBondContact O-CG 3.05Å; K9-K13 PolarHBondContact O-N 3Å; K13-L15 PolarHBondContact O-N 3.5Å; K13-A16 PolarHBondContact O-N 2.76Å; K13-A17 WeakPolarHBondContact O-CB 3.42Å; K13-A17 PolarHBondContact O-N 3.39Å
14A95.7Very high88Confident62 Ų6267.2 Ų67.251%0.51237%0.366SS..Hα-helixtrans-60.6-34179.500000112N10 W18N10-A14 WeakPolarHBondContact O-CB 3.35Å; N10-A14 PolarHBondContact O-N 2.93Å; A14-W18 VanDerWaalsContact O-CB 3.25Å; A14-W18 WeakPolarHBondContact O-CB 3.17Å; A14-W18 PolarHBondContact O-N 2.8Å; A14-W18 VanDerWaalsContact O-N 3.09Å
15L95.8Very high89Confident25 Ų2569.8 Ų69.813%0.13139%0.386CS..Hα-helixtrans-73.5-43176-175.460000112.4S11 V12 K13 W18 W19 F55 L143 V144S11-L15 VanDerWaalsContact O-CB 3.26Å; S11-L15 WeakPolarHBondContact O-CB 3.45Å; S11-L15 PolarHBondContact O-N 2.81Å; V12-L15 PolarHBondContact O-N 3.46Å; K13-L15 PolarHBondContact O-N 3.5Å; L15-W18 HydrophobicContact CD1-CE3 4.22Å; L15-W18 PolarHBondContact O-N 2.76Å; L15-W19 HydrophobicContact CD1-CD2 4.4Å; L15-W19 HydrophobicContact CD1-CZ2 3.77Å; L15-W19 HydrophobicContact CD2-CH2 3.62Å; L15-W19 HydrophobicContact CD2-CZ2 3.48Å; L15-W19 VanDerWaalsContact CD2-CZ2 3.48Å; L15-W19 HydrophobicContact CD2-CZ3 4.45Å; L15-W19 HydrophobicContact CG-CD2 4.13Å; L15-W19 HydrophobicContact CG-CE3 4.37Å; L15-W19 HydrophobicContact CG-CH2 3.69Å; L15-W19 HydrophobicContact CG-CZ2 3.4Å; L15-W19 VanDerWaalsContact CG-CZ2 3.4Å; L15-W19 HydrophobicContact CG-CZ3 4.17Å; L15-W19 PolarHBondContact O-N 3Å; L15-F55 HydrophobicContact CD2-CD1 4.32Å; L15-F55 HydrophobicContact CD2-CE1 4.03Å; L15-L143 HydrophobicContact CD2-CB 4.22Å; L15-L143 HydrophobicContact CD2-CD2 4.1Å; L15-V144 HydrophobicContact CD2-CG2 4.41Å
16A95.6Very high90Very high0 Ų067.2 Ų67.20%037%0.373CS..Hα-helixtrans-63-48.9176.200000112.1V12 K13 W18 W19 L20 A58 I59V12-A16 WeakPolarHBondContact O-CB 3.12Å; V12-A16 PolarHBondContact O-N 3.46Å; K13-A16 PolarHBondContact O-N 2.76Å; A16-W18 VanDerWaalsContact C-N 3.27Å; A16-W18 PolarHBondContact O-N 3.04Å; A16-W19 PolarHBondContact O-N 3.33Å; A16-L20 WeakPolarHBondContact O-CG 3.42Å; A16-L20 PolarHBondContact O-N 3.3Å; A16-A58 HydrophobicContact CB-CB 3.78Å; A16-I59 HydrophobicContact CB-CG1 3.95Å
17A94.1Very high90Very high40 Ų4065.6 Ų65.633%0.33136%0.361SS..Hα-helixtrans-61.6-35.6174.700000111.9K13 S21K13-A17 WeakPolarHBondContact O-CB 3.42Å; K13-A17 PolarHBondContact O-N 3.39Å; A17-S21 WeakPolarHBondContact O-CB 3.41Å; A17-S21 PolarHBondContact O-N 2.93Å; A17-S21 VanDerWaalsContact O-N 3.07Å; A17-S21 PolarHBondContact O-OG 3Å; A17-S21 VanDerWaalsContact O-OG 3.11Å
18W94.7Very high89.6Confident127 Ų12772.5 Ų72.548%0.48139%0.387SS..Hα-helixtrans-64.7-48.1173.1-177.873.2000111.9A14 L15 A16 S21 N22A14-W18 VanDerWaalsContact O-CB 3.25Å; A14-W18 WeakPolarHBondContact O-CB 3.17Å; A14-W18 PolarHBondContact O-N 2.8Å; A14-W18 VanDerWaalsContact O-N 3.09Å; L15-W18 HydrophobicContact CD1-CE3 4.22Å; L15-W18 PolarHBondContact O-N 2.76Å; A16-W18 VanDerWaalsContact C-N 3.27Å; A16-W18 PolarHBondContact O-N 3.04Å; W18-S21 PolarHBondContact O-N 3.29Å; W18-S21 PolarHBondContact O-OG 3.11Å; W18-N22 PolarHBondContact NE1-ND2 2.63Å; W18-N22 PolarHBondContact O-N 3.46Å; W18-N22 PolarHBondContact O-ND2 3.07Å
19W94.9Very high88.8Confident20 Ų2069.9 Ų69.98%0.07637%0.374CS..Hα-helixtrans-59.1-49.5175.4-63.9-37.1000112.5L15 A16 S21 N22 E23 F55 I59 L100 V104 G140 F141 V144L15-W19 HydrophobicContact CD1-CD2 4.4Å; L15-W19 HydrophobicContact CD1-CZ2 3.77Å; L15-W19 HydrophobicContact CD2-CH2 3.62Å; L15-W19 HydrophobicContact CD2-CZ2 3.48Å; L15-W19 VanDerWaalsContact CD2-CZ2 3.48Å; L15-W19 HydrophobicContact CD2-CZ3 4.45Å; L15-W19 HydrophobicContact CG-CD2 4.13Å; L15-W19 HydrophobicContact CG-CE3 4.37Å; L15-W19 HydrophobicContact CG-CH2 3.69Å; L15-W19 HydrophobicContact CG-CZ2 3.4Å; L15-W19 VanDerWaalsContact CG-CZ2 3.4Å; L15-W19 HydrophobicContact CG-CZ3 4.17Å; L15-W19 PolarHBondContact O-N 3Å; A16-W19 PolarHBondContact O-N 3.33Å; W19-S21 VanDerWaalsContact C-N 3.25Å; W19-S21 PolarHBondContact O-N 2.98Å; W19-N22 CarbonylContact O-C 3.59Å; W19-N22 WeakPolarHBondContact O-CA 3.23Å; W19-N22 PolarHBondContact O-N 3.38Å; W19-E23 PolarHBondContact O-N 3.38Å; W19-F55 HydrophobicContact CH2-CB 4.45Å; W19-F55 AromaticContact CH2-CD1 3.92Å; W19-F55 HydrophobicContact CH2-CD1 3.92Å; W19-F55 HydrophobicContact CH2-CG 4.42Å; W19-F55 HydrophobicContact CZ3-CB 4.21Å; W19-F55 HydrophobicContact CZ3-CD1 4.24Å; W19-I59 HydrophobicContact CE3-CD1 3.96Å; W19-I59 HydrophobicContact CE3-CG1 4.21Å; W19-I59 HydrophobicContact CZ3-CD1 4Å; W19-I59 HydrophobicContact CZ3-CG1 4.49Å; W19-L100 HydrophobicContact CB-CD1 3.84Å; W19-L100 HydrophobicContact CB-CD2 3.71Å; W19-L100 HydrophobicContact CB-CG 4.43Å; W19-L100 HydrophobicContact CD2-CD1 4.24Å; W19-L100 HydrophobicContact CE3-CD1 4.25Å; W19-L100 HydrophobicContact CG-CD1 4.11Å; W19-V104 HydrophobicContact CE3-CG2 4.29Å; W19-V104 HydrophobicContact CH2-CG2 4.09Å; W19-V104 HydrophobicContact CZ3-CG2 3.85Å; W19-G140 PolarHBondContact NE1-O 3.28Å; W19-F141 AromaticContact CZ2-CD2 3.8Å; W19-F141 HydrophobicContact CZ2-CD2 3.8Å; W19-F141 HydrophobicContact CZ2-CE2 4.22Å; W19-V144 HydrophobicContact CH2-CG2 3.56Å; W19-V144 HydrophobicContact CZ2-CG2 3.84Å
20L92.2Very high88Confident17 Ų1765 Ų659%0.08936%0.364CS..Hα-helixtrans-56.9-37.6178.9-73.8164.3000112.4A16 N22 I59 E62 F96 L100A16-L20 WeakPolarHBondContact O-CG 3.42Å; A16-L20 PolarHBondContact O-N 3.3Å; L20-N22 PolarHBondContact O-N 2.89Å; L20-I59 HydrophobicContact CD2-CG2 4.22Å; L20-E62 HydrophobicContact CD1-CB 3.77Å; L20-E62 HydrophobicContact CD1-CG 4.49Å; L20-F96 HydrophobicContact CD2-CD1 4.12Å; L20-F96 HydrophobicContact CD2-CE1 3.76Å; L20-L100 HydrophobicContact CD2-CD2 4.05Å; L20-L100 HydrophobicContact CG-CD2 4.13Å
21S90.7Very high87.3Confident80 Ų8066 Ų6656%0.55937%0.369SS*.Hα-helixtrans-73.2-5.5174.666.80000115.5A17 W18 W19A17-S21 WeakPolarHBondContact O-CB 3.41Å; A17-S21 PolarHBondContact O-N 2.93Å; A17-S21 VanDerWaalsContact O-N 3.07Å; A17-S21 PolarHBondContact O-OG 3Å; A17-S21 VanDerWaalsContact O-OG 3.11Å; W18-S21 PolarHBondContact O-N 3.29Å; W18-S21 PolarHBondContact O-OG 3.11Å; W19-S21 VanDerWaalsContact C-N 3.25Å; W19-S21 PolarHBondContact O-N 2.98Å
22N89.7Confident86.2Confident103 Ų10368.8 Ų68.855%0.55139%0.385SS*.Hα-helixtrans-113.3-14176.8-74.6-94.3000113.7W18 W19 L20W18-N22 PolarHBondContact NE1-ND2 2.63Å; W18-N22 PolarHBondContact O-N 3.46Å; W18-N22 PolarHBondContact O-ND2 3.07Å; W19-N22 CarbonylContact O-C 3.59Å; W19-N22 WeakPolarHBondContact O-CA 3.23Å; W19-N22 PolarHBondContact O-N 3.38Å; L20-N22 PolarHBondContact O-N 2.89Å
23E85.5Confident84.3Confident88 Ų8874.8 Ų74.841%0.41142%0.424SS..Hα-helixtrans-60.9-53.4174.6-74.9-61.2144.800111.3W19 L100W19-E23 PolarHBondContact O-N 3.38Å; E23-L100 HydrophobicContact CG-CB 4.39Å; E23-L100 HydrophobicContact CG-CD2 4.22Å
24S76.9Confident82.7Confident49 Ų4977.6 Ų77.634%0.34344%0.436SS..  trans-157.5153.2167.761.20000112.4L26 F96S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact OG-O 3.25Å; S24-F96 WeakPolarHBondContact OG-CE2 3.29Å
25S76.6Confident81.3Confident122 Ų12278.3 Ų78.385%0.85344%0.437SS*.SBendtrans-82.5-12.4172.453.70000113.6
26L79.8Confident80.6Confident100 Ų10078.3 Ų78.352%0.52444%0.444SS..SBendtrans-143115179.1-68175.3000108.4S24 Y28S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact OG-O 3.25Å; L26-Y28 HydrophobicContact CB-CE2 4.07Å; L26-Y28 WeakPolarHBondContact O-CD2 3.44Å; L26-Y28 PolarHBondContact O-N 2.86Å
27N78.5Confident80.2Confident59 Ų5988.4 Ų88.432%0.31648%0.482SS..  trans-76.491.4174.2-175.46.4000110.4V29 G30 F96N27-V29 PolarHBondContact O-N 3.2Å; N27-V29 WeakPolarHBondContact OD1-CB 3.46Å; N27-V29 WeakPolarHBondContact OD1-CG2 3.5Å; N27-V29 PolarHBondContact OD1-N 3.35Å; N27-G30 PolarHBondContact O-N 2.97Å; N27-F96 HydrophobicContact CB-CD2 3.83Å; N27-F96 HydrophobicContact CB-CE2 3.82Å; N27-F96 WeakPolarHBondContact ND2-CD2 3.39Å; N27-F96 WeakPolarHBondContact OD1-CD2 3.48Å
28Y79.4Confident79.9Confident163 Ų16387 Ų8764%0.63947%0.472SS*.G310 helixtrans-65.5-14.7176.6-66.7-74.8000113.8L26 G30 L31L26-Y28 HydrophobicContact CB-CE2 4.07Å; L26-Y28 WeakPolarHBondContact O-CD2 3.44Å; L26-Y28 PolarHBondContact O-N 2.86Å; Y28-G30 VanDerWaalsContact C-N 3.28Å; Y28-G30 PolarHBondContact O-N 3.4Å; Y28-L31 HydrophobicContact CD1-CD1 4.05Å; Y28-L31 VanDerWaalsContact O-CB 3.32Å; Y28-L31 WeakPolarHBondContact O-CB 3.47Å; Y28-L31 WeakPolarHBondContact O-CG 3.29Å; Y28-L31 PolarHBondContact O-N 3.17Å; Y28-L31 VanDerWaalsContact O-N 3.15Å
29V75.2Confident79.9Confident32 Ų3286.2 Ų86.219%0.19447%0.471CS..G310 helixtrans-65.3-34.3178-1700000110.8N27 L31 T32 E92 F95N27-V29 PolarHBondContact O-N 3.2Å; N27-V29 WeakPolarHBondContact OD1-CB 3.46Å; N27-V29 WeakPolarHBondContact OD1-CG2 3.5Å; N27-V29 PolarHBondContact OD1-N 3.35Å; V29-L31 PolarHBondContact O-N 3.46Å; V29-T32 WeakPolarHBondContact O-CB 3.49Å; V29-T32 PolarHBondContact O-N 2.97Å; V29-T32 PolarHBondContact O-OG1 3.25Å; V29-E92 HydrophobicContact CG1-CB 4.26Å; V29-F95 HydrophobicContact CB-CD1 4.23Å; V29-F95 HydrophobicContact CG1-CB 4.08Å; V29-F95 HydrophobicContact CG1-CD1 3.68Å; V29-F95 HydrophobicContact CG1-CE1 4.37Å; V29-F95 HydrophobicContact CG1-CG 4.04Å; V29-F95 HydrophobicContact CG2-CD1 3.44Å; V29-F95 VanDerWaalsContact CG2-CD1 3.44Å; V29-F95 HydrophobicContact CG2-CE1 3.76Å
30G74.3Confident79.9Confident40 Ų4085.2 Ų85.241%0.41247%0.468SS..G310 helixtrans-67.54.617400000115.1N27 Y28 T32N27-G30 PolarHBondContact O-N 2.97Å; Y28-G30 VanDerWaalsContact C-N 3.28Å; Y28-G30 PolarHBondContact O-N 3.4Å; G30-T32 VanDerWaalsContact C-N 3.3Å
31L77.6Confident80.2Confident135 Ų13587.9 Ų87.971%0.70748%0.477SS*.G310 helixtrans-82.9-7.1163.6-59.1178.8000112.6Y28 V29 P33Y28-L31 HydrophobicContact CD1-CD1 4.05Å; Y28-L31 VanDerWaalsContact O-CB 3.32Å; Y28-L31 WeakPolarHBondContact O-CB 3.47Å; Y28-L31 WeakPolarHBondContact O-CG 3.29Å; Y28-L31 PolarHBondContact O-N 3.17Å; Y28-L31 VanDerWaalsContact O-N 3.15Å; V29-L31 PolarHBondContact O-N 3.46Å; L31-P33 WeakPolarHBondContact O-CD 3.34Å
32T71.1Confident80.5Confident82 Ų8284.1 Ų84.150%0.50345%0.451SS..SBendtrans-69.6119.6179.9-560000109.9V29 G30 K34V29-T32 WeakPolarHBondContact O-CB 3.49Å; V29-T32 PolarHBondContact O-N 2.97Å; V29-T32 PolarHBondContact O-OG1 3.25Å; G30-T32 VanDerWaalsContact C-N 3.3Å; T32-K34 PolarHBondContact O-N 2.95Å
33P56.6Low80.9Confident132 Ų13280.1 Ų80.186%0.85743%0.429SS*.SBendtrans-67.89.2-169.6-24.735.6000117.3L31L31-P33 WeakPolarHBondContact O-CD 3.34Å
34K62.1Low81.5Confident153 Ų15376 Ų7667%0.66541%0.41SS*.  trans-143.985.8-175.1-66-178.8-177.1172.10109.8T32 G36T32-K34 PolarHBondContact O-N 2.95Å; K34-G36 PolarHBondContact O-N 3.02Å
35S65.1Low82.5Confident77 Ų7776.6 Ų76.654%0.53841%0.407SS..  trans-70.894.1164.5-177.50000108.9E92S35-E92 WeakPolarHBondContact CB-OE1 3.34Å; S35-E92 PolarHBondContact OG-OE1 3Å
36G81.1Confident83.4Confident26 Ų2672.7 Ų72.727%0.26838%0.38SS..  trans-86.8166.5169.800000111.2K34 A90 D91K34-G36 PolarHBondContact O-N 3.02Å; G36-A90 WeakPolarHBondContact O-CA 3.35Å; G36-D91 WeakPolarHBondContact CA-OD2 3.37Å; G36-D91 PolarHBondContact N-OD2 3.41Å; G36-D91 PolarHBondContact O-N 2.78Å
37R87.5Confident84.2Confident211 Ų21171.9 Ų71.980%0.79638%0.381SS*.  trans-110.185.4163.2-84.8-169.1154.8-176.6-8.7109.5G89R37-G89 VanDerWaalsContact CA-O 3.22Å; R37-G89 WeakPolarHBondContact CA-O 3.22Å; R37-G89 WeakPolarHBondContact CG-O 3.45Å
38G89Confident85.1Confident12 Ų1269.4 Ų69.412%0.12437%0.369CS..  trans-86.4-173.3177.600000114.1D91G38-D91 WeakPolarHBondContact CA-OD1 3.36Å; G38-D91 PolarHBondContact N-OD1 3.42Å
39K94.3Very high85.9Confident109 Ų10962.4 Ų62.447%0.47434%0.343SS..EExtended strand (participates in β ladder)trans-125144.2166.8-65.5-166.5172.1-168.40109.1T86 I87 S88 V276K39-T86 HydrophobicContact CB-CG2 4.35Å; K39-T86 HydrophobicContact CD-CG2 4.22Å; K39-I87 WeakPolarHBondContact CA-O 3.35Å; K39-S88 WeakPolarHBondContact CE-OG 2.96Å; K39-V276 HydrophobicContact CB-CB 4.26Å; K39-V276 HydrophobicContact CB-CG2 4.05Å; K39-V276 WeakPolarHBondContact O-CB 3.45Å; K39-V276 WeakPolarHBondContact O-CG2 3.22Å; K39-V276 PolarHBondContact O-N 3.38Å
40V95.7Very high87Confident0 Ų060.9 Ų60.90%033%0.333CS..EExtended strand (participates in β ladder)trans-129.4127.7177.9-1750000108.6I87 I94 M273 A274 Y275V40-I87 HydrophobicContact CB-CB 4.48Å; V40-I87 PolarHBondContact N-O 3.29Å; V40-I87 PolarHBondContact O-N 2.93Å; V40-I94 HydrophobicContact CB-CG2 4.05Å; V40-I94 HydrophobicContact CG2-CB 4.46Å; V40-I94 HydrophobicContact CG2-CD1 3.96Å; V40-I94 HydrophobicContact CG2-CG2 3.68Å; V40-M273 HydrophobicContact CG1-CB 3.81Å; V40-M273 HydrophobicContact CG1-CE 3.8Å; V40-M273 HydrophobicContact CG1-CG 4.14Å; V40-A274 WeakPolarHBondContact CA-O 3.35Å; V40-Y275 HydrophobicContact CG1-CD2 4.33Å; V40-Y275 HydrophobicContact CG1-CE2 4.32Å; V40-Y275 HydrophobicContact CG1-CG 4.49Å; V40-Y275 HydrophobicContact CG2-CD1 3.37Å; V40-Y275 HydrophobicContact CG2-CD2 4.36Å; V40-Y275 HydrophobicContact CG2-CE1 3.45Å; V40-Y275 VanDerWaalsContact CG2-CE1 3.45Å; V40-Y275 HydrophobicContact CG2-CE2 4.41Å; V40-Y275 HydrophobicContact CG2-CG 3.84Å
41Y97.4Very high88Confident73 Ų7359 Ų5929%0.28631%0.314SS..EExtended strand (participates in β ladder)trans-87140.2173.6-61.2-53000110.4A85 T86 M273 A274 V276Y41-A85 WeakPolarHBondContact CA-O 3.4Å; Y41-T86 HydrophobicContact CD1-CG2 3.99Å; Y41-T86 HydrophobicContact CE1-CG2 3.88Å; Y41-M273 CarbonylContact O-C 3.56Å; Y41-M273 VanDerWaalsContact O-CA 3.31Å; Y41-M273 WeakPolarHBondContact O-CA 3.39Å; Y41-A274 PolarHBondContact N-O 3.08Å; Y41-A274 PolarHBondContact O-N 2.84Å; Y41-V276 HydrophobicContact CD2-CG2 3.64Å; Y41-V276 HydrophobicContact CE1-CG2 4.37Å; Y41-V276 HydrophobicContact CE2-CG2 3.25Å; Y41-V276 HydrophobicContact CG-CG2 4.37Å
42I97.9Very high88.9Confident0 Ų052.6 Ų52.60%028%0.28CS..EExtended strand (participates in β ladder)trans-98.7118.1162.8-46179.9000107.2I67 V84 A85 I87 V101 L105 F271 M273I42-I67 HydrophobicContact CD1-CD1 4.14Å; I42-V84 HydrophobicContact CB-CG2 3.88Å; I42-V84 HydrophobicContact CG2-CG2 3.7Å; I42-V84 VanDerWaalsContact O-CG2 3.31Å; I42-V84 WeakPolarHBondContact O-CG2 3.46Å; I42-V84 PolarHBondContact O-N 2.77Å; I42-A85 HydrophobicContact CB-CB 4.12Å; I42-A85 HydrophobicContact CD1-CB 3.84Å; I42-A85 HydrophobicContact CG1-CB 4Å; I42-A85 PolarHBondContact N-O 2.88Å; I42-A85 PolarHBondContact O-N 2.85Å; I42-I87 HydrophobicContact CD1-CD1 3.98Å; I42-I87 HydrophobicContact CD1-CG1 4.26Å; I42-I87 HydrophobicContact CG1-CD1 4.06Å; I42-I87 HydrophobicContact CG1-CG1 4.28Å; I42-V101 HydrophobicContact CD1-CG1 3.94Å; I42-L105 HydrophobicContact CD1-CD1 4.08Å; I42-L105 HydrophobicContact CG2-CD1 4.27Å; I42-F271 HydrophobicContact CG2-CD1 4.06Å; I42-M273 HydrophobicContact CG1-CG 4.09Å
43D97.9Very high90.1Very high20 Ų2049.5 Ų49.511%0.10726%0.26CS..EExtended strand (participates in β ladder)trans-112.6132.4176.5-66.4-29.6000109.8H45 V82 R83 F271 Q272D43-H45 PolarHBondContact O-CD2 2.89Å; D43-V82 CarbonylContact C-O 3.49Å; D43-V82 WeakPolarHBondContact CA-O 3.39Å; D43-R83 WeakPolarHBondContact OD1-CA 3.4Å; D43-R83 WeakPolarHBondContact OD1-CB 3.24Å; D43-R83 WeakPolarHBondContact OD1-CG 3.42Å; D43-R83 IonicContact OD1-CZ 2.66Å; D43-R83 IonicContact OD1-NE 2.85Å; D43-R83 PolarHBondContact OD1-NE 3.01Å; D43-R83 IonicContact OD1-NH2 3.85Å; D43-R83 PolarHBondContact OD1-NH2 2.73Å; D43-R83 IonicContact OD2-CZ 3.41Å; D43-R83 IonicContact OD2-NE 3.47Å; D43-R83 IonicContact OD2-NH2 3.54Å; D43-R83 PolarHBondContact OD2-NH2 2.83Å; D43-F271 WeakPolarHBondContact O-CA 3.48Å; D43-Q272 PolarHBondContact N-O 3.43Å; D43-Q272 PolarHBondContact O-N 3.41Å
44M97.9Very high92Very high0 Ų044.2 Ų44.20%023%0.226CC..EExtended strand (participates in β ladder)trans-96.4116.1-179.2179.8172.9163.200110.1S46 I50 V77 C80 P81 V82 V84 V269 F271M44-S46 WeakPolarHBondContact CE-O 3.3Å; M44-I50 HydrophobicContact SD-CB 4.36Å; M44-V77 HydrophobicContact CE-CB 3.63Å; M44-V77 HydrophobicContact CE-CG1 3.92Å; M44-V77 HydrophobicContact CE-CG2 4.17Å; M44-V77 HydrophobicContact SD-CB 3.93Å; M44-V77 HydrophobicContact SD-CG1 4.07Å; M44-V77 HydrophobicContact SD-CG2 3.86Å; M44-C80 PolarHBondContact O-SG 2.83Å; M44-P81 WeakPolarHBondContact O-CA 3.23Å; M44-V82 HydrophobicContact CB-CG1 4.11Å; M44-V82 PolarHBondContact N-O 3.41Å; M44-V82 PolarHBondContact O-N 2.78Å; M44-V82 VanDerWaalsContact O-N 3.08Å; M44-V84 HydrophobicContact CB-CG1 3.63Å; M44-V84 HydrophobicContact CB-CG2 4.5Å; M44-V84 HydrophobicContact SD-CG1 4.27Å; M44-V269 HydrophobicContact CE-CG1 3.72Å; M44-V269 HydrophobicContact CG-CG1 3.99Å; M44-V269 HydrophobicContact SD-CG1 4.28Å; M44-F271 HydrophobicContact CB-CD1 3.82Å; M44-F271 HydrophobicContact CB-CE1 3.64Å; M44-F271 HydrophobicContact CG-CD1 4.12Å; M44-F271 HydrophobicContact CG-CE1 3.65Å; M44-F271 HydrophobicContact CG-CZ 4.07Å; M44-F271 HydrophobicContact SD-CE1 3.84Å; M44-F271 HydrophobicContact SD-CZ 3.94Å
45H97.1Very high93.7Very high63 Ų6337 Ų3729%0.29219%0.194SC..  trans-101.5-20.3-167.8-80.5-141.7000113.8D43 C80 D270 Q272D43-H45 PolarHBondContact O-CD2 2.89Å; H45-C80 VanDerWaalsContact O-CB 3.22Å; H45-C80 WeakPolarHBondContact O-CB 3.38Å; H45-D270 HydrophobicContact CB-CB 3.98Å; H45-D270 VanDerWaalsContact CB-OD2 3.31Å; H45-D270 WeakPolarHBondContact CB-OD2 3.25Å; H45-D270 PolarHBondContact N-O 3.37Å; H45-Q272 PolarHBondContact CE1-OE1 3.35Å
46S95.8Very high95.2Very high40 Ų4033.3 Ų33.328%0.2817%0.169SC..SBendtrans-107.2141.1170.7-67.90000112M44 C80 D270M44-S46 WeakPolarHBondContact CE-O 3.3Å; S46-C80 PolarHBondContact O-SG 2.94Å; S46-D270 PolarHBondContact N-O 3.29Å; S46-D270 VanDerWaalsContact OG-CB 3.26Å; S46-D270 WeakPolarHBondContact OG-CB 3.39Å; S46-D270 PolarHBondContact OG-N 3.14Å
47P96.8Very high95.9Very high83 Ų8335.1 Ų35.154%0.53917%0.172SC..  trans-67.8149.5174.130.2-35.4000111.2V77P47-V77 WeakPolarHBondContact CA-O 3.38Å
48G96.9Very high96.4Very high7 Ų725.6 Ų25.67%0.07214%0.139CC..EExtended strand (participates in β ladder)trans167.4-154-175.800000112.9T76 V77 T113G48-T76 CarbonylContact O-C 3.46Å; G48-T76 WeakPolarHBondContact O-CA 3.49Å; G48-V77 PolarHBondContact N-O 2.82Å; G48-V77 PolarHBondContact O-N 3.31Å; G48-T113 VanDerWaalsContact CA-OG1 3.27Å; G48-T113 WeakPolarHBondContact CA-OG1 3.43Å
49I97Very high96.7Very high16 Ų1625 Ų258%0.08213%0.133CC..EExtended strand (participates in β ladder)trans-118.7122.2172.9-58.3-177.5000107.9V51 G74 Q75 T76 S109 A112 T113 S116I49-V51 HydrophobicContact CG2-CG2 4.15Å; I49-V51 PolarHBondContact O-N 3.32Å; I49-G74 WeakPolarHBondContact CG2-O 3.3Å; I49-Q75 WeakPolarHBondContact CA-O 3.46Å; I49-T76 HydrophobicContact CG1-CG2 4.26Å; I49-S109 VanDerWaalsContact O-CA 3.26Å; I49-S109 WeakPolarHBondContact O-CA 3.41Å; I49-S109 WeakPolarHBondContact O-CB 3.41Å; I49-A112 HydrophobicContact CB-CB 4.33Å; I49-A112 HydrophobicContact CG2-CB 4.47Å; I49-T113 PolarHBondContact N-OG1 2.87Å; I49-S116 WeakPolarHBondContact CD1-OG 3.45Å
50I97.1Very high96.9Very high0 Ų019.9 Ų19.90%011%0.111CC..  trans-72.4126.8176.5-169.2172.8000110.4M44 W69 V71 C72 G74 Q75 V84 F271M44-I50 HydrophobicContact SD-CB 4.36Å; I50-W69 HydrophobicContact CD1-CE3 4.44Å; I50-W69 HydrophobicContact CD1-CZ3 3.96Å; I50-V71 HydrophobicContact CD1-CG2 3.64Å; I50-V71 HydrophobicContact CG2-CB 4.4Å; I50-V71 HydrophobicContact CG2-CG2 3.87Å; I50-C72 WeakPolarHBondContact CG2-O 3.46Å; I50-G74 WeakPolarHBondContact O-CA 3.21Å; I50-G74 PolarHBondContact O-N 3.47Å; I50-Q75 HydrophobicContact CG2-CB 4.15Å; I50-Q75 PolarHBondContact N-O 2.93Å; I50-V84 HydrophobicContact CD1-CB 3.74Å; I50-V84 HydrophobicContact CD1-CG1 3.97Å; I50-V84 HydrophobicContact CD1-CG2 4.02Å; I50-F271 HydrophobicContact CD1-CE1 4.32Å; I50-F271 HydrophobicContact CG1-CE1 4.5Å; I50-F271 HydrophobicContact CG1-CZ 4.28Å
51V96.5Very high96.8Very high0 Ų026.7 Ų26.70%014%0.14CC..  trans-143.3145.4177.1168.40000109.9I49 E73 A108 S109 A112 Y147 A148 I151I49-V51 HydrophobicContact CG2-CG2 4.15Å; I49-V51 PolarHBondContact O-N 3.32Å; V51-E73 WeakPolarHBondContact CA-OE1 3.29Å; V51-E73 WeakPolarHBondContact CG1-OE1 3.27Å; V51-A108 HydrophobicContact CB-CB 4.39Å; V51-A108 HydrophobicContact CG1-CB 3.96Å; V51-A108 WeakPolarHBondContact O-CB 3.1Å; V51-S109 PolarHBondContact N-OG 2.94Å; V51-S109 PolarHBondContact O-OG 2.77Å; V51-A112 HydrophobicContact CB-CB 4.04Å; V51-A112 HydrophobicContact CG2-CB 3.42Å; V51-A112 VanDerWaalsContact CG2-CB 3.42Å; V51-Y147 HydrophobicContact CG1-CD1 4.3Å; V51-A148 HydrophobicContact CG1-CB 3.74Å; V51-I151 HydrophobicContact CG1-CD1 3.85Å; V51-I151 HydrophobicContact CG2-CB 4.41Å; V51-I151 HydrophobicContact CG2-CD1 4.1Å; V51-I151 HydrophobicContact CG2-CG2 3.88Å
52G96.4Very high96.6Very high0 Ų027.7 Ų27.70%015%0.148CC..  trans119.46.2169.200000115F55 V56 E73G52-F55 WeakPolarHBondContact O-CB 3.33Å; G52-F55 PolarHBondContact O-N 3.18Å; G52-V56 PolarHBondContact O-N 2.99Å; G52-E73 PolarHBondContact N-OE1 3.24Å; G52-E73 PolarHBondContact N-OE2 3.03Å
53M96.7Very high96.3Very high18 Ų1828.4 Ų28.49%0.08915%0.152CC..Hα-helixtrans-54.1-44.2-175.4-56.2155.468.300112.4F55 V56 D57 W69 V71 E73M53-F55 PolarHBondContact O-N 2.75Å; M53-F55 VanDerWaalsContact O-N 3.1Å; M53-V56 PolarHBondContact O-N 3.2Å; M53-V56 VanDerWaalsContact O-N 3.09Å; M53-D57 WeakPolarHBondContact O-CB 3.11Å; M53-D57 PolarHBondContact O-N 3.41Å; M53-W69 HydrophobicContact CB-CD2 4.27Å; M53-W69 HydrophobicContact CB-CH2 4.16Å; M53-W69 HydrophobicContact CB-CZ2 3.62Å; M53-W69 HydrophobicContact CE-CB 3.58Å; M53-W69 HydrophobicContact CE-CD2 3.45Å; M53-W69 VanDerWaalsContact CE-CD2 3.45Å; M53-W69 HydrophobicContact CE-CE3 3.89Å; M53-W69 HydrophobicContact CE-CG 3.31Å; M53-W69 HydrophobicContact CG-CD2 3.83Å; M53-W69 HydrophobicContact CG-CE3 3.83Å; M53-W69 HydrophobicContact CG-CH2 3.71Å; M53-W69 HydrophobicContact CG-CZ2 3.65Å; M53-W69 HydrophobicContact CG-CZ3 3.79Å; M53-W69 HydrophobicContact SD-CD2 4.34Å; M53-W69 HydrophobicContact SD-CE3 4.34Å; M53-V71 VanDerWaalsContact CE-O 3.28Å; M53-V71 WeakPolarHBondContact CE-O 3.3Å; M53-E73 WeakPolarHBondContact CB-OE2 3.4Å; M53-E73 WeakPolarHBondContact CG-OE2 3.48Å; M53-E73 PolarHBondContact N-OE2 3.1Å; M53-E73 WeakPolarHBondContact SD-CA 3.41Å; M53-E73 HydrophobicContact SD-CB 3.65Å; M53-E73 PolarHBondContact SD-N 3.48Å; M53-E73 VanDerWaalsContact SD-OE2 3.37Å
54P95.9Very high96Very high21 Ų2131.9 Ų31.914%0.13618%0.179CC..Hα-helixtrans-61.3-25179.1-24.735.2000115P4 I7 V12 A58 E73 Y147P4-P54 HydrophobicContact CB-CG 4.46Å; I7-P54 HydrophobicContact CG2-CB 4.45Å; V12-P54 VanDerWaalsContact CG1-O 3.3Å; V12-P54 WeakPolarHBondContact CG1-O 3.44Å; P54-A58 PolarHBondContact O-N 3.21Å; P54-E73 WeakPolarHBondContact CD-OE2 3.36Å; P54-Y147 HydrophobicContact CG-CE1 4.15Å
55F97.1Very high95.8Very high0 Ų032.3 Ų32.30%018%0.181CC..Hα-helixtrans-79.9-41.6176.2-61.1-82.2000110.9I7 V12 L15 W19 G52 M53 A58 I59 V104 L143 V144 Y147I7-F55 HydrophobicContact CD1-CE1 3.87Å; I7-F55 HydrophobicContact CD1-CE2 3.96Å; I7-F55 HydrophobicContact CD1-CZ 3.32Å; V12-F55 HydrophobicContact CG1-CD1 3.82Å; V12-F55 HydrophobicContact CG1-CE1 4.31Å; V12-F55 HydrophobicContact CG1-CG 4.38Å; V12-F55 HydrophobicContact CG2-CD1 4.44Å; V12-F55 HydrophobicContact CG2-CE1 4.12Å; L15-F55 HydrophobicContact CD2-CD1 4.32Å; L15-F55 HydrophobicContact CD2-CE1 4.03Å; W19-F55 HydrophobicContact CH2-CB 4.45Å; W19-F55 AromaticContact CH2-CD1 3.92Å; W19-F55 HydrophobicContact CH2-CD1 3.92Å; W19-F55 HydrophobicContact CH2-CG 4.42Å; W19-F55 HydrophobicContact CZ3-CB 4.21Å; W19-F55 HydrophobicContact CZ3-CD1 4.24Å; G52-F55 WeakPolarHBondContact O-CB 3.33Å; G52-F55 PolarHBondContact O-N 3.18Å; M53-F55 PolarHBondContact O-N 2.75Å; M53-F55 VanDerWaalsContact O-N 3.1Å; F55-A58 PolarHBondContact O-N 3.32Å; F55-I59 WeakPolarHBondContact O-CD1 3.3Å; F55-I59 VanDerWaalsContact O-CG1 3.3Å; F55-I59 WeakPolarHBondContact O-CG1 3.28Å; F55-I59 PolarHBondContact O-N 2.87Å; F55-V104 HydrophobicContact CB-CG1 3.78Å; F55-L143 HydrophobicContact CE1-CD2 4.18Å; F55-L143 HydrophobicContact CE1-CG 4.17Å; F55-L143 HydrophobicContact CZ-CG 4.17Å; F55-V144 HydrophobicContact CD1-CG2 3.96Å; F55-V144 HydrophobicContact CD2-CG1 4.13Å; F55-V144 HydrophobicContact CD2-CG2 4.28Å; F55-V144 HydrophobicContact CE1-CG2 3.74Å; F55-V144 HydrophobicContact CE2-CB 4.17Å; F55-V144 HydrophobicContact CE2-CG1 3.95Å; F55-V144 HydrophobicContact CE2-CG2 4.06Å; F55-V144 HydrophobicContact CG-CG2 4.23Å; F55-V144 HydrophobicContact CZ-CB 4.14Å; F55-V144 HydrophobicContact CZ-CG1 4.42Å; F55-V144 HydrophobicContact CZ-CG2 3.78Å; F55-Y147 AromaticContact CE2-CD1 3.69Å; F55-Y147 HydrophobicContact CE2-CD1 3.69Å; F55-Y147 HydrophobicContact CE2-CE1 4.37Å; F55-Y147 HydrophobicContact CE2-CG 4.05Å; F55-Y147 HydrophobicContact CZ-CG 4.49Å
