A0A087XHJ7_POEFO Loading...

Exosome component 7

AlphaFold DB , UniProt , Accession A0A087XHJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 291 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
1M46.9Very low73Confident125 Ų12589.5 Ų89.562%0.61649%0.49SS*.  0124.80-83.8-171.2168.300106.1T3M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.45Å
2A39.6Very low74.5Confident35 Ų3588.6 Ų88.629%0.28949%0.488SS..  trans-53.6102.9165.900000108.1V4 T90 E92A2-V4 PolarHBondContact O-N 2.92Å; A2-T90 HydrophobicContact CB-CG2 4.09Å; A2-E92 WeakPolarHBondContact CA-OE2 3.43Å; A2-E92 WeakPolarHBondContact CB-OE2 3.49Å
3T51Low75.8Confident101 Ų10194.4 Ų94.462%0.6250%0.5SS*.  trans-75.990.6179.340.40000104.2M1 Q5M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.45Å; T3-Q5 VanDerWaalsContact C-N 3.28Å; T3-Q5 WeakPolarHBondContact O-CG 3.5Å; T3-Q5 PolarHBondContact O-N 3.16Å
4V64.4Low76.9Confident59 Ų5988.7 Ų88.736%0.35847%0.47SS..  trans-55.2106.2163.3-179.50000105A2 V6 L216 Q217A2-V4 PolarHBondContact O-N 2.92Å; V4-V6 VanDerWaalsContact C-N 3.28Å; V4-V6 HydrophobicContact CG1-CG2 3.95Å; V4-V6 PolarHBondContact O-N 3.48Å; V4-L216 HydrophobicContact CG2-CB 4.08Å; V4-L216 HydrophobicContact CG2-CD1 4.35Å; V4-Q217 HydrophobicContact CG1-CG 4.3Å
5Q69.5Low77.8Confident179 Ų17987.5 Ų87.584%0.83646%0.463SS*.  trans-7888.9-179.6-68.7-164.4-5.100107T3T3-Q5 VanDerWaalsContact C-N 3.28Å; T3-Q5 WeakPolarHBondContact O-CG 3.5Å; T3-Q5 PolarHBondContact O-N 3.16Å
6V82.4Confident78.6Confident16 Ų1688.4 Ų88.410%0.09746%0.464CS..  trans-78.4129.8174.3-168.90000108.2V4 E10 K11 Q217 A220V4-V6 VanDerWaalsContact C-N 3.28Å; V4-V6 HydrophobicContact CG1-CG2 3.95Å; V4-V6 PolarHBondContact O-N 3.48Å; V6-E10 HydrophobicContact CG1-CB 3.42Å; V6-E10 VanDerWaalsContact CG1-CB 3.42Å; V6-E10 HydrophobicContact CG1-CG 4.46Å; V6-K11 HydrophobicContact CB-CG 4.16Å; V6-K11 HydrophobicContact CG1-CG 3.91Å; V6-K11 WeakPolarHBondContact O-CE 3.19Å; V6-Q217 HydrophobicContact CG2-CB 4.44Å; V6-A220 HydrophobicContact CG2-CB 3.93Å
7S90.2Very high79.3Confident56 Ų5684.1 Ų84.139%0.39245%0.446SS..  trans-64.5155.9175.568.10000111.2A9 E10 K11S7-A9 PolarHBondContact O-N 3.27Å; S7-E10 VanDerWaalsContact CB-OE2 3.31Å; S7-E10 WeakPolarHBondContact CB-OE2 3.36Å; S7-E10 PolarHBondContact N-OE2 3.36Å; S7-E10 PolarHBondContact O-N 3.2Å; S7-E10 WeakPolarHBondContact OG-CB 3.31Å; S7-E10 VanDerWaalsContact OG-CD 3.23Å; S7-E10 WeakPolarHBondContact OG-CG 3.34Å; S7-E10 PolarHBondContact OG-N 3.3Å; S7-E10 PolarHBondContact OG-OE2 3.31Å; S7-K11 WeakPolarHBondContact O-CG 3.48Å; S7-K11 PolarHBondContact O-N 2.85Å
8E87.6Confident79.9Confident164 Ų16479.6 Ų79.677%0.76642%0.422SS*.Hα-helixtrans-62.2-34.6179.7-63.9-166.1105.200112.4K11 V12E8-K11 PolarHBondContact O-N 2.67Å; E8-V12 VanDerWaalsContact O-CG2 3.32Å; E8-V12 WeakPolarHBondContact O-CG2 3.43Å; E8-V12 PolarHBondContact O-N 3.31Å