56V97.4Very high95.8Very high0 Ų036.5 Ų36.50%020%0.201CC..Hα-helixtrans-64.4-44173.9172.90000111.3G52 M53 A58 I59 L60 I67 W69 V101 V104 L105G52-V56 PolarHBondContact O-N 2.99Å; M53-V56 PolarHBondContact O-N 3.2Å; M53-V56 VanDerWaalsContact O-N 3.09Å; V56-A58 PolarHBondContact O-N 3.05Å; V56-I59 PolarHBondContact O-N 3.16Å; V56-L60 HydrophobicContact CG1-CD1 3.7Å; V56-L60 HydrophobicContact CG1-CG 4.26Å; V56-L60 PolarHBondContact O-N 3.03Å; V56-I67 HydrophobicContact CG1-CD1 3.76Å; V56-W69 HydrophobicContact CB-CH2 4.27Å; V56-W69 HydrophobicContact CB-CZ2 3.94Å; V56-W69 HydrophobicContact CG1-CH2 4.07Å; V56-W69 HydrophobicContact CG1-CZ2 3.79Å; V56-V101 HydrophobicContact CG1-CG1 3.79Å; V56-V101 HydrophobicContact CG1-CG2 4.14Å; V56-V101 HydrophobicContact CG2-CG1 4.07Å; V56-V104 HydrophobicContact CG2-CG1 4.29Å; V56-L105 HydrophobicContact CG2-CD1 4.13Å; V56-L105 HydrophobicContact CG2-CD2 3.83Å; V56-L105 HydrophobicContact CG2-CG 3.68Å
57D96.8Very high95.9Very high64 Ų6436.5 Ų36.534%0.34220%0.198SC..Hα-helixtrans-53.5-38.3172.9-67.8-12.8000111.4M53 K61 I67 W69M53-D57 WeakPolarHBondContact O-CB 3.11Å; M53-D57 PolarHBondContact O-N 3.41Å; D57-K61 WeakPolarHBondContact O-CB 3.45Å; D57-K61 PolarHBondContact O-N 3.02Å; D57-I67 WeakPolarHBondContact OD1-CG2 3.44Å; D57-W69 PolarHBondContact OD1-NE1 2.89Å
58A96.3Very high95.9Very high11 Ų1137.9 Ų37.99%0.09120%0.197CC..Hα-helixtrans-75.6-45177.600000112.2V12 A16 P54 F55 V56 K61 E62V12-A58 HydrophobicContact CG1-CB 3.74Å; A16-A58 HydrophobicContact CB-CB 3.78Å; P54-A58 PolarHBondContact O-N 3.21Å; F55-A58 PolarHBondContact O-N 3.32Å; V56-A58 PolarHBondContact O-N 3.05Å; A58-K61 PolarHBondContact O-N 3.06Å; A58-E62 WeakPolarHBondContact O-CG 3.26Å; A58-E62 PolarHBondContact O-N 3.33Å; A58-E62 VanDerWaalsContact O-N 3.08Å
59I96.8Very high96Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-55.6-54.7176.8-70.4156.2000110.5A16 W19 L20 F55 V56 K61 E62 S63 C97 L100 V101 V104A16-I59 HydrophobicContact CB-CG1 3.95Å; W19-I59 HydrophobicContact CE3-CD1 3.96Å; W19-I59 HydrophobicContact CE3-CG1 4.21Å; W19-I59 HydrophobicContact CZ3-CD1 4Å; W19-I59 HydrophobicContact CZ3-CG1 4.49Å; L20-I59 HydrophobicContact CD2-CG2 4.22Å; F55-I59 WeakPolarHBondContact O-CD1 3.3Å; F55-I59 VanDerWaalsContact O-CG1 3.3Å; F55-I59 WeakPolarHBondContact O-CG1 3.28Å; F55-I59 PolarHBondContact O-N 2.87Å; V56-I59 PolarHBondContact O-N 3.16Å; I59-K61 VanDerWaalsContact C-N 3.31Å; I59-K61 PolarHBondContact O-N 3.3Å; I59-E62 PolarHBondContact O-N 2.92Å; I59-S63 PolarHBondContact O-N 3.36Å; I59-S63 PolarHBondContact O-OG 2.96Å; I59-C97 HydrophobicContact CG2-CB 4.1Å; I59-L100 HydrophobicContact CD1-CD2 4.06Å; I59-L100 HydrophobicContact CD1-CG 3.84Å; I59-L100 HydrophobicContact CG1-CD2 4.01Å; I59-L100 HydrophobicContact CG1-CG 4.35Å; I59-L100 HydrophobicContact CG2-CD2 3.98Å; I59-L100 HydrophobicContact CG2-CG 4.41Å; I59-V101 HydrophobicContact CG2-CG2 3.96Å; I59-V104 HydrophobicContact CD1-CG2 3.98Å
60L96.8Very high96Very high1 Ų143.3 Ų43.31%0.00522%0.217CC..Hα-helixtrans-65.9-35-177.3-67.6174.2000111.9V56 S63 S64 C65 I67 I87 C97 V101V56-L60 HydrophobicContact CG1-CD1 3.7Å; V56-L60 HydrophobicContact CG1-CG 4.26Å; V56-L60 PolarHBondContact O-N 3.03Å; L60-S63 CarbonylContact O-C 3.58Å; L60-S63 PolarHBondContact O-N 3.19Å; L60-S64 PolarHBondContact O-N 2.82Å; L60-C65 CarbonylContact C-O 3.57Å; L60-C65 HydrophobicContact CB-CB 3.98Å; L60-C65 HydrophobicContact CD2-CB 4.01Å; L60-C65 PolarHBondContact O-N 2.72Å; L60-I67 HydrophobicContact CD1-CB 3.81Å; L60-I67 HydrophobicContact CD1-CD1 3.67Å; L60-I67 HydrophobicContact CD1-CG1 4.27Å; L60-I67 HydrophobicContact CD1-CG2 4.18Å; L60-I87 HydrophobicContact CD1-CD1 3.83Å; L60-I87 HydrophobicContact CD1-CG1 3.86Å; L60-I87 HydrophobicContact CD1-CG2 4.22Å; L60-I87 HydrophobicContact CD2-CD1 4.16Å; L60-I87 HydrophobicContact CD2-CG2 4.19Å; L60-C97 HydrophobicContact CD2-CB 3.89Å; L60-V101 HydrophobicContact CD2-CG2 4.1Å; L60-V101 HydrophobicContact CG-CG2 4.21Å
61K95.3Very high96Very high143 Ų14343.9 Ų43.962%0.62222%0.221SC*.Hα-helixtrans-67.9-37.5178.2-177.1177-168.473.10114D57 A58 I59 S63 S64D57-K61 WeakPolarHBondContact O-CB 3.45Å; D57-K61 PolarHBondContact O-N 3.02Å; A58-K61 PolarHBondContact O-N 3.06Å; I59-K61 VanDerWaalsContact C-N 3.31Å; I59-K61 PolarHBondContact O-N 3.3Å; K61-S63 VanDerWaalsContact C-N 3.27Å; K61-S64 PolarHBondContact O-N 3.48Å
62E92.8Very high95.9Very high95 Ų9547.7 Ų47.744%0.44425%0.247SC..Hα-helixtrans-68.1-33.3174.3-60.2-65.2139.100110L20 A58 I59 S64L20-E62 HydrophobicContact CD1-CB 3.77Å; L20-E62 HydrophobicContact CD1-CG 4.49Å; A58-E62 WeakPolarHBondContact O-CG 3.26Å; A58-E62 PolarHBondContact O-N 3.33Å; A58-E62 VanDerWaalsContact O-N 3.08Å; I59-E62 PolarHBondContact O-N 2.92Å; E62-S64 VanDerWaalsContact C-N 3.3Å; E62-S64 PolarHBondContact O-N 3.15Å
63S90.5Very high95.8Very high14 Ų1448.9 Ų48.910%0.09825%0.252CS..THydrogen-bonded Turntrans-8826.5173.5-48.40000114.4I59 L60 K61 C65 D93 C97I59-S63 PolarHBondContact O-N 3.36Å; I59-S63 PolarHBondContact O-OG 2.96Å; L60-S63 CarbonylContact O-C 3.58Å; L60-S63 PolarHBondContact O-N 3.19Å; K61-S63 VanDerWaalsContact C-N 3.27Å; S63-C65 PolarHBondContact O-N 3.43Å; S63-C65 PolarHBondContact O-SG 2.9Å; S63-D93 WeakPolarHBondContact O-CB 3.43Å; S63-C97 WeakPolarHBondContact CB-SG 3.29Å; S63-C97 PolarHBondContact OG-SG 3.44Å
64S91.8Very high95.7Very high94 Ų9448.9 Ų48.966%0.65726%0.257SS*.THydrogen-bonded Turntrans53.319.6175-58.20000117.3L60 K61 E62L60-S64 PolarHBondContact O-N 2.82Å; K61-S64 PolarHBondContact O-N 3.48Å; E62-S64 VanDerWaalsContact C-N 3.3Å; E62-S64 PolarHBondContact O-N 3.15Å
65C94.9Very high95.7Very high9 Ų951.3 Ų51.36%0.06127%0.267CS..  trans-97.9150.3178.4-67.60000111.9L60 S63 I87L60-C65 CarbonylContact C-O 3.57Å; L60-C65 HydrophobicContact CB-CB 3.98Å; L60-C65 HydrophobicContact CD2-CB 4.01Å; L60-C65 PolarHBondContact O-N 2.72Å; S63-C65 PolarHBondContact O-N 3.43Å; S63-C65 PolarHBondContact O-SG 2.9Å; C65-I87 HydrophobicContact CB-CG2 4.23Å
66E96.5Very high95.7Very high151 Ų15155.2 Ų55.271%0.70629%0.291SS*.EExtended strand (participates in β ladder)trans-107.1146.6175.7-62.7-174.616300110.5I87 S88E66-I87 CarbonylContact O-C 3.21Å; E66-I87 WeakPolarHBondContact O-CA 3.34Å; E66-S88 PolarHBondContact N-O 3.26Å; E66-S88 PolarHBondContact O-N 2.88Å
67I97.6Very high95.7Very high40 Ų4055.7 Ų55.721%0.20529%0.294CS..EExtended strand (participates in β ladder)trans-132.2132.6178.4-173.4163.2000111.7I42 V56 D57 L60 W69 A85 T86 I87I42-I67 HydrophobicContact CD1-CD1 4.14Å; V56-I67 HydrophobicContact CG1-CD1 3.76Å; D57-I67 WeakPolarHBondContact OD1-CG2 3.44Å; L60-I67 HydrophobicContact CD1-CB 3.81Å; L60-I67 HydrophobicContact CD1-CD1 3.67Å; L60-I67 HydrophobicContact CD1-CG1 4.27Å; L60-I67 HydrophobicContact CD1-CG2 4.18Å; I67-W69 HydrophobicContact CD1-CD2 4.17Å; I67-W69 HydrophobicContact CD1-CH2 3.82Å; I67-W69 HydrophobicContact CD1-CZ2 3.35Å; I67-W69 HydrophobicContact CD1-CZ3 4.42Å; I67-W69 HydrophobicContact CG1-CD2 4.37Å; I67-W69 HydrophobicContact CG1-CZ2 4.28Å; I67-A85 HydrophobicContact CD1-CB 3.8Å; I67-A85 HydrophobicContact CG1-CB 3.92Å; I67-T86 WeakPolarHBondContact CA-O 3.17Å; I67-I87 HydrophobicContact CD1-CG1 4.14Å; I67-I87 HydrophobicContact CG1-CG1 4.35Å
68E97.8Very high95.6Very high111 Ų11161.3 Ų61.352%0.51932%0.315SS..EExtended strand (participates in β ladder)trans-109.8122.1173.3174.8-170.5-135.800108H70 A85 T86E68-H70 IonicContact OE2-CE1 3.11Å; E68-H70 PolarHBondContact OE2-CE1 3.42Å; E68-H70 VanDerWaalsContact OE2-CE1 3.29Å; E68-H70 IonicContact OE2-NE2 3.63Å; E68-A85 CarbonylContact O-C 3.54Å; E68-A85 WeakPolarHBondContact O-CA 3.32Å; E68-A85 WeakPolarHBondContact O-CB 3.25Å; E68-T86 PolarHBondContact N-O 2.95Å; E68-T86 PolarHBondContact O-N 3.37Å; E68-T86 WeakPolarHBondContact OE2-CB 3.35Å; E68-T86 PolarHBondContact OE2-OG1 3.34Å
69W97.9Very high95.5Very high50 Ų5065.4 Ų65.419%0.18934%0.343CS..EExtended strand (participates in β ladder)trans-99.2130.1-179.5-68.2101.9000111.8I50 M53 V56 D57 I67 A85 L105I50-W69 HydrophobicContact CD1-CE3 4.44Å; I50-W69 HydrophobicContact CD1-CZ3 3.96Å; M53-W69 HydrophobicContact CB-CD2 4.27Å; M53-W69 HydrophobicContact CB-CH2 4.16Å; M53-W69 HydrophobicContact CB-CZ2 3.62Å; M53-W69 HydrophobicContact CE-CB 3.58Å; M53-W69 HydrophobicContact CE-CD2 3.45Å; M53-W69 VanDerWaalsContact CE-CD2 3.45Å; M53-W69 HydrophobicContact CE-CE3 3.89Å; M53-W69 HydrophobicContact CE-CG 3.31Å; M53-W69 HydrophobicContact CG-CD2 3.83Å; M53-W69 HydrophobicContact CG-CE3 3.83Å; M53-W69 HydrophobicContact CG-CH2 3.71Å; M53-W69 HydrophobicContact CG-CZ2 3.65Å; M53-W69 HydrophobicContact CG-CZ3 3.79Å; M53-W69 HydrophobicContact SD-CD2 4.34Å; M53-W69 HydrophobicContact SD-CE3 4.34Å; V56-W69 HydrophobicContact CB-CH2 4.27Å; V56-W69 HydrophobicContact CB-CZ2 3.94Å; V56-W69 HydrophobicContact CG1-CH2 4.07Å; V56-W69 HydrophobicContact CG1-CZ2 3.79Å; D57-W69 PolarHBondContact OD1-NE1 2.89Å; I67-W69 HydrophobicContact CD1-CD2 4.17Å; I67-W69 HydrophobicContact CD1-CH2 3.82Å; I67-W69 HydrophobicContact CD1-CZ2 3.35Å; I67-W69 HydrophobicContact CD1-CZ3 4.42Å; I67-W69 HydrophobicContact CG1-CD2 4.37Å; I67-W69 HydrophobicContact CG1-CZ2 4.28Å; W69-A85 HydrophobicContact CD2-CB 4.17Å; W69-A85 HydrophobicContact CE3-CB 3.7Å; W69-A85 HydrophobicContact CZ3-CB 3.88Å; W69-L105 HydrophobicContact CH2-CD1 4.19Å; W69-L105 HydrophobicContact CH2-CD2 3.98Å
70H97.3Very high95.3Very high87 Ų8767.6 Ų67.640%0.40336%0.358SS..SBendtrans-95.21.5178.7-56.6-64.8000113.2E68 V84 T86E68-H70 IonicContact OE2-CE1 3.11Å; E68-H70 PolarHBondContact OE2-CE1 3.42Å; E68-H70 VanDerWaalsContact OE2-CE1 3.29Å; E68-H70 IonicContact OE2-NE2 3.63Å; H70-V84 PolarHBondContact N-O 3.18Å; H70-T86 PolarHBondContact NE2-N 3.48Å; H70-T86 PolarHBondContact NE2-OG1 2.73Å
71V96.1Very high95.3Very high12 Ų1272.1 Ų72.17%0.07339%0.387CS..SBendtrans-141.5161.6-178-65.20000110.3I50 M53 V84I50-V71 HydrophobicContact CD1-CG2 3.64Å; I50-V71 HydrophobicContact CG2-CB 4.4Å; I50-V71 HydrophobicContact CG2-CG2 3.87Å; M53-V71 VanDerWaalsContact CE-O 3.28Å; M53-V71 WeakPolarHBondContact CE-O 3.3Å; V71-V84 HydrophobicContact CG1-CG1 4.24Å; V71-V84 HydrophobicContact CG2-CB 3.71Å; V71-V84 HydrophobicContact CG2-CG1 3.95Å
72C95Very high95.4Very high81 Ų8167.7 Ų67.755%0.54737%0.372SS..  trans-97.2151.2178-69.90000113.4I50 G74 Q75I50-C72 WeakPolarHBondContact CG2-O 3.46Å; C72-G74 PolarHBondContact O-N 2.9Å; C72-Q75 HydrophobicContact CB-CB 4.44Å; C72-Q75 WeakPolarHBondContact O-CB 3.07Å; C72-Q75 PolarHBondContact O-N 3.05Å
73E94.6Very high95.6Very high24 Ų2467.7 Ų67.711%0.11237%0.368CS..THydrogen-bonded Turntrans-60.1123.4174.6-177.571.3-152.400110.5V51 G52 M53 P54 Y147 I151V51-E73 WeakPolarHBondContact CA-OE1 3.29Å; V51-E73 WeakPolarHBondContact CG1-OE1 3.27Å; G52-E73 PolarHBondContact N-OE1 3.24Å; G52-E73 PolarHBondContact N-OE2 3.03Å; M53-E73 WeakPolarHBondContact CB-OE2 3.4Å; M53-E73 WeakPolarHBondContact CG-OE2 3.48Å; M53-E73 PolarHBondContact N-OE2 3.1Å; M53-E73 WeakPolarHBondContact SD-CA 3.41Å; M53-E73 HydrophobicContact SD-CB 3.65Å; M53-E73 PolarHBondContact SD-N 3.48Å; M53-E73 VanDerWaalsContact SD-OE2 3.37Å; P54-E73 WeakPolarHBondContact CD-OE2 3.36Å; E73-Y147 HydrophobicContact CG-CE1 4.37Å; E73-Y147 VanDerWaalsContact OE1-CE1 3.27Å; E73-Y147 WeakPolarHBondContact OE1-CE1 3.37Å; E73-I151 HydrophobicContact CG-CD1 3.78Å; E73-I151 WeakPolarHBondContact OE1-CD1 3.46Å
74G94.6Very high95.9Very high19 Ų1967 Ų6720%0.19636%0.363CS..THydrogen-bonded Turntrans8310.6-173.500000114.9I49 I50 C72I49-G74 WeakPolarHBondContact CG2-O 3.3Å; I50-G74 WeakPolarHBondContact O-CA 3.21Å; I50-G74 PolarHBondContact O-N 3.47Å; C72-G74 PolarHBondContact O-N 2.9Å
75Q95.7Very high96.2Very high72 Ų7262.6 Ų62.634%0.33633%0.332SS..PPolyproline II helixtrans-72.6130.9174.9179.4174-26.400111.6I49 I50 C72I49-Q75 WeakPolarHBondContact CA-O 3.46Å; I50-Q75 HydrophobicContact CG2-CB 4.15Å; I50-Q75 PolarHBondContact N-O 2.93Å; C72-Q75 HydrophobicContact CB-CB 4.44Å; C72-Q75 WeakPolarHBondContact O-CB 3.07Å; C72-Q75 PolarHBondContact O-N 3.05Å
76T97Very high96.4Very high81 Ų8162.5 Ų62.550%0.49733%0.331SS..EExtended strand (participates in β ladder)trans-78.6123.2172.1-44.30000111.1G48 I49 K78G48-T76 CarbonylContact O-C 3.46Å; G48-T76 WeakPolarHBondContact O-CA 3.49Å; I49-T76 HydrophobicContact CG1-CG2 4.26Å; T76-K78 HydrophobicContact CG2-CG 4.29Å
77V96.8Very high96.4Very high11 Ų1155.3 Ų55.37%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-103.3121.7173.3167.10000108.8M44 P47 G48 V82M44-V77 HydrophobicContact CE-CB 3.63Å; M44-V77 HydrophobicContact CE-CG1 3.92Å; M44-V77 HydrophobicContact CE-CG2 4.17Å; M44-V77 HydrophobicContact SD-CB 3.93Å; M44-V77 HydrophobicContact SD-CG1 4.07Å; M44-V77 HydrophobicContact SD-CG2 3.86Å; P47-V77 WeakPolarHBondContact CA-O 3.38Å; G48-V77 PolarHBondContact N-O 2.82Å; G48-V77 PolarHBondContact O-N 3.31Å; V77-V82 HydrophobicContact CB-CG1 4.47Å; V77-V82 HydrophobicContact CG1-CG1 3.49Å; V77-V82 VanDerWaalsContact CG1-CG1 3.49Å; V77-V82 HydrophobicContact CG2-CG1 4.11Å
78K94.8Very high96.3Very high181 Ų18155 Ų5579%0.78730%0.299SS*.  trans-110-17-179.1-63.9-174.2179.2-177.60114.3T76T76-K78 HydrophobicContact CG2-CG 4.29Å
79S94.7Very high96.1Very high97 Ų9750 Ų5068%0.67828%0.278SS*.SBendtrans-126.7130.8-176.9-57.70000108.7
80C93.1Very high95.8Very high46 Ų4648.2 Ų48.231%0.31127%0.274SS..SBendtrans-135154.5-175.1-70.40000110.3M44 H45 S46M44-C80 PolarHBondContact O-SG 2.83Å; H45-C80 VanDerWaalsContact O-CB 3.22Å; H45-C80 WeakPolarHBondContact O-CB 3.38Å; S46-C80 PolarHBondContact O-SG 2.94Å
81P95.7Very high95.4Very high96 Ų9646.5 Ų46.562%0.62327%0.267SS*.SBendcis-69.1148.2-531-36.1000112M44M44-P81 WeakPolarHBondContact O-CA 3.23Å
82V97.1Very high95.1Very high50 Ų5048.4 Ų48.430%0.30328%0.275SS..EExtended strand (participates in β ladder)trans-135.4139.317366.80000110.5D43 M44 V77 V84D43-V82 CarbonylContact C-O 3.49Å; D43-V82 WeakPolarHBondContact CA-O 3.39Å; M44-V82 HydrophobicContact CB-CG1 4.11Å; M44-V82 PolarHBondContact N-O 3.41Å; M44-V82 PolarHBondContact O-N 2.78Å; M44-V82 VanDerWaalsContact O-N 3.08Å; V77-V82 HydrophobicContact CB-CG1 4.47Å; V77-V82 HydrophobicContact CG1-CG1 3.49Å; V77-V82 VanDerWaalsContact CG1-CG1 3.49Å; V77-V82 HydrophobicContact CG2-CG1 4.11Å; V82-V84 HydrophobicContact CG1-CG1 4.23Å; V82-V84 PolarHBondContact O-N 3.4Å
83R97.7Very high94.9Very high96 Ų9646.9 Ų46.936%0.36226%0.262SS..EExtended strand (participates in β ladder)trans-72.9122.2176.1-169.3143.5-65.5159.63.4110.7D43D43-R83 WeakPolarHBondContact OD1-CA 3.4Å; D43-R83 WeakPolarHBondContact OD1-CB 3.24Å; D43-R83 WeakPolarHBondContact OD1-CG 3.42Å; D43-R83 IonicContact OD1-CZ 2.66Å; D43-R83 IonicContact OD1-NE 2.85Å; D43-R83 PolarHBondContact OD1-NE 3.01Å; D43-R83 IonicContact OD1-NH2 3.85Å; D43-R83 PolarHBondContact OD1-NH2 2.73Å; D43-R83 IonicContact OD2-CZ 3.41Å; D43-R83 IonicContact OD2-NE 3.47Å; D43-R83 IonicContact OD2-NH2 3.54Å; D43-R83 PolarHBondContact OD2-NH2 2.83Å
84V97.8Very high94.8Very high0 Ų045.8 Ų45.80%026%0.257CS..EExtended strand (participates in β ladder)trans-106.8-28.9179.8-61.30000112.7I42 M44 I50 H70 V71 V82 F271I42-V84 HydrophobicContact CB-CG2 3.88Å; I42-V84 HydrophobicContact CG2-CG2 3.7Å; I42-V84 VanDerWaalsContact O-CG2 3.31Å; I42-V84 WeakPolarHBondContact O-CG2 3.46Å; I42-V84 PolarHBondContact O-N 2.77Å; M44-V84 HydrophobicContact CB-CG1 3.63Å; M44-V84 HydrophobicContact CB-CG2 4.5Å; M44-V84 HydrophobicContact SD-CG1 4.27Å; I50-V84 HydrophobicContact CD1-CB 3.74Å; I50-V84 HydrophobicContact CD1-CG1 3.97Å; I50-V84 HydrophobicContact CD1-CG2 4.02Å; H70-V84 PolarHBondContact N-O 3.18Å; V71-V84 HydrophobicContact CG1-CG1 4.24Å; V71-V84 HydrophobicContact CG2-CB 3.71Å; V71-V84 HydrophobicContact CG2-CG1 3.95Å; V82-V84 HydrophobicContact CG1-CG1 4.23Å; V82-V84 PolarHBondContact O-N 3.4Å; V84-F271 HydrophobicContact CG2-CD1 4.27Å; V84-F271 HydrophobicContact CG2-CE1 4.08Å
85A98Very high94.6Very high0 Ų049.8 Ų49.80%027%0.269CS..EExtended strand (participates in β ladder)trans-150.9161.1175.300000114.8Y41 I42 I67 E68 W69Y41-A85 WeakPolarHBondContact CA-O 3.4Å; I42-A85 HydrophobicContact CB-CB 4.12Å; I42-A85 HydrophobicContact CD1-CB 3.84Å; I42-A85 HydrophobicContact CG1-CB 4Å; I42-A85 PolarHBondContact N-O 2.88Å; I42-A85 PolarHBondContact O-N 2.85Å; I67-A85 HydrophobicContact CD1-CB 3.8Å; I67-A85 HydrophobicContact CG1-CB 3.92Å; E68-A85 CarbonylContact O-C 3.54Å; E68-A85 WeakPolarHBondContact O-CA 3.32Å; E68-A85 WeakPolarHBondContact O-CB 3.25Å; W69-A85 HydrophobicContact CD2-CB 4.17Å; W69-A85 HydrophobicContact CE3-CB 3.7Å; W69-A85 HydrophobicContact CZ3-CB 3.88Å
86T98Very high94.3Very high7 Ų748.4 Ų48.44%0.04326%0.262CS..EExtended strand (participates in β ladder)trans-112.6124158.7-41.60000108.6K39 Y41 I67 E68 H70K39-T86 HydrophobicContact CB-CG2 4.35Å; K39-T86 HydrophobicContact CD-CG2 4.22Å; Y41-T86 HydrophobicContact CD1-CG2 3.99Å; Y41-T86 HydrophobicContact CE1-CG2 3.88Å; I67-T86 WeakPolarHBondContact CA-O 3.17Å; E68-T86 PolarHBondContact N-O 2.95Å; E68-T86 PolarHBondContact O-N 3.37Å; E68-T86 WeakPolarHBondContact OE2-CB 3.35Å; E68-T86 PolarHBondContact OE2-OG1 3.34Å; H70-T86 PolarHBondContact NE2-N 3.48Å; H70-T86 PolarHBondContact NE2-OG1 2.73Å
87I97.5Very high94.1Very high0 Ų044.6 Ų44.60%024%0.239CC..EExtended strand (participates in β ladder)trans-93.9140.5164.8-54.6173000108.4K39 V40 I42 L60 C65 E66 I67 I94 M273K39-I87 WeakPolarHBondContact CA-O 3.35Å; V40-I87 HydrophobicContact CB-CB 4.48Å; V40-I87 PolarHBondContact N-O 3.29Å; V40-I87 PolarHBondContact O-N 2.93Å; I42-I87 HydrophobicContact CD1-CD1 3.98Å; I42-I87 HydrophobicContact CD1-CG1 4.26Å; I42-I87 HydrophobicContact CG1-CD1 4.06Å; I42-I87 HydrophobicContact CG1-CG1 4.28Å; L60-I87 HydrophobicContact CD1-CD1 3.83Å; L60-I87 HydrophobicContact CD1-CG1 3.86Å; L60-I87 HydrophobicContact CD1-CG2 4.22Å; L60-I87 HydrophobicContact CD2-CD1 4.16Å; L60-I87 HydrophobicContact CD2-CG2 4.19Å; C65-I87 HydrophobicContact CB-CG2 4.23Å; E66-I87 CarbonylContact O-C 3.21Å; E66-I87 WeakPolarHBondContact O-CA 3.34Å; I67-I87 HydrophobicContact CD1-CG1 4.14Å; I67-I87 HydrophobicContact CG1-CG1 4.35Å; I87-I94 HydrophobicContact CD1-CG2 4.36Å; I87-I94 HydrophobicContact CG2-CD1 3.97Å; I87-I94 HydrophobicContact CG2-CG1 3.82Å; I87-I94 HydrophobicContact CG2-CG2 4.1Å; I87-M273 HydrophobicContact CD1-CE 3.91Å; I87-M273 HydrophobicContact CD1-SD 4.22Å
88S95.7Very high94Very high33 Ų3345.7 Ų45.723%0.23124%0.243CC..EExtended strand (participates in β ladder)trans-131.7136169.7-56.80000109.4K39 E66K39-S88 WeakPolarHBondContact CE-OG 2.96Å; E66-S88 PolarHBondContact N-O 3.26Å; E66-S88 PolarHBondContact O-N 2.88Å
89G93.7Very high93.9Very high7 Ų742.3 Ų42.37%0.07223%0.233CC..SBendtrans177.4-167.3-169.700000111.6R37R37-G89 VanDerWaalsContact CA-O 3.22Å; R37-G89 WeakPolarHBondContact CA-O 3.22Å; R37-G89 WeakPolarHBondContact CG-O 3.45Å
90A91Very high93.9Very high13 Ų1338.1 Ų38.111%0.10720%0.204CC..  trans-80.8140.816400000109.3G36 E92 D93 I94G36-A90 WeakPolarHBondContact O-CA 3.35Å; A90-E92 HydrophobicContact CB-CG 4.28Å; A90-E92 PolarHBondContact O-N 3.44Å; A90-D93 HydrophobicContact CB-CB 4.41Å; A90-D93 PolarHBondContact O-N 2.6Å; A90-I94 WeakPolarHBondContact O-CG1 3.36Å; A90-I94 PolarHBondContact O-N 2.81Å
91D89.1Confident94.1Very high50 Ų5036 Ų3627%0.26719%0.189SC..Hα-helixtrans-60.8-33.4-173-63.4-40.1000112.3G36 G38 F95G36-D91 WeakPolarHBondContact CA-OD2 3.37Å; G36-D91 PolarHBondContact N-OD2 3.41Å; G36-D91 PolarHBondContact O-N 2.78Å; G38-D91 WeakPolarHBondContact CA-OD1 3.36Å; G38-D91 PolarHBondContact N-OD1 3.42Å; D91-F95 VanDerWaalsContact O-CB 3.3Å; D91-F95 WeakPolarHBondContact O-CB 3.45Å; D91-F95 PolarHBondContact O-N 3.26Å
92E89.3Confident94.2Very high52 Ų5233.3 Ų33.324%0.24317%0.169CC..Hα-helixtrans-69.2-34.6176.166.2-163.6140.100113.8V29 S35 A90 F96V29-E92 HydrophobicContact CG1-CB 4.26Å; S35-E92 WeakPolarHBondContact CB-OE1 3.34Å; S35-E92 PolarHBondContact OG-OE1 3Å; A90-E92 HydrophobicContact CB-CG 4.28Å; A90-E92 PolarHBondContact O-N 3.44Å; E92-F96 VanDerWaalsContact O-CB 3.28Å; E92-F96 WeakPolarHBondContact O-CB 3.38Å; E92-F96 PolarHBondContact O-N 3.18Å; E92-F96 VanDerWaalsContact O-N 3.09Å
93D90.7Very high94.1Very high50 Ų5033.9 Ų33.927%0.26718%0.175SC..Hα-helixtrans-75.1-38.9176.5-72-37.9000111.2S63 A90 C97S63-D93 WeakPolarHBondContact O-CB 3.43Å; A90-D93 HydrophobicContact CB-CB 4.41Å; A90-D93 PolarHBondContact O-N 2.6Å; D93-C97 PolarHBondContact O-N 3.41Å; D93-C97 PolarHBondContact O-SG 2.85Å
94I92.7Very high94.1Very high0 Ų029.4 Ų29.40%016%0.159CC..Hα-helixtrans-66.3-48177.2-58170.5000110.1V40 I87 A90 F96 C97 E98 M273V40-I94 HydrophobicContact CB-CG2 4.05Å; V40-I94 HydrophobicContact CG2-CB 4.46Å; V40-I94 HydrophobicContact CG2-CD1 3.96Å; V40-I94 HydrophobicContact CG2-CG2 3.68Å; I87-I94 HydrophobicContact CD1-CG2 4.36Å; I87-I94 HydrophobicContact CG2-CD1 3.97Å; I87-I94 HydrophobicContact CG2-CG1 3.82Å; I87-I94 HydrophobicContact CG2-CG2 4.1Å; A90-I94 WeakPolarHBondContact O-CG1 3.36Å; A90-I94 PolarHBondContact O-N 2.81Å; I94-F96 VanDerWaalsContact C-N 3.33Å; I94-F96 PolarHBondContact O-N 2.66Å; I94-C97 CarbonylContact O-C 3.6Å; I94-C97 PolarHBondContact O-N 3.47Å; I94-E98 PolarHBondContact O-N 2.77Å; I94-M273 HydrophobicContact CG2-CE 3.65Å
95F90.2Very high94.1Very high103 Ų10329.4 Ų29.445%0.45216%0.159SC..Hα-helixtrans-64.3-37.3179.2-173-76000111.8V29 D91 C97 E98 Y275V29-F95 HydrophobicContact CB-CD1 4.23Å; V29-F95 HydrophobicContact CG1-CB 4.08Å; V29-F95 HydrophobicContact CG1-CD1 3.68Å; V29-F95 HydrophobicContact CG1-CE1 4.37Å; V29-F95 HydrophobicContact CG1-CG 4.04Å; V29-F95 HydrophobicContact CG2-CD1 3.44Å; V29-F95 VanDerWaalsContact CG2-CD1 3.44Å; V29-F95 HydrophobicContact CG2-CE1 3.76Å; D91-F95 VanDerWaalsContact O-CB 3.3Å; D91-F95 WeakPolarHBondContact O-CB 3.45Å; D91-F95 PolarHBondContact O-N 3.26Å; F95-C97 PolarHBondContact O-N 2.91Å; F95-E98 WeakPolarHBondContact O-CB 3.37Å; F95-E98 PolarHBondContact O-N 2.67Å; F95-Y275 VanDerWaalsContact CA-OH 3.28Å; F95-Y275 WeakPolarHBondContact CA-OH 3.37Å; F95-Y275 WeakPolarHBondContact CB-OH 3.28Å
96F90.4Very high94.1Very high43 Ų4330 Ų3019%0.18916%0.163CC..Hα-helixtrans-59-32.2172.3-176.6-102.3000112.7L20 S24 N27 E92 I94L20-F96 HydrophobicContact CD2-CD1 4.12Å; L20-F96 HydrophobicContact CD2-CE1 3.76Å; S24-F96 WeakPolarHBondContact OG-CE2 3.29Å; N27-F96 HydrophobicContact CB-CD2 3.83Å; N27-F96 HydrophobicContact CB-CE2 3.82Å; N27-F96 WeakPolarHBondContact ND2-CD2 3.39Å; N27-F96 WeakPolarHBondContact OD1-CD2 3.48Å; E92-F96 VanDerWaalsContact O-CB 3.28Å; E92-F96 WeakPolarHBondContact O-CB 3.38Å; E92-F96 PolarHBondContact O-N 3.18Å; E92-F96 VanDerWaalsContact O-N 3.09Å; I94-F96 VanDerWaalsContact C-N 3.33Å; I94-F96 PolarHBondContact O-N 2.66Å
97C93Very high94.1Very high1 Ų132.3 Ų32.31%0.00717%0.171CC..Hα-helixtrans-89.1-16.9179.3-62.40000114.5I59 L60 S63 D93 I94 F95 N99 L100 V101I59-C97 HydrophobicContact CG2-CB 4.1Å; L60-C97 HydrophobicContact CD2-CB 3.89Å; S63-C97 WeakPolarHBondContact CB-SG 3.29Å; S63-C97 PolarHBondContact OG-SG 3.44Å; D93-C97 PolarHBondContact O-N 3.41Å; D93-C97 PolarHBondContact O-SG 2.85Å; I94-C97 CarbonylContact O-C 3.6Å; I94-C97 PolarHBondContact O-N 3.47Å; F95-C97 PolarHBondContact O-N 2.91Å; C97-N99 PolarHBondContact O-N 3.48Å; C97-L100 PolarHBondContact O-N 2.85Å; C97-L100 VanDerWaalsContact O-N 3.11Å; C97-V101 HydrophobicContact CB-CG2 4.11Å; C97-V101 WeakPolarHBondContact O-CG2 3.47Å; C97-V101 PolarHBondContact O-N 3.31Å
98E93.8Very high94.1Very high35 Ų3532.3 Ų32.316%0.16417%0.171CC..Hα-helixtrans-53.1-55.5-166.3175.8162.9179.300113.4I94 F95 L100 V101 I102 M273 Y275I94-E98 PolarHBondContact O-N 2.77Å; F95-E98 WeakPolarHBondContact O-CB 3.37Å; F95-E98 PolarHBondContact O-N 2.67Å; E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 3.07Å; E98-V101 PolarHBondContact O-N 3.45Å; E98-I102 HydrophobicContact CG-CD1 3.88Å; E98-I102 WeakPolarHBondContact O-CB 3.37Å; E98-I102 WeakPolarHBondContact O-CG1 3.48Å; E98-I102 PolarHBondContact O-N 3.4Å; E98-M273 HydrophobicContact CB-CE 3.72Å; E98-M273 HydrophobicContact CB-SD 4.15Å; E98-M273 HydrophobicContact CG-CB 4.21Å; E98-M273 HydrophobicContact CG-CE 3.75Å; E98-M273 HydrophobicContact CG-SD 3.82Å; E98-Y275 VanDerWaalsContact OE2-CE2 3.25Å; E98-Y275 WeakPolarHBondContact OE2-CE2 3.35Å; E98-Y275 PolarHBondContact OE2-OH 3.49Å
99N92.8Very high94.2Very high109 Ų10930.7 Ų30.758%0.58316%0.16SC*.Hα-helixtrans-60.1-38.7179.9-74.3-46.9000112.6C97 S103C97-N99 PolarHBondContact O-N 3.48Å; N99-S103 WeakPolarHBondContact O-CB 3.35Å; N99-S103 PolarHBondContact O-N 3.49Å; N99-S103 PolarHBondContact O-OG 2.86Å
100L94.9Very high94.4Very high10 Ų1030.5 Ų30.55%0.05216%0.157CC..Hα-helixtrans-72.8-43-178.8-18058.8000111.4W19 L20 E23 I59 C97 E98 S103 V104W19-L100 HydrophobicContact CB-CD1 3.84Å; W19-L100 HydrophobicContact CB-CD2 3.71Å; W19-L100 HydrophobicContact CB-CG 4.43Å; W19-L100 HydrophobicContact CD2-CD1 4.24Å; W19-L100 HydrophobicContact CE3-CD1 4.25Å; W19-L100 HydrophobicContact CG-CD1 4.11Å; L20-L100 HydrophobicContact CD2-CD2 4.05Å; L20-L100 HydrophobicContact CG-CD2 4.13Å; E23-L100 HydrophobicContact CG-CB 4.39Å; E23-L100 HydrophobicContact CG-CD2 4.22Å; I59-L100 HydrophobicContact CD1-CD2 4.06Å; I59-L100 HydrophobicContact CD1-CG 3.84Å; I59-L100 HydrophobicContact CG1-CD2 4.01Å; I59-L100 HydrophobicContact CG1-CG 4.35Å; I59-L100 HydrophobicContact CG2-CD2 3.98Å; I59-L100 HydrophobicContact CG2-CG 4.41Å; C97-L100 PolarHBondContact O-N 2.85Å; C97-L100 VanDerWaalsContact O-N 3.11Å; E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 3.07Å; L100-S103 PolarHBondContact O-N 2.86Å; L100-V104 HydrophobicContact CD1-CG2 4.15Å; L100-V104 WeakPolarHBondContact O-CB 3.34Å; L100-V104 VanDerWaalsContact O-CG2 3.26Å; L100-V104 WeakPolarHBondContact O-CG2 3.45Å; L100-V104 PolarHBondContact O-N 2.76Å
101V97.2Very high94.7Very high1 Ų129.9 Ų29.91%0.00615%0.152CC..Hα-helixtrans-62.1-49.7176.4168.30000110.9I42 V56 I59 L60 C97 E98 V104 L105 M273I42-V101 HydrophobicContact CD1-CG1 3.94Å; V56-V101 HydrophobicContact CG1-CG1 3.79Å; V56-V101 HydrophobicContact CG1-CG2 4.14Å; V56-V101 HydrophobicContact CG2-CG1 4.07Å; I59-V101 HydrophobicContact CG2-CG2 3.96Å; L60-V101 HydrophobicContact CD2-CG2 4.1Å; L60-V101 HydrophobicContact CG-CG2 4.21Å; C97-V101 HydrophobicContact CB-CG2 4.11Å; C97-V101 WeakPolarHBondContact O-CG2 3.47Å; C97-V101 PolarHBondContact O-N 3.31Å; E98-V101 PolarHBondContact O-N 3.45Å; V101-V104 PolarHBondContact O-N 3.43Å; V101-L105 HydrophobicContact CG1-CD1 4.06Å; V101-L105 WeakPolarHBondContact O-CG 3.33Å; V101-L105 PolarHBondContact O-N 3.26Å; V101-M273 HydrophobicContact CG1-SD 4.29Å
102I97Very high95Very high39 Ų3927.5 Ų27.520%0.214%0.14CC..Hα-helixtrans-61-46.5176.3-67.9171.8000110.3E98 V104 L105 S106 F271 M273E98-I102 HydrophobicContact CG-CD1 3.88Å; E98-I102 WeakPolarHBondContact O-CB 3.37Å; E98-I102 WeakPolarHBondContact O-CG1 3.48Å; E98-I102 PolarHBondContact O-N 3.4Å; I102-V104 PolarHBondContact O-N 3.16Å; I102-L105 PolarHBondContact O-N 2.82Å; I102-S106 WeakPolarHBondContact O-CB 3.39Å; I102-S106 PolarHBondContact O-N 3.09Å; I102-F271 HydrophobicContact CG2-CB 4.45Å; I102-M273 HydrophobicContact CD1-CB 4.19Å; I102-M273 HydrophobicContact CD1-CG 4.11Å; I102-M273 HydrophobicContact CD1-SD 4.17Å; I102-M273 HydrophobicContact CG1-CG 4.25Å; I102-M273 HydrophobicContact CG1-SD 4.03Å
103S96.2Very high95.4Very high62 Ų6226.2 Ų26.243%0.43414%0.135SC..Hα-helixtrans-61.7-40.2-179.8-67.80000113.3N99 L100 R107N99-S103 WeakPolarHBondContact O-CB 3.35Å; N99-S103 PolarHBondContact O-N 3.49Å; N99-S103 PolarHBondContact O-OG 2.86Å; L100-S103 PolarHBondContact O-N 2.86Å; S103-R107 WeakPolarHBondContact O-CB 3.4Å; S103-R107 WeakPolarHBondContact O-CD 3.41Å; S103-R107 WeakPolarHBondContact O-CG 3.33Å; S103-R107 PolarHBondContact O-N 2.91Å
104V97.4Very high95.7Very high2 Ų224 Ų241%0.01212%0.123CC..Hα-helixtrans-67-51.6177.7167.30000110.6W19 F55 V56 I59 L100 V101 I102 A108 F141W19-V104 HydrophobicContact CE3-CG2 4.29Å; W19-V104 HydrophobicContact CH2-CG2 4.09Å; W19-V104 HydrophobicContact CZ3-CG2 3.85Å; F55-V104 HydrophobicContact CB-CG1 3.78Å; V56-V104 HydrophobicContact CG2-CG1 4.29Å; I59-V104 HydrophobicContact CD1-CG2 3.98Å; L100-V104 HydrophobicContact CD1-CG2 4.15Å; L100-V104 WeakPolarHBondContact O-CB 3.34Å; L100-V104 VanDerWaalsContact O-CG2 3.26Å; L100-V104 WeakPolarHBondContact O-CG2 3.45Å; L100-V104 PolarHBondContact O-N 2.76Å; V101-V104 PolarHBondContact O-N 3.43Å; I102-V104 PolarHBondContact O-N 3.16Å; V104-A108 WeakPolarHBondContact O-CB 3.33Å; V104-A108 PolarHBondContact O-N 3.23Å; V104-F141 HydrophobicContact CG2-CE2 4.26Å
105L97.9Very high95.9Very high0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-62.4-47.4-180-70.9172000112I42 V56 W69 V101 I102 R107 A108 S109 F271I42-L105 HydrophobicContact CD1-CD1 4.08Å; I42-L105 HydrophobicContact CG2-CD1 4.27Å; V56-L105 HydrophobicContact CG2-CD1 4.13Å; V56-L105 HydrophobicContact CG2-CD2 3.83Å; V56-L105 HydrophobicContact CG2-CG 3.68Å; W69-L105 HydrophobicContact CH2-CD1 4.19Å; W69-L105 HydrophobicContact CH2-CD2 3.98Å; V101-L105 HydrophobicContact CG1-CD1 4.06Å; V101-L105 WeakPolarHBondContact O-CG 3.33Å; V101-L105 PolarHBondContact O-N 3.26Å; I102-L105 PolarHBondContact O-N 2.82Å; L105-R107 VanDerWaalsContact C-N 3.35Å; L105-R107 PolarHBondContact O-N 3.21Å; L105-A108 PolarHBondContact O-N 2.99Å; L105-S109 WeakPolarHBondContact O-CB 3.38Å; L105-S109 PolarHBondContact O-N 2.8Å; L105-S109 PolarHBondContact O-OG 3.34Å; L105-F271 VanDerWaalsContact C-CE2 3.5Å; L105-F271 HydrophobicContact CB-CD2 3.86Å; L105-F271 HydrophobicContact CB-CE1 4.46Å; L105-F271 HydrophobicContact CB-CE2 3.68Å; L105-F271 HydrophobicContact CB-CG 4.34Å; L105-F271 HydrophobicContact CB-CZ 4.01Å
106S97.8Very high96.1Very high14 Ų1420.4 Ų20.410%0.09811%0.111CC..Hα-helixtrans-59.9-43.4-177.6-175.40000112.4I102 G110 F268 V269I102-S106 WeakPolarHBondContact O-CB 3.39Å; I102-S106 PolarHBondContact O-N 3.09Å; S106-G110 PolarHBondContact O-N 3Å; S106-G110 VanDerWaalsContact O-N 3.11Å; S106-F268 WeakPolarHBondContact OG-CB 3.37Å; S106-F268 WeakPolarHBondContact OG-CD1 3.42Å; S106-V269 WeakPolarHBondContact CA-O 3.25Å; S106-V269 WeakPolarHBondContact CB-O 3.4Å; S106-V269 PolarHBondContact O-N 2.92Å; S106-V269 PolarHBondContact OG-O 2.94Å
107R97.6Very high96.4Very high54 Ų5422.6 Ų22.620%0.20412%0.118CC..Hα-helixtrans-70.2-51176-71.5173.763.977.97.1112.1S103 L105 G110 I111 T138 F141 E145 Y266 F268S103-R107 WeakPolarHBondContact O-CB 3.4Å; S103-R107 WeakPolarHBondContact O-CD 3.41Å; S103-R107 WeakPolarHBondContact O-CG 3.33Å; S103-R107 PolarHBondContact O-N 2.91Å; L105-R107 VanDerWaalsContact C-N 3.35Å; L105-R107 PolarHBondContact O-N 3.21Å; R107-G110 PolarHBondContact O-N 3.28Å; R107-I111 VanDerWaalsContact O-CG1 3.28Å; R107-I111 WeakPolarHBondContact O-CG1 3.41Å; R107-I111 PolarHBondContact O-N 3.5Å; R107-T138 PolarHBondContact NH2-OG1 3.12Å; R107-F141 HydrophobicContact CB-CE1 3.82Å; R107-F141 HydrophobicContact CB-CZ 3.58Å; R107-F141 HydrophobicContact CG-CZ 4.3Å; R107-E145 IonicContact NH2-OE1 2.72Å; R107-E145 PolarHBondContact NH2-OE1 3.07Å; R107-Y266 HydrophobicContact CB-CE2 4.35Å; R107-Y266 HydrophobicContact CG-CE2 4.43Å; R107-Y266 PolarHBondContact NH1-OH 3.39Å; R107-Y266 PolarHBondContact NH2-OH 3.23Å; R107-F268 HydrophobicContact CG-CD1 4.21Å; R107-F268 HydrophobicContact CG-CE1 3.72Å
108A97.4Very high96.5Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-65.6-43.2-174.600000111.9V51 V104 L105 I111 A112 V144 A148V51-A108 HydrophobicContact CB-CB 4.39Å; V51-A108 HydrophobicContact CG1-CB 3.96Å; V51-A108 WeakPolarHBondContact O-CB 3.1Å; V104-A108 WeakPolarHBondContact O-CB 3.33Å; V104-A108 PolarHBondContact O-N 3.23Å; L105-A108 PolarHBondContact O-N 2.99Å; A108-I111 PolarHBondContact O-N 2.99Å; A108-A112 WeakPolarHBondContact O-CB 3.46Å; A108-A112 PolarHBondContact O-N 2.97Å; A108-V144 HydrophobicContact CB-CG1 3.57Å; A108-A148 WeakPolarHBondContact O-CB 3.26Å
109S97.9Very high96.5Very high0 Ų022.4 Ų22.40%012%0.118CC..Hα-helixtrans-66.7-36174.5-54.80000112I49 V51 L105 A112 T113I49-S109 VanDerWaalsContact O-CA 3.26Å; I49-S109 WeakPolarHBondContact O-CA 3.41Å; I49-S109 WeakPolarHBondContact O-CB 3.41Å; V51-S109 PolarHBondContact N-OG 2.94Å; V51-S109 PolarHBondContact O-OG 2.77Å; L105-S109 WeakPolarHBondContact O-CB 3.38Å; L105-S109 PolarHBondContact O-N 2.8Å; L105-S109 PolarHBondContact O-OG 3.34Å; S109-A112 PolarHBondContact O-N 2.97Å; S109-T113 VanDerWaalsContact O-CB 3.27Å; S109-T113 WeakPolarHBondContact O-CB 3.33Å; S109-T113 PolarHBondContact O-N 3.05Å; S109-T113 PolarHBondContact O-OG1 2.99Å
110G97.7Very high96.5Very high2 Ų221.8 Ų21.82%0.02111%0.114CC..Hα-helixtrans-62.4-47.6173.500000113.1S106 R107 A112 T113 L114 A267S106-G110 PolarHBondContact O-N 3Å; S106-G110 VanDerWaalsContact O-N 3.11Å; R107-G110 PolarHBondContact O-N 3.28Å; G110-A112 PolarHBondContact O-N 3.01Å; G110-T113 PolarHBondContact O-N 2.78Å; G110-L114 PolarHBondContact O-N 2.92Å; G110-A267 WeakPolarHBondContact CA-O 3.45Å
111I97.3Very high96.5Very high0 Ų022.8 Ų22.80%012%0.119CC..Hα-helixtrans-57.4-49.5174.1-66.9166.2000110.4R107 A108 T113 L114 A115 F141 E145 A148 M149 Y266R107-I111 VanDerWaalsContact O-CG1 3.28Å; R107-I111 WeakPolarHBondContact O-CG1 3.41Å; R107-I111 PolarHBondContact O-N 3.5Å; A108-I111 PolarHBondContact O-N 2.99Å; I111-T113 VanDerWaalsContact C-N 3.34Å; I111-T113 PolarHBondContact O-N 2.91Å; I111-L114 PolarHBondContact O-N 3.32Å; I111-A115 VanDerWaalsContact O-CB 3.28Å; I111-A115 WeakPolarHBondContact O-CB 3.41Å; I111-A115 PolarHBondContact O-N 3.47Å; I111-F141 HydrophobicContact CD1-CE1 4.45Å; I111-E145 HydrophobicContact CD1-CB 3.86Å; I111-E145 HydrophobicContact CD1-CG 3.62Å; I111-A148 HydrophobicContact CB-CB 3.89Å; I111-A148 HydrophobicContact CG2-CB 3.65Å; I111-M149 HydrophobicContact CG2-CG 3.73Å; I111-Y266 HydrophobicContact CB-CD1 4.43Å; I111-Y266 HydrophobicContact CD1-CD1 4.37Å; I111-Y266 HydrophobicContact CD1-CE1 3.71Å; I111-Y266 HydrophobicContact CG1-CD1 3.38Å; I111-Y266 HydrophobicContact CG1-CD2 4.36Å; I111-Y266 HydrophobicContact CG1-CE1 3.2Å; I111-Y266 HydrophobicContact CG1-CE2 4.24Å; I111-Y266 HydrophobicContact CG1-CG 3.97Å
112A96.8Very high96.3Very high0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-63.5-40-179.100000112.5I49 V51 A108 S109 G110 L114 A115 S116 A148 S152I49-A112 HydrophobicContact CB-CB 4.33Å; I49-A112 HydrophobicContact CG2-CB 4.47Å; V51-A112 HydrophobicContact CB-CB 4.04Å; V51-A112 HydrophobicContact CG2-CB 3.42Å; V51-A112 VanDerWaalsContact CG2-CB 3.42Å; A108-A112 WeakPolarHBondContact O-CB 3.46Å; A108-A112 PolarHBondContact O-N 2.97Å; S109-A112 PolarHBondContact O-N 2.97Å; G110-A112 PolarHBondContact O-N 3.01Å; A112-L114 PolarHBondContact O-N 3.47Å; A112-A115 PolarHBondContact O-N 2.85Å; A112-S116 VanDerWaalsContact O-CB 3.29Å; A112-S116 WeakPolarHBondContact O-CB 3.44Å; A112-S116 PolarHBondContact O-N 3.35Å; A112-A148 HydrophobicContact CB-CB 4.36Å; A112-S152 WeakPolarHBondContact CA-OG 3.48Å; A112-S152 WeakPolarHBondContact CB-OG 3.44Å; A112-S152 PolarHBondContact O-OG 3.08Å
113T97.3Very high96Very high25 Ų2528.5 Ų28.515%0.15315%0.145CC..Hα-helixtrans-66.8-34.4177.9-56.80000112.5G48 I49 S109 G110 I111 R117G48-T113 VanDerWaalsContact CA-OG1 3.27Å; G48-T113 WeakPolarHBondContact CA-OG1 3.43Å; I49-T113 PolarHBondContact N-OG1 2.87Å; S109-T113 VanDerWaalsContact O-CB 3.27Å; S109-T113 WeakPolarHBondContact O-CB 3.33Å; S109-T113 PolarHBondContact O-N 3.05Å; S109-T113 PolarHBondContact O-OG1 2.99Å; G110-T113 PolarHBondContact O-N 2.78Å; I111-T113 VanDerWaalsContact C-N 3.34Å; I111-T113 PolarHBondContact O-N 2.91Å; T113-R117 WeakPolarHBondContact O-CG 3.27Å; T113-R117 PolarHBondContact O-N 3.38Å; T113-R117 PolarHBondContact O-NE 2.95Å; T113-R117 VanDerWaalsContact O-NE 3.11Å
114L96.8Very high95.8Very high3 Ų332 Ų322%0.01615%0.154CC..Hα-helixtrans-73.1-48.4171.3177.759.3000111.6G110 I111 A112 S116 R117 I118 D242 D243 K261 L262G110-L114 PolarHBondContact O-N 2.92Å; I111-L114 PolarHBondContact O-N 3.32Å; A112-L114 PolarHBondContact O-N 3.47Å; L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 2.96Å; L114-R117 PolarHBondContact O-N 2.68Å; L114-I118 HydrophobicContact CD1-CD1 3.79Å; L114-I118 HydrophobicContact CD1-CG1 4.14Å; L114-I118 HydrophobicContact CG-CD1 3.88Å; L114-I118 WeakPolarHBondContact O-CG1 2.92Å; L114-I118 PolarHBondContact O-N 3.43Å; L114-I118 VanDerWaalsContact O-N 3.07Å; L114-D242 HydrophobicContact CD1-CB 4.05Å; L114-D243 WeakPolarHBondContact CD1-OD1 3.26Å; L114-K261 WeakPolarHBondContact CD2-O 3.5Å; L114-L262 HydrophobicContact CG-CD2 4.4Å
115A96.2Very high95.4Very high0 Ų034 Ų340%017%0.166CC..Hα-helixtrans-58.7-42.4-178.900000112.3I111 A112 I118 Q119 S152 V154 L262I111-A115 VanDerWaalsContact O-CB 3.28Å; I111-A115 WeakPolarHBondContact O-CB 3.41Å; I111-A115 PolarHBondContact O-N 3.47Å; A112-A115 PolarHBondContact O-N 2.85Å; A115-I118 PolarHBondContact O-N 3.23Å; A115-Q119 WeakPolarHBondContact O-CB 3.42Å; A115-Q119 VanDerWaalsContact O-CG 3.29Å; A115-Q119 WeakPolarHBondContact O-CG 3.45Å; A115-Q119 PolarHBondContact O-N 3.44Å; A115-S152 VanDerWaalsContact CB-CB 3.47Å; A115-V154 HydrophobicContact CB-CG2 3.94Å; A115-L262 HydrophobicContact CB-CD2 3.9Å
116S95.5Very high95.1Very high29 Ų2940.2 Ų40.220%0.20321%0.21CC..Hα-helixtrans-69-40.1177.3-179.50000113.1I49 A112 L114 I118 Q119 L120I49-S116 WeakPolarHBondContact CD1-OG 3.45Å; A112-S116 VanDerWaalsContact O-CB 3.29Å; A112-S116 WeakPolarHBondContact O-CB 3.44Å; A112-S116 PolarHBondContact O-N 3.35Å; L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 2.96Å; S116-I118 VanDerWaalsContact C-N 3.34Å; S116-I118 PolarHBondContact O-N 3.21Å; S116-Q119 PolarHBondContact O-N 2.99Å; S116-L120 WeakPolarHBondContact O-CG 3.35Å; S116-L120 PolarHBondContact O-N 3.16Å
117R95.7Very high94.9Very high88 Ų8840.8 Ų40.833%0.33221%0.21SC..Hα-helixtrans-57.5-47.3173.2-81.1-177.6-67.9144.2-3.2111.5T113 L114 Q119 L120 I121 D243T113-R117 WeakPolarHBondContact O-CG 3.27Å; T113-R117 PolarHBondContact O-N 3.38Å; T113-R117 PolarHBondContact O-NE 2.95Å; T113-R117 VanDerWaalsContact O-NE 3.11Å; L114-R117 PolarHBondContact O-N 2.68Å; R117-Q119 PolarHBondContact O-N 3.36Å; R117-L120 PolarHBondContact O-N 2.86Å; R117-I121 WeakPolarHBondContact O-CB 3.21Å; R117-I121 PolarHBondContact O-N 2.82Å; R117-D243 HydrophobicContact CB-CB 4.12Å; R117-D243 IonicContact CZ-OD1 3.01Å; R117-D243 IonicContact CZ-OD2 2.68Å; R117-D243 IonicContact NE-OD2 3.18Å; R117-D243 IonicContact NH1-OD1 2.72Å; R117-D243 PolarHBondContact NH1-OD1 2.87Å; R117-D243 IonicContact NH1-OD2 3.55Å; R117-D243 PolarHBondContact NH1-OD2 2.85Å
118I95.1Very high94.5Very high4 Ų448.2 Ų48.22%0.02124%0.244CC..Hα-helixtrans-61.2-44.1177.3-65.7170.8000110.6L114 A115 S116 I121 I122 I131 D243 V246 L262L114-I118 HydrophobicContact CD1-CD1 3.79Å; L114-I118 HydrophobicContact CD1-CG1 4.14Å; L114-I118 HydrophobicContact CG-CD1 3.88Å; L114-I118 WeakPolarHBondContact O-CG1 2.92Å; L114-I118 PolarHBondContact O-N 3.43Å; L114-I118 VanDerWaalsContact O-N 3.07Å; A115-I118 PolarHBondContact O-N 3.23Å; S116-I118 VanDerWaalsContact C-N 3.34Å; S116-I118 PolarHBondContact O-N 3.21Å; I118-I121 PolarHBondContact O-N 2.68Å; I118-I122 HydrophobicContact CG2-CG1 4.48Å; I118-I122 VanDerWaalsContact O-CG1 3.28Å; I118-I122 WeakPolarHBondContact O-CG1 3.2Å; I118-I122 PolarHBondContact O-N 3.33Å; I118-I131 HydrophobicContact CG2-CD1 3.73Å; I118-D243 HydrophobicContact CG1-CB 4.13Å; I118-V246 HydrophobicContact CG2-CB 4.33Å; I118-V246 HydrophobicContact CG2-CG1 4.19Å; I118-V246 HydrophobicContact CG2-CG2 4.02Å; I118-L262 HydrophobicContact CD1-CD2 3.84Å
119Q93.7Very high94.3Very high29 Ų2949.3 Ų49.314%0.13626%0.255CS..Hα-helixtrans-65.1-42178.8-76.2-79.422.400113.6A115 S116 R117 I121 I122 Q123 I131 G153 V154A115-Q119 WeakPolarHBondContact O-CB 3.42Å; A115-Q119 VanDerWaalsContact O-CG 3.29Å; A115-Q119 WeakPolarHBondContact O-CG 3.45Å; A115-Q119 PolarHBondContact O-N 3.44Å; S116-Q119 PolarHBondContact O-N 2.99Å; R117-Q119 PolarHBondContact O-N 3.36Å; Q119-I121 VanDerWaalsContact C-N 3.32Å; Q119-I121 PolarHBondContact O-N 3.09Å; Q119-I122 PolarHBondContact O-N 2.95Å; Q119-Q123 VanDerWaalsContact O-CG 3.3Å; Q119-Q123 WeakPolarHBondContact O-CG 3.43Å; Q119-Q123 PolarHBondContact O-N 3.11Å; Q119-I131 HydrophobicContact CG-CD1 4.05Å; Q119-G153 VanDerWaalsContact NE2-C 3.28Å; Q119-G153 PolarHBondContact NE2-O 2.83Å; Q119-V154 HydrophobicContact CG-CG2 4.17Å
120L93.9Very high94.1Very high96 Ų9651.4 Ų51.450%0.50327%0.268SS..Hα-helixtrans-59.4-45.2173.5-71.9167.5000110.8S116 R117 I122 Q123 E124S116-L120 WeakPolarHBondContact O-CG 3.35Å; S116-L120 PolarHBondContact O-N 3.16Å; R117-L120 PolarHBondContact O-N 2.86Å; L120-I122 VanDerWaalsContact C-N 3.33Å; L120-I122 PolarHBondContact O-N 2.98Å; L120-Q123 WeakPolarHBondContact O-CB 3.43Å; L120-Q123 PolarHBondContact O-N 3.31Å; L120-Q123 VanDerWaalsContact O-N 3.15Å; L120-E124 PolarHBondContact O-N 3.36Å
121I94.1Very high93.9Very high30 Ų3051.7 Ų51.715%0.15427%0.269CS..Hα-helixtrans-64.2-35177.2-86.2163.2000112.9R117 I118 Q119 E124 D243 V246 K247R117-I121 WeakPolarHBondContact O-CB 3.21Å; R117-I121 PolarHBondContact O-N 2.82Å; I118-I121 PolarHBondContact O-N 2.68Å; Q119-I121 VanDerWaalsContact C-N 3.32Å; Q119-I121 PolarHBondContact O-N 3.09Å; I121-E124 PolarHBondContact O-N 3.02Å; I121-D243 HydrophobicContact CD1-CB 3.65Å; I121-D243 WeakPolarHBondContact CD1-O 3.44Å; I121-V246 HydrophobicContact CB-CG1 4.49Å; I121-V246 HydrophobicContact CG2-CG1 3.37Å; I121-K247 HydrophobicContact CG2-CD 4.17Å; I121-K247 HydrophobicContact CG2-CG 3.56Å
122I92.4Very high93.8Very high16 Ų1654 Ų548%0.08228%0.278CS..Hα-helixtrans-69-35.4174.1-72-122.4000111.1I118 Q119 L120 E124 V125 W127 I131 V246 A250 L257I118-I122 HydrophobicContact CG2-CG1 4.48Å; I118-I122 VanDerWaalsContact O-CG1 3.28Å; I118-I122 WeakPolarHBondContact O-CG1 3.2Å; I118-I122 PolarHBondContact O-N 3.33Å; Q119-I122 PolarHBondContact O-N 2.95Å; L120-I122 VanDerWaalsContact C-N 3.33Å; L120-I122 PolarHBondContact O-N 2.98Å; I122-E124 PolarHBondContact O-N 3.47Å; I122-V125 PolarHBondContact O-N 3.3Å; I122-V125 VanDerWaalsContact O-O 3.05Å; I122-W127 HydrophobicContact CD1-CD2 4.42Å; I122-W127 HydrophobicContact CD1-CE3 3.56Å; I122-W127 HydrophobicContact CD1-CH2 4.45Å; I122-W127 HydrophobicContact CD1-CZ3 3.56Å; I122-W127 HydrophobicContact CG2-CE3 3.71Å; I122-W127 HydrophobicContact CG2-CZ3 4.21Å; I122-I131 HydrophobicContact CB-CD1 4.34Å; I122-I131 HydrophobicContact CD1-CD1 3.75Å; I122-I131 HydrophobicContact CD1-CG1 3.87Å; I122-I131 HydrophobicContact CG1-CD1 3.79Å; I122-I131 HydrophobicContact CG1-CG1 4.43Å; I122-V246 HydrophobicContact CD1-CG2 3.79Å; I122-V246 HydrophobicContact CG1-CG2 4.06Å; I122-A250 HydrophobicContact CD1-CB 3.9Å; I122-L257 HydrophobicContact CD1-CD1 3.87Å
123Q90.8Very high93.7Very high144 Ų14454.2 Ų54.267%0.67328%0.279SS*.Hα-helixtrans-67.3-22.4175.5-68.4163.522.500113.2Q119 L120 V125Q119-Q123 VanDerWaalsContact O-CG 3.3Å; Q119-Q123 WeakPolarHBondContact O-CG 3.43Å; Q119-Q123 PolarHBondContact O-N 3.11Å; L120-Q123 WeakPolarHBondContact O-CB 3.43Å; L120-Q123 PolarHBondContact O-N 3.31Å; L120-Q123 VanDerWaalsContact O-N 3.15Å; Q123-V125 VanDerWaalsContact C-N 3.33Å
124E91.7Very high93.3Very high136 Ų13653.1 Ų53.164%0.63627%0.272SS*.THydrogen-bonded Turntrans-76.2-18171-64.6175.5178.500113.4L120 I121 I122 K247L120-E124 PolarHBondContact O-N 3.36Å; I121-E124 PolarHBondContact O-N 3.02Å; I122-E124 PolarHBondContact O-N 3.47Å; E124-K247 WeakPolarHBondContact OE2-CE 3.2Å; E124-K247 IonicContact OE2-NZ 2.63Å; E124-K247 PolarHBondContact OE2-NZ 3.23Å
125V90.9Very high92.7Very high44 Ų4455.4 Ų55.427%0.26728%0.284SS..THydrogen-bonded Turntrans-101.7141.8-177.2-178.40000109.7I122 Q123 W127 K247 A250I122-V125 PolarHBondContact O-N 3.3Å; I122-V125 VanDerWaalsContact O-O 3.05Å; Q123-V125 VanDerWaalsContact C-N 3.33Å; V125-W127 HydrophobicContact CG1-CB 4.12Å; V125-W127 PolarHBondContact O-N 3.16Å; V125-K247 HydrophobicContact CG2-CD 4.39Å; V125-K247 HydrophobicContact CG2-CG 4.1Å; V125-A250 WeakPolarHBondContact CG1-O 3.28Å
126S89.9Confident92.1Very high130 Ų13059.6 Ų59.691%0.90930%0.3SS*.THydrogen-bonded Turntrans-7546.3174.2-61.10000113.1
127W93.6Very high91.8Very high27 Ų2760.8 Ų60.810%0.10230%0.3CS..  trans-89.7140.6177-170.659.5000110.3I122 V125 G129 T130 I131 A250 T251 V254 L257I122-W127 HydrophobicContact CD1-CD2 4.42Å; I122-W127 HydrophobicContact CD1-CE3 3.56Å; I122-W127 HydrophobicContact CD1-CH2 4.45Å; I122-W127 HydrophobicContact CD1-CZ3 3.56Å; I122-W127 HydrophobicContact CG2-CE3 3.71Å; I122-W127 HydrophobicContact CG2-CZ3 4.21Å; V125-W127 HydrophobicContact CG1-CB 4.12Å; V125-W127 PolarHBondContact O-N 3.16Å; W127-G129 VanDerWaalsContact CH2-C 3.42Å; W127-G129 WeakPolarHBondContact CZ3-O 3.28Å; W127-T130 VanDerWaalsContact CH2-N 3.31Å; W127-T130 WeakPolarHBondContact CH2-O 3.44Å; W127-I131 HydrophobicContact CZ3-CG1 4.07Å; W127-A250 HydrophobicContact CB-CB 4.25Å; W127-A250 VanDerWaalsContact CD1-C 3.4Å; W127-A250 HydrophobicContact CD2-CB 4.09Å; W127-A250 HydrophobicContact CG-CB 3.99Å; W127-T251 PolarHBondContact NE1-O 3.28Å; W127-V254 PolarHBondContact NE1-O 3.15Å; W127-L257 HydrophobicContact CH2-CB 3.79Å; W127-L257 HydrophobicContact CH2-CD1 3.63Å; W127-L257 HydrophobicContact CH2-CG 3.52Å; W127-L257 HydrophobicContact CZ2-CB 4.26Å; W127-L257 HydrophobicContact CZ2-CD1 3.77Å; W127-L257 HydrophobicContact CZ2-CG 3.53Å; W127-L257 HydrophobicContact CZ3-CD1 4.1Å; W127-L257 HydrophobicContact CZ3-CG 4.44Å
128K90.9Very high91.7Very high210 Ų21058.9 Ų58.991%0.91330%0.299SS*.  trans-108.33.1-178.4-65.4-173.6178-1780113.7
129G92.7Very high91.5Very high23 Ų2363.9 Ų63.924%0.23733%0.331CS..  trans-85.3-175.2-175.900000114.2W127 D255W127-G129 VanDerWaalsContact CH2-C 3.42Å; W127-G129 WeakPolarHBondContact CZ3-O 3.28Å; G129-D255 WeakPolarHBondContact CA-O 3.26Å
130T93.5Very high91.5Very high44 Ų4464.4 Ų64.427%0.2735%0.345SS..EExtended strand (participates in β ladder)trans-121.1132.7-178.4-50.30000111.2W127 Y132 D255 H256 L257W127-T130 VanDerWaalsContact CH2-N 3.31Å; W127-T130 WeakPolarHBondContact CH2-O 3.44Å; T130-Y132 HydrophobicContact CG2-CD1 4.1Å; T130-Y132 HydrophobicContact CG2-CE1 3.69Å; T130-D255 PolarHBondContact N-O 3.07Å; T130-H256 WeakPolarHBondContact O-CA 3.3Å; T130-L257 PolarHBondContact O-N 3.15Å
131I94.3Very high91.5Very high7 Ų760.7 Ų60.74%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-79.7119.9165.3-42.7-177.2000108.8I118 Q119 I122 W127 V154 S155 L257I118-I131 HydrophobicContact CG2-CD1 3.73Å; Q119-I131 HydrophobicContact CG-CD1 4.05Å; I122-I131 HydrophobicContact CB-CD1 4.34Å; I122-I131 HydrophobicContact CD1-CD1 3.75Å; I122-I131 HydrophobicContact CD1-CG1 3.87Å; I122-I131 HydrophobicContact CG1-CD1 3.79Å; I122-I131 HydrophobicContact CG1-CG1 4.43Å; W127-I131 HydrophobicContact CZ3-CG1 4.07Å; I131-V154 HydrophobicContact CB-CG1 4.38Å; I131-V154 HydrophobicContact CG2-CG1 4.01Å; I131-V154 HydrophobicContact CG2-CG2 4.47Å; I131-S155 PolarHBondContact O-N 3.45Å; I131-L257 CarbonylContact C-O 3.56Å; I131-L257 WeakPolarHBondContact CA-O 3.36Å
132Y94.6Very high91.5Very high49 Ų4959.9 Ų59.919%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-100.7148.4172-70.4-51.4000112T130 S155 E156 R157 H256 L257 T258T130-Y132 HydrophobicContact CG2-CD1 4.1Å; T130-Y132 HydrophobicContact CG2-CE1 3.69Å; Y132-S155 WeakPolarHBondContact CA-O 3.47Å; Y132-E156 WeakPolarHBondContact CD1-O 3.48Å; Y132-E156 WeakPolarHBondContact CE1-O 3.16Å; Y132-R157 HydrophobicContact CD1-CB 4.22Å; Y132-R157 HydrophobicContact CD1-CG 4.43Å; Y132-R157 HydrophobicContact CD2-CG 4.15Å; Y132-R157 HydrophobicContact CG-CB 4.08Å; Y132-R157 HydrophobicContact CG-CG 4.04Å; Y132-H256 HydrophobicContact CD2-CB 3.9Å; Y132-H256 HydrophobicContact CE2-CB 3.82Å; Y132-H256 AromaticContact CE2-CE1 3.89Å; Y132-H256 AromaticContact CE2-CG 3.46Å; Y132-H256 VanDerWaalsContact CE2-CG 3.46Å; Y132-H256 AromaticContact CE2-ND1 3.38Å; Y132-H256 WeakPolarHBondContact CE2-ND1 3.48Å; Y132-H256 AromaticContact CZ-ND1 3.92Å; Y132-L257 PolarHBondContact N-O 3.29Å; Y132-T258 WeakPolarHBondContact O-CB 3.05Å
133M93.3Very high91.6Very high5 Ų561.5 Ų61.53%0.02533%0.332CS..PPolyproline II helixtrans-61.9145.5167-60.2-179.8-160.800110.8E146 M149 M150 V154 S155M133-E146 HydrophobicContact CE-CG 4.28Å; M133-E146 WeakPolarHBondContact CE-O 3.47Å; M133-E146 HydrophobicContact SD-CB 4.22Å; M133-E146 HydrophobicContact SD-CG 3.77Å; M133-M149 HydrophobicContact CB-CE 3.87Å; M133-M149 HydrophobicContact CB-SD 4Å; M133-M149 HydrophobicContact CE-CB 4.02Å; M133-M149 HydrophobicContact CG-CB 3.86Å; M133-M149 HydrophobicContact CG-CE 3.85Å; M133-M149 HydrophobicContact CG-CG 4.47Å; M133-M149 HydrophobicContact CG-SD 3.82Å; M133-M149 HydrophobicContact SD-CB 4.07Å; M133-M149 HydrophobicContact SD-CE 4.06Å; M133-M150 HydrophobicContact CE-CB 3.84Å; M133-V154 WeakPolarHBondContact CE-O 2.96Å; M133-V154 HydrophobicContact CG-CG1 3.83Å; M133-S155 WeakPolarHBondContact CG-O 3.41Å; M133-S155 PolarHBondContact N-O 3.09Å
134P90.6Very high91.8Very high2 Ų254.6 Ų54.61%0.01330%0.3CS..PPolyproline II helixtrans-69.6136.2176.528.9-34.7000112.2R136 R137 M149 T258 L260 C263P134-R136 PolarHBondContact O-N 2.57Å; P134-R136 VanDerWaalsContact O-N 3.11Å; P134-R137 WeakPolarHBondContact O-CG 3.42Å; P134-M149 HydrophobicContact CG-SD 4.49Å; P134-T258 VanDerWaalsContact CA-OG1 3.28Å; P134-T258 WeakPolarHBondContact CA-OG1 3.39Å; P134-L260 HydrophobicContact CB-CD2 3.75Å; P134-L260 HydrophobicContact CB-CG 4.33Å; P134-C263 HydrophobicContact CG-CB 4.35Å; P134-C263 VanDerWaalsContact CG-SG 3.51Å
135D82.8Confident92Very high51 Ų5148.1 Ų48.127%0.27327%0.27SS..SBendtrans-60.7-21176.3-55-78.3000113.3R157D135-R157 WeakPolarHBondContact OD1-CD 3.09Å; D135-R157 IonicContact OD1-NH1 2.96Å; D135-R157 IonicContact OD2-CZ 3.76Å; D135-R157 IonicContact OD2-NH1 3.36Å; D135-R157 PolarHBondContact OD2-NH1 3.19Å