9A91.8Very high80.3Confident76 Ų7685.9 Ų85.963%0.62844%0.44SS*.Hα-helixtrans-64-42.4175.800000112.1S7 V12 Y13S7-A9 PolarHBondContact O-N 3.27Å; A9-V12 PolarHBondContact O-N 2.94Å; A9-Y13 WeakPolarHBondContact O-CB 3.35Å; A9-Y13 PolarHBondContact O-N 3.22Å
10E89.6Confident80.7Confident95 Ų9587.3 Ų87.344%0.44445%0.448SS..Hα-helixtrans-65.7-39.1175.4-73.5166.6134.700111.7V6 S7 V12 Y13 I14V6-E10 HydrophobicContact CG1-CB 3.42Å; V6-E10 VanDerWaalsContact CG1-CB 3.42Å; V6-E10 HydrophobicContact CG1-CG 4.46Å; S7-E10 VanDerWaalsContact CB-OE2 3.31Å; S7-E10 WeakPolarHBondContact CB-OE2 3.36Å; S7-E10 PolarHBondContact N-OE2 3.36Å; S7-E10 PolarHBondContact O-N 3.2Å; S7-E10 WeakPolarHBondContact OG-CB 3.31Å; S7-E10 VanDerWaalsContact OG-CD 3.23Å; S7-E10 WeakPolarHBondContact OG-CG 3.34Å; S7-E10 PolarHBondContact OG-N 3.3Å; S7-E10 PolarHBondContact OG-OE2 3.31Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 2.84Å; E10-Y13 WeakPolarHBondContact O-CB 3.28Å; E10-Y13 PolarHBondContact O-N 3.1Å; E10-I14 VanDerWaalsContact O-CG1 3.31Å; E10-I14 WeakPolarHBondContact O-CG1 3.45Å; E10-I14 PolarHBondContact O-N 3.04Å
11K89.8Confident81Confident79 Ų7986.3 Ų86.334%0.34344%0.444SS..Hα-helixtrans-60.3-44.4174.9-67.4-179.9-178.3173.40111.7V6 S7 E8 I14 L15V6-K11 HydrophobicContact CB-CG 4.16Å; V6-K11 HydrophobicContact CG1-CG 3.91Å; V6-K11 WeakPolarHBondContact O-CE 3.19Å; S7-K11 WeakPolarHBondContact O-CG 3.48Å; S7-K11 PolarHBondContact O-N 2.85Å; E8-K11 PolarHBondContact O-N 2.67Å; K11-I14 PolarHBondContact O-N 3.08Å; K11-L15 WeakPolarHBondContact O-CB 3.41Å; K11-L15 PolarHBondContact O-N 2.81Å
12V91.8Very high82.9Confident78 Ų7885.7 Ų85.747%0.47344%0.442SS..Hα-helixtrans-63.4-44.1177.21710000110.3E8 A9 E10 I14 L15 H16E8-V12 VanDerWaalsContact O-CG2 3.32Å; E8-V12 WeakPolarHBondContact O-CG2 3.43Å; E8-V12 PolarHBondContact O-N 3.31Å; A9-V12 PolarHBondContact O-N 2.94Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 2.84Å; V12-I14 PolarHBondContact O-N 2.78Å; V12-L15 PolarHBondContact O-N 3.39Å; V12-H16 VanDerWaalsContact CG1-CD2 3.48Å; V12-H16 WeakPolarHBondContact CG1-CD2 3.49Å; V12-H16 PolarHBondContact O-CD2 3.35Å; V12-H16 PolarHBondContact O-N 3.3Å
13Y91.4Very high85.2Confident164 Ų16484.7 Ų84.764%0.64343%0.431SS*.Hα-helixtrans-58.2-48.2175.9180-99.2000112.3A9 E10 L15 H16 G17 V24A9-Y13 WeakPolarHBondContact O-CB 3.35Å; A9-Y13 PolarHBondContact O-N 3.22Å; E10-Y13 WeakPolarHBondContact O-CB 3.28Å; E10-Y13 PolarHBondContact O-N 3.1Å; Y13-L15 PolarHBondContact O-N 3.49Å; Y13-H16 PolarHBondContact O-N 3.06Å; Y13-G17 PolarHBondContact O-N 3.38Å; Y13-V24 HydrophobicContact CE1-CG1 4.38Å
14I90.1Very high86.8Confident15 Ų1583.7 Ų83.78%0.07742%0.424CS..Hα-helixtrans-63.2-42.4178.2-68.1166.2000110.9E10 K11 V12 H16 G17 I18 Q217 E218E10-I14 VanDerWaalsContact O-CG1 3.31Å; E10-I14 WeakPolarHBondContact O-CG1 3.45Å; E10-I14 PolarHBondContact O-N 3.04Å; K11-I14 PolarHBondContact O-N 3.08Å; V12-I14 PolarHBondContact O-N 2.78Å; I14-H16 PolarHBondContact O-N 3.18Å; I14-G17 PolarHBondContact O-N 2.96Å; I14-I18 HydrophobicContact CG2-CD1 3.55Å; I14-I18 HydrophobicContact CG2-CG1 4.41Å; I14-I18 WeakPolarHBondContact O-CB 3.27Å; I14-I18 WeakPolarHBondContact O-CD1 3.33Å; I14-I18 VanDerWaalsContact O-CG1 3.27Å; I14-I18 WeakPolarHBondContact O-CG1 3.31Å; I14-I18 PolarHBondContact O-N 3.4Å; I14-Q217 HydrophobicContact CD1-CB 4.2Å; I14-E218 HydrophobicContact CG2-CG 3.99Å