136R84.3Confident92.1Very high87 Ų8748.6 Ų48.633%0.32827%0.269SS..  trans-110.3115.2177.6-61.6-173.5-67.8-158.7-2.6110.3P134 L260 S534P134-R136 PolarHBondContact O-N 2.57Å; P134-R136 VanDerWaalsContact O-N 3.11Å; R136-L260 HydrophobicContact CB-CD2 3.91Å; R136-S534 PolarHBondContact NH1-O 2.86Å; R136-S534 PolarHBondContact NH2-O 3.01Å
137R90.1Very high92.4Very high54 Ų5442.6 Ų42.620%0.20423%0.226CC..  trans-126.6163-177.3-63.5-172.4-61.9-146.710.9110.3P134 P139 E145 E146P134-R137 WeakPolarHBondContact O-CG 3.42Å; R137-P139 WeakPolarHBondContact O-CD 3.46Å; R137-E145 WeakPolarHBondContact CA-OE2 3.41Å; R137-E145 VanDerWaalsContact CB-OE2 3.27Å; R137-E145 WeakPolarHBondContact CB-OE2 3.37Å; R137-E146 IonicContact CZ-OE2 3.24Å; R137-E146 IonicContact NH1-OE2 2.74Å; R137-E146 PolarHBondContact NH1-OE2 3.29Å; R137-E146 IonicContact NH2-OE2 3.74Å; R137-E146 PolarHBondContact NH2-OE2 3.27Å
138T92.4Very high92.5Very high49 Ų4941.3 Ų41.330%0.30122%0.221SC..  trans-59.9121.2-178.6-58.70000110.7R107 G140 F141 G142 E145R107-T138 PolarHBondContact NH2-OG1 3.12Å; T138-G140 PolarHBondContact O-N 2.79Å; T138-F141 HydrophobicContact CG2-CB 3.92Å; T138-F141 PolarHBondContact O-N 2.87Å; T138-G142 PolarHBondContact O-N 3.34Å; T138-E145 WeakPolarHBondContact CB-OE1 3.3Å; T138-E145 PolarHBondContact N-OE2 2.94Å; T138-E145 PolarHBondContact OG1-OE1 3.03Å
139P91.4Very high92.7Very high109 Ų10931.3 Ų31.371%0.70818%0.178SC*.THydrogen-bonded Turntrans-58.3132.8177-24.735000111.3R137 F141R137-P139 WeakPolarHBondContact O-CD 3.46Å; P139-F141 PolarHBondContact O-N 3.39Å
140G92.6Very high92.7Very high40 Ų4033.3 Ų33.341%0.41218%0.182SC..THydrogen-bonded Turntrans75.41.6-176.300000115.7W19 T138W19-G140 PolarHBondContact NE1-O 3.28Å; T138-G140 PolarHBondContact O-N 2.79Å
141F94.9Very high92.7Very high17 Ų1732.7 Ų32.78%0.07518%0.177CC..THydrogen-bonded Turntrans-135.2-13.4178.2-167.3-98.1000113.7W19 V104 R107 I111 T138 P139 L143 V144 E145W19-F141 AromaticContact CZ2-CD2 3.8Å; W19-F141 HydrophobicContact CZ2-CD2 3.8Å; W19-F141 HydrophobicContact CZ2-CE2 4.22Å; V104-F141 HydrophobicContact CG2-CE2 4.26Å; R107-F141 HydrophobicContact CB-CE1 3.82Å; R107-F141 HydrophobicContact CB-CZ 3.58Å; R107-F141 HydrophobicContact CG-CZ 4.3Å; I111-F141 HydrophobicContact CD1-CE1 4.45Å; T138-F141 HydrophobicContact CG2-CB 3.92Å; T138-F141 PolarHBondContact O-N 2.87Å; P139-F141 PolarHBondContact O-N 3.39Å; F141-L143 PolarHBondContact O-N 2.87Å; F141-V144 HydrophobicContact CD1-CB 4.09Å; F141-V144 HydrophobicContact CD2-CB 4.36Å; F141-V144 HydrophobicContact CD2-CG2 3.96Å; F141-V144 HydrophobicContact CE1-CB 3.72Å; F141-V144 HydrophobicContact CE1-CG1 3.91Å; F141-V144 HydrophobicContact CE1-CG2 4.34Å; F141-V144 HydrophobicContact CE2-CB 4.03Å; F141-V144 HydrophobicContact CE2-CG1 4.16Å; F141-V144 HydrophobicContact CE2-CG2 3.78Å; F141-V144 HydrophobicContact CG-CB 4.39Å; F141-V144 HydrophobicContact CG-CG2 4.32Å; F141-V144 HydrophobicContact CZ-CB 3.68Å; F141-V144 HydrophobicContact CZ-CG1 3.56Å; F141-V144 HydrophobicContact CZ-CG2 3.98Å; F141-V144 WeakPolarHBondContact O-CB 3.42Å; F141-V144 PolarHBondContact O-N 3.44Å; F141-E145 HydrophobicContact CD1-CG 3.51Å; F141-E145 WeakPolarHBondContact CD1-OE1 3.46Å; F141-E145 HydrophobicContact CE1-CG 3.89Å; F141-E145 PolarHBondContact O-N 3.2Å
142G93.8Very high92.6Very high13 Ų1333.2 Ų33.213%0.13418%0.181CC..Hα-helixtrans-56.7-18.2-172.800000117.8T138 E146T138-G142 PolarHBondContact O-N 3.34Å; G142-E146 WeakPolarHBondContact O-CB 3.36Å; G142-E146 PolarHBondContact O-N 2.81Å
143L94.1Very high92.5Very high50 Ų5033 Ų3326%0.26219%0.194SC..Hα-helixtrans-69-35.6170.7178.761.7000111.8I7 L15 F55 F141 Y147I7-L143 HydrophobicContact CD1-CD1 4.39Å; I7-L143 HydrophobicContact CD1-CD2 4.46Å; I7-L143 HydrophobicContact CD1-CG 4.28Å; L15-L143 HydrophobicContact CD2-CB 4.22Å; L15-L143 HydrophobicContact CD2-CD2 4.1Å; F55-L143 HydrophobicContact CE1-CD2 4.18Å; F55-L143 HydrophobicContact CE1-CG 4.17Å; F55-L143 HydrophobicContact CZ-CG 4.17Å; F141-L143 PolarHBondContact O-N 2.87Å; L143-Y147 WeakPolarHBondContact O-CB 3.22Å; L143-Y147 PolarHBondContact O-N 3.18Å
144V95.7Very high92.5Very high0 Ų033 Ų330%019%0.194CC..Hα-helixtrans-69.6-40.2174.8-168.80000110.3L15 W19 F55 A108 F141 Y147 A148L15-V144 HydrophobicContact CD2-CG2 4.41Å; W19-V144 HydrophobicContact CH2-CG2 3.56Å; W19-V144 HydrophobicContact CZ2-CG2 3.84Å; F55-V144 HydrophobicContact CD1-CG2 3.96Å; F55-V144 HydrophobicContact CD2-CG1 4.13Å; F55-V144 HydrophobicContact CD2-CG2 4.28Å; F55-V144 HydrophobicContact CE1-CG2 3.74Å; F55-V144 HydrophobicContact CE2-CB 4.17Å; F55-V144 HydrophobicContact CE2-CG1 3.95Å; F55-V144 HydrophobicContact CE2-CG2 4.06Å; F55-V144 HydrophobicContact CG-CG2 4.23Å; F55-V144 HydrophobicContact CZ-CB 4.14Å; F55-V144 HydrophobicContact CZ-CG1 4.42Å; F55-V144 HydrophobicContact CZ-CG2 3.78Å; A108-V144 HydrophobicContact CB-CG1 3.57Å; F141-V144 HydrophobicContact CD1-CB 4.09Å; F141-V144 HydrophobicContact CD2-CB 4.36Å; F141-V144 HydrophobicContact CD2-CG2 3.96Å; F141-V144 HydrophobicContact CE1-CB 3.72Å; F141-V144 HydrophobicContact CE1-CG1 3.91Å; F141-V144 HydrophobicContact CE1-CG2 4.34Å; F141-V144 HydrophobicContact CE2-CB 4.03Å; F141-V144 HydrophobicContact CE2-CG1 4.16Å; F141-V144 HydrophobicContact CE2-CG2 3.78Å; F141-V144 HydrophobicContact CG-CB 4.39Å; F141-V144 HydrophobicContact CG-CG2 4.32Å; F141-V144 HydrophobicContact CZ-CB 3.68Å; F141-V144 HydrophobicContact CZ-CG1 3.56Å; F141-V144 HydrophobicContact CZ-CG2 3.98Å; F141-V144 WeakPolarHBondContact O-CB 3.42Å; F141-V144 PolarHBondContact O-N 3.44Å; V144-Y147 PolarHBondContact O-N 2.89Å; V144-A148 WeakPolarHBondContact O-CB 3.08Å; V144-A148 PolarHBondContact O-N 2.9Å
145E95.8Very high92.5Very high0 Ų035.3 Ų35.30%021%0.21CC..Hα-helixtrans-66.5-43.6179.2-47.4-169.4152.400111.2R107 I111 R137 T138 F141 A148 M149R107-E145 IonicContact NH2-OE1 2.72Å; R107-E145 PolarHBondContact NH2-OE1 3.07Å; I111-E145 HydrophobicContact CD1-CB 3.86Å; I111-E145 HydrophobicContact CD1-CG 3.62Å; R137-E145 WeakPolarHBondContact CA-OE2 3.41Å; R137-E145 VanDerWaalsContact CB-OE2 3.27Å; R137-E145 WeakPolarHBondContact CB-OE2 3.37Å; T138-E145 WeakPolarHBondContact CB-OE1 3.3Å; T138-E145 PolarHBondContact N-OE2 2.94Å; T138-E145 PolarHBondContact OG1-OE1 3.03Å; F141-E145 HydrophobicContact CD1-CG 3.51Å; F141-E145 WeakPolarHBondContact CD1-OE1 3.46Å; F141-E145 HydrophobicContact CE1-CG 3.89Å; F141-E145 PolarHBondContact O-N 3.2Å; E145-A148 PolarHBondContact O-N 3.34Å; E145-M149 HydrophobicContact CB-CE 4.19Å; E145-M149 WeakPolarHBondContact O-CB 3.27Å; E145-M149 WeakPolarHBondContact O-CE 3.49Å; E145-M149 WeakPolarHBondContact O-CG 3.2Å; E145-M149 PolarHBondContact O-N 3.4Å
146E93.8Very high92.8Very high53 Ų5339.4 Ų39.425%0.24823%0.227CC..Hα-helixtrans-57.1-49.5171.4-176.7171.99300111.9M133 R137 G142 A148 M149 M150M133-E146 HydrophobicContact CE-CG 4.28Å; M133-E146 WeakPolarHBondContact CE-O 3.47Å; M133-E146 HydrophobicContact SD-CB 4.22Å; M133-E146 HydrophobicContact SD-CG 3.77Å; R137-E146 IonicContact CZ-OE2 3.24Å; R137-E146 IonicContact NH1-OE2 2.74Å; R137-E146 PolarHBondContact NH1-OE2 3.29Å; R137-E146 IonicContact NH2-OE2 3.74Å; R137-E146 PolarHBondContact NH2-OE2 3.27Å; G142-E146 WeakPolarHBondContact O-CB 3.36Å; G142-E146 PolarHBondContact O-N 2.81Å; E146-A148 PolarHBondContact O-N 3.04Å; E146-M149 PolarHBondContact O-N 2.98Å; E146-M150 VanDerWaalsContact O-CB 3.3Å; E146-M150 WeakPolarHBondContact O-CB 3.27Å; E146-M150 PolarHBondContact O-N 2.94Å
147Y94.8Very high92.8Very high4 Ų436.2 Ų36.22%0.01622%0.215CC..Hα-helixtrans-61-43.7179.8-172.6-109.9000112.7I7 V51 P54 F55 E73 L143 V144 M150 I151I7-Y147 HydrophobicContact CB-CD2 4.11Å; I7-Y147 HydrophobicContact CB-CE2 4.02Å; I7-Y147 HydrophobicContact CD1-CD2 3.9Å; I7-Y147 HydrophobicContact CD1-CE2 4.38Å; I7-Y147 HydrophobicContact CD1-CG 4.14Å; I7-Y147 HydrophobicContact CG1-CD2 4.45Å; I7-Y147 HydrophobicContact CG2-CE2 4.18Å; V51-Y147 HydrophobicContact CG1-CD1 4.3Å; P54-Y147 HydrophobicContact CG-CE1 4.15Å; F55-Y147 AromaticContact CE2-CD1 3.69Å; F55-Y147 HydrophobicContact CE2-CD1 3.69Å; F55-Y147 HydrophobicContact CE2-CE1 4.37Å; F55-Y147 HydrophobicContact CE2-CG 4.05Å; F55-Y147 HydrophobicContact CZ-CG 4.49Å; E73-Y147 HydrophobicContact CG-CE1 4.37Å; E73-Y147 VanDerWaalsContact OE1-CE1 3.27Å; E73-Y147 WeakPolarHBondContact OE1-CE1 3.37Å; L143-Y147 WeakPolarHBondContact O-CB 3.22Å; L143-Y147 PolarHBondContact O-N 3.18Å; V144-Y147 PolarHBondContact O-N 2.89Å; Y147-M150 HydrophobicContact CD2-CE 3.7Å; Y147-M150 HydrophobicContact CE2-CE 4.16Å; Y147-M150 PolarHBondContact O-N 3.18Å; Y147-I151 HydrophobicContact CD1-CD1 3.67Å; Y147-I151 HydrophobicContact CE1-CD1 3.31Å; Y147-I151 HydrophobicContact CE2-CD1 4.22Å; Y147-I151 HydrophobicContact CG-CD1 4.28Å; Y147-I151 WeakPolarHBondContact O-CG1 3.46Å; Y147-I151 PolarHBondContact O-N 2.62Å
148A95.6Very high92.3Very high0 Ų042 Ų420%024%0.242CC..Hα-helixtrans-67.3-40.4178.800000113.5V51 A108 I111 A112 V144 E145 E146 S152V51-A148 HydrophobicContact CG1-CB 3.74Å; A108-A148 WeakPolarHBondContact O-CB 3.26Å; I111-A148 HydrophobicContact CB-CB 3.89Å; I111-A148 HydrophobicContact CG2-CB 3.65Å; A112-A148 HydrophobicContact CB-CB 4.36Å; V144-A148 WeakPolarHBondContact O-CB 3.08Å; V144-A148 PolarHBondContact O-N 2.9Å; E145-A148 PolarHBondContact O-N 3.34Å; E146-A148 PolarHBondContact O-N 3.04Å; A148-S152 PolarHBondContact O-N 3.48Å; A148-S152 PolarHBondContact O-OG 2.94Å
149M95.2Very high91.9Very high0 Ų043.3 Ų43.30%026%0.258CS..Hα-helixtrans-65-41.2173.1-75.6-174.2-73.800111.5I111 M133 P134 E145 E146 S152 G153 V154 L262 C263I111-M149 HydrophobicContact CG2-CG 3.73Å; M133-M149 HydrophobicContact CB-CE 3.87Å; M133-M149 HydrophobicContact CB-SD 4Å; M133-M149 HydrophobicContact CE-CB 4.02Å; M133-M149 HydrophobicContact CG-CB 3.86Å; M133-M149 HydrophobicContact CG-CE 3.85Å; M133-M149 HydrophobicContact CG-CG 4.47Å; M133-M149 HydrophobicContact CG-SD 3.82Å; M133-M149 HydrophobicContact SD-CB 4.07Å; M133-M149 HydrophobicContact SD-CE 4.06Å; P134-M149 HydrophobicContact CG-SD 4.49Å; E145-M149 HydrophobicContact CB-CE 4.19Å; E145-M149 WeakPolarHBondContact O-CB 3.27Å; E145-M149 WeakPolarHBondContact O-CE 3.49Å; E145-M149 WeakPolarHBondContact O-CG 3.2Å; E145-M149 PolarHBondContact O-N 3.4Å; E146-M149 PolarHBondContact O-N 2.98Å; M149-S152 CarbonylContact O-C 3.55Å; M149-S152 WeakPolarHBondContact O-CB 3.29Å; M149-S152 PolarHBondContact O-N 2.8Å; M149-G153 PolarHBondContact O-N 3.45Å; M149-V154 HydrophobicContact CB-CB 4.05Å; M149-V154 HydrophobicContact CB-CG1 4.41Å; M149-V154 WeakPolarHBondContact O-CB 3Å; M149-V154 PolarHBondContact O-N 2.95Å; M149-L262 HydrophobicContact SD-CB 3.88Å; M149-L262 HydrophobicContact SD-CD1 4.02Å; M149-L262 HydrophobicContact SD-CG 4.47Å; M149-C263 VanDerWaalsContact CE-SG 3.55Å
150M93.7Very high91.7Very high66 Ų6638.5 Ų38.533%0.32523%0.227SC..Hα-helixtrans-64.5-44.2178.6-178.417659.600112.8V6 M133 E146 Y147 S152 G153V6-M150 HydrophobicContact CB-CE 3.88Å; V6-M150 HydrophobicContact CB-SD 4.4Å; V6-M150 HydrophobicContact CG1-CE 3.72Å; V6-M150 HydrophobicContact CG1-SD 3.72Å; M133-M150 HydrophobicContact CE-CB 3.84Å; E146-M150 VanDerWaalsContact O-CB 3.3Å; E146-M150 WeakPolarHBondContact O-CB 3.27Å; E146-M150 PolarHBondContact O-N 2.94Å; Y147-M150 HydrophobicContact CD2-CE 3.7Å; Y147-M150 HydrophobicContact CE2-CE 4.16Å; Y147-M150 PolarHBondContact O-N 3.18Å; M150-S152 PolarHBondContact O-N 2.75Å; M150-G153 PolarHBondContact O-N 3.28Å
151I93.1Very high91.6Very high31 Ų3138.6 Ų38.616%0.15922%0.219CC..Hα-helixtrans-57.5-35.9173.7-77.3161.2000111.3C3 V51 E73 Y147 G153C3-I151 HydrophobicContact CB-CD1 4.21Å; C3-I151 HydrophobicContact CB-CG1 3.66Å; V51-I151 HydrophobicContact CG1-CD1 3.85Å; V51-I151 HydrophobicContact CG2-CB 4.41Å; V51-I151 HydrophobicContact CG2-CD1 4.1Å; V51-I151 HydrophobicContact CG2-CG2 3.88Å; E73-I151 HydrophobicContact CG-CD1 3.78Å; E73-I151 WeakPolarHBondContact OE1-CD1 3.46Å; Y147-I151 HydrophobicContact CD1-CD1 3.67Å; Y147-I151 HydrophobicContact CE1-CD1 3.31Å; Y147-I151 HydrophobicContact CE2-CD1 4.22Å; Y147-I151 HydrophobicContact CG-CD1 4.28Å; Y147-I151 WeakPolarHBondContact O-CG1 3.46Å; Y147-I151 PolarHBondContact O-N 2.62Å; I151-G153 PolarHBondContact O-N 3.33Å
152S92.8Very high91.4Very high17 Ų1740.9 Ų40.912%0.11924%0.237CC..THydrogen-bonded Turntrans-80.74.1178.8-50.60000113.8A112 A115 A148 M149 M150 V154A112-S152 WeakPolarHBondContact CA-OG 3.48Å; A112-S152 WeakPolarHBondContact CB-OG 3.44Å; A112-S152 PolarHBondContact O-OG 3.08Å; A115-S152 VanDerWaalsContact CB-CB 3.47Å; A148-S152 PolarHBondContact O-N 3.48Å; A148-S152 PolarHBondContact O-OG 2.94Å; M149-S152 CarbonylContact O-C 3.55Å; M149-S152 WeakPolarHBondContact O-CB 3.29Å; M149-S152 PolarHBondContact O-N 2.8Å; M150-S152 PolarHBondContact O-N 2.75Å; S152-V154 PolarHBondContact O-N 2.95Å
153G91.3Very high91.2Very high46 Ų4641 Ų4147%0.47424%0.235SC..THydrogen-bonded Turntrans80.65.6178.100000115.6Q119 M149 M150 I151Q119-G153 VanDerWaalsContact NE2-C 3.28Å; Q119-G153 PolarHBondContact NE2-O 2.83Å; M149-G153 PolarHBondContact O-N 3.45Å; M150-G153 PolarHBondContact O-N 3.28Å; I151-G153 PolarHBondContact O-N 3.33Å
154V93.3Very high91Very high5 Ų544.9 Ų44.93%0.0325%0.246CC..PPolyproline II helixtrans-71.2133.2172.5179.40000109A115 Q119 I131 M133 M149 S152A115-V154 HydrophobicContact CB-CG2 3.94Å; Q119-V154 HydrophobicContact CG-CG2 4.17Å; I131-V154 HydrophobicContact CB-CG1 4.38Å; I131-V154 HydrophobicContact CG2-CG1 4.01Å; I131-V154 HydrophobicContact CG2-CG2 4.47Å; M133-V154 WeakPolarHBondContact CE-O 2.96Å; M133-V154 HydrophobicContact CG-CG1 3.83Å; M149-V154 HydrophobicContact CB-CB 4.05Å; M149-V154 HydrophobicContact CB-CG1 4.41Å; M149-V154 WeakPolarHBondContact O-CB 3Å; M149-V154 PolarHBondContact O-N 2.95Å; S152-V154 PolarHBondContact O-N 2.95Å
155S92.1Very high90.5Very high49 Ų4945 Ų4534%0.34325%0.248SC..BIsolated β-bridgetrans-81.9146-174.1-65.50000112.4I131 Y132 M133I131-S155 PolarHBondContact O-N 3.45Å; Y132-S155 WeakPolarHBondContact CA-O 3.47Å; M133-S155 WeakPolarHBondContact CG-O 3.41Å; M133-S155 PolarHBondContact N-O 3.09Å
156E89Confident89.8Confident137 Ų13750.2 Ų50.264%0.6427%0.272SS*.PPolyproline II helixtrans-64.2139.6166-165.9-166.4166.500109.9Y132Y132-E156 WeakPolarHBondContact CD1-O 3.48Å; Y132-E156 WeakPolarHBondContact CE1-O 3.16Å
157R83Confident89.1Confident20 Ų2055.3 Ų55.38%0.07530%0.301CS..PPolyproline II helixtrans-85.4128.9169.9-160.3-172.5178.8172.21.7109.1Y132 D135 H190Y132-R157 HydrophobicContact CD1-CB 4.22Å; Y132-R157 HydrophobicContact CD1-CG 4.43Å; Y132-R157 HydrophobicContact CD2-CG 4.15Å; Y132-R157 HydrophobicContact CG-CB 4.08Å; Y132-R157 HydrophobicContact CG-CG 4.04Å; D135-R157 WeakPolarHBondContact OD1-CD 3.09Å; D135-R157 IonicContact OD1-NH1 2.96Å; D135-R157 IonicContact OD2-CZ 3.76Å; D135-R157 IonicContact OD2-NH1 3.36Å; D135-R157 PolarHBondContact OD2-NH1 3.19Å; R157-H190 PolarHBondContact NH2-CD2 2.97Å; R157-H190 PolarHBondContact NH2-NE2 3.45Å
158K81.2Confident88.6Confident177 Ų17757.7 Ų57.777%0.7731%0.313SS*.PPolyproline II helixtrans-57.4144.6167.8-70.1-177.4179.3177.40110.1S160K158-S160 PolarHBondContact O-N 2.97Å
159A83.4Confident88.2Confident75 Ų7562.2 Ų62.262%0.6234%0.337SS*.PPolyproline II helixtrans-50.8131.817200000110.6P188A159-P188 WeakPolarHBondContact O-CD 3.26Å
160S87.5Confident87.9Confident8 Ų864.8 Ų64.86%0.05636%0.358CS..  trans-143.5158-178.160.30000109.9K158 P188 N430K158-S160 PolarHBondContact O-N 2.97Å; S160-P188 WeakPolarHBondContact CA-O 3.43Å; S160-N430 PolarHBondContact O-ND2 2.77Å
161V90.3Very high87.6Confident43 Ų4369.1 Ų69.126%0.26138%0.378SS..EExtended strand (participates in β ladder)trans-114127.7178.3176.90000109.7V180 V184 I187 P188 V189 H190V161-V180 HydrophobicContact CB-CG1 4.48Å; V161-V180 HydrophobicContact CG1-CG1 3.81Å; V161-V184 HydrophobicContact CG2-CG1 4.03Å; V161-I187 HydrophobicContact CG2-CG2 4.1Å; V161-P188 PolarHBondContact N-O 3Å; V161-V189 WeakPolarHBondContact O-CA 3.48Å; V161-H190 PolarHBondContact O-N 2.81Å
162S89.2Confident87.5Confident65 Ų6570.1 Ų70.146%0.45539%0.387SS..EExtended strand (participates in β ladder)trans-102.4112179.663.60000111.9H190S162-H190 CarbonylContact C-O 3.59Å; S162-H190 WeakPolarHBondContact CA-O 3.47Å
163V91.2Very high87.5Confident15 Ų1569.3 Ų69.39%0.09138%0.382CS..EExtended strand (participates in β ladder)trans-77.2146.3166.3-177.60000108.6L173 I177 V180 V189 H190 V191 A192V163-L173 HydrophobicContact CG1-CD1 4.3Å; V163-I177 HydrophobicContact CG2-CG1 4.49Å; V163-V180 HydrophobicContact CG2-CB 4.31Å; V163-V180 HydrophobicContact CG2-CG1 4.36Å; V163-V180 HydrophobicContact CG2-CG2 4.11Å; V163-V189 HydrophobicContact CG2-CG1 3.81Å; V163-H190 PolarHBondContact N-O 3.22Å; V163-V191 CarbonylContact O-C 3.37Å; V163-V191 WeakPolarHBondContact O-CA 3.26Å; V163-A192 PolarHBondContact O-N 2.83Å
164R89.2Confident87.6Confident131 Ų13172.5 Ų72.549%0.49438%0.383SS..EExtended strand (participates in β ladder)trans-107.4129.4171.7-61.5-172.4-167165.39.9109.5A192 S434R164-A192 HydrophobicContact CG-CB 4.4Å; R164-S434 PolarHBondContact NH2-OG 3.37Å
165C85.3Confident87.6Confident4 Ų476.6 Ų76.63%0.02741%0.408CS..  trans-93.97.4-178.853.40000114.8N167 M168 L173 V191 E198C165-N167 PolarHBondContact O-N 3.47Å; C165-N167 VanDerWaalsContact O-N 3.12Å; C165-M168 PolarHBondContact O-N 3.48Å; C165-M168 VanDerWaalsContact O-N 3.07Å; C165-L173 HydrophobicContact CB-CD1 3.68Å; C165-L173 HydrophobicContact CB-CD2 3.81Å; C165-L173 HydrophobicContact CB-CG 4.37Å; C165-V191 HydrophobicContact CB-CG1 3.69Å; C165-E198 VanDerWaalsContact SG-CB 3.56Å
166Q81.8Confident87.7Confident108 Ų10875.3 Ų75.351%0.50540%0.4SS..THydrogen-bonded Turntrans-61.7114.5-171.7-70.2-177.5-22.400112.2M168Q166-M168 VanDerWaalsContact C-N 3.31Å
167N78.8Confident87.9Confident160 Ų16068.8 Ų68.886%0.85637%0.369SS*.THydrogen-bonded Turntrans62.828-176.1-38.6-74.4000114.7C165C165-N167 PolarHBondContact O-N 3.47Å; C165-N167 VanDerWaalsContact O-N 3.12Å
168M83.8Confident88.3Confident55 Ų5571.1 Ų71.127%0.27138%0.383SS..  trans-95.9145.1170.7-58.2-173.877.800110.9C165 Q166 S172 L173 A176C165-M168 PolarHBondContact O-N 3.48Å; C165-M168 VanDerWaalsContact O-N 3.07Å; Q166-M168 VanDerWaalsContact C-N 3.31Å; M168-S172 WeakPolarHBondContact CE-O 3.44Å; M168-L173 HydrophobicContact CB-CB 4.22Å; M168-L173 HydrophobicContact SD-CD1 4.21Å; M168-A176 HydrophobicContact CE-CB 3.89Å
169D87.4Confident88.9Confident94 Ų9466.9 Ų66.950%0.50337%0.366SS..  trans-80.3171.7163.956.644.8000111.6E171 S172 L173D169-E171 VanDerWaalsContact C-N 3.33Å; D169-E171 PolarHBondContact O-N 2.91Å; D169-E171 PolarHBondContact OD1-N 2.67Å; D169-S172 WeakPolarHBondContact OD1-CA 3.36Å; D169-S172 WeakPolarHBondContact OD1-CB 3.28Å; D169-S172 PolarHBondContact OD1-N 3.43Å; D169-S172 PolarHBondContact OD1-OG 3.46Å; D169-L173 WeakPolarHBondContact O-CB 3.38Å; D169-L173 PolarHBondContact O-N 3.49Å
170A87.6Confident89.4Confident54 Ų5464.8 Ų64.845%0.44635%0.345SS..Hα-helixtrans-61.8-37.9-176.500000113K174 L201A170-K174 VanDerWaalsContact O-CB 3.3Å; A170-K174 WeakPolarHBondContact O-CB 3.38Å; A170-K174 PolarHBondContact O-N 2.78Å; A170-L201 HydrophobicContact CB-CD2 3.9Å
171E88.8Confident89.6Confident158 Ų15868.5 Ų68.574%0.73836%0.358SS*.Hα-helixtrans-73.8-44.2-177.1-62-170.5169.300111.5D169 K174 T175D169-E171 VanDerWaalsContact C-N 3.33Å; D169-E171 PolarHBondContact O-N 2.91Å; D169-E171 PolarHBondContact OD1-N 2.67Å; E171-K174 PolarHBondContact O-N 3.44Å; E171-T175 WeakPolarHBondContact O-CB 3.21Å; E171-T175 PolarHBondContact O-N 3.19Å; E171-T175 PolarHBondContact O-OG1 3.28Å
172S91.4Very high89.8Confident52 Ų5271 Ų7136%0.36438%0.378SS..Hα-helixtrans-65-42174.8-58.30000111.6M168 D169 T175 A176M168-S172 WeakPolarHBondContact CE-O 3.44Å; D169-S172 WeakPolarHBondContact OD1-CA 3.36Å; D169-S172 WeakPolarHBondContact OD1-CB 3.28Å; D169-S172 PolarHBondContact OD1-N 3.43Å; D169-S172 PolarHBondContact OD1-OG 3.46Å; S172-T175 PolarHBondContact O-N 2.87Å; S172-A176 WeakPolarHBondContact O-CB 3.32Å; S172-A176 PolarHBondContact O-N 3.48Å
173L92.8Very high90.1Very high0 Ų076.1 Ų76.10%039%0.387CS..Hα-helixtrans-62.8-47.6177.3178.157.6000110.8V163 C165 M168 D169 A176 I177 V191 L201V163-L173 HydrophobicContact CG1-CD1 4.3Å; C165-L173 HydrophobicContact CB-CD1 3.68Å; C165-L173 HydrophobicContact CB-CD2 3.81Å; C165-L173 HydrophobicContact CB-CG 4.37Å; M168-L173 HydrophobicContact CB-CB 4.22Å; M168-L173 HydrophobicContact SD-CD1 4.21Å; D169-L173 WeakPolarHBondContact O-CB 3.38Å; D169-L173 PolarHBondContact O-N 3.49Å; L173-A176 PolarHBondContact O-N 3.44Å; L173-I177 HydrophobicContact CD1-CD1 3.87Å; L173-I177 HydrophobicContact CD1-CG1 4.25Å; L173-I177 HydrophobicContact CG-CD1 3.8Å; L173-I177 WeakPolarHBondContact O-CD1 3.28Å; L173-I177 VanDerWaalsContact O-CG1 3.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.38Å; L173-I177 PolarHBondContact O-N 3.02Å; L173-V191 HydrophobicContact CD1-CG1 4.16Å; L173-L201 HydrophobicContact CD2-CB 3.97Å
174K92.8Very high90.1Very high113 Ų11377 Ų7749%0.49139%0.392SS..Hα-helixtrans-60-46.9175.5-176.6177.9178-178.40111.6A170 E171 A176 I177 D178 A205A170-K174 VanDerWaalsContact O-CB 3.3Å; A170-K174 WeakPolarHBondContact O-CB 3.38Å; A170-K174 PolarHBondContact O-N 2.78Å; E171-K174 PolarHBondContact O-N 3.44Å; K174-A176 VanDerWaalsContact C-N 3.32Å; K174-A176 PolarHBondContact O-N 2.96Å; K174-I177 PolarHBondContact O-N 3.26Å; K174-D178 PolarHBondContact O-N 3.11Å; K174-A205 HydrophobicContact CB-CB 4.27Å
175T93.4Very high90.1Very high91 Ų9173.7 Ų73.756%0.55840%0.399SS*.Hα-helixtrans-58.7-42.9178.3-57.50000111.7E171 S172 D178 E179E171-T175 WeakPolarHBondContact O-CB 3.21Å; E171-T175 PolarHBondContact O-N 3.19Å; E171-T175 PolarHBondContact O-OG1 3.28Å; S172-T175 PolarHBondContact O-N 2.87Å; T175-D178 PolarHBondContact O-N 3.45Å; T175-E179 WeakPolarHBondContact O-CB 3.34Å; T175-E179 PolarHBondContact O-N 3.37Å
176A93.3Very high90.2Very high21 Ų2179.5 Ų79.517%0.17444%0.44CS..Hα-helixtrans-68.8-37176.900000113M168 S172 L173 K174 V180M168-A176 HydrophobicContact CE-CB 3.89Å; S172-A176 WeakPolarHBondContact O-CB 3.32Å; S172-A176 PolarHBondContact O-N 3.48Å; L173-A176 PolarHBondContact O-N 3.44Å; K174-A176 VanDerWaalsContact C-N 3.32Å; K174-A176 PolarHBondContact O-N 2.96Å; A176-V180 WeakPolarHBondContact O-CB 3.17Å; A176-V180 VanDerWaalsContact O-CG2 3.26Å; A176-V180 WeakPolarHBondContact O-CG2 3.33Å; A176-V180 PolarHBondContact O-N 2.95Å
177I93.1Very high90.7Very high0 Ų077.8 Ų77.80%043%0.433CS..Hα-helixtrans-62.9-46.8173.5-71.1161.1000110.3V163 L173 K174 V180 R181 V191 A205 A207V163-I177 HydrophobicContact CG2-CG1 4.49Å; L173-I177 HydrophobicContact CD1-CD1 3.87Å; L173-I177 HydrophobicContact CD1-CG1 4.25Å; L173-I177 HydrophobicContact CG-CD1 3.8Å; L173-I177 WeakPolarHBondContact O-CD1 3.28Å; L173-I177 VanDerWaalsContact O-CG1 3.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.38Å; L173-I177 PolarHBondContact O-N 3.02Å; K174-I177 PolarHBondContact O-N 3.26Å; I177-V180 PolarHBondContact O-N 3.24Å; I177-R181 HydrophobicContact CG2-CG 4.41Å; I177-R181 VanDerWaalsContact CG2-CZ 3.41Å; I177-R181 WeakPolarHBondContact O-CB 3.06Å; I177-R181 VanDerWaalsContact O-CG 3.25Å; I177-R181 WeakPolarHBondContact O-CG 3.27Å; I177-R181 PolarHBondContact O-N 2.66Å; I177-V191 HydrophobicContact CD1-CG2 3.69Å; I177-V191 HydrophobicContact CG1-CG2 4.12Å; I177-A205 HydrophobicContact CD1-CB 3.75Å; I177-A207 HydrophobicContact CD1-CB 3.9Å; I177-A207 HydrophobicContact CG2-CB 4.22Å
178D92.6Very high91.3Very high69 Ų6972.6 Ų72.637%0.36941%0.409SS..Hα-helixtrans-71.4-36.2-178.2-68.2-22.3000111.8K174 T175 R181 S182K174-D178 PolarHBondContact O-N 3.11Å; T175-D178 PolarHBondContact O-N 3.45Å; D178-R181 PolarHBondContact O-N 2.72Å; D178-R181 IonicContact OD1-NH1 3.14Å; D178-R181 PolarHBondContact OD1-NH1 3.23Å; D178-S182 WeakPolarHBondContact O-CB 3.4Å; D178-S182 PolarHBondContact O-N 2.99Å
179E93.6Very high91.7Very high89 Ų8970.4 Ų70.442%0.41640%0.398SS..Hα-helixtrans-60.1-47.4169.6-176-176.3-176.400111.2T175 S182 R183T175-E179 WeakPolarHBondContact O-CB 3.34Å; T175-E179 PolarHBondContact O-N 3.37Å; E179-S182 PolarHBondContact O-N 3.11Å; E179-S182 PolarHBondContact O-OG 3.34Å; E179-R183 WeakPolarHBondContact O-CG 3.17Å; E179-R183 PolarHBondContact O-N 3.12Å; E179-R183 IonicContact OE1-CZ 3.66Å; E179-R183 IonicContact OE1-NE 2.73Å; E179-R183 IonicContact OE1-NH1 2.82Å; E179-R183 PolarHBondContact OE1-NH1 3.04Å; E179-R183 IonicContact OE1-NH2 3.41Å; E179-R183 PolarHBondContact OE1-NH2 3.35Å
180V93.5Very high92Very high30 Ų3066.4 Ų66.418%0.18238%0.377CS..Hα-helixtrans-64.3-47178169.50000110.9V161 V163 A176 I177 S182 R183 V184 V189V161-V180 HydrophobicContact CB-CG1 4.48Å; V161-V180 HydrophobicContact CG1-CG1 3.81Å; V163-V180 HydrophobicContact CG2-CB 4.31Å; V163-V180 HydrophobicContact CG2-CG1 4.36Å; V163-V180 HydrophobicContact CG2-CG2 4.11Å; A176-V180 WeakPolarHBondContact O-CB 3.17Å; A176-V180 VanDerWaalsContact O-CG2 3.26Å; A176-V180 WeakPolarHBondContact O-CG2 3.33Å; A176-V180 PolarHBondContact O-N 2.95Å; I177-V180 PolarHBondContact O-N 3.24Å; V180-S182 VanDerWaalsContact C-N 3.28Å; V180-S182 PolarHBondContact O-N 2.83Å; V180-R183 PolarHBondContact O-N 3.05Å; V180-V184 HydrophobicContact CG1-CG1 3.97Å; V180-V184 HydrophobicContact CG1-CG2 4.45Å; V180-V184 WeakPolarHBondContact O-CG1 3.15Å; V180-V184 WeakPolarHBondContact O-CG2 3.32Å; V180-V184 PolarHBondContact O-N 3.12Å; V180-V189 HydrophobicContact CG1-CG1 4.01Å; V180-V189 HydrophobicContact CG1-CG2 3.9Å
181R93Very high92.3Very high87 Ų8763.9 Ų63.933%0.32836%0.355SS..Hα-helixtrans-52.8-45.3174.7-77.1170170.2163.8-5.2111.8I177 D178 R183 V184 G185 V189 G206I177-R181 HydrophobicContact CG2-CG 4.41Å; I177-R181 VanDerWaalsContact CG2-CZ 3.41Å; I177-R181 WeakPolarHBondContact O-CB 3.06Å; I177-R181 VanDerWaalsContact O-CG 3.25Å; I177-R181 WeakPolarHBondContact O-CG 3.27Å; I177-R181 PolarHBondContact O-N 2.66Å; D178-R181 PolarHBondContact O-N 2.72Å; D178-R181 IonicContact OD1-NH1 3.14Å; D178-R181 PolarHBondContact OD1-NH1 3.23Å; R181-R183 PolarHBondContact O-N 3.22Å; R181-R183 VanDerWaalsContact O-N 3.16Å; R181-V184 PolarHBondContact O-N 3.08Å; R181-G185 PolarHBondContact O-N 3.06Å; R181-V189 HydrophobicContact CG-CB 4.36Å; R181-V189 HydrophobicContact CG-CG2 3.96Å; R181-G206 PolarHBondContact NH2-O 3.47Å
182S93.7Very high92.5Very high95 Ų9557 Ų5766%0.66433%0.325SS*.Hα-helixtrans-60.9-24.2178.680.90000114.1D178 E179 V180D178-S182 WeakPolarHBondContact O-CB 3.4Å; D178-S182 PolarHBondContact O-N 2.99Å; E179-S182 PolarHBondContact O-N 3.11Å; E179-S182 PolarHBondContact O-OG 3.34Å; V180-S182 VanDerWaalsContact C-N 3.28Å; V180-S182 PolarHBondContact O-N 2.83Å
183R94.8Very high92.7Very high172 Ų17254.5 Ų54.565%0.64931%0.308SS*.Hα-helixtrans-97.9-30.9-177.4-68.4176.9176.7177.25.6114.1E179 V180 R181E179-R183 WeakPolarHBondContact O-CG 3.17Å; E179-R183 PolarHBondContact O-N 3.12Å; E179-R183 IonicContact OE1-CZ 3.66Å; E179-R183 IonicContact OE1-NE 2.73Å; E179-R183 IonicContact OE1-NH1 2.82Å; E179-R183 PolarHBondContact OE1-NH1 3.04Å; E179-R183 IonicContact OE1-NH2 3.41Å; E179-R183 PolarHBondContact OE1-NH2 3.35Å; V180-R183 PolarHBondContact O-N 3.05Å; R181-R183 PolarHBondContact O-N 3.22Å; R181-R183 VanDerWaalsContact O-N 3.16Å
184V91.6Very high92.6Very high33 Ų3356.1 Ų56.120%0.232%0.319CS..Hα-helixtrans-96.6-13.1-174.2-52.20000113.7V161 V180 R181 S186 I187 V189V161-V184 HydrophobicContact CG2-CG1 4.03Å; V180-V184 HydrophobicContact CG1-CG1 3.97Å; V180-V184 HydrophobicContact CG1-CG2 4.45Å; V180-V184 WeakPolarHBondContact O-CG1 3.15Å; V180-V184 WeakPolarHBondContact O-CG2 3.32Å; V180-V184 PolarHBondContact O-N 3.12Å; R181-V184 PolarHBondContact O-N 3.08Å; V184-S186 PolarHBondContact O-N 2.88Å; V184-I187 HydrophobicContact CB-CB 4.09Å; V184-I187 HydrophobicContact CB-CD1 4.45Å; V184-I187 HydrophobicContact CG2-CB 4.15Å; V184-I187 WeakPolarHBondContact CG2-O 3.26Å; V184-I187 PolarHBondContact O-N 3.34Å; V184-V189 HydrophobicContact CG2-CG2 3.62Å
185G88.5Confident92.6Very high62 Ų6256 Ų5664%0.63932%0.316SS*.THydrogen-bonded Turntrans66.3-114.4176.800000112.5R181R181-G185 PolarHBondContact O-N 3.06Å
186S89.2Confident92.7Very high126 Ų12654.3 Ų54.388%0.88130%0.303SS*.THydrogen-bonded Turntrans-87.42.3-175.855.10000115V184V184-S186 PolarHBondContact O-N 2.88Å
187I91.3Very high92.6Very high72 Ų7256.8 Ų56.837%0.36931%0.313SS..SBendtrans-76.3129177.1-59.8173.7000109.2V161 V184 V189V161-I187 HydrophobicContact CG2-CG2 4.1Å; V184-I187 HydrophobicContact CB-CB 4.09Å; V184-I187 HydrophobicContact CB-CD1 4.45Å; V184-I187 HydrophobicContact CG2-CB 4.15Å; V184-I187 WeakPolarHBondContact CG2-O 3.26Å; V184-I187 PolarHBondContact O-N 3.34Å; I187-V189 PolarHBondContact O-N 3.46Å
188P90.5Very high92.7Very high52 Ų5257.1 Ų57.134%0.33832%0.315SS..  trans-62.4135.7179.723.9-33.2000112.1A159 S160 V161A159-P188 WeakPolarHBondContact O-CD 3.26Å; S160-P188 WeakPolarHBondContact CA-O 3.43Å; V161-P188 PolarHBondContact N-O 3Å
189V92.5Very high92.7Very high9 Ų953.8 Ų53.86%0.05530%0.297CS..EExtended strand (participates in β ladder)trans-110.2115.9179.3-178.20000108.7V161 V163 V180 R181 V184 I187V161-V189 WeakPolarHBondContact O-CA 3.48Å; V163-V189 HydrophobicContact CG2-CG1 3.81Å; V180-V189 HydrophobicContact CG1-CG1 4.01Å; V180-V189 HydrophobicContact CG1-CG2 3.9Å; R181-V189 HydrophobicContact CG-CB 4.36Å; R181-V189 HydrophobicContact CG-CG2 3.96Å; V184-V189 HydrophobicContact CG2-CG2 3.62Å; I187-V189 PolarHBondContact O-N 3.46Å
190H93.6Very high92.7Very high10 Ų1051.7 Ų51.75%0.04629%0.292CS..EExtended strand (participates in β ladder)trans-107.9154.7175.9-50.8-62.3000110.5R157 V161 S162 V163 D208 L210 I236R157-H190 PolarHBondContact NH2-CD2 2.97Å; R157-H190 PolarHBondContact NH2-NE2 3.45Å; V161-H190 PolarHBondContact O-N 2.81Å; S162-H190 CarbonylContact C-O 3.59Å; S162-H190 WeakPolarHBondContact CA-O 3.47Å; V163-H190 PolarHBondContact N-O 3.22Å; H190-D208 CarbonylContact C-O 3.48Å; H190-D208 VanDerWaalsContact CA-O 3.23Å; H190-D208 WeakPolarHBondContact CA-O 3.2Å; H190-D208 WeakPolarHBondContact ND1-CB 3.37Å; H190-L210 HydrophobicContact CB-CB 4.08Å; H190-I236 WeakPolarHBondContact CE1-CD1 3.31Å
191V94.7Very high92.7Very high0 Ų053.2 Ų53.20%030%0.299CS..EExtended strand (participates in β ladder)trans-101.6119.7169.8-170.80000109.3V163 C165 L173 I177 C193 A202 A207 D208 L210V163-V191 CarbonylContact O-C 3.37Å; V163-V191 WeakPolarHBondContact O-CA 3.26Å; C165-V191 HydrophobicContact CB-CG1 3.69Å; L173-V191 HydrophobicContact CD1-CG1 4.16Å; I177-V191 HydrophobicContact CD1-CG2 3.69Å; I177-V191 HydrophobicContact CG1-CG2 4.12Å; V191-C193 PolarHBondContact O-N 3.37Å; V191-C193 PolarHBondContact O-SG 3.48Å; V191-A202 HydrophobicContact CB-CB 3.65Å; V191-A202 HydrophobicContact CG1-CB 3.88Å; V191-A202 HydrophobicContact CG2-CB 3.8Å; V191-A207 HydrophobicContact CG2-CB 3.78Å; V191-D208 PolarHBondContact N-O 2.9Å; V191-L210 PolarHBondContact O-N 2.97Å
192A93.9Very high92.8Very high13 Ų1349.1 Ų49.111%0.10728%0.283CS..EExtended strand (participates in β ladder)trans-75.3101.4173.500000109.8V163 R164 L210 T212V163-A192 PolarHBondContact O-N 2.83Å; R164-A192 HydrophobicContact CG-CB 4.4Å; A192-L210 WeakPolarHBondContact CA-O 3.39Å; A192-T212 HydrophobicContact CB-CG2 4.4Å
193C93.9Very high92.8Very high0 Ų044.8 Ų44.80%025%0.253CS..EExtended strand (participates in β ladder)trans-102.6150.1-179.7-56.10000110.3V191 E198 A199 I209 L210 L211 T212V191-C193 PolarHBondContact O-N 3.37Å; V191-C193 PolarHBondContact O-SG 3.48Å; C193-E198 HydrophobicContact CB-CB 4.04Å; C193-E198 PolarHBondContact SG-O 3.2Å; C193-A199 HydrophobicContact CB-CB 4.25Å; C193-I209 HydrophobicContact CB-CG2 4.31Å; C193-L210 PolarHBondContact N-O 2.91Å; C193-L211 HydrophobicContact CB-CD2 4.37Å; C193-T212 PolarHBondContact O-N 3.05Å; C193-T212 PolarHBondContact O-OG1 3.08Å; C193-T212 VanDerWaalsContact O-OG1 3.09Å
194S92.2Very high92.6Very high34 Ų3439.3 Ų39.324%0.23825%0.25CS..SBendtrans-129.2-1.5178.557.30000113.5E198S194-E198 WeakPolarHBondContact CA-OE2 3.5Å; S194-E198 PolarHBondContact N-OE2 2.85Å; S194-E198 PolarHBondContact OG-OE2 2.65Å
195R92.9Very high92.6Very high112 Ų11238.5 Ų38.542%0.42325%0.247SC..SBendtrans-150.7165.1-176-59.4-176.7-62.1114.413.4110.2D197 E198 A199R195-D197 WeakPolarHBondContact CB-OD1 3.21Å; R195-D197 IonicContact CZ-OD1 3.22Å; R195-D197 IonicContact CZ-OD2 2.82Å; R195-D197 IonicContact NE-OD1 2.85Å; R195-D197 IonicContact NH1-OD1 3.87Å; R195-D197 PolarHBondContact NH1-OD1 3.45Å; R195-D197 IonicContact NH1-OD2 3.83Å; R195-D197 PolarHBondContact NH1-OD2 3.42Å; R195-D197 IonicContact NH2-OD1 2.77Å; R195-D197 PolarHBondContact NH2-OD1 2.85Å; R195-D197 IonicContact NH2-OD2 2.78Å; R195-D197 PolarHBondContact NH2-OD2 2.8Å; R195-E198 HydrophobicContact CB-CG 4.47Å; R195-E198 IonicContact CZ-OE1 3.84Å; R195-E198 VanDerWaalsContact CZ-OE1 3.22Å; R195-E198 PolarHBondContact N-OE2 3.22Å; R195-E198 IonicContact NE-OE1 3.08Å; R195-E198 PolarHBondContact NE-OE1 2.82Å; R195-E198 IonicContact NH2-OE1 2.66Å; R195-E198 PolarHBondContact NH2-OE1 2.86Å; R195-A199 PolarHBondContact O-N 3.37Å
196L93.9Very high92.7Very high55 Ų5537.4 Ų37.429%0.28824%0.236SC..Hα-helixtrans-66.1-43.9-178.4179.262.9000112.9E198 A199 C200 I222 Q225 V226L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 3.32Å; L196-A199 WeakPolarHBondContact O-CB 3.47Å; L196-A199 PolarHBondContact O-N 3.42Å; L196-A199 VanDerWaalsContact O-N 3.11Å; L196-C200 PolarHBondContact O-N 3.29Å; L196-C200 PolarHBondContact O-SG 3.16Å; L196-C200 VanDerWaalsContact O-SG 3.38Å; L196-I222 HydrophobicContact CB-CG1 4.21Å; L196-I222 HydrophobicContact CD1-CB 4.5Å; L196-I222 HydrophobicContact CD1-CG1 4.44Å; L196-I222 HydrophobicContact CD1-CG2 4.08Å; L196-Q225 HydrophobicContact CD1-CB 3.93Å; L196-Q225 VanDerWaalsContact CD2-OE1 3.31Å; L196-V226 HydrophobicContact CD1-CG2 4.45Å
197D92.8Very high92.9Very high72 Ų7231.5 Ų31.539%0.38519%0.194SC..Hα-helixtrans-60.5-43.9178.660.8-38.7000111.6R195 A199 C200 L201R195-D197 WeakPolarHBondContact CB-OD1 3.21Å; R195-D197 IonicContact CZ-OD1 3.22Å; R195-D197 IonicContact CZ-OD2 2.82Å; R195-D197 IonicContact NE-OD1 2.85Å; R195-D197 IonicContact NH1-OD1 3.87Å; R195-D197 PolarHBondContact NH1-OD1 3.45Å; R195-D197 IonicContact NH1-OD2 3.83Å; R195-D197 PolarHBondContact NH1-OD2 3.42Å; R195-D197 IonicContact NH2-OD1 2.77Å; R195-D197 PolarHBondContact NH2-OD1 2.85Å; R195-D197 IonicContact NH2-OD2 2.78Å; R195-D197 PolarHBondContact NH2-OD2 2.8Å; D197-A199 VanDerWaalsContact C-N 3.31Å; D197-A199 PolarHBondContact O-N 3.4Å; D197-C200 PolarHBondContact O-N 3.22Å; D197-L201 WeakPolarHBondContact O-CB 3.37Å; D197-L201 VanDerWaalsContact O-CG 3.26Å; D197-L201 WeakPolarHBondContact O-CG 3.33Å; D197-L201 PolarHBondContact O-N 3.19Å
198E93.5Very high93Very high7 Ų730 Ų303%0.03319%0.188CC..Hα-helixtrans-57.2-41.9172.1-78.3169.1-160.200112.6C165 C193 S194 R195 L196 A202C165-E198 VanDerWaalsContact SG-CB 3.56Å; C193-E198 HydrophobicContact CB-CB 4.04Å; C193-E198 PolarHBondContact SG-O 3.2Å; S194-E198 WeakPolarHBondContact CA-OE2 3.5Å; S194-E198 PolarHBondContact N-OE2 2.85Å; S194-E198 PolarHBondContact OG-OE2 2.65Å; R195-E198 HydrophobicContact CB-CG 4.47Å; R195-E198 IonicContact CZ-OE1 3.84Å; R195-E198 VanDerWaalsContact CZ-OE1 3.22Å; R195-E198 PolarHBondContact N-OE2 3.22Å; R195-E198 IonicContact NE-OE1 3.08Å; R195-E198 PolarHBondContact NE-OE1 2.82Å; R195-E198 IonicContact NH2-OE1 2.66Å; R195-E198 PolarHBondContact NH2-OE1 2.86Å; L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 3.32Å; E198-A202 WeakPolarHBondContact O-CB 3.38Å; E198-A202 PolarHBondContact O-N 3.02Å; E198-A202 VanDerWaalsContact O-N 3.1Å
199A94Very high93.2Very high0 Ų027.6 Ų27.60%017%0.171CC..Hα-helixtrans-71.2-42.9179.200000112.2C193 R195 L196 D197 L201 A202 A203 I209 L211 I222 V226C193-A199 HydrophobicContact CB-CB 4.25Å; R195-A199 PolarHBondContact O-N 3.37Å; L196-A199 WeakPolarHBondContact O-CB 3.47Å; L196-A199 PolarHBondContact O-N 3.42Å; L196-A199 VanDerWaalsContact O-N 3.11Å; D197-A199 VanDerWaalsContact C-N 3.31Å; D197-A199 PolarHBondContact O-N 3.4Å; A199-L201 VanDerWaalsContact C-N 3.35Å; A199-L201 PolarHBondContact O-N 3.2Å; A199-A202 PolarHBondContact O-N 2.95Å; A199-A203 PolarHBondContact O-N 3.41Å; A199-I209 HydrophobicContact CB-CD1 4.13Å; A199-I209 HydrophobicContact CB-CG2 4.28Å; A199-I209 WeakPolarHBondContact O-CD1 3.49Å; A199-L211 HydrophobicContact CB-CD2 4.41Å; A199-I222 HydrophobicContact CB-CG2 4.02Å; A199-V226 HydrophobicContact CB-CG2 3.71Å
200C93.4Very high93.3Very high45 Ų4527.8 Ų27.830%0.30417%0.172SC..Hα-helixtrans-63.9-37.9176-67.40000112.4L196 D197 G204L196-C200 PolarHBondContact O-N 3.29Å; L196-C200 PolarHBondContact O-SG 3.16Å; L196-C200 VanDerWaalsContact O-SG 3.38Å; D197-C200 PolarHBondContact O-N 3.22Å; C200-G204 PolarHBondContact O-N 2.85Å
201L92.9Very high93.4Very high62 Ų6227.3 Ų27.333%0.32517%0.17SC..Hα-helixtrans-64.6-41.7173.1-72.5168.2000112.1A170 L173 D197 A199 G204 A205A170-L201 HydrophobicContact CB-CD2 3.9Å; L173-L201 HydrophobicContact CD2-CB 3.97Å; D197-L201 WeakPolarHBondContact O-CB 3.37Å; D197-L201 VanDerWaalsContact O-CG 3.26Å; D197-L201 WeakPolarHBondContact O-CG 3.33Å; D197-L201 PolarHBondContact O-N 3.19Å; A199-L201 VanDerWaalsContact C-N 3.35Å; A199-L201 PolarHBondContact O-N 3.2Å; L201-G204 PolarHBondContact O-N 3.22Å; L201-A205 PolarHBondContact O-N 2.9Å
202A94.1Very high93.2Very high0 Ų029.4 Ų29.40%018%0.183CC..Hα-helixtrans-64.3-44.4176.700000112.9V191 E198 A199 A205 G206 A207 I209V191-A202 HydrophobicContact CB-CB 3.65Å; V191-A202 HydrophobicContact CG1-CB 3.88Å; V191-A202 HydrophobicContact CG2-CB 3.8Å; E198-A202 WeakPolarHBondContact O-CB 3.38Å; E198-A202 PolarHBondContact O-N 3.02Å; E198-A202 VanDerWaalsContact O-N 3.1Å; A199-A202 PolarHBondContact O-N 2.95Å; A202-A205 PolarHBondContact O-N 3.01Å; A202-G206 PolarHBondContact O-N 3.26Å; A202-A207 PolarHBondContact O-N 2.8Å; A202-A207 VanDerWaalsContact O-N 3.14Å; A202-I209 HydrophobicContact CB-CG1 3.97Å
203A94Very high92.9Very high4 Ų432.3 Ų32.33%0.03321%0.214CC..Hα-helixtrans-64.5-40.8175.100000112.2A199 A205 G206 I209 F230 I233A199-A203 PolarHBondContact O-N 3.41Å; A203-A205 VanDerWaalsContact C-N 3.26Å; A203-A205 PolarHBondContact O-N 2.62Å; A203-G206 WeakPolarHBondContact O-CA 3.44Å; A203-G206 PolarHBondContact O-N 2.86Å; A203-I209 HydrophobicContact CB-CD1 4Å; A203-F230 HydrophobicContact CB-CB 3.94Å; A203-F230 HydrophobicContact CB-CD1 4.12Å; A203-F230 HydrophobicContact CB-CD2 3.33Å; A203-F230 HydrophobicContact CB-CE1 4.45Å; A203-F230 HydrophobicContact CB-CE2 3.74Å; A203-F230 HydrophobicContact CB-CG 3.55Å; A203-F230 HydrophobicContact CB-CZ 4.29Å; A203-I233 HydrophobicContact CB-CG1 4.08Å; A203-I233 HydrophobicContact CB-CG2 4.42Å
204G92.2Very high92.8Very high57 Ų5733.4 Ų33.459%0.58822%0.22SC*.Hα-helixtrans-63.7-27.4174.100000114C200 L201 G206C200-G204 PolarHBondContact O-N 2.85Å; L201-G204 PolarHBondContact O-N 3.22Å; G204-G206 VanDerWaalsContact C-N 3.25Å
205A91.7Very high92.7Very high16 Ų1634.5 Ų34.513%0.13223%0.228CC..THydrogen-bonded Turntrans-81.40.4169.800000113.6K174 I177 L201 A202 A203K174-A205 HydrophobicContact CB-CB 4.27Å; I177-A205 HydrophobicContact CD1-CB 3.75Å; L201-A205 PolarHBondContact O-N 2.9Å; A202-A205 PolarHBondContact O-N 3.01Å; A203-A205 VanDerWaalsContact C-N 3.26Å; A203-A205 PolarHBondContact O-N 2.62Å
206G90.3Very high92.5Very high40 Ų4029.9 Ų29.941%0.41221%0.213SC..THydrogen-bonded Turntrans67.541.5179.200000113.2R181 A202 A203 G204R181-G206 PolarHBondContact NH2-O 3.47Å; A202-G206 PolarHBondContact O-N 3.26Å; A203-G206 WeakPolarHBondContact O-CA 3.44Å; A203-G206 PolarHBondContact O-N 2.86Å; G204-G206 VanDerWaalsContact C-N 3.25Å
207A92Very high92.4Very high1 Ų133.8 Ų33.81%0.00823%0.228CC..  trans-126.5145.3178.300000112.5I177 V191 A202 I233I177-A207 HydrophobicContact CD1-CB 3.9Å; I177-A207 HydrophobicContact CG2-CB 4.22Å; V191-A207 HydrophobicContact CG2-CB 3.78Å; A202-A207 PolarHBondContact O-N 2.8Å; A202-A207 VanDerWaalsContact O-N 3.14Å; A207-I233 WeakPolarHBondContact O-CG2 3.2Å
208D94.3Very high92.4Very high42 Ų4234.7 Ų34.723%0.22523%0.23CC..EExtended strand (participates in β ladder)trans-65.9140.8-179.6-63.1-47.8000111.9H190 V191 Q234H190-D208 CarbonylContact C-O 3.48Å; H190-D208 VanDerWaalsContact CA-O 3.23Å; H190-D208 WeakPolarHBondContact CA-O 3.2Å; H190-D208 WeakPolarHBondContact ND1-CB 3.37Å; V191-D208 PolarHBondContact N-O 2.9Å; D208-Q234 HydrophobicContact CB-CB 4.19Å; D208-Q234 VanDerWaalsContact OD1-CB 3.3Å; D208-Q234 WeakPolarHBondContact OD1-CB 3.37Å; D208-Q234 PolarHBondContact OD1-N 3.42Å
209I95Very high92.4Very high0 Ų034.4 Ų34.40%023%0.229CC..EExtended strand (participates in β ladder)trans-97.4127.5-171.8-69.1158.7000110.3C193 A199 A202 A203 L211 V226 I233 Q234 I236C193-I209 HydrophobicContact CB-CG2 4.31Å; A199-I209 HydrophobicContact CB-CD1 4.13Å; A199-I209 HydrophobicContact CB-CG2 4.28Å; A199-I209 WeakPolarHBondContact O-CD1 3.49Å; A202-I209 HydrophobicContact CB-CG1 3.97Å; A203-I209 HydrophobicContact CB-CD1 4Å; I209-L211 HydrophobicContact CG2-CD2 3.57Å; I209-L211 HydrophobicContact CG2-CG 3.91Å; I209-V226 HydrophobicContact CD1-CG1 3.45Å; I209-V226 VanDerWaalsContact CD1-CG1 3.45Å; I209-V226 HydrophobicContact CD1-CG2 4.23Å; I209-I233 HydrophobicContact CD1-CG2 3.95Å; I209-I233 HydrophobicContact CG1-CG2 4.19Å; I209-Q234 PolarHBondContact N-O 3.4Å; I209-I236 PolarHBondContact O-N 2.93Å
210L94.7Very high92.4Very high13 Ų1336.6 Ų36.67%0.06824%0.24CC..EExtended strand (participates in β ladder)trans-106.698.2167.8-178.863.7000108.3H190 V191 A192 C193 T212 I236H190-L210 HydrophobicContact CB-CB 4.08Å; V191-L210 PolarHBondContact O-N 2.97Å; A192-L210 WeakPolarHBondContact CA-O 3.39Å; C193-L210 PolarHBondContact N-O 2.91Å; L210-T212 HydrophobicContact CD2-CG2 4.27Å; L210-T212 HydrophobicContact CG-CG2 3.87Å; L210-T212 PolarHBondContact O-N 3.39Å; L210-I236 CarbonylContact C-O 3.53Å; L210-I236 WeakPolarHBondContact CA-O 3.47Å; L210-I236 HydrophobicContact CD1-CB 3.91Å; L210-I236 HydrophobicContact CD1-CG2 3.65Å
211L94.6Very high92.5Very high1 Ų137.6 Ų37.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-70.3128.3174.4-62.2179.9000109.1C193 A199 I209 L214 I219 I222 A223 V235 I236 S238C193-L211 HydrophobicContact CB-CD2 4.37Å; A199-L211 HydrophobicContact CB-CD2 4.41Å; I209-L211 HydrophobicContact CG2-CD2 3.57Å; I209-L211 HydrophobicContact CG2-CG 3.91Å; L211-L214 HydrophobicContact CB-CD1 4.14Å; L211-L214 HydrophobicContact CD2-CD1 4.29Å; L211-I219 HydrophobicContact CD1-CG2 4.38Å; L211-I222 HydrophobicContact CD1-CB 4.49Å; L211-I222 HydrophobicContact CD1-CG2 4.27Å; L211-I222 HydrophobicContact CD2-CG2 3.73Å; L211-A223 HydrophobicContact CD1-CB 4.4Å; L211-V235 HydrophobicContact CD1-CG1 3.91Å; L211-V235 HydrophobicContact CG-CG1 4.29Å; L211-I236 PolarHBondContact N-O 2.87Å; L211-S238 WeakPolarHBondContact O-CA 3.39Å; L211-S238 WeakPolarHBondContact O-CB 3.36Å; L211-S238 PolarHBondContact O-N 3.06Å
212T92Very high92.6Very high44 Ų4435.3 Ų35.327%0.2723%0.231SC..EExtended strand (participates in β ladder)trans-135.5141.6-175.462.30000112.8A192 C193 L210 L214A192-T212 HydrophobicContact CB-CG2 4.4Å; C193-T212 PolarHBondContact O-N 3.05Å; C193-T212 PolarHBondContact O-OG1 3.08Å; C193-T212 VanDerWaalsContact O-OG1 3.09Å; L210-T212 HydrophobicContact CD2-CG2 4.27Å; L210-T212 HydrophobicContact CG-CG2 3.87Å; L210-T212 PolarHBondContact O-N 3.39Å; T212-L214 VanDerWaalsContact C-N 3.25Å; T212-L214 PolarHBondContact O-N 3.29Å
213G87.1Confident92.6Very high74 Ų7435.3 Ų35.376%0.76323%0.231SC*.SBendtrans759.4171.500000115.7
214L90.4Very high92.7Very high22 Ų2236.5 Ų36.512%0.11524%0.237CC..  trans-98.2154.3-177-70156.7000111.6L211 T212 E218 I219 I222L211-L214 HydrophobicContact CB-CD1 4.14Å; L211-L214 HydrophobicContact CD2-CD1 4.29Å; T212-L214 VanDerWaalsContact C-N 3.25Å; T212-L214 PolarHBondContact O-N 3.29Å; L214-E218 HydrophobicContact CB-CB 4.19Å; L214-E218 HydrophobicContact CD2-CB 3.73Å; L214-E218 HydrophobicContact CD2-CG 4.42Å; L214-I219 HydrophobicContact CB-CD1 4.48Å; L214-I219 HydrophobicContact CB-CG1 3.85Å; L214-I222 HydrophobicContact CD1-CD1 3.82Å; L214-I222 HydrophobicContact CD2-CD1 4.02Å
215S90.5Very high92.9Very high58 Ų5837.9 Ų37.941%0.40623%0.228SC..  trans-74.7164170.169.70000112.1K217 E218 I219S215-K217 PolarHBondContact O-N 2.79Å; S215-E218 WeakPolarHBondContact CB-OE2 3.32Å; S215-E218 PolarHBondContact N-OE2 2.92Å; S215-E218 PolarHBondContact O-N 3.03Å; S215-E218 WeakPolarHBondContact OG-CG 3.4Å; S215-E218 PolarHBondContact OG-N 3.28Å; S215-E218 PolarHBondContact OG-OE2 3.47Å; S215-I219 WeakPolarHBondContact O-CB 3.19Å; S215-I219 VanDerWaalsContact O-CG1 3.29Å; S215-I219 WeakPolarHBondContact O-CG1 3.44Å; S215-I219 PolarHBondContact O-N 3.01Å
216A89.8Confident93Very high15 Ų1537.2 Ų37.212%0.12422%0.222CC..Hα-helixtrans-56.2-34.2178.800000113.4L220 D245 L248 C249A216-L220 PolarHBondContact O-N 3.1Å; A216-D245 HydrophobicContact CB-CB 4.36Å; A216-L248 HydrophobicContact CB-CB 4.18Å; A216-L248 HydrophobicContact CB-CD1 4.37Å; A216-C249 VanDerWaalsContact CB-SG 3.57Å
217K90.8Very high93.2Very high137 Ų13736.5 Ų36.560%0.59621%0.208SC*.Hα-helixtrans-72-48.9175.7-167.9-164.7171.7-1600111.8S215 I219 L220 D221S215-K217 PolarHBondContact O-N 2.79Å; K217-I219 PolarHBondContact O-N 2.8Å; K217-L220 WeakPolarHBondContact O-CB 3.27Å; K217-L220 PolarHBondContact O-N 3.09Å; K217-D221 VanDerWaalsContact CE-OD2 3.23Å; K217-D221 WeakPolarHBondContact CE-OD2 3.39Å; K217-D221 IonicContact NZ-OD2 3.73Å; K217-D221 PolarHBondContact O-N 3.1Å
218E93.5Very high93.3Very high91 Ų9142.7 Ų42.743%0.42524%0.237SC..Hα-helixtrans-64.7-31.9-179.5-62.5158.8123.100111.8L214 S215 I222L214-E218 HydrophobicContact CB-CB 4.19Å; L214-E218 HydrophobicContact CD2-CB 3.73Å; L214-E218 HydrophobicContact CD2-CG 4.42Å; S215-E218 WeakPolarHBondContact CB-OE2 3.32Å; S215-E218 PolarHBondContact N-OE2 2.92Å; S215-E218 PolarHBondContact O-N 3.03Å; S215-E218 WeakPolarHBondContact OG-CG 3.4Å; S215-E218 PolarHBondContact OG-N 3.28Å; S215-E218 PolarHBondContact OG-OE2 3.47Å; E218-I222 WeakPolarHBondContact O-CB 3.12Å; E218-I222 VanDerWaalsContact O-CG1 3.27Å; E218-I222 WeakPolarHBondContact O-CG1 3.46Å; E218-I222 PolarHBondContact O-N 2.95Å
219I93.9Very high93.3Very high1 Ų144.2 Ų44.21%0.00525%0.251CS..Hα-helixtrans-58.2-48.3169.9-74.4163.6000110.7L211 L214 S215 K217 A223 A237 V254L211-I219 HydrophobicContact CD1-CG2 4.38Å; L214-I219 HydrophobicContact CB-CD1 4.48Å; L214-I219 HydrophobicContact CB-CG1 3.85Å; S215-I219 WeakPolarHBondContact O-CB 3.19Å; S215-I219 VanDerWaalsContact O-CG1 3.29Å; S215-I219 WeakPolarHBondContact O-CG1 3.44Å; S215-I219 PolarHBondContact O-N 3.01Å; K217-I219 PolarHBondContact O-N 2.8Å; I219-A223 WeakPolarHBondContact O-CB 3.36Å; I219-A223 PolarHBondContact O-N 3.14Å; I219-A237 HydrophobicContact CD1-CB 4.19Å; I219-A237 HydrophobicContact CG1-CB 4.32Å; I219-A237 HydrophobicContact CG2-CB 3.52Å; I219-V254 HydrophobicContact CG2-CG2 4.22Å
220L93.1Very high93.3Very high46 Ų4647.7 Ų47.724%0.24127%0.266CS..Hα-helixtrans-64.4-51.7177.7176.556.9000111.6A216 K217 I222 A223 T224 T251 Y253A216-L220 PolarHBondContact O-N 3.1Å; K217-L220 WeakPolarHBondContact O-CB 3.27Å; K217-L220 PolarHBondContact O-N 3.09Å; L220-I222 VanDerWaalsContact C-N 3.28Å; L220-I222 PolarHBondContact O-N 3.47Å; L220-A223 PolarHBondContact O-N 3.27Å; L220-T224 PolarHBondContact O-N 3.2Å; L220-T224 PolarHBondContact O-OG1 2.84Å; L220-T224 VanDerWaalsContact O-OG1 3.07Å; L220-T251 HydrophobicContact CD1-CG2 3.69Å; L220-Y253 HydrophobicContact CD1-CD2 4.24Å
221D94.6Very high93.2Very high66 Ų6651.2 Ų51.235%0.35329%0.29SS..Hα-helixtrans-57.5-40.6-177.8-66.6-17.7000111.3K217 Q225K217-D221 VanDerWaalsContact CE-OD2 3.23Å; K217-D221 WeakPolarHBondContact CE-OD2 3.39Å; K217-D221 IonicContact NZ-OD2 3.73Å; K217-D221 PolarHBondContact O-N 3.1Å; D221-Q225 PolarHBondContact O-NE2 3.48Å
222I95.5Very high93.2Very high14 Ų1459.6 Ų59.67%0.07233%0.329CS..Hα-helixtrans-76.1-46.2177.4-66.7169.5000111.7L196 A199 L211 L214 E218 L220 T224 Q225 V226L196-I222 HydrophobicContact CB-CG1 4.21Å; L196-I222 HydrophobicContact CD1-CB 4.5Å; L196-I222 HydrophobicContact CD1-CG1 4.44Å; L196-I222 HydrophobicContact CD1-CG2 4.08Å; A199-I222 HydrophobicContact CB-CG2 4.02Å; L211-I222 HydrophobicContact CD1-CB 4.49Å; L211-I222 HydrophobicContact CD1-CG2 4.27Å; L211-I222 HydrophobicContact CD2-CG2 3.73Å; L214-I222 HydrophobicContact CD1-CD1 3.82Å; L214-I222 HydrophobicContact CD2-CD1 4.02Å; E218-I222 WeakPolarHBondContact O-CB 3.12Å; E218-I222 VanDerWaalsContact O-CG1 3.27Å; E218-I222 WeakPolarHBondContact O-CG1 3.46Å; E218-I222 PolarHBondContact O-N 2.95Å; L220-I222 VanDerWaalsContact C-N 3.28Å; L220-I222 PolarHBondContact O-N 3.47Å; I222-T224 VanDerWaalsContact C-N 3.29Å; I222-T224 PolarHBondContact O-N 3.13Å; I222-Q225 PolarHBondContact O-N 2.9Å; I222-V226 HydrophobicContact CG2-CG2 4.06Å; I222-V226 WeakPolarHBondContact O-CB 3.48Å; I222-V226 VanDerWaalsContact O-CG2 3.29Å; I222-V226 WeakPolarHBondContact O-CG2 3.36Å; I222-V226 PolarHBondContact O-N 3.02Å
223A95.5Very high93.3Very high0 Ų058.5 Ų58.50%032%0.321CS..Hα-helixtrans-61-37.5-177.600000112.4L211 I219 L220 K227 V235 V254L211-A223 HydrophobicContact CD1-CB 4.4Å; I219-A223 WeakPolarHBondContact O-CB 3.36Å; I219-A223 PolarHBondContact O-N 3.14Å; L220-A223 PolarHBondContact O-N 3.27Å; A223-K227 WeakPolarHBondContact O-CB 3.19Å; A223-K227 WeakPolarHBondContact O-CG 3.4Å; A223-K227 PolarHBondContact O-N 3.13Å; A223-V235 HydrophobicContact CB-CG1 3.95Å; A223-V254 HydrophobicContact CB-CG2 3.62Å
224T95.4Very high93.7Very high28 Ų2858.8 Ų58.817%0.17230%0.303CS..Hα-helixtrans-59-57.3174.6-62.70000111.5L220 I222 V226 K227 E228 Y253L220-T224 PolarHBondContact O-N 3.2Å; L220-T224 PolarHBondContact O-OG1 2.84Å; L220-T224 VanDerWaalsContact O-OG1 3.07Å; I222-T224 VanDerWaalsContact C-N 3.29Å; I222-T224 PolarHBondContact O-N 3.13Å; T224-V226 VanDerWaalsContact C-N 3.3Å; T224-V226 PolarHBondContact O-N 3.1Å; T224-K227 PolarHBondContact O-N 2.88Å; T224-E228 HydrophobicContact CG2-CG 4.44Å; T224-E228 WeakPolarHBondContact CG2-OE1 3.41Å; T224-E228 WeakPolarHBondContact O-CB 3.47Å; T224-E228 WeakPolarHBondContact O-CG 3.5Å; T224-E228 PolarHBondContact O-N 3.44Å; T224-Y253 HydrophobicContact CG2-CD2 4.35Å; T224-Y253 HydrophobicContact CG2-CE1 4.38Å; T224-Y253 HydrophobicContact CG2-CE2 3.82Å; T224-Y253 WeakPolarHBondContact OG1-CD2 3.49Å; T224-Y253 WeakPolarHBondContact OG1-CE2 3.4Å
225Q95.2Very high93.9Very high87 Ų8757.8 Ų57.841%0.40730%0.297SS..Hα-helixtrans-62.2-36.1-177.7-69.9171.190.200112.7L196 D221 I222 S229L196-Q225 HydrophobicContact CD1-CB 3.93Å; L196-Q225 VanDerWaalsContact CD2-OE1 3.31Å; D221-Q225 PolarHBondContact O-NE2 3.48Å; I222-Q225 PolarHBondContact O-N 2.9Å; Q225-S229 PolarHBondContact O-N 3.24Å; Q225-S229 PolarHBondContact O-OG 3.49Å
226V94.9Very high94.1Very high1 Ų155.1 Ų55.11%0.00628%0.279CS..Hα-helixtrans-63-52.4174165.90000111.2L196 A199 I209 I222 T224 E228 S229 F230 V235L196-V226 HydrophobicContact CD1-CG2 4.45Å; A199-V226 HydrophobicContact CB-CG2 3.71Å; I209-V226 HydrophobicContact CD1-CG1 3.45Å; I209-V226 VanDerWaalsContact CD1-CG1 3.45Å; I209-V226 HydrophobicContact CD1-CG2 4.23Å; I222-V226 HydrophobicContact CG2-CG2 4.06Å; I222-V226 WeakPolarHBondContact O-CB 3.48Å; I222-V226 VanDerWaalsContact O-CG2 3.29Å; I222-V226 WeakPolarHBondContact O-CG2 3.36Å; I222-V226 PolarHBondContact O-N 3.02Å; T224-V226 VanDerWaalsContact C-N 3.3Å; T224-V226 PolarHBondContact O-N 3.1Å; V226-E228 VanDerWaalsContact C-N 3.34Å; V226-E228 PolarHBondContact O-N 2.73Å; V226-S229 PolarHBondContact O-N 2.74Å; V226-F230 PolarHBondContact O-N 2.91Å; V226-V235 HydrophobicContact CG1-CG2 3.86Å
227K95Very high94.4Very high26 Ų2654.4 Ų54.411%0.11327%0.273CS..Hα-helixtrans-70.6-27.4-177.8-75.2-71.2-157.8178.80113.5A223 T224 S229 P231 I233 V235 Y253 D255A223-K227 WeakPolarHBondContact O-CB 3.19Å; A223-K227 WeakPolarHBondContact O-CG 3.4Å; A223-K227 PolarHBondContact O-N 3.13Å; T224-K227 PolarHBondContact O-N 2.88Å; K227-S229 VanDerWaalsContact C-N 3.3Å; K227-P231 PolarHBondContact NZ-O 2.87Å; K227-P231 WeakPolarHBondContact O-CA 3.29Å; K227-I233 WeakPolarHBondContact CE-O 3.3Å; K227-I233 PolarHBondContact NZ-O 3.49Å; K227-V235 HydrophobicContact CD-CG2 4.29Å; K227-V235 HydrophobicContact CG-CG2 4.22Å; K227-Y253 HydrophobicContact CB-CD1 3.86Å; K227-Y253 WeakPolarHBondContact CE-O 3.45Å; K227-Y253 HydrophobicContact CG-CD1 4.37Å; K227-Y253 WeakPolarHBondContact CG-O 3.31Å; K227-D255 WeakPolarHBondContact CE-OD2 3.47Å; K227-D255 VanDerWaalsContact NZ-CG 3.3Å; K227-D255 IonicContact NZ-OD1 3.04Å; K227-D255 PolarHBondContact NZ-OD1 2.89Å; K227-D255 IonicContact NZ-OD2 2.76Å; K227-D255 PolarHBondContact NZ-OD2 2.93Å
228E94.5Very high94.5Very high130 Ų13048.7 Ų48.761%0.60725%0.25SS*.Hα-helixtrans-67.4-32.5171.6-75.3172.117200112T224 V226T224-E228 HydrophobicContact CG2-CG 4.44Å; T224-E228 WeakPolarHBondContact CG2-OE1 3.41Å; T224-E228 WeakPolarHBondContact O-CB 3.47Å; T224-E228 WeakPolarHBondContact O-CG 3.5Å; T224-E228 PolarHBondContact O-N 3.44Å; V226-E228 VanDerWaalsContact C-N 3.34Å; V226-E228 PolarHBondContact O-N 2.73Å
229S93.9Very high94.1Very high75 Ų7544.5 Ų44.552%0.52423%0.231SC..Hα-helixtrans-87.6-35.3177.1-54.30000113.3Q225 V226 K227Q225-S229 PolarHBondContact O-N 3.24Å; Q225-S229 PolarHBondContact O-OG 3.49Å; V226-S229 PolarHBondContact O-N 2.74Å; K227-S229 VanDerWaalsContact C-N 3.3Å
230F94.7Very high93.8Very high72 Ų7247.3 Ų47.332%0.31624%0.244SC..  trans-142.577.5-170.3-59-82.7000111A203 V226 E232 I233A203-F230 HydrophobicContact CB-CB 3.94Å; A203-F230 HydrophobicContact CB-CD1 4.12Å; A203-F230 HydrophobicContact CB-CD2 3.33Å; A203-F230 HydrophobicContact CB-CE1 4.45Å; A203-F230 HydrophobicContact CB-CE2 3.74Å; A203-F230 HydrophobicContact CB-CG 3.55Å; A203-F230 HydrophobicContact CB-CZ 4.29Å; V226-F230 PolarHBondContact O-N 2.91Å; F230-E232 VanDerWaalsContact C-N 3.3Å; F230-E232 PolarHBondContact O-N 3.4Å; F230-I233 HydrophobicContact CB-CB 4.35Å; F230-I233 HydrophobicContact CB-CG1 3.84Å; F230-I233 PolarHBondContact O-N 3.27Å
231P93.2Very high93.6Very high88 Ų8845.3 Ų45.357%0.57123%0.233SC*.THydrogen-bonded Turntrans-65.1-30.2-172.924.2-34.3000114.2K227 I233K227-P231 PolarHBondContact NZ-O 2.87Å; K227-P231 WeakPolarHBondContact O-CA 3.29Å; P231-I233 PolarHBondContact O-N 2.94Å
232E93.3Very high93.4Very high177 Ų17743.6 Ų43.683%0.82722%0.223SC*.THydrogen-bonded Turntrans-70.6-24.4-178.1-58.4-64.215900114.1F230F230-E232 VanDerWaalsContact C-N 3.3Å; F230-E232 PolarHBondContact O-N 3.4Å
233I94.1Very high93.2Very high20 Ų2045 Ų4510%0.10323%0.231CC..SBendtrans-77.3132.9-172.7-63.1-66.2000110.3A203 A207 I209 K227 F230 P231A203-I233 HydrophobicContact CB-CG1 4.08Å; A203-I233 HydrophobicContact CB-CG2 4.42Å; A207-I233 WeakPolarHBondContact O-CG2 3.2Å; I209-I233 HydrophobicContact CD1-CG2 3.95Å; I209-I233 HydrophobicContact CG1-CG2 4.19Å; K227-I233 WeakPolarHBondContact CE-O 3.3Å; K227-I233 PolarHBondContact NZ-O 3.49Å; F230-I233 HydrophobicContact CB-CB 4.35Å; F230-I233 HydrophobicContact CB-CG1 3.84Å; F230-I233 PolarHBondContact O-N 3.27Å; P231-I233 PolarHBondContact O-N 2.94Å
234Q95.1Very high93.1Very high80 Ų8049.2 Ų49.237%0.37426%0.261SS..  trans-75.9137.1176.1-57.4-162.8-29.500111.5D208 I209 D255D208-Q234 HydrophobicContact CB-CB 4.19Å; D208-Q234 VanDerWaalsContact OD1-CB 3.3Å; D208-Q234 WeakPolarHBondContact OD1-CB 3.37Å; D208-Q234 PolarHBondContact OD1-N 3.42Å; I209-Q234 PolarHBondContact N-O 3.4Å; Q234-D255 WeakPolarHBondContact CA-OD2 3.05Å
235V96Very high92.9Very high1 Ų150 Ų501%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-114.5113.7176.6179.60000109.2L211 A223 V226 K227 V254 D255 H256L211-V235 HydrophobicContact CD1-CG1 3.91Å; L211-V235 HydrophobicContact CG-CG1 4.29Å; A223-V235 HydrophobicContact CB-CG1 3.95Å; V226-V235 HydrophobicContact CG1-CG2 3.86Å; K227-V235 HydrophobicContact CD-CG2 4.29Å; K227-V235 HydrophobicContact CG-CG2 4.22Å; V235-V254 HydrophobicContact CG1-CG2 4.39Å; V235-D255 PolarHBondContact N-OD2 3.31Å; V235-D255 PolarHBondContact O-N 2.88Å; V235-H256 PolarHBondContact O-N 3.45Å
236I95Very high92.8Very high3 Ų346 Ų462%0.01525%0.245CC..EExtended strand (participates in β ladder)trans-109.9116.1178.9-50.7-174.7000107.9H190 I209 L210 L211 H256 T258H190-I236 WeakPolarHBondContact CE1-CD1 3.31Å; I209-I236 PolarHBondContact O-N 2.93Å; L210-I236 CarbonylContact C-O 3.53Å; L210-I236 WeakPolarHBondContact CA-O 3.47Å; L210-I236 HydrophobicContact CD1-CB 3.91Å; L210-I236 HydrophobicContact CD1-CG2 3.65Å; L211-I236 PolarHBondContact N-O 2.87Å; I236-H256 WeakPolarHBondContact CA-O 3.48Å; I236-H256 HydrophobicContact CB-CB 4.4Å; I236-H256 HydrophobicContact CG1-CB 4.11Å; I236-H256 HydrophobicContact CG2-CB 4.06Å; I236-T258 HydrophobicContact CG2-CG2 4.46Å
237A94.8Very high92.7Very high0 Ų050.5 Ų50.50%027%0.265CS..EExtended strand (participates in β ladder)trans-96.9121.5179.100000112.1I219 V254 H256 L257 T258I219-A237 HydrophobicContact CD1-CB 4.19Å; I219-A237 HydrophobicContact CG1-CB 4.32Å; I219-A237 HydrophobicContact CG2-CB 3.52Å; A237-V254 HydrophobicContact CB-CG1 3.86Å; A237-H256 PolarHBondContact N-O 2.97Å; A237-L257 HydrophobicContact CB-CD2 3.98Å; A237-T258 PolarHBondContact O-N 3.49Å
238S92.8Very high92.6Very high17 Ų1753.8 Ų53.812%0.11928%0.283CS..EExtended strand (participates in β ladder)trans-114.1104.4178.3-167.50000110.9L211 T258L211-S238 WeakPolarHBondContact O-CA 3.39Å; L211-S238 WeakPolarHBondContact O-CB 3.36Å; L211-S238 PolarHBondContact O-N 3.06Å; S238-T258 WeakPolarHBondContact CA-O 3.05Å
239G86.2Confident92.4Very high2 Ų247.6 Ų47.62%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-140.1-165.6-169.100000115T258 S259 L260G239-T258 PolarHBondContact N-O 3.42Å; G239-T258 VanDerWaalsContact N-O 3.16Å; G239-S259 WeakPolarHBondContact O-CA 3.38Å; G239-L260 PolarHBondContact O-N 2.88Å
240F87.4Confident92.4Very high61 Ų6144.1 Ų44.127%0.26823%0.23SC..  trans-120.259173.1-77.7-99.5000109.4L260 K261 C535F240-L260 HydrophobicContact CD1-CB 4.16Å; F240-L260 HydrophobicContact CD2-CB 4.42Å; F240-L260 HydrophobicContact CD2-CD1 4.39Å; F240-L260 HydrophobicContact CE1-CB 3.66Å; F240-L260 HydrophobicContact CE2-CB 3.93Å; F240-L260 HydrophobicContact CE2-CD1 3.51Å; F240-L260 HydrophobicContact CE2-CG 4.33Å; F240-L260 HydrophobicContact CZ-CB 3.52Å; F240-L260 HydrophobicContact CZ-CD1 3.66Å; F240-L260 HydrophobicContact CZ-CG 4.2Å; F240-K261 HydrophobicContact CB-CG 4.17Å; F240-K261 HydrophobicContact CD1-CG 4.1Å; F240-K261 WeakPolarHBondContact O-CD 3.48Å; F240-K261 WeakPolarHBondContact O-CE 3.31Å; F240-K261 PolarHBondContact O-NZ 2.7Å; F240-K261 VanDerWaalsContact O-NZ 3.09Å; F240-C535 WeakPolarHBondContact CE2-O 3.41Å; F240-C535 WeakPolarHBondContact CZ-O 3.19Å
241F89Confident92.3Very high4 Ų442.3 Ų42.32%0.01823%0.225CC..  trans-104.1146.9174.752.7-95.3000110.7D245 V246 L257 T258 S259F241-D245 HydrophobicContact CB-CB 3.51Å; F241-V246 HydrophobicContact CD2-CB 4.07Å; F241-V246 HydrophobicContact CD2-CG2 4.04Å; F241-V246 HydrophobicContact CE2-CG2 4.17Å; F241-L257 HydrophobicContact CE1-CD2 4.35Å; F241-L257 HydrophobicContact CE2-CB 4.14Å; F241-L257 HydrophobicContact CE2-CD1 4.44Å; F241-L257 HydrophobicContact CE2-CD2 4.38Å; F241-L257 HydrophobicContact CZ-CB 3.86Å; F241-L257 HydrophobicContact CZ-CD2 3.84Å; F241-L257 HydrophobicContact CZ-CG 4.32Å; F241-T258 WeakPolarHBondContact CE1-O 3.12Å; F241-T258 WeakPolarHBondContact CZ-O 3.38Å; F241-S259 PolarHBondContact N-OG 2.92Å; F241-S259 WeakPolarHBondContact O-CB 3.48Å; F241-S259 PolarHBondContact O-OG 2.93Å
242D90Very high92.3Very high29 Ų2947.8 Ų47.816%0.15523%0.234CC..  trans-128.5-154.1177.550.722.9000109.3L114 S244 D245 V246 K261L114-D242 HydrophobicContact CD1-CB 4.05Å; D242-S244 VanDerWaalsContact C-N 3.32Å; D242-S244 PolarHBondContact O-N 3.48Å; D242-S244 PolarHBondContact OD1-N 2.81Å; D242-S244 PolarHBondContact OD1-OG 2.92Å; D242-D245 PolarHBondContact O-N 3.23Å; D242-V246 WeakPolarHBondContact O-CB 3.47Å; D242-V246 WeakPolarHBondContact O-CG1 3.15Å; D242-V246 PolarHBondContact O-N 3.17Å; D242-K261 HydrophobicContact CB-CD 3.59Å; D242-K261 IonicContact OD1-NZ 3Å; D242-K261 PolarHBondContact OD1-NZ 3.35Å; D242-K261 WeakPolarHBondContact OD2-CD 3.41Å; D242-K261 VanDerWaalsContact OD2-CE 3.27Å; D242-K261 WeakPolarHBondContact OD2-CE 3.44Å; D242-K261 IonicContact OD2-NZ 3.29Å; D242-K261 PolarHBondContact OD2-NZ 2.93Å
243D92Very high92.4Very high44 Ų4441.3 Ų41.324%0.23520%0.203CC..THydrogen-bonded Turntrans-69.5-18.1-17953.7-52.9000114.9L114 R117 I118 I121L114-D243 WeakPolarHBondContact CD1-OD1 3.26Å; R117-D243 HydrophobicContact CB-CB 4.12Å; R117-D243 IonicContact CZ-OD1 3.01Å; R117-D243 IonicContact CZ-OD2 2.68Å; R117-D243 IonicContact NE-OD2 3.18Å; R117-D243 IonicContact NH1-OD1 2.72Å; R117-D243 PolarHBondContact NH1-OD1 2.87Å; R117-D243 IonicContact NH1-OD2 3.55Å; R117-D243 PolarHBondContact NH1-OD2 2.85Å; I118-D243 HydrophobicContact CG1-CB 4.13Å; I121-D243 HydrophobicContact CD1-CB 3.65Å; I121-D243 WeakPolarHBondContact CD1-O 3.44Å
244S92.4Very high92.4Very high89 Ų8940.5 Ų40.562%0.62220%0.198SC*.THydrogen-bonded Turntrans-78-39.7167.4610000112.1D242D242-S244 VanDerWaalsContact C-N 3.32Å; D242-S244 PolarHBondContact O-N 3.48Å; D242-S244 PolarHBondContact OD1-N 2.81Å; D242-S244 PolarHBondContact OD1-OG 2.92Å
245D92Very high92.4Very high45 Ų4538.8 Ų38.824%0.24119%0.192CC..THydrogen-bonded Turntrans-91-29.6-164.8-58.3-18.8000113A216 F241 D242 K247 L248 K261A216-D245 HydrophobicContact CB-CB 4.36Å; F241-D245 HydrophobicContact CB-CB 3.51Å; D242-D245 PolarHBondContact O-N 3.23Å; D245-K247 VanDerWaalsContact C-N 3.28Å; D245-K247 PolarHBondContact O-N 2.95Å; D245-K247 VanDerWaalsContact O-N 3.16Å; D245-L248 WeakPolarHBondContact O-CB 3.41Å; D245-L248 PolarHBondContact O-N 3.46Å; D245-K261 IonicContact OD2-NZ 2.62Å; D245-K261 PolarHBondContact OD2-NZ 3.18Å
246V93.2Very high92.4Very high1 Ų139.9 Ų39.91%0.00620%0.197CC..Hα-helixtrans-61.2-30.5-167.466.90000113.9I118 I121 I122 F241 D242 L248 C249 A250 L257I118-V246 HydrophobicContact CG2-CB 4.33Å; I118-V246 HydrophobicContact CG2-CG1 4.19Å; I118-V246 HydrophobicContact CG2-CG2 4.02Å; I121-V246 HydrophobicContact CB-CG1 4.49Å; I121-V246 HydrophobicContact CG2-CG1 3.37Å; I122-V246 HydrophobicContact CD1-CG2 3.79Å; I122-V246 HydrophobicContact CG1-CG2 4.06Å; F241-V246 HydrophobicContact CD2-CB 4.07Å; F241-V246 HydrophobicContact CD2-CG2 4.04Å; F241-V246 HydrophobicContact CE2-CG2 4.17Å; D242-V246 WeakPolarHBondContact O-CB 3.47Å; D242-V246 WeakPolarHBondContact O-CG1 3.15Å; D242-V246 PolarHBondContact O-N 3.17Å; V246-L248 PolarHBondContact O-N 3.4Å; V246-C249 PolarHBondContact O-N 3.22Å; V246-A250 WeakPolarHBondContact O-CB 3.49Å; V246-A250 PolarHBondContact O-N 3.26Å; V246-L257 HydrophobicContact CG2-CD1 3.94Å
247K92.8Very high92.4Very high96 Ų9639.8 Ų39.842%0.41720%0.196SC..Hα-helixtrans-62.6-24.3177.2-68.6-167.9176-177.10113I121 E124 V125 D245I121-K247 HydrophobicContact CG2-CD 4.17Å; I121-K247 HydrophobicContact CG2-CG 3.56Å; E124-K247 WeakPolarHBondContact OE2-CE 3.2Å; E124-K247 IonicContact OE2-NZ 2.63Å; E124-K247 PolarHBondContact OE2-NZ 3.23Å; V125-K247 HydrophobicContact CG2-CD 4.39Å; V125-K247 HydrophobicContact CG2-CG 4.1Å; D245-K247 VanDerWaalsContact C-N 3.28Å; D245-K247 PolarHBondContact O-N 2.95Å; D245-K247 VanDerWaalsContact O-N 3.16Å
248L92.2Very high92.4Very high95 Ų9539.8 Ų39.850%0.49720%0.196SC..Hα-helixtrans-79.5-30.9174.2-59.7173.6000112.1A216 D245 V246 T251A216-L248 HydrophobicContact CB-CB 4.18Å; A216-L248 HydrophobicContact CB-CD1 4.37Å; D245-L248 WeakPolarHBondContact O-CB 3.41Å; D245-L248 PolarHBondContact O-N 3.46Å; V246-L248 PolarHBondContact O-N 3.4Å; L248-T251 WeakPolarHBondContact O-CG2 3.41Å
249C91.4Very high92.4Very high0 Ų039 Ų390%019%0.191CC..Hα-helixtrans-81.8-34.2178.1-57.40000112.7A216 V246 T251 L257A216-C249 VanDerWaalsContact CB-SG 3.57Å; V246-C249 PolarHBondContact O-N 3.22Å; C249-T251 PolarHBondContact O-N 3.02Å; C249-L257 HydrophobicContact CB-CD1 4.22Å; C249-L257 HydrophobicContact CB-CD2 3.61Å
250A93.2Very high92.7Very high3 Ų339.2 Ų39.23%0.02519%0.192CC..  trans-77.256-173.400000113.5I122 V125 W127 V246 L257I122-A250 HydrophobicContact CD1-CB 3.9Å; V125-A250 WeakPolarHBondContact CG1-O 3.28Å; W127-A250 HydrophobicContact CB-CB 4.25Å; W127-A250 VanDerWaalsContact CD1-C 3.4Å; W127-A250 HydrophobicContact CD2-CB 4.09Å; W127-A250 HydrophobicContact CG-CB 3.99Å; V246-A250 WeakPolarHBondContact O-CB 3.49Å; V246-A250 PolarHBondContact O-N 3.26Å; A250-L257 HydrophobicContact CB-CD1 3.96Å
251T92.8Very high92.9Very high33 Ų3338.4 Ų38.420%0.20219%0.188CC..SBendtrans-105.4166.8-179.570.40000112.4W127 L220 L248 C249 Y253 V254W127-T251 PolarHBondContact NE1-O 3.28Å; L220-T251 HydrophobicContact CD1-CG2 3.69Å; L248-T251 WeakPolarHBondContact O-CG2 3.41Å; C249-T251 PolarHBondContact O-N 3.02Å; T251-Y253 PolarHBondContact O-N 3.01Å; T251-V254 PolarHBondContact O-N 3.05Å; T251-V254 VanDerWaalsContact O-N 3.17Å
252R93.6Very high93.1Very high203 Ų20338.3 Ų38.377%0.76619%0.187SC*.THydrogen-bonded Turntrans-58.7-10178.372177.6-175.8175.42.4115.2
253Y94Very high93.2Very high42 Ų4237.1 Ų37.117%0.16518%0.182CC..THydrogen-bonded Turntrans-97.5-11.3-177.1-53.4-63.2000113.8L220 T224 K227 T251L220-Y253 HydrophobicContact CD1-CD2 4.24Å; T224-Y253 HydrophobicContact CG2-CD2 4.35Å; T224-Y253 HydrophobicContact CG2-CE1 4.38Å; T224-Y253 HydrophobicContact CG2-CE2 3.82Å; T224-Y253 WeakPolarHBondContact OG1-CD2 3.49Å; T224-Y253 WeakPolarHBondContact OG1-CE2 3.4Å; K227-Y253 HydrophobicContact CB-CD1 3.86Å; K227-Y253 WeakPolarHBondContact CE-O 3.45Å; K227-Y253 HydrophobicContact CG-CD1 4.37Å; K227-Y253 WeakPolarHBondContact CG-O 3.31Å; T251-Y253 PolarHBondContact O-N 3.01Å
254V95.1Very high93Very high2 Ų237.3 Ų37.31%0.01218%0.183CC..  trans-115.1115.3179.3-178.50000107.9W127 I219 A223 V235 A237 T251 H256 L257W127-V254 PolarHBondContact NE1-O 3.15Å; I219-V254 HydrophobicContact CG2-CG2 4.22Å; A223-V254 HydrophobicContact CB-CG2 3.62Å; V235-V254 HydrophobicContact CG1-CG2 4.39Å; A237-V254 HydrophobicContact CB-CG1 3.86Å; T251-V254 PolarHBondContact O-N 3.05Å; T251-V254 VanDerWaalsContact O-N 3.17Å; V254-H256 VanDerWaalsContact CG1-O 3.3Å; V254-H256 WeakPolarHBondContact CG1-O 3.3Å; V254-L257 HydrophobicContact CG1-CD2 3.68Å; V254-L257 HydrophobicContact CG1-CG 4.33Å
255D95.1Very high92.9Very high44 Ų4435 Ų3524%0.23517%0.173CC..SBendtrans-78.9-31.5-176.2-49-85.8000111.5G129 T130 K227 Q234 V235G129-D255 WeakPolarHBondContact CA-O 3.26Å; T130-D255 PolarHBondContact N-O 3.07Å; K227-D255 WeakPolarHBondContact CE-OD2 3.47Å; K227-D255 VanDerWaalsContact NZ-CG 3.3Å; K227-D255 IonicContact NZ-OD1 3.04Å; K227-D255 PolarHBondContact NZ-OD1 2.89Å; K227-D255 IonicContact NZ-OD2 2.76Å; K227-D255 PolarHBondContact NZ-OD2 2.93Å; Q234-D255 WeakPolarHBondContact CA-OD2 3.05Å; V235-D255 PolarHBondContact N-OD2 3.31Å; V235-D255 PolarHBondContact O-N 2.88Å
256H95.1Very high93Very high25 Ų2534 Ų3412%0.11617%0.166CC..EExtended strand (participates in β ladder)trans-142.4142.8-176.7-59.2-59.8000112.8T130 Y132 V235 I236 A237 V254T130-H256 WeakPolarHBondContact O-CA 3.3Å; Y132-H256 HydrophobicContact CD2-CB 3.9Å; Y132-H256 HydrophobicContact CE2-CB 3.82Å; Y132-H256 AromaticContact CE2-CE1 3.89Å; Y132-H256 AromaticContact CE2-CG 3.46Å; Y132-H256 VanDerWaalsContact CE2-CG 3.46Å; Y132-H256 AromaticContact CE2-ND1 3.38Å; Y132-H256 WeakPolarHBondContact CE2-ND1 3.48Å; Y132-H256 AromaticContact CZ-ND1 3.92Å; V235-H256 PolarHBondContact O-N 3.45Å; I236-H256 WeakPolarHBondContact CA-O 3.48Å; I236-H256 HydrophobicContact CB-CB 4.4Å; I236-H256 HydrophobicContact CG1-CB 4.11Å; I236-H256 HydrophobicContact CG2-CB 4.06Å; A237-H256 PolarHBondContact N-O 2.97Å; V254-H256 VanDerWaalsContact CG1-O 3.3Å; V254-H256 WeakPolarHBondContact CG1-O 3.3Å
257L95.3Very high93.1Very high0 Ų037.3 Ų37.30%019%0.194CC..EExtended strand (participates in β ladder)trans-120136.3-179.3-71177.9000110.8I122 W127 T130 I131 Y132 A237 F241 V246 C249 A250 V254I122-L257 HydrophobicContact CD1-CD1 3.87Å; W127-L257 HydrophobicContact CH2-CB 3.79Å; W127-L257 HydrophobicContact CH2-CD1 3.63Å; W127-L257 HydrophobicContact CH2-CG 3.52Å; W127-L257 HydrophobicContact CZ2-CB 4.26Å; W127-L257 HydrophobicContact CZ2-CD1 3.77Å; W127-L257 HydrophobicContact CZ2-CG 3.53Å; W127-L257 HydrophobicContact CZ3-CD1 4.1Å; W127-L257 HydrophobicContact CZ3-CG 4.44Å; T130-L257 PolarHBondContact O-N 3.15Å; I131-L257 CarbonylContact C-O 3.56Å; I131-L257 WeakPolarHBondContact CA-O 3.36Å; Y132-L257 PolarHBondContact N-O 3.29Å; A237-L257 HydrophobicContact CB-CD2 3.98Å; F241-L257 HydrophobicContact CE1-CD2 4.35Å; F241-L257 HydrophobicContact CE2-CB 4.14Å; F241-L257 HydrophobicContact CE2-CD1 4.44Å; F241-L257 HydrophobicContact CE2-CD2 4.38Å; F241-L257 HydrophobicContact CZ-CB 3.86Å; F241-L257 HydrophobicContact CZ-CD2 3.84Å; F241-L257 HydrophobicContact CZ-CG 4.32Å; V246-L257 HydrophobicContact CG2-CD1 3.94Å; C249-L257 HydrophobicContact CB-CD1 4.22Å; C249-L257 HydrophobicContact CB-CD2 3.61Å; A250-L257 HydrophobicContact CB-CD1 3.96Å; V254-L257 HydrophobicContact CG1-CD2 3.68Å; V254-L257 HydrophobicContact CG1-CG 4.33Å
258T94.2Very high93.2Very high1 Ų139 Ų391%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-139.4134.8166.3165.30000110Y132 P134 I236 A237 S238 G239 F241Y132-T258 WeakPolarHBondContact O-CB 3.05Å; P134-T258 VanDerWaalsContact CA-OG1 3.28Å; P134-T258 WeakPolarHBondContact CA-OG1 3.39Å; I236-T258 HydrophobicContact CG2-CG2 4.46Å; A237-T258 PolarHBondContact O-N 3.49Å; S238-T258 WeakPolarHBondContact CA-O 3.05Å; G239-T258 PolarHBondContact N-O 3.42Å; G239-T258 VanDerWaalsContact N-O 3.16Å; F241-T258 WeakPolarHBondContact CE1-O 3.12Å; F241-T258 WeakPolarHBondContact CZ-O 3.38Å
259S93.6Very high93.4Very high1 Ų134.8 Ų34.81%0.00718%0.179CC..EExtended strand (participates in β ladder)trans-123.5136.9178.8-178.90000112.2G239 F241 K261 L262G239-S259 WeakPolarHBondContact O-CA 3.38Å; F241-S259 PolarHBondContact N-OG 2.92Å; F241-S259 WeakPolarHBondContact O-CB 3.48Å; F241-S259 PolarHBondContact O-OG 2.93Å; S259-K261 VanDerWaalsContact C-N 3.34Å; S259-K261 PolarHBondContact OG-N 3.35Å; S259-K261 VanDerWaalsContact OG-N 3.15Å; S259-L262 WeakPolarHBondContact O-CB 3.38Å
260L91.8Very high93.7Very high6 Ų638.8 Ų38.83%0.03120%0.201CC..THydrogen-bonded Turntrans-76.8-21.8173.5-70.7158.6000112.2P134 R136 G239 F240 L262 C263 N264P134-L260 HydrophobicContact CB-CD2 3.75Å; P134-L260 HydrophobicContact CB-CG 4.33Å; R136-L260 HydrophobicContact CB-CD2 3.91Å; G239-L260 PolarHBondContact O-N 2.88Å; F240-L260 HydrophobicContact CD1-CB 4.16Å; F240-L260 HydrophobicContact CD2-CB 4.42Å; F240-L260 HydrophobicContact CD2-CD1 4.39Å; F240-L260 HydrophobicContact CE1-CB 3.66Å; F240-L260 HydrophobicContact CE2-CB 3.93Å; F240-L260 HydrophobicContact CE2-CD1 3.51Å; F240-L260 HydrophobicContact CE2-CG 4.33Å; F240-L260 HydrophobicContact CZ-CB 3.52Å; F240-L260 HydrophobicContact CZ-CD1 3.66Å; F240-L260 HydrophobicContact CZ-CG 4.2Å; L260-L262 PolarHBondContact O-N 2.77Å; L260-L262 VanDerWaalsContact O-N 3.16Å; L260-C263 PolarHBondContact O-N 2.97Å; L260-N264 VanDerWaalsContact O-CG 3.29Å; L260-N264 PolarHBondContact O-N 2.96Å; L260-N264 VanDerWaalsContact O-N 3.09Å; L260-N264 PolarHBondContact O-OD1 3.35Å
261K92.4Very high93.9Very high43 Ų4339 Ų3919%0.18720%0.201CC..Hα-helixtrans-57.7-28.1172.9-74.8-173.8177.91640111.6L114 F240 D242 D245 S259 C263 N264 G265 Y266L114-K261 WeakPolarHBondContact CD2-O 3.5Å; F240-K261 HydrophobicContact CB-CG 4.17Å; F240-K261 HydrophobicContact CD1-CG 4.1Å; F240-K261 WeakPolarHBondContact O-CD 3.48Å; F240-K261 WeakPolarHBondContact O-CE 3.31Å; F240-K261 PolarHBondContact O-NZ 2.7Å; F240-K261 VanDerWaalsContact O-NZ 3.09Å; D242-K261 HydrophobicContact CB-CD 3.59Å; D242-K261 IonicContact OD1-NZ 3Å; D242-K261 PolarHBondContact OD1-NZ 3.35Å; D242-K261 WeakPolarHBondContact OD2-CD 3.41Å; D242-K261 VanDerWaalsContact OD2-CE 3.27Å; D242-K261 WeakPolarHBondContact OD2-CE 3.44Å; D242-K261 IonicContact OD2-NZ 3.29Å; D242-K261 PolarHBondContact OD2-NZ 2.93Å; D245-K261 IonicContact OD2-NZ 2.62Å; D245-K261 PolarHBondContact OD2-NZ 3.18Å; S259-K261 VanDerWaalsContact C-N 3.34Å; S259-K261 PolarHBondContact OG-N 3.35Å; S259-K261 VanDerWaalsContact OG-N 3.15Å; K261-C263 PolarHBondContact O-N 3.32Å; K261-N264 PolarHBondContact O-N 2.87Å; K261-G265 CarbonylContact O-C 3.58Å; K261-G265 VanDerWaalsContact O-CA 3.29Å; K261-G265 WeakPolarHBondContact O-CA 3.47Å; K261-G265 PolarHBondContact O-N 3.27Å; K261-Y266 PolarHBondContact O-N 3.38Å
262L94Very high94.1Very high2 Ų242.3 Ų42.31%0.0121%0.214CC..Hα-helixtrans-55.2-32.1172.8-71.4170.9000113.5L114 A115 I118 M149 S259 L260 Y266L114-L262 HydrophobicContact CG-CD2 4.4Å; A115-L262 HydrophobicContact CB-CD2 3.9Å; I118-L262 HydrophobicContact CD1-CD2 3.84Å; M149-L262 HydrophobicContact SD-CB 3.88Å; M149-L262 HydrophobicContact SD-CD1 4.02Å; M149-L262 HydrophobicContact SD-CG 4.47Å; S259-L262 WeakPolarHBondContact O-CB 3.38Å; L260-L262 PolarHBondContact O-N 2.77Å; L260-L262 VanDerWaalsContact O-N 3.16Å; L262-Y266 WeakPolarHBondContact O-CD1 3.36Å
263C91.1Very high94.1Very high5 Ų533.2 Ų33.23%0.03418%0.18CC..Hα-helixtrans-111.3-12.6-177.9-66.80000114.3P134 M149 L260 K261 Y266P134-C263 HydrophobicContact CG-CB 4.35Å; P134-C263 VanDerWaalsContact CG-SG 3.51Å; M149-C263 VanDerWaalsContact CE-SG 3.55Å; L260-C263 PolarHBondContact O-N 2.97Å; K261-C263 PolarHBondContact O-N 3.32Å; C263-Y266 WeakPolarHBondContact O-CE1 3.39Å
264N89.1Confident94.1Very high48 Ų4832.7 Ų32.726%0.25719%0.185SC..Hα-helixtrans-1427.4-177.568.123.2000116.1L260 K261 N548L260-N264 VanDerWaalsContact O-CG 3.29Å; L260-N264 PolarHBondContact O-N 2.96Å; L260-N264 VanDerWaalsContact O-N 3.09Å; L260-N264 PolarHBondContact O-OD1 3.35Å; K261-N264 PolarHBondContact O-N 2.87Å; N264-N548 PolarHBondContact ND2-ND2 3.11Å; N264-N548 PolarHBondContact ND2-OD1 2.88Å
265G89.9Confident94Very high41 Ų4136.8 Ų36.842%0.42320%0.201SC..SBendtrans-133.915.1-178.500000114.4K261K261-G265 CarbonylContact O-C 3.58Å; K261-G265 VanDerWaalsContact O-CA 3.29Å; K261-G265 WeakPolarHBondContact O-CA 3.47Å; K261-G265 PolarHBondContact O-N 3.27Å
266Y93.4Very high93.7Very high23 Ų2336.9 Ų36.99%0.0920%0.203CC..PPolyproline II helixtrans-78.1152.2171.155.8-94.3000111.6R107 I111 K261 L262 C263 F268R107-Y266 HydrophobicContact CB-CE2 4.35Å; R107-Y266 HydrophobicContact CG-CE2 4.43Å; R107-Y266 PolarHBondContact NH1-OH 3.39Å; R107-Y266 PolarHBondContact NH2-OH 3.23Å; I111-Y266 HydrophobicContact CB-CD1 4.43Å; I111-Y266 HydrophobicContact CD1-CD1 4.37Å; I111-Y266 HydrophobicContact CD1-CE1 3.71Å; I111-Y266 HydrophobicContact CG1-CD1 3.38Å; I111-Y266 HydrophobicContact CG1-CD2 4.36Å; I111-Y266 HydrophobicContact CG1-CE1 3.2Å; I111-Y266 HydrophobicContact CG1-CE2 4.24Å; I111-Y266 HydrophobicContact CG1-CG 3.97Å; K261-Y266 PolarHBondContact O-N 3.38Å; L262-Y266 WeakPolarHBondContact O-CD1 3.36Å; C263-Y266 WeakPolarHBondContact O-CE1 3.39Å; Y266-F268 HydrophobicContact CE2-CD1 4.5Å; Y266-F268 HydrophobicContact CE2-CE1 4.45Å
267A94.7Very high92.8Very high71 Ų7145.2 Ų45.259%0.58724%0.239SC*.PPolyproline II helixtrans-75.6140.3162.900000109.6G110G110-A267 WeakPolarHBondContact CA-O 3.45Å
268F94.7Very high91.2Very high132 Ų13250.5 Ų50.558%0.57927%0.267SS*.PPolyproline II helixtrans-65.3140.2170-70.5-86.4000110S106 R107 Y266S106-F268 WeakPolarHBondContact OG-CB 3.37Å; S106-F268 WeakPolarHBondContact OG-CD1 3.42Å; R107-F268 HydrophobicContact CG-CD1 4.21Å; R107-F268 HydrophobicContact CG-CE1 3.72Å; Y266-F268 HydrophobicContact CE2-CD1 4.5Å; Y266-F268 HydrophobicContact CE2-CE1 4.45Å
269V96.9Very high88.7Confident5 Ų560.6 Ų60.63%0.0331%0.311CS..PPolyproline II helixtrans-84.6126.5165.9170.80000108M44 S106 F271M44-V269 HydrophobicContact CE-CG1 3.72Å; M44-V269 HydrophobicContact CG-CG1 3.99Å; M44-V269 HydrophobicContact SD-CG1 4.28Å; S106-V269 WeakPolarHBondContact CA-O 3.25Å; S106-V269 WeakPolarHBondContact CB-O 3.4Å; S106-V269 PolarHBondContact O-N 2.92Å; S106-V269 PolarHBondContact OG-O 2.94Å; V269-F271 HydrophobicContact CB-CD2 4.33Å; V269-F271 HydrophobicContact CB-CE2 3.77Å; V269-F271 HydrophobicContact CB-CZ 4.49Å; V269-F271 HydrophobicContact CG1-CD2 3.9Å; V269-F271 HydrophobicContact CG1-CE2 3.33Å; V269-F271 HydrophobicContact CG1-CZ 3.69Å; V269-F271 WeakPolarHBondContact O-CD2 3.42Å
270D97.3Very high86.3Confident85 Ų8567.3 Ų67.346%0.45535%0.346SS..PPolyproline II helixtrans-73.3129.5177.9-168.722000111.7H45 S46H45-D270 HydrophobicContact CB-CB 3.98Å; H45-D270 VanDerWaalsContact CB-OD2 3.31Å; H45-D270 WeakPolarHBondContact CB-OD2 3.25Å; H45-D270 PolarHBondContact N-O 3.37Å; S46-D270 PolarHBondContact N-O 3.29Å; S46-D270 VanDerWaalsContact OG-CB 3.26Å; S46-D270 WeakPolarHBondContact OG-CB 3.39Å; S46-D270 PolarHBondContact OG-N 3.14Å
271F97.8Very high83.5Confident6 Ų672.3 Ų72.33%0.02638%0.377CS..EExtended strand (participates in β ladder)trans-136.9129.5178.2-71.9-83.7000108.9I42 D43 M44 I50 V84 I102 L105 V269I42-F271 HydrophobicContact CG2-CD1 4.06Å; D43-F271 WeakPolarHBondContact O-CA 3.48Å; M44-F271 HydrophobicContact CB-CD1 3.82Å; M44-F271 HydrophobicContact CB-CE1 3.64Å; M44-F271 HydrophobicContact CG-CD1 4.12Å; M44-F271 HydrophobicContact CG-CE1 3.65Å; M44-F271 HydrophobicContact CG-CZ 4.07Å; M44-F271 HydrophobicContact SD-CE1 3.84Å; M44-F271 HydrophobicContact SD-CZ 3.94Å; I50-F271 HydrophobicContact CD1-CE1 4.32Å; I50-F271 HydrophobicContact CG1-CE1 4.5Å; I50-F271 HydrophobicContact CG1-CZ 4.28Å; V84-F271 HydrophobicContact CG2-CD1 4.27Å; V84-F271 HydrophobicContact CG2-CE1 4.08Å; I102-F271 HydrophobicContact CG2-CB 4.45Å; L105-F271 VanDerWaalsContact C-CE2 3.5Å; L105-F271 HydrophobicContact CB-CD2 3.86Å; L105-F271 HydrophobicContact CB-CE1 4.46Å; L105-F271 HydrophobicContact CB-CE2 3.68Å; L105-F271 HydrophobicContact CB-CG 4.34Å; L105-F271 HydrophobicContact CB-CZ 4.01Å; V269-F271 HydrophobicContact CB-CD2 4.33Å; V269-F271 HydrophobicContact CB-CE2 3.77Å; V269-F271 HydrophobicContact CB-CZ 4.49Å; V269-F271 HydrophobicContact CG1-CD2 3.9Å; V269-F271 HydrophobicContact CG1-CE2 3.33Å; V269-F271 HydrophobicContact CG1-CZ 3.69Å; V269-F271 WeakPolarHBondContact O-CD2 3.42Å
272Q96.4Very high80.6Confident104 Ų10479.9 Ų79.949%0.48641%0.413SS..EExtended strand (participates in β ladder)trans-113.6138176.7-174.4170.34.400110.2D43 H45D43-Q272 PolarHBondContact N-O 3.43Å; D43-Q272 PolarHBondContact O-N 3.41Å; H45-Q272 PolarHBondContact CE1-OE1 3.35Å
273M95.4Very high77.5Confident11 Ų1186.9 Ų86.95%0.05445%0.45CS..EExtended strand (participates in β ladder)trans-96.3134166.7-83.6173.753.300110.4V40 Y41 I42 I87 I94 E98 V101 I102V40-M273 HydrophobicContact CG1-CB 3.81Å; V40-M273 HydrophobicContact CG1-CE 3.8Å; V40-M273 HydrophobicContact CG1-CG 4.14Å; Y41-M273 CarbonylContact O-C 3.56Å; Y41-M273 VanDerWaalsContact O-CA 3.31Å; Y41-M273 WeakPolarHBondContact O-CA 3.39Å; I42-M273 HydrophobicContact CG1-CG 4.09Å; I87-M273 HydrophobicContact CD1-CE 3.91Å; I87-M273 HydrophobicContact CD1-SD 4.22Å; I94-M273 HydrophobicContact CG2-CE 3.65Å; E98-M273 HydrophobicContact CB-CE 3.72Å; E98-M273 HydrophobicContact CB-SD 4.15Å; E98-M273 HydrophobicContact CG-CB 4.21Å; E98-M273 HydrophobicContact CG-CE 3.75Å; E98-M273 HydrophobicContact CG-SD 3.82Å; V101-M273 HydrophobicContact CG1-SD 4.29Å; I102-M273 HydrophobicContact CD1-CB 4.19Å; I102-M273 HydrophobicContact CD1-CG 4.11Å; I102-M273 HydrophobicContact CD1-SD 4.17Å; I102-M273 HydrophobicContact CG1-CG 4.25Å; I102-M273 HydrophobicContact CG1-SD 4.03Å
274A94.1Very high74.8Confident32 Ų3290.9 Ų90.926%0.26448%0.484SS..EExtended strand (participates in β ladder)trans-131.5107.1-172.600000111.1V40 Y41V40-A274 WeakPolarHBondContact CA-O 3.35Å; Y41-A274 PolarHBondContact N-O 3.08Å; Y41-A274 PolarHBondContact O-N 2.84Å
275Y92.1Very high72.1Confident87 Ų8797.2 Ų97.234%0.34151%0.512SS..EExtended strand (participates in β ladder)trans-69.6128.1-179.4-68.4-103.1000111.3V40 F95 E98 K277V40-Y275 HydrophobicContact CG1-CD2 4.33Å; V40-Y275 HydrophobicContact CG1-CE2 4.32Å; V40-Y275 HydrophobicContact CG1-CG 4.49Å; V40-Y275 HydrophobicContact CG2-CD1 3.37Å; V40-Y275 HydrophobicContact CG2-CD2 4.36Å; V40-Y275 HydrophobicContact CG2-CE1 3.45Å; V40-Y275 VanDerWaalsContact CG2-CE1 3.45Å; V40-Y275 HydrophobicContact CG2-CE2 4.41Å; V40-Y275 HydrophobicContact CG2-CG 3.84Å; F95-Y275 VanDerWaalsContact CA-OH 3.28Å; F95-Y275 WeakPolarHBondContact CA-OH 3.37Å; F95-Y275 WeakPolarHBondContact CB-OH 3.28Å; E98-Y275 VanDerWaalsContact OE2-CE2 3.25Å; E98-Y275 WeakPolarHBondContact OE2-CE2 3.35Å; E98-Y275 PolarHBondContact OE2-OH 3.49Å; Y275-K277 PolarHBondContact O-N 3.18Å
276V89.3Confident69.2Low47 Ų47101.1 Ų101.129%0.28553%0.528SS..  trans-77.9113.8177.8-1790000109.3K39 Y41 D278K39-V276 HydrophobicContact CB-CB 4.26Å; K39-V276 HydrophobicContact CB-CG2 4.05Å; K39-V276 WeakPolarHBondContact O-CB 3.45Å; K39-V276 WeakPolarHBondContact O-CG2 3.22Å; K39-V276 PolarHBondContact O-N 3.38Å; Y41-V276 HydrophobicContact CD2-CG2 3.64Å; Y41-V276 HydrophobicContact CE1-CG2 4.37Å; Y41-V276 HydrophobicContact CE2-CG2 3.25Å; Y41-V276 HydrophobicContact CG-CG2 4.37Å; V276-D278 PolarHBondContact O-N 3.34Å
277K74.9Confident66.3Low199 Ų199104.4 Ų104.487%0.86555%0.55SS**  trans-73.6104.3167.8-65.4-175.6-179.8-177.40109.2Y275Y275-K277 PolarHBondContact O-N 3.18Å
278D61.5Low63.3Low111 Ų111107.7 Ų107.759%0.59456%0.558SS**  trans-57.9141.1166.8-82.2-28.5000110.5V276 L280V276-D278 PolarHBondContact O-N 3.34Å; D278-L280 HydrophobicContact CB-CD1 4.36Å; D278-L280 HydrophobicContact CB-CG 3.98Å; D278-L280 PolarHBondContact O-N 2.83Å
279K43.5Very low60.6Low213 Ų213110.3 Ų110.393%0.92657%0.57SS**  trans-79.158.7175.8-68.3-173.7176.6-177.10111.1V281K279-V281 PolarHBondContact O-N 3.25Å
280L41.7Very low57.5Low142 Ų142115.7 Ų115.774%0.74360%0.602SS**  trans-77.2107.5176.3-68.8175.1000110.7D278D278-L280 HydrophobicContact CB-CD1 4.36Å; D278-L280 HydrophobicContact CB-CG 3.98Å; D278-L280 PolarHBondContact O-N 2.83Å
281V34.4Very low54.5Low112 Ų112117.8 Ų117.868%0.67962%0.617SS**  trans31.5120.5144.4-170.20000117.2K279 N283K279-V281 PolarHBondContact O-N 3.25Å; V281-N283 PolarHBondContact O-N 3.09Å
282E30.8Very low51.3Low201 Ų201124.3 Ų124.394%0.93965%0.652SS**SBendtrans-58.34.7-177.8-70.5177.2122.800117.7
283N29.2Very low48.5Very low150 Ų150126.6 Ų126.680%0.80267%0.667SS**  trans-121.475.3-174.5-70.6-55.3000112.4V281V281-N283 PolarHBondContact O-N 3.09Å
284A33.3Very low45.5Very low89 Ų89134.2 Ų134.274%0.73670%0.702SS**SBendtrans-147.1130163.600000110.2
285E33.6Very low42.7Very low180 Ų180141.3 Ų141.384%0.84173%0.73SS**  trans-69.7139.3-167-62.8175.2125.700114T287E285-T287 VanDerWaalsContact C-N 3.34Å; E285-T287 PolarHBondContact O-N 2.9Å; E285-T287 PolarHBondContact O-OG1 3.23Å
286T28.7Very low40Very low124 Ų124144.3 Ų144.376%0.76175%0.752SS**  trans-68.180.6-173.2-44.20000113.1N288T286-N288 PolarHBondContact O-N 3.36Å; T286-N288 VanDerWaalsContact O-N 3.16Å
287T33.1Very low37.4Very low91 Ų91150.4 Ų150.456%0.55878%0.777SS**  trans-84.881.2175.524.30000110.7E285 F289E285-T287 VanDerWaalsContact C-N 3.34Å; E285-T287 PolarHBondContact O-N 2.9Å; E285-T287 PolarHBondContact O-OG1 3.23Å; T287-F289 PolarHBondContact O-N 2.85Å; T287-F289 VanDerWaalsContact O-N 3.08Å
288N31Very low35.6Very low141 Ų141146.1 Ų146.175%0.75477%0.772SS**  trans-63.6103.7174.9-75.7-23.5000111.3T286T286-N288 PolarHBondContact O-N 3.36Å; T286-N288 VanDerWaalsContact O-N 3.16Å
289F37Very low34.4Very low187 Ų187146.8 Ų146.882%0.8278%0.783SS**  trans-119.6109.5165.2-85.5-85.4000110.1T287T287-F289 PolarHBondContact O-N 2.85Å; T287-F289 VanDerWaalsContact O-N 3.08Å
290V32.5Very low34.2Very low118 Ų118141.9 Ų141.972%0.71578%0.775SS**  trans-87.2109.8172.5-174.90000107.8L292V290-L292 HydrophobicContact CG1-CD2 3.69Å; V290-L292 HydrophobicContact CG1-CG 3.88Å; V290-L292 PolarHBondContact O-N 2.6Å
291V34.4Very low34.3Very low128 Ų128140.4 Ų140.478%0.77677%0.774SS**  trans-79.993.6165.8-179.20000107.3L293V291-L293 PolarHBondContact O-N 3.39Å; V291-L293 VanDerWaalsContact O-N 3.11Å
292L31.4Very low34.6Very low143 Ų143141.3 Ų141.375%0.74978%0.782SS**  trans-71.599.9171.1-69.3175.2000109.1V290V290-L292 HydrophobicContact CG1-CD2 3.69Å; V290-L292 HydrophobicContact CG1-CG 3.88Å; V290-L292 PolarHBondContact O-N 2.6Å
293L35.7Very low35Very low152 Ų152141.4 Ų141.480%0.79678%0.779SS**  trans-72.4123.7149.4-66.7175.2000106.7V291 E295V291-L293 PolarHBondContact O-N 3.39Å; V291-L293 VanDerWaalsContact O-N 3.11Å; L293-E295 PolarHBondContact O-N 3.03Å
294E34.3Very low35.6Very low172 Ų172139.7 Ų139.780%0.80478%0.78SS**  trans-7096.4-170.9-65.1-176.3137.900112.2N296E294-N296 PolarHBondContact O-N 3.27Å; E294-N296 VanDerWaalsContact O-N 3.16Å; E294-N296 PolarHBondContact O-ND2 3.19Å
295E34Very low35.8Very low180 Ų180145.5 Ų145.584%0.84179%0.788SS**  trans-61115.1164.1-66.7-165.2127.200109.2L293 E297L293-E295 PolarHBondContact O-N 3.03Å; E295-E297 PolarHBondContact O-N 3.01Å
296N34.7Very low36.2Very low150 Ų150142.4 Ų142.480%0.80279%0.786SS**  trans-77.366.3178.4-91.3-102.3000111.1E294 S298E294-N296 PolarHBondContact O-N 3.27Å; E294-N296 VanDerWaalsContact O-N 3.16Å; E294-N296 PolarHBondContact O-ND2 3.19Å; N296-S298 PolarHBondContact O-N 3.28Å; N296-S298 VanDerWaalsContact O-N 3.14Å
297E35.7Very low36.7Very low175 Ų175142.7 Ų142.782%0.81879%0.791SS**  trans-61.8112.7168.2-80.9-148.2103.100110.3E295E295-E297 PolarHBondContact O-N 3.01Å
298S36.1Very low36.7Very low109 Ų109141.9 Ų141.976%0.76280%0.8SS**PPolyproline II helixtrans-76.4123.5175.2-64.20000109.9N296 S300N296-S298 PolarHBondContact O-N 3.28Å; N296-S298 VanDerWaalsContact O-N 3.14Å; S298-S300 PolarHBondContact O-N 3.05Å
299P38.2Very low37.1Very low126 Ų126141.5 Ų141.582%0.81881%0.805SS**PPolyproline II helixtrans-68.8118.4-168.925.8-34.6000112.4
300S38Very low37Very low109 Ų109141.4 Ų141.476%0.76281%0.807SS**PPolyproline II helixtrans-71.5138.4171.574.50000111.2S298S298-S300 PolarHBondContact O-N 3.05Å
301P44.8Very low37.4Very low112 Ų112140.9 Ų140.973%0.72781%0.806SS**PPolyproline II helixtrans-72.1146.2-174.628.2-34.9000112.4K303P301-K303 PolarHBondContact O-N 3.25Å
302P40.9Very low37.6Very low130 Ų130141.1 Ų141.184%0.84481%0.809SS**PPolyproline II helixtrans-68.5128.8-17527.5-34.8000112S304P302-S304 PolarHBondContact O-N 3.45Å
303K38.4Very low37.8Very low203 Ų203143 Ų14388%0.88381%0.813SS**PPolyproline II helixtrans-70.5122.4171.2-69.2179.7179.3175.60110.1P301P301-K303 PolarHBondContact O-N 3.25Å
304S41.9Very low37.9Very low115 Ų115145 Ų14580%0.80482%0.818SS**PPolyproline II helixtrans-63.1136.1168.442.20000110.8P302P302-S304 PolarHBondContact O-N 3.45Å
305K37.6Very low38.2Very low210 Ų210142.9 Ų142.991%0.91382%0.817SS**PPolyproline II helixtrans-91.7133.6167.7-70.7-178.3178.2178.50109.1
306S41.7Very low38.2Very low115 Ų115139 Ų13980%0.80482%0.816SS**  trans-137.1140.3161.8-61.80000108.4
307P38.9Very low38.3Very low131 Ų131136.6 Ų136.685%0.85181%0.811SS**  trans-118.1135.5-158.234.9-19.8000116.1
308G34.5Very low38.4Very low74 Ų74133.3 Ų133.376%0.76381%0.807SS**  trans78.1174.7162.100000116.7
309P37.6Very low38.8Very low132 Ų132136 Ų13686%0.85781%0.812SS**  cis-109.9-179.22.939.9-31.3000115.1
310Q36.6Very low38.9Very low185 Ų185135.5 Ų135.586%0.86481%0.808SS**  trans-108.5-157.7170.2-66-174-64.200110
311P39.8Very low39.1Very low107 Ų107134.5 Ų134.570%0.69581%0.807SS**  -129.9175.8-80.139.7-24.4000114.5
312T38.2Very low39Very low134 Ų134134.3 Ų134.382%0.82281%0.805SS**  trans-144.7132.9150.440.60000106.6
313E35.4Very low38.9Very low182 Ų182134.6 Ų134.685%0.8580%0.799SS**  cis72.396.749.4-67.9-150144.800115.1
314E39Very low38.9Very low193 Ų193134 Ų13490%0.90280%0.796SS**  trans172.1159.9137.6-96.7-176.6173.500109
315V40.2Very low38.3Very low128 Ų128137.9 Ų137.978%0.77680%0.799SS**  cis-172.3118.5-46.1137.30000105.7
316A34.1Very low38.4Very low98 Ų98133.3 Ų133.381%0.8179%0.791SS**  trans41.5172.9149.800000125
317S36.9Very low38Very low100 Ų100138.4 Ų138.470%0.69979%0.792SS**  trans71115.4173.9-1480000116.7
318S38Very low37.8Very low106 Ų106138.8 Ų138.874%0.74179%0.787SS**  cis77.4118.637-51.20000115.1
319I43.5Very low38Very low167 Ų167141.6 Ų141.686%0.85679%0.789SS**  trans171.7150.3139.6-92.4160.2000110.1
320P41.7Very low37.8Very low114 Ų114141.9 Ų141.974%0.7478%0.783SS**  trans-140.4-172.7-141.441.7-22.5000118.3
321A42.3Very low38Very low89 Ų89140.9 Ų140.974%0.73678%0.783SS**  trans87.9174.6143.300000118.1
322P42.3Very low38Very low108 Ų108144.7 Ų144.770%0.70179%0.792SS**  -140.5-169.7-115.129.3-2.2000115.7
323L39Very low38Very low136 Ų136141.9 Ų141.971%0.71279%0.789SS**  trans134.4139.8132.2-72.8168.6000118.5
324K36.8Very low38.1Very low189 Ų189140.6 Ų140.682%0.82279%0.788SS**  trans80.4130.7143.2-75164.4-176.9177.50122.5
325K30.8Very low37.9Very low197 Ų197137 Ų13786%0.85778%0.78SS**  trans-68.6177.1160.8-56.6176.4178.8179.10110.1
326P38.6Very low37.9Very low115 Ų115135.7 Ų135.775%0.74777%0.774SS**  cis-156.4178.927.545.8-24000121.3
327R33.7Very low37.9Very low221 Ų221140.3 Ų140.383%0.83478%0.776SS**  trans57.5130.2142.7-94.1-174.9164.7174.8-5.2123.3
328L34.2Very low37.8Very low140 Ų140141 Ų14173%0.73378%0.781SS**  trans67.3162.7148.2-61.4165.5000114.8
329V38.9Very low37.7Very low133 Ų133140.2 Ų140.281%0.80678%0.78SS**  cis-134.2174.324.2-175.40000111.3
330D34.5Very low37.1Very low138 Ų138141.6 Ų141.674%0.73878%0.78SS**  trans-74.9169.4-177.8-39.8-99.7000115.4
331D40.9Very low37Very low163 Ų163143.3 Ų143.387%0.87278%0.782SS**  trans-154.6164.7155.2-144.9-52000110.5
332E39.7Very low36.5Very low187 Ų187146.5 Ų146.587%0.87479%0.787SS**  trans-119.9168.1-154.5-65.3-167.784.500117.4
333G38.3Very low36.1Very low75 Ų75145.2 Ų145.277%0.77379%0.794SS**  trans104.3145151.700000117.4
334D37Very low35.8Very low155 Ų155145.4 Ų145.483%0.82980%0.8SS**  cis-155.5-177.4-14.2-161-6.7000109.3
335T34.4Very low36Very low117 Ų117141.2 Ų141.272%0.71879%0.793SS**  trans-119-159.8-171.967.20000110.3
336P40.8Very low36.4Very low102 Ų102138.1 Ų138.166%0.66279%0.79SS**  cis-135.4174.9-19.637.3-18.6000115.8
337K33.6Very low36.1Very low195 Ų195142.5 Ų142.585%0.84879%0.792SS**  trans44.3126.2140-69.7170.4-177.4170.50123.3
338S35Very low36.2Very low114 Ų114138.7 Ų138.780%0.79779%0.788SS**  86.4122.6126.7-67.10000124.1
339A35.6Very low36.4Very low89 Ų89136.4 Ų136.474%0.73678%0.78SS**  82.7117.9127.700000123.9
340K32.2Very low36.2Very low197 Ų197137.2 Ų137.286%0.85778%0.78SS**  trans74.6150.8134.5-83-174.1175.9-179.50122.2
341L39.3Very low36.3Very low149 Ų149135.8 Ų135.878%0.7878%0.778SS**  trans87.6111.7152.8-76157.2000121.3
342N30.5Very low36.1Very low157 Ų157135.2 Ų135.284%0.8478%0.781SS**  trans5.2135.4144-53.2-1.6000120.4
343G34.6Very low35.8Very low81 Ų81130.4 Ų130.484%0.83577%0.773SS**  trans-168.3102.3162.800000114.6
344T31.8Very low35.8Very low139 Ų139132.5 Ų132.585%0.85377%0.773SS**  trans-115.2172.916620.40000108.9
345P43Very low35.4Very low102 Ų102132 Ų13266%0.66277%0.771SS**  cis-134.9-152.7-1326.9-1000112.2
346T37.6Very low35.6Very low131 Ų131132 Ų13280%0.80477%0.773SS**  trans79.9153.616072.40000118.3
347R33.6Very low35.1Very low208 Ų208132.7 Ų132.779%0.78577%0.771SS**  cis-174.1141.1-21.1161.7-177.5175.5-174.60.6110
348N35.4Very low34.9Very low141 Ų141134.5 Ų134.575%0.75477%0.772SS**  trans179.1126.7145.7-93.3-6.3000108.2
349T37.9Very low34.7Very low91 Ų91132.7 Ų132.756%0.55876%0.76SS**  62.5133.768.268.40000113.7
350N34.3Very low34.3Very low151 Ų151134.1 Ų134.181%0.80776%0.759SS**  cis-152.8166.610.6-13022.4000112
351P37.5Very low34.2Very low108 Ų108134.5 Ų134.570%0.70176%0.761SS**  trans-108.6157.9-174.139.6-32.7000115.6
352T36.7Very low33.8Very low150 Ų150132.1 Ų132.192%0.9276%0.755SS**  trans-151.5153160.7-28.50000111.1
353A33.9Very low34.1Very low87 Ų87132.4 Ų132.472%0.71976%0.756SS**  trans-136.2-175.1175.200000108.5
354P37.6Very low33.9Very low118 Ų118133.2 Ų133.277%0.76676%0.755SS**  cis-133.5-158-1.542.1-22000114.1
355D29.3Very low33.9Very low146 Ų146130.9 Ų130.978%0.78175%0.75SS**  trans-61.4-176.7176.1-49.6-87.1000114.8
356P37.4Very low33.5Very low117 Ų117134 Ų13476%0.7676%0.761SS**  cis-147.3-179.41045.9-26.4000119.6
357N30.3Very low33.2Very low116 Ų116132.6 Ų132.662%0.6276%0.763SS**  trans67.8112142.6-16935.9000120.7
358W29.9Very low33.3Very low232 Ų232131.7 Ų131.788%0.87977%0.768SS**  -167.3164.2114-122.1-75.8000114.5
359S29.7Very low33.3Very low77 Ų77131.5 Ų131.554%0.53877%0.767SS.*  trans-62.5146.1-167.262.20000120.2
360T28.5Very low33.4Very low118 Ų118136.6 Ų136.672%0.72478%0.784SS**  43118.8120.2-42.60000120.7
361F30Very low33.5Very low205 Ų205139.2 Ų139.290%0.89979%0.789SS**  trans-134.2133146.5-90.9-83.9000111.2
362P31.1Very low33.3Very low100 Ų100144.7 Ų144.765%0.64980%0.795SS**  trans-97.2153.7-178.137-34.2000113.4
363N35Very low33.2Very low162 Ų162142 Ų14287%0.86679%0.789SS**  trans-138.5103.3159.1-87.2-56.7000108.9
364A30.8Very low33.4Very low98 Ų98147.2 Ų147.281%0.8180%0.798SS**  80.944.86500000115.1
365A32.1Very low33.1Very low91 Ų91152.8 Ų152.875%0.75280%0.804SS**  trans-135.535.5175.700000114.4
366N34.9Very low33.4Very low166 Ų166153.8 Ų153.889%0.88881%0.807SS**  trans-153.742.9179.8-113.8-40.6000115.3
367A32.2Very low33.2Very low103 Ų103156 Ų15685%0.85181%0.812SS**SBendtrans-124.830.9-170.400000115.7
368Q35.1Very low33.2Very low189 Ų189161.6 Ų161.688%0.88382%0.824SS**SBendtrans-138.7-9.9-178.4-106.3173.6-3.700117.6
369N35.7Very low33.6Very low137 Ų137159.4 Ų159.473%0.73382%0.824SS**G310 helixtrans-89.9-5.9-172-113.3-20.8000115.9K371N369-K371 VanDerWaalsContact C-N 3.27Å; N369-K371 PolarHBondContact O-N 3.07Å
370Q39.4Very low33.8Very low197 Ų197161.3 Ų161.392%0.92183%0.834SS**G310 helixtrans-76.41.2-173.8-74.7-176.8-17.900115.8
371K36.9Very low34Very low207 Ų207164.5 Ų164.590%0.984%0.841SS**G310 helixtrans-11411.1-178.6-72.2-171.5176.2-179.90115.8N369N369-K371 VanDerWaalsContact C-N 3.27Å; N369-K371 PolarHBondContact O-N 3.07Å
372R32.9Very low34Very low222 Ų222165.1 Ų165.184%0.83884%0.839SS**SBendtrans-113.22-178.4-144.1173.6-174.5179.51.2115.8Q374R372-Q374 PolarHBondContact O-N 3.04Å
373A35.2Very low34.3Very low95 Ų95165.7 Ų165.779%0.78584%0.84SS**  trans-86.4-0-168.500000116.7
374Q37.4Very low34.5Very low195 Ų195162.6 Ų162.691%0.91183%0.829SS**SBendtrans-105.324.5-171.6-71-174-23.600115.1R372R372-Q374 PolarHBondContact O-N 3.04Å
375R31.3Very low34.8Very low235 Ų235163.9 Ų163.989%0.88783%0.829SS**  trans-132.119-172.4-125.5179.7-161.7178.76.3117.8
376I36.7Very low35.1Very low167 Ų167168.3 Ų168.386%0.85683%0.834SS**  trans-125.374.1171-50.4-178.2000109.3
377L33.2Very low35.1Very low165 Ų165171.3 Ų171.386%0.86483%0.833SS**  trans-131.872.9173.2-99.6171.9000109.3
378R30Very low35.4Very low232 Ų232171.7 Ų171.788%0.87583%0.83SS**  trans172.8111.7164.3-96.9148.8-166.5-120.23.6109.8
379H37.8Very low35.3Very low187 Ų187170.1 Ų170.187%0.86683%0.828SS**  trans-178.5160.5134.7-98.4-69.6000108
380P34.9Very low35.7Very low116 Ų116170 Ų17075%0.75383%0.831SS**  trans-90.7171.9-142.3-1130.6000115.5
381Q31.7Very low35.6Very low186 Ų186166.3 Ų166.387%0.86982%0.824SS**  trans-60.1130.7175.4-65161.3-18.600111.3
382Y30.4Very low35.2Very low217 Ų217168 Ų16885%0.85183%0.825SS**  trans-103108.5168.1-171.1-89.1000109.1
383T36.9Very low35.6Very low112 Ų112163.1 Ų163.169%0.68783%0.825SS**PPolyproline II helixtrans-98.5126.1-177.6-49.90000109.6
384P39.5Very low35.7Very low97 Ų97165.9 Ų165.963%0.6382%0.822SS**PPolyproline II helixtrans-68.4150.3177.629.2-34.9000111.3Q386P384-Q386 PolarHBondContact O-N 3.3Å
385P37.7Very low35.5Very low126 Ų126162.9 Ų162.982%0.81882%0.817SS**PPolyproline II helixtrans-69.3120-174.126.9-34.3000112.3
386Q36.7Very low36Very low183 Ų183157.7 Ų157.786%0.85581%0.813SS**PPolyproline II helixtrans-64.7129165.5-83.2-91.7-20.800110P384 S388P384-Q386 PolarHBondContact O-N 3.3Å; Q386-S388 PolarHBondContact O-N 3.18Å
387R36.3Very low36.1Very low229 Ų229153.7 Ų153.786%0.86481%0.814SS**PPolyproline II helixtrans-67.6126.6165.9-82.8-172.7170.2-161.4-2.2109.2N389R387-N389 PolarHBondContact O-N 3.06Å
388S37.7Very low36.1Very low112 Ų112149.1 Ų149.178%0.78381%0.806SS**PPolyproline II helixtrans-68.6117.1174.139.40000111.2Q386Q386-S388 PolarHBondContact O-N 3.18Å
389N33.9Very low36.3Very low156 Ų156147.9 Ų147.983%0.83481%0.808SS**PPolyproline II helixtrans-77.2123.8167.7-78.1-44.9000109.6R387R387-N389 PolarHBondContact O-N 3.06Å
390V42.4Very low36.7Very low134 Ų134143.4 Ų143.481%0.81280%0.795SS**PPolyproline II helixtrans-78.5124.4175.7-179.50000109.5
391P37.1Very low36.7Very low119 Ų119145.3 Ų145.377%0.77379%0.792SS**PPolyproline II helixtrans-75.8135.1177.930.5-33.7000111.4
392R30.1Very low36.9Very low244 Ų244144.9 Ų144.992%0.92179%0.787SS**  trans-100.7102.9-178.2-174-178.2-171.8175.73.7110.6
393S40Very low37.3Very low119 Ų119140.9 Ų140.983%0.83278%0.778SS**  trans-81165.2169.953.50000112
394Q38.1Very low37.4Very low153 Ų153140.8 Ų140.872%0.71578%0.782SS**  trans-127126.2-169.8-59.6176.3-12.200111
395T34Very low37.3Very low132 Ų132143.3 Ų143.381%0.8179%0.79SS**  trans45.7168.8137.455.50000121.9
396P40.8Very low37.7Very low125 Ų125142.1 Ų142.181%0.81278%0.782SS**  cis-128.5171.9-5.533.1-13.7000116
397G38.3Very low37.8Very low84 Ų84144.5 Ų144.587%0.86678%0.784SS**  trans100.9141.7159.800000116.3
398G33.2Very low37.9Very low68 Ų68141.3 Ų141.370%0.70178%0.783SS**  cis174.4145.1-11.700000115.1
399F35.1Very low37.9Very low207 Ų207144.3 Ų144.391%0.90879%0.786SS**  trans73.7152.2163.8-78.9-93.5000118.4
400P46.4Very low38.2Very low92 Ų92142.3 Ų142.360%0.59778%0.782SS**  -146.9-147-120.142.9-18.9000115.6
401F34Very low38.4Very low157 Ų157141.9 Ų141.969%0.68978%0.782SS**  trans79.3151.2-180-67.1-85.9000115.5
402F36.5Very low38.3Very low177 Ų177142.7 Ų142.778%0.77679%0.785SS**  cis-127.4-18011.9-125-81.2000114.4
403M37.5Very low38.6Very low132 Ų132136 Ų13665%0.6578%0.775SS**  trans-69.3166.1-174.9-57.7175.1-178.600113.4
404S39.3Very low38.3Very low110 Ų110136 Ų13677%0.76977%0.77SS**  -166.1116.150.2-56.90000117.6
405N38.1Very low38Very low151 Ų151134.5 Ų134.581%0.80777%0.774SS**  60.1161.6114-99.50.7000123.7
406P46.9Very low38Very low101 Ų101134.8 Ų134.866%0.65678%0.776SS**  -143.9-169.4-126.444.9-23.9000116.3
407R38.4Very low37.3Very low233 Ų233140.8 Ų140.888%0.87978%0.782SS**  trans168.7154.1142.6-94.2160.6-169.5-145.80.9109.3
408L38.3Very low36.9Very low162 Ų162141.1 Ų141.185%0.84878%0.777SS**  cis-138.3-179.812.2-113.7146.7000111.1
409M38.6Very low36.6Very low174 Ų174143.4 Ų143.486%0.85778%0.78SS**  trans-118.1158.1-163.8-59.7-177.773.900115.6
410P39.9Very low36.3Very low114 Ų114138.4 Ų138.474%0.7478%0.777SS**  trans-97.8168.2167.539.6-34.9000113.4
411P46.4Very low35.5Very low126 Ų126141.4 Ų141.482%0.81878%0.784SS**  trans-94.9155.816936.1-32.4000114.1
412T33.7Very low35.2Very low136 Ų136141.9 Ų141.983%0.83479%0.794SS**  trans-83.1177168.358.60000110.2
413S36.3Very low35Very low102 Ų102140.3 Ų140.371%0.71379%0.792SS**  cis-154.2174.310.249.70000107.1
414T34.1Very low34.9Very low119 Ų119141.1 Ų141.173%0.7379%0.794SS**  cis-156168.33844.30000111.1
415P32.1Very low34.4Very low123 Ų123140.4 Ų140.480%0.79979%0.788SS**  trans-93.1136178.434.7-32.2000113.8
416T33.4Very low34.1Very low138 Ų138136.8 Ų136.885%0.84779%0.786SS**  trans-136.5137.9165.1-54.80000112
417R27.5Very low33.2Very low250 Ų250137.9 Ų137.994%0.94379%0.786SS**  trans-80.8119.9-169.8172.3-173.2-179.1-176.31.1112.5
418A29Very low33Very low92 Ų92130.4 Ų130.476%0.7676%0.763SS**  trans-139.8151.9168.900000111
419P28.3Very low32.7Very low115 Ų115128.5 Ų128.575%0.74775%0.752SS**  trans-90.6173.6-165.936.6-37.3000114.7M421P419-M421 PolarHBondContact O-N 3.3Å
420A27.5Very low32.4Very low103 Ų103124 Ų12485%0.85173%0.731SS**  trans-60.1128.617800000113
421M29.8Very low32.1Very low154 Ų154122.5 Ų122.576%0.75972%0.718SS**  trans-103.895.4174.8-87.8-76.3165.100110.8P419 L423P419-M421 PolarHBondContact O-N 3.3Å; M421-L423 PolarHBondContact O-N 2.86Å; M421-L423 HydrophobicContact SD-CD1 4.07Å; M421-L423 HydrophobicContact SD-CG 4.34Å
422L28.4Very low31.4Very low168 Ų168125.3 Ų125.388%0.8872%0.72SS**  trans-74.2103.6163.5-89.8163.4000109
423L30.9Very low31.3Very low143 Ų143124 Ų12475%0.74971%0.711SS**  trans-131.688.2174.5-75.2173.2000110.9M421 P425M421-L423 PolarHBondContact O-N 2.86Å; M421-L423 HydrophobicContact SD-CD1 4.07Å; M421-L423 HydrophobicContact SD-CG 4.34Å; L423-P425 WeakPolarHBondContact O-CD 3.45Å
424Q35.5Very low30.9Very low149 Ų149122.7 Ų122.770%0.69670%0.702SS**  trans-89.8112.2161.1-76.7-173-30.900109.5G426Q424-G426 PolarHBondContact O-N 3.37Å
425P30.4Very low30.6Very low96 Ų96123.9 Ų123.962%0.62370%0.704SS**THydrogen-bonded Turntrans-80.4113165.731.3-30000109.4L423L423-P425 WeakPolarHBondContact O-CD 3.45Å
426G30.8Very low30.5Very low75 Ų75123.6 Ų123.677%0.77370%0.7SS**THydrogen-bonded Turntrans13117.1168.400000118.6Q424 N428Q424-G426 PolarHBondContact O-N 3.37Å; G426-N428 VanDerWaalsContact C-N 3.33Å; G426-N428 PolarHBondContact O-N 3.23Å
427L27.9Very low30.3Very low124 Ų124124.1 Ų124.165%0.64970%0.697SS**  trans-7186.5168.5-78175.2000111.3I429L427-I429 VanDerWaalsContact C-N 3.34Å; L427-I429 HydrophobicContact CB-CG1 4.35Å; L427-I429 PolarHBondContact O-N 3.07Å
428N34.3Very low30.6Very low76 Ų76117.5 Ų117.541%0.40668%0.684SS.*  trans-71.192.8160.2-179.8-12.6000108.8G426 N430 N431G426-N428 VanDerWaalsContact C-N 3.33Å; G426-N428 PolarHBondContact O-N 3.23Å; N428-N430 PolarHBondContact O-N 3.32Å; N428-N430 PolarHBondContact OD1-N 2.78Å; N428-N431 PolarHBondContact O-N 3.11Å
429I31.3Very low30.7Very low122 Ų122118.9 Ų118.963%0.62669%0.686SS**G310 helixtrans-63.4-23.8-173.9-72.1170.1000112.7L427 N431L427-I429 VanDerWaalsContact C-N 3.34Å; L427-I429 HydrophobicContact CB-CG1 4.35Å; L427-I429 PolarHBondContact O-N 3.07Å; I429-N431 PolarHBondContact O-N 2.93Å; I429-N431 VanDerWaalsContact O-N 3.12Å
430N33.6Very low30.9Very low78 Ų78119.2 Ų119.242%0.41769%0.688SS.*G310 helixtrans-70.3-6-179.6-84.84.4000114.5S160 N428S160-N430 PolarHBondContact O-ND2 2.77Å; N428-N430 PolarHBondContact O-N 3.32Å; N428-N430 PolarHBondContact OD1-N 2.78Å
431N33.2Very low30.9Very low84 Ų84119.6 Ų119.645%0.44968%0.684SS.*G310 helixtrans-103.38-177.8-134.56.4000115N428 I429N428-N431 PolarHBondContact O-N 3.11Å; I429-N431 PolarHBondContact O-N 2.93Å; I429-N431 VanDerWaalsContact O-N 3.12Å
432Q31.8Very low30.8Very low184 Ų184119.9 Ų119.986%0.8669%0.689SS**THydrogen-bonded Turntrans-127.9-9.1173.8-69.9-163.4-0.200116.1
433V30.5Very low31Very low108 Ų108121.4 Ų121.466%0.65569%0.691SS**  trans-108.778.9174.7-168.20000110.7
434S27.8Very low31Very low76 Ų76123.7 Ų123.753%0.53170%0.698SS.*  trans-132.732.9173.6-108.30000113R164R164-S434 PolarHBondContact NH2-OG 3.37Å
435N29Very low30.5Very low144 Ų144124.2 Ų124.277%0.7771%0.706SS**SBendtrans-131.9124.5173.2-80.1-40.6000110.5
436V30.5Very low30.5Very low117 Ų117127.2 Ų127.271%0.70972%0.715SS**  trans48.999.7155.8-167.70000117.6
437L27.7Very low30.3Very low148 Ų148128.9 Ų128.978%0.77572%0.715SS**  trans-117.459.7155.5-82.6175.6000110.7
438T33.3Very low30.3Very low111 Ų111131.6 Ų131.668%0.68173%0.726SS**  trans-142.598.6164.842.30000108.6
439P33Very low30Very low122 Ų122139.5 Ų139.579%0.79275%0.75SS**PPolyproline II helixtrans-73.8131.7174.629.8-32000109.7S441P439-S441 PolarHBondContact O-N 3.22Å
440P32Very low29.7Very low122 Ų122141.8 Ų141.879%0.79276%0.763SS**PPolyproline II helixtrans-67.9125.7169.528.2-32.4000109.5
441S27.9Very low29.6Very low111 Ų111143.3 Ų143.378%0.77678%0.777SS**SBendtrans-59.8146.1169.451.80000111.1P439P439-S441 PolarHBondContact O-N 3.22Å
442N27.8Very low29.4Very low159 Ų159148.2 Ų148.285%0.8580%0.8SS**  trans67.992.9-171.2-72.3-30000116.2
443Q32.7Very low29.6Very low200 Ų200145.5 Ų145.594%0.93580%0.796SS**  -158166115.1-107.2167.124.800111.6
444Q31Very low29.7Very low191 Ų191145.7 Ų145.789%0.89380%0.799SS**  trans-90.4158.9-160-68.4171-37.900114.4I446Q444-I446 PolarHBondContact O-N 3.14Å
445N24.6Very low29.9Very low160 Ų160148 Ų14886%0.85681%0.812SS**  trans-55.9127.8-179-68.7-45.8000114
446I30.7Very low30.3Very low159 Ų159149.7 Ų149.782%0.81582%0.815SS**  trans-131.8109.1149.8-60.4-176.3000108.3Q444Q444-I446 PolarHBondContact O-N 3.14Å
447S25.3Very low30.6Very low110 Ų110151.8 Ų151.877%0.76982%0.822SS**  trans-78133.6178.7-58.80000111.6
448M27.9Very low30.8Very low181 Ų181152.5 Ų152.589%0.89282%0.821SS**  trans-119.6113.3161.8-69.5-149.3-68.200110.8
449R28Very low31Very low242 Ų242156.2 Ų156.291%0.91383%0.831SS**PPolyproline II helixtrans-79.4133.6168.5-79179.2168173.2-4.4109.5
450L25.3Very low31.3Very low170 Ų170156.1 Ų156.189%0.8983%0.83SS**PPolyproline II helixtrans-80.6123.1162-72.7165.3000109.2
451P30.8Very low31.5Very low111 Ų111156.2 Ų156.272%0.72183%0.83SS**PPolyproline II helixtrans-84.7120.3176.431.8-31.5000111.4
452M30.7Very low31.9Very low187 Ų187159.5 Ų159.592%0.92183%0.834SS**PPolyproline II helixtrans-76.5133.5163.4-72.3-85.5-80.400109.2
453V34.5Very low32.4Very low127 Ų127157 Ų15777%0.7783%0.828SS**  trans-122.2114.5-179.3179.80000110.5
454P34.3Very low32.5Very low112 Ų112156.3 Ų156.373%0.72783%0.827SS**  trans-82.6150.6165.934-32.3000110.9
455P31.7Very low33Very low124 Ų124152.1 Ų152.181%0.80582%0.817SS**  trans-91.7119-172.733.5-32.8000113.3
456Q37.2Very low33.5Very low180 Ų180151.9 Ų151.984%0.84181%0.811SS**  trans-143.3131.2156-76.1-157.8-4.400113.2
457L35.4Very low33.7Very low161 Ų161156.1 Ų156.184%0.84382%0.816SS**  trans51.5129.9148.2-69.5159000120.9
458Q33.7Very low34.2Very low162 Ų162158.8 Ų158.876%0.75782%0.819SS**  trans-83.7144.4177.3-59.2146.1-84.100111.5
459Q37.2Very low35.1Very low190 Ų190155.6 Ų155.689%0.88881%0.812SS**  -169.3159.2110.9-99172.526.600111.7
460P38.8Very low35.6Very low120 Ų120150 Ų15078%0.77981%0.809SS**  trans-100.7167.9-160.538.6-35.5000115.8
461P34.9Very low36.1Very low123 Ų123149 Ų14980%0.79981%0.805SS**  trans-107.2172.4-166.541.2-36.3000115.6
462Q37.9Very low37Very low181 Ų181148.5 Ų148.585%0.84680%0.802SS**  trans-141.7139.1161.8-67.3-168-8.900112.8
463S37Very low38Very low105 Ų105145.6 Ų145.673%0.73480%0.797SS**  trans49.2148.3143.263.30000122.3
464M36Very low38.3Very low186 Ų186143 Ų14392%0.91680%0.796SS**  cis-162.2173.3-15.4-114-155.3166.800109.1
465P40.8Very low38.6Very low104 Ų104145.9 Ų145.968%0.67580%0.802SS**  trans-107.5-177.8-165.841-35.9000116
466Q35.6Very low38.9Very low154 Ų154146.5 Ų146.572%0.7280%0.798SS**  trans124.1117.9154.6-71.2-76.72.300115.7
467R34.5Very low38.9Very low248 Ų248143.9 Ų143.994%0.93679%0.79SS**  -171.6143.3110.8-103.5178.7-178.4-1620.2115.8
468M36Very low38.9Very low166 Ų166140.9 Ų140.982%0.81878%0.778SS**  trans-52.6173.9-178-77.9-78.7178.500119.6
469P46Very low39.1Very low115 Ų115140.4 Ų140.475%0.74778%0.781SS**  trans-111.6-173.5-166.744.3-36.6000115.7
470S39.3Very low38.8Very low123 Ų123139.8 Ų139.886%0.8678%0.778SS**  trans-143.5173.4163.359.60000111.8
471N36.2Very low39Very low151 Ų151138.7 Ų138.781%0.80777%0.771SS**  trans-146-159.5-155.9-155.524.3000112.2
472P50.1Low39Very low99 Ų99141.8 Ų141.864%0.64378%0.777SS**  -107.6-134.8-105.543-25.7000112.2
473P50.1Low38.8Very low126 Ų126137 Ų13782%0.81878%0.776SS**  cis-130.6-177.8-29.138-20.8000115
474G41.2Very low38.3Very low74 Ų74136 Ų13676%0.76378%0.782SS**  trans-163.779.6174.100000118.8
475M40.3Very low38.1Very low171 Ų171130.4 Ų130.484%0.84277%0.773SS**  trans51.3128.4140.5-76.9-167.3155.900126.8
476L38.8Very low37.7Very low138 Ų138134.8 Ų134.872%0.72378%0.781SS**  trans74.8142.2134.6-65.2169.5000120.3
477N36.1Very low37.5Very low125 Ų125134 Ų13467%0.66878%0.782SS**  cis-154.9157.9-1.9-148.411.9000114.2
478T36.4Very low37.4Very low98 Ų98129.6 Ų129.660%0.60178%0.776SS**  trans16.2152.2150.452.90000123.1
479N37Very low37Very low152 Ų152128.7 Ų128.781%0.81378%0.775SS**  cis-161.2-179.214.6-121.6-12000114.3
480Q32.2Very low36.4Very low176 Ų176131.4 Ų131.482%0.82278%0.781SS**  trans-138-160.8-178.8-115.8-161.78.300110.4
481P43.6Very low36Very low97 Ų97134.1 Ų134.163%0.6378%0.78SS**  -132.8-162.7-61.838.8-19.7000114.5
482M33.3Very low36.2Very low188 Ų188132 Ų13293%0.92678%0.775SS**  trans89.9146.4153.6-70.4-75.5-168.800123.5
483G33.5Very low35.7Very low81 Ų81132.4 Ų132.484%0.83578%0.778SS**  trans101.4143165.300000116.6
484G28.2Very low34.8Very low84 Ų84134.8 Ų134.887%0.86678%0.777SS**  cis155.7118.9-13.900000115.1
485G32Very low34.4Very low69 Ų69139.1 Ų139.171%0.71178%0.783SS**  trans95.7165.8171.400000116.7
486F32.3Very low34Very low196 Ų196139.4 Ų139.486%0.8678%0.782SS**  cis-156.2166.7-10.4-123.8-80.7000111.4
487L30.7Very low34.1Very low138 Ų138138.2 Ų138.272%0.72378%0.783SS**  trans-26.3154175.7-66.8170000118.9
488N32.9Very low34.1Very low155 Ų155138 Ų13883%0.82979%0.788SS**  -165.6166.867.1-129.6-16.9000118
489N26.1Very low33.7Very low147 Ų147139 Ų13979%0.78679%0.79SS**  trans-98.4167177-96.2-20.5000113.2
490I34.2Very low33.4Very low172 Ų172144 Ų14488%0.88280%0.797SS**  trans-167.7146.7140.6-100.3150000112.3
491Q30.8Very low33.3Very low180 Ų180142.3 Ų142.384%0.84179%0.79SS**  trans-167.1176.2179.7-126.2-163.6-28.600108.5
492P41.6Very low32.6Very low106 Ų106145.1 Ų145.169%0.68880%0.796SS**  cis-111.1-102.3-19.932.6-11000110.8
493P38.8Very low32.6Very low108 Ų108144.4 Ų144.470%0.70179%0.794SS**  cis-126.5-179.1-12.942.5-25000117
494H31.2Very low32.6Very low176 Ų176146 Ų14682%0.81579%0.79SS**  trans-16.4143.2164.5-70.7-80.4000123.8
495N33.6Very low32.9Very low165 Ų165145.9 Ų145.988%0.88279%0.789SS**  -156.9173.4105.4-134.1-19.3000113.9
496Q30.2Very low32.8Very low177 Ų177146.1 Ų146.183%0.82779%0.791SS**  trans-123.6167.2-173.9-98.5-173.5-16.700115.1
497P40.9Very low33.1Very low113 Ų113143.5 Ų143.573%0.73479%0.794SS**  trans-116.2170.7-168.942.8-34.2000116.5
498P37.4Very low33.2Very low119 Ų119140.9 Ų140.977%0.77380%0.8SS**  trans-113.2135.2150.433.9-22.4000111.2
499N28.4Very low33.3Very low120 Ų120137.2 Ų137.264%0.64280%0.799SS**  80.2111.461.7-173.633.5000114.3
500W29.7Very low33.7Very low256 Ų256139.4 Ų139.497%0.9780%0.804SS**  trans-143.6155.6160-93.3106.7000109.9
501Q30.4Very low34Very low142 Ų142136.4 Ų136.466%0.66480%0.796SS**  trans-129.5151.7-154.9-78.9-177.2-22.800115.2
502M29.2Very low34.4Very low155 Ų155136.9 Ų136.976%0.76480%0.801SS**  trans48.2119142-60.2-69.2-171.100121.2
503I33.2Very low33.9Very low174 Ų174135.6 Ų135.689%0.89281%0.807SS**  -142.8123.5126.1-55.3-175.9000109.1
504P32.4Very low33.6Very low114 Ų114134.1 Ų134.174%0.7481%0.811SS**  trans-123.6157.7173.339.4-28.4000115.3
505G34.4Very low33.6Very low82 Ų82134.4 Ų134.485%0.84582%0.817SS**  trans148.3153.2170.300000112.2
506G31.2Very low33.5Very low74 Ų74129.8 Ų129.876%0.76381%0.809SS**  cis-169.7156.6-700000110.1
507P37.9Very low33.6Very low140 Ų140130.5 Ų130.591%0.90982%0.817SS**  trans-110.5164.9-160.140.3-34.6000116.4
508G33.9Very low33.3Very low83 Ų83128 Ų12886%0.85681%0.812SS**  trans174.6131.5162.800000114.7
509G33.1Very low33.3Very low79 Ų79131.8 Ų131.881%0.81482%0.821SS**  trans144.199.4174.600000113.8
510H34.8Very low33.4Very low192 Ų192137.6 Ų137.689%0.88983%0.834SS**  trans-127.1169.8-173.8-103.9-27.8000112.7
511P40.7Very low33.8Very low109 Ų109132.2 Ų132.271%0.70883%0.829SS**  trans-124.7174.3-132.743.9-32.9000116.4
512M39.1Very low33.8Very low190 Ų190129.2 Ų129.294%0.93684%0.836SS**  trans-136.4149.4156.8-65.4-75.6-89.600107
513G31.7Very low33.9Very low80 Ų80124.8 Ų124.883%0.82583%0.831SS**  cis155.881.8-1.200000110.4
514G31.9Very low33.9Very low77 Ų77123.7 Ų123.779%0.79484%0.835SS**  trans-153.4141.3-176.700000112.3
515I31.6Very low34Very low181 Ų181121 Ų12193%0.92883%0.828SS**  trans-96.3125.8-169-59.5172000110.3
516G32.5Very low34.2Very low69 Ų69120.9 Ų120.971%0.71183%0.827SS**  trans-140131.2171.200000111.2G518G516-G518 VanDerWaalsContact C-N 3.31Å; G516-G518 PolarHBondContact O-N 3.16Å
517L32Very low35.3Very low192 Ų192125.1 Ų125.1100%1.00583%0.827SS**  trans-76.877.8177.6-81.2161.4000110.7
518G33.9Very low36.3Very low60 Ų60124.7 Ų124.762%0.61982%0.817SS**  trans-97.5123175.400000112.7G516 R520G516-G518 VanDerWaalsContact C-N 3.31Å; G516-G518 PolarHBondContact O-N 3.16Å; G518-R520 PolarHBondContact O-N 2.9Å; G518-R520 VanDerWaalsContact O-N 3.15Å
519M37.4Very low38.3Very low198 Ų198124.3 Ų124.398%0.97580%0.798SS**  trans-60.3114.8168.7-75.3-172.3173.100110.4V521M519-V521 PolarHBondContact O-N 3.27Å
520R30.8Very low40.4Very low243 Ų243123.6 Ų123.692%0.91778%0.775SS**  trans-76.5109.6177.8-77.1-172.6172-152.10.2111.5G518G518-R520 PolarHBondContact O-N 2.9Å; G518-R520 VanDerWaalsContact O-N 3.15Å
521V38.3Very low42.9Very low142 Ų142119.5 Ų119.586%0.86176%0.76SS**  trans-115.571.9153.1-171.90000108.4M519M519-V521 PolarHBondContact O-N 3.27Å
522G30.3Very low44.9Very low79 Ų79114.4 Ų114.481%0.81473%0.727SS**  trans-115.897.6179.500000111.3
523G30.8Very low46.8Very low62 Ų62116.4 Ų116.464%0.63972%0.724SS**  trans-137.5137.3171.500000109.9G525G523-G525 PolarHBondContact O-N 3.5Å
524P34.4Very low48.9Very low151 Ų151115.3 Ų115.398%0.98170%0.703SS**SBendtrans-77.494.8-172.230.6-34.6000111.7
525G34.4Very low51.2Low59 Ų59111.9 Ų111.961%0.60867%0.668SS**  trans-162.4121.617100000110.2G523 Q527G523-G525 PolarHBondContact O-N 3.5Å; G525-Q527 PolarHBondContact O-N 2.91Å; G525-Q527 VanDerWaalsContact O-N 3.14Å
526G36.9Very low53.5Low79 Ų79104.9 Ų104.981%0.81464%0.64SS**  trans-61.7116178.200000110.4N528G526-N528 PolarHBondContact O-N 3.09Å
527Q54.1Low55.9Low163 Ų163103.8 Ų103.876%0.76262%0.616SS**  trans-64.9123.1174.2-64.1-1746.700108.4G525 V529G525-Q527 PolarHBondContact O-N 2.91Å; G525-Q527 VanDerWaalsContact O-N 3.14Å; Q527-V529 VanDerWaalsContact O-CG2 3.26Å; Q527-V529 WeakPolarHBondContact O-CG2 3.39Å; Q527-V529 PolarHBondContact O-N 3.19Å
528N60.2Low58.5Low130 Ų13098 Ų9870%0.69559%0.59SS**  trans-68.890.2177.5-94-30.3000110G526 P541G526-N528 PolarHBondContact O-N 3.09Å; N528-P541 HydrophobicContact CB-CG 4.42Å; N528-P541 WeakPolarHBondContact O-CB 3.49Å; N528-P541 WeakPolarHBondContact O-CD 3.11Å; N528-P541 VanDerWaalsContact O-CG 3.29Å; N528-P541 WeakPolarHBondContact O-CG 3.49Å
529V75.2Confident61Low75 Ų7595.2 Ų95.246%0.45556%0.56SS.*  trans-84.6116.7-179.6-160.20000110Q527 N531 P538 N539Q527-V529 VanDerWaalsContact O-CG2 3.26Å; Q527-V529 WeakPolarHBondContact O-CG2 3.39Å; Q527-V529 PolarHBondContact O-N 3.19Å; V529-N531 PolarHBondContact O-N 3.05Å; V529-P538 HydrophobicContact CG1-CB 3.41Å; V529-P538 VanDerWaalsContact CG1-CB 3.41Å; V529-N539 WeakPolarHBondContact CG1-O 3.41Å
530N78.1Confident63.4Low64 Ų6488.4 Ų88.434%0.34253%0.531SS..EExtended strand (participates in β ladder)trans-85.6100.8178-76.3-11.5000110C532 N539N530-C532 PolarHBondContact O-N 2.93Å; N530-N539 PolarHBondContact N-O 3.3Å; N530-N539 PolarHBondContact O-N 3.04Å
531N85.6Confident65.8Low107 Ų10780.6 Ų80.657%0.57251%0.511SS*.EExtended strand (participates in β ladder)trans-67.1128.3171.5-74-1000110.3V529 R533 G536 P538V529-N531 PolarHBondContact O-N 3.05Å; N531-R533 PolarHBondContact O-N 3.05Å; N531-G536 WeakPolarHBondContact CB-O 3.42Å; N531-P538 WeakPolarHBondContact OD1-CA 3.15Å
532C82.8Confident68Low2 Ų278.7 Ų78.71%0.01450%0.504CS..  trans-71.1115.2-176.1178.70000111.5N530 S534 C535 G536 F537 C546 L553N530-C532 PolarHBondContact O-N 2.93Å; C532-S534 PolarHBondContact O-N 3.41Å; C532-C535 CarbonylContact O-C 3.57Å; C532-C535 PolarHBondContact O-N 3.42Å; C532-G536 WeakPolarHBondContact O-CA 3.44Å; C532-G536 PolarHBondContact O-N 3.3Å; C532-F537 PolarHBondContact N-O 3.18Å; C532-C546 HydrophobicContact CB-CB 3.84Å; C532-C546 WeakPolarHBondContact CB-SG 3.17Å; C532-C546 WeakPolarHBondContact SG-CB 3.3Å; C532-L553 HydrophobicContact CB-CD2 3.85Å
533R79.2Confident70.6Confident232 Ų23277.9 Ų77.988%0.87548%0.48SS*.THydrogen-bonded Turntrans-53.3-23.7178.6-57.3-171.9-167.5-146.84114.8N531N531-R533 PolarHBondContact O-N 3.05Å
534S76.9Confident73.3Confident56 Ų5678.7 Ų78.739%0.39248%0.475SS..THydrogen-bonded Turntrans-91.4-13.7179.5-51.30000114.6R136 C532 S551R136-S534 PolarHBondContact NH1-O 2.86Å; R136-S534 PolarHBondContact NH2-O 3.01Å; C532-S534 PolarHBondContact O-N 3.41Å; S534-S551 WeakPolarHBondContact CB-OG 3.28Å; S534-S551 WeakPolarHBondContact OG-CB 3.1Å; S534-S551 PolarHBondContact OG-OG 2.96Å
535C80.2Confident75.9Confident6 Ų677.1 Ų77.14%0.04145%0.452CS..THydrogen-bonded Turntrans-155.916.1-176.673.80000116.2F240 C532 F537 C546 N548 C549F240-C535 WeakPolarHBondContact CE2-O 3.41Å; F240-C535 WeakPolarHBondContact CZ-O 3.19Å; C532-C535 CarbonylContact O-C 3.57Å; C532-C535 PolarHBondContact O-N 3.42Å; C535-F537 PolarHBondContact O-N 3.11Å; C535-C546 PolarHBondContact SG-SG 3.28Å; C535-N548 PolarHBondContact SG-ND2 2.81Å; C535-N548 VanDerWaalsContact SG-ND2 3.37Å; C535-C549 HydrophobicContact CB-CB 3.96Å; C535-C549 PolarHBondContact SG-SG 3.08Å
536G80.2Confident78.3Confident33 Ų3374.3 Ų74.334%0.3442%0.423SS..  trans69-30.1-178.900000115.9N531 C532N531-G536 WeakPolarHBondContact CB-O 3.42Å; C532-G536 WeakPolarHBondContact O-CA 3.44Å; C532-G536 PolarHBondContact O-N 3.3Å
537F82.3Confident80.6Confident47 Ų4778.2 Ų78.221%0.20641%0.413CS..  trans-54.5130.8-164.6-165.5-90.5000113.5C532 C535 N539 R547 N548C532-F537 PolarHBondContact N-O 3.18Å; C535-F537 PolarHBondContact O-N 3.11Å; F537-N539 PolarHBondContact O-ND2 2.71Å; F537-R547 HydrophobicContact CE1-CB 4.18Å; F537-N548 HydrophobicContact CB-CB 3.75Å; F537-N548 HydrophobicContact CD1-CB 4.01Å; F537-N548 HydrophobicContact CD2-CB 3.8Å; F537-N548 HydrophobicContact CE2-CB 4.41Å; F537-N548 HydrophobicContact CG-CB 3.57Å
538P86.8Confident81.9Confident71 Ų7172.7 Ų72.746%0.46139%0.389SS..EExtended strand (participates in β ladder)trans-68.6130.5177.524.8-32000111.9V529 N531V529-P538 HydrophobicContact CG1-CB 3.41Å; V529-P538 VanDerWaalsContact CG1-CB 3.41Å; N531-P538 WeakPolarHBondContact OD1-CA 3.15Å
539N86.7Confident82.9Confident1 Ų168 Ų681%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-129.3146.3175.5-65.4-93000111.1V529 N530 F537 C546 R547 L553V529-N539 WeakPolarHBondContact CG1-O 3.41Å; N530-N539 PolarHBondContact N-O 3.3Å; N530-N539 PolarHBondContact O-N 3.04Å; F537-N539 PolarHBondContact O-ND2 2.71Å; N539-C546 PolarHBondContact ND2-SG 3.43Å; N539-C546 VanDerWaalsContact ND2-SG 3.37Å; N539-C546 WeakPolarHBondContact OD1-CA 3.22Å; N539-R547 PolarHBondContact OD1-N 3.37Å; N539-L553 HydrophobicContact CB-CD1 3.48Å; N539-L553 VanDerWaalsContact CB-CD1 3.48Å
540P86.5Confident83.4Confident55 Ų5572.8 Ų72.836%0.35738%0.376SS..  trans-64149.4170.728.7-34.1000110.3S542 M543P540-S542 PolarHBondContact O-N 3.01Å; P540-S542 VanDerWaalsContact O-N 3.1Å; P540-M543 HydrophobicContact CG-CG 3.8Å; P540-M543 PolarHBondContact O-N 2.92Å; P540-M543 VanDerWaalsContact O-N 3.13Å
541P81.9Confident83.6Confident78 Ų7871.6 Ų71.651%0.50637%0.373SS..THydrogen-bonded Turntrans-72.9-9.4-16829.8-33.4000113.5N528N528-P541 HydrophobicContact CB-CG 4.42Å; N528-P541 WeakPolarHBondContact O-CB 3.49Å; N528-P541 WeakPolarHBondContact O-CD 3.11Å; N528-P541 VanDerWaalsContact O-CG 3.29Å; N528-P541 WeakPolarHBondContact O-CG 3.49Å
542S84.3Confident83.5Confident102 Ų10268.9 Ų68.971%0.71337%0.37SS*.THydrogen-bonded Turntrans-79.7-12.3173.851.10000114.2P540 P544P540-S542 PolarHBondContact O-N 3.01Å; P540-S542 VanDerWaalsContact O-N 3.1Å; S542-P544 WeakPolarHBondContact O-CD 3.35Å
543M84.2Confident83.4Confident62 Ų6270 Ų7031%0.30538%0.376SS..  trans-84.1124.6-177.5-76.5-70.8-74.300111.7P540 F545 R547 L553P540-M543 HydrophobicContact CG-CG 3.8Å; P540-M543 PolarHBondContact O-N 2.92Å; P540-M543 VanDerWaalsContact O-N 3.13Å; M543-F545 VanDerWaalsContact C-N 3.29Å; M543-F545 WeakPolarHBondContact CE-O 3.37Å; M543-F545 PolarHBondContact O-N 3.22Å; M543-R547 HydrophobicContact CE-CG 3.84Å; M543-L553 HydrophobicContact CB-CD1 3.96Å; M543-L553 WeakPolarHBondContact O-CB 3.15Å; M543-L553 VanDerWaalsContact O-CD1 3.3Å; M543-L553 WeakPolarHBondContact O-CD1 3.36Å
544P87.5Confident82.9Confident80 Ų8072.3 Ų72.352%0.51938%0.384SS..SBendtrans-76.8-14.8174.329.3-33.4000113.4S542 G552 L553S542-P544 WeakPolarHBondContact O-CD 3.35Å; P544-G552 WeakPolarHBondContact O-CA 3.48Å; P544-L553 PolarHBondContact O-N 3.43Å
545F90.1Very high83.2Confident117 Ų11773.2 Ų73.251%0.51338%0.384SS..BIsolated β-bridgetrans-137.6144.9-178.7-56.7-74.1000111M543 R547 R550M543-F545 VanDerWaalsContact C-N 3.29Å; M543-F545 WeakPolarHBondContact CE-O 3.37Å; M543-F545 PolarHBondContact O-N 3.22Å; F545-R547 PolarHBondContact O-N 3.15Å; F545-R550 WeakPolarHBondContact CD1-O 3.32Å
546C84Confident83.3Confident0 Ų076.7 Ų76.70%040%0.402CS..  trans-63.6130.3176.2179.70000111.8C532 C535 N539 N548 R550 S551 L553C532-C546 HydrophobicContact CB-CB 3.84Å; C532-C546 WeakPolarHBondContact CB-SG 3.17Å; C532-C546 WeakPolarHBondContact SG-CB 3.3Å; C535-C546 PolarHBondContact SG-SG 3.28Å; N539-C546 PolarHBondContact ND2-SG 3.43Å; N539-C546 VanDerWaalsContact ND2-SG 3.37Å; N539-C546 WeakPolarHBondContact OD1-CA 3.22Å; C546-N548 VanDerWaalsContact C-N 3.25Å; C546-N548 PolarHBondContact O-N 2.56Å; C546-N548 PolarHBondContact SG-N 3.16Å; C546-N548 VanDerWaalsContact SG-N 3.42Å; C546-R550 WeakPolarHBondContact O-CA 3.4Å; C546-R550 PolarHBondContact O-N 3.17Å; C546-S551 PolarHBondContact N-O 3.04Å; C546-L553 HydrophobicContact CB-CD2 4.28Å; C546-L553 HydrophobicContact CB-CG 4.44Å
547R85.9Confident83.5Confident161 Ų16179.1 Ų79.161%0.60841%0.406SS*.THydrogen-bonded Turntrans-57.1-38.6175.6-68.318072.5-175.62.8112.3F537 N539 M543 F545F537-R547 HydrophobicContact CE1-CB 4.18Å; N539-R547 PolarHBondContact OD1-N 3.37Å; M543-R547 HydrophobicContact CE-CG 3.84Å; F545-R547 PolarHBondContact O-N 3.15Å
548N80.9Confident83.6Confident47 Ų4781 Ų8125%0.25142%0.417SS..THydrogen-bonded Turntrans-76.3-63.8-178.6-176.248.3000112.5N264 C535 F537 C546N264-N548 PolarHBondContact ND2-ND2 3.11Å; N264-N548 PolarHBondContact ND2-OD1 2.88Å; C535-N548 PolarHBondContact SG-ND2 2.81Å; C535-N548 VanDerWaalsContact SG-ND2 3.37Å; F537-N548 HydrophobicContact CB-CB 3.75Å; F537-N548 HydrophobicContact CD1-CB 4.01Å; F537-N548 HydrophobicContact CD2-CB 3.8Å; F537-N548 HydrophobicContact CE2-CB 4.41Å; F537-N548 HydrophobicContact CG-CB 3.57Å; C546-N548 VanDerWaalsContact C-N 3.25Å; C546-N548 PolarHBondContact O-N 2.56Å; C546-N548 PolarHBondContact SG-N 3.16Å; C546-N548 VanDerWaalsContact SG-N 3.42Å
549C82.6Confident83.4Confident31 Ų3181.6 Ų81.621%0.20942%0.415CS..THydrogen-bonded Turntrans-105.85.2-170.873.80000115.8C535 S551C535-C549 HydrophobicContact CB-CB 3.96Å; C535-C549 PolarHBondContact SG-SG 3.08Å; C549-S551 PolarHBondContact O-N 2.81Å; C549-S551 VanDerWaalsContact SG-CB 3.59Å; C549-S551 PolarHBondContact SG-OG 2.78Å
550R85.3Confident83.1Confident176 Ų17687 Ų8766%0.66444%0.442SS*.  trans56.5-0.7-177.4-53.5-59.4-178.11731.7117F545 C546F545-R550 WeakPolarHBondContact CD1-O 3.32Å; C546-R550 WeakPolarHBondContact O-CA 3.4Å; C546-R550 PolarHBondContact O-N 3.17Å
551S82.1Confident82.9Confident40 Ų4089.3 Ų89.328%0.2845%0.448SS..PPolyproline II helixtrans-57.8141.7171-51.40000111S534 C546 C549 L553S534-S551 WeakPolarHBondContact CB-OG 3.28Å; S534-S551 WeakPolarHBondContact OG-CB 3.1Å; S534-S551 PolarHBondContact OG-OG 2.96Å; C546-S551 PolarHBondContact N-O 3.04Å; C549-S551 PolarHBondContact O-N 2.81Å; C549-S551 VanDerWaalsContact SG-CB 3.59Å; C549-S551 PolarHBondContact SG-OG 2.78Å; S551-L553 PolarHBondContact O-N 3.32Å
552G83.2Confident83Confident49 Ų4990.2 Ų90.251%0.50544%0.443SS..BIsolated β-bridgetrans-59.3134.5179.500000112.3P544P544-G552 WeakPolarHBondContact O-CA 3.48Å
553L81.1Confident82.9Confident26 Ų2689.2 Ų89.214%0.13642%0.421CS..PPolyproline II helixtrans-91.6128.3170.6-63.5168.6000107.8C532 N539 M543 P544 C546 S551C532-L553 HydrophobicContact CB-CD2 3.85Å; N539-L553 HydrophobicContact CB-CD1 3.48Å; N539-L553 VanDerWaalsContact CB-CD1 3.48Å; M543-L553 HydrophobicContact CB-CD1 3.96Å; M543-L553 WeakPolarHBondContact O-CB 3.15Å; M543-L553 VanDerWaalsContact O-CD1 3.3Å; M543-L553 WeakPolarHBondContact O-CD1 3.36Å; P544-L553 PolarHBondContact O-N 3.43Å; C546-L553 HydrophobicContact CB-CD2 4.28Å; C546-L553 HydrophobicContact CB-CG 4.44Å; S551-L553 PolarHBondContact O-N 3.32Å
554R67.5Low82.7Confident281 Ų28191.6 Ų91.6100%1.0643%0.432SS*.  trans-140.20179.8-72.3-170.9-179.5-173.52.5110

Retrieved 554 of 554 residues in 585.3 ms (Link to these results)

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