15L90.4Very high87.7Confident70 Ų7085.3 Ų85.337%0.36643%0.431SS..Hα-helixtrans-60.4-44.4176.9-105.3160.2000112.8K11 V12 Y13 R19 I206K11-L15 WeakPolarHBondContact O-CB 3.41Å; K11-L15 PolarHBondContact O-N 2.81Å; V12-L15 PolarHBondContact O-N 3.39Å; Y13-L15 PolarHBondContact O-N 3.49Å; L15-R19 PolarHBondContact O-N 3.49Å; L15-I206 HydrophobicContact CD2-CG2 4Å; L15-I206 HydrophobicContact CG-CG2 4.04Å
16H91.3Very high88.4Confident102 Ų10279.8 Ų79.847%0.47242%0.422SS..Hα-helixtrans-69.5-44.1177-78.1-71.3000111.6V12 Y13 I14 I18 R19 D20V12-H16 VanDerWaalsContact CG1-CD2 3.48Å; V12-H16 WeakPolarHBondContact CG1-CD2 3.49Å; V12-H16 PolarHBondContact O-CD2 3.35Å; V12-H16 PolarHBondContact O-N 3.3Å; Y13-H16 PolarHBondContact O-N 3.06Å; I14-H16 PolarHBondContact O-N 3.18Å; H16-I18 VanDerWaalsContact C-N 3.34Å; H16-I18 PolarHBondContact O-N 2.86Å; H16-R19 WeakPolarHBondContact O-CB 3.31Å; H16-R19 PolarHBondContact O-N 2.95Å; H16-D20 PolarHBondContact O-N 3.03Å; H16-D20 VanDerWaalsContact O-N 3.08Å
17G90.3Very high88.7Confident16 Ų1680.8 Ų80.817%0.16542%0.424CS..Hα-helixtrans-55.2-4917600000112.2Y13 I14 R19 D20 D21 L22Y13-G17 PolarHBondContact O-N 3.38Å; I14-G17 PolarHBondContact O-N 2.96Å; G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 3.35Å; G17-D20 CarbonylContact O-C 3.58Å; G17-D20 WeakPolarHBondContact O-CA 3.37Å; G17-D20 PolarHBondContact O-N 2.73Å; G17-D21 PolarHBondContact O-N 3.2Å; G17-D21 VanDerWaalsContact O-N 3.1Å; G17-L22 CarbonylContact C-O 3.38Å; G17-L22 VanDerWaalsContact CA-O 3.28Å; G17-L22 WeakPolarHBondContact CA-O 3.48Å; G17-L22 PolarHBondContact O-N 2.94Å; G17-L22 VanDerWaalsContact O-O 3.05Å
18I89.3Confident88.5Confident3 Ų378.8 Ų78.82%0.01541%0.412CS..Hα-helixtrans-64.1-31.9178.5-68.6163.6000112I14 H16 D20 D21 I206 R209 V211I14-I18 HydrophobicContact CG2-CD1 3.55Å; I14-I18 HydrophobicContact CG2-CG1 4.41Å; I14-I18 WeakPolarHBondContact O-CB 3.27Å; I14-I18 WeakPolarHBondContact O-CD1 3.33Å; I14-I18 VanDerWaalsContact O-CG1 3.27Å; I14-I18 WeakPolarHBondContact O-CG1 3.31Å; I14-I18 PolarHBondContact O-N 3.4Å; H16-I18 VanDerWaalsContact C-N 3.34Å; H16-I18 PolarHBondContact O-N 2.86Å; I18-D20 VanDerWaalsContact C-N 3.29Å; I18-D20 PolarHBondContact O-N 3.38Å; I18-D21 PolarHBondContact O-N 3.29Å; I18-I206 HydrophobicContact CD1-CB 3.85Å; I18-I206 HydrophobicContact CD1-CD1 3.44Å; I18-I206 VanDerWaalsContact CD1-CD1 3.44Å; I18-I206 HydrophobicContact CD1-CG1 4.22Å; I18-I206 HydrophobicContact CD1-CG2 3.56Å; I18-R209 HydrophobicContact CG2-CB 3.82Å; I18-R209 HydrophobicContact CG2-CG 4.31Å; I18-V211 HydrophobicContact CD1-CG2 4.08Å; I18-V211 HydrophobicContact CG1-CG2 4.16Å; I18-V211 HydrophobicContact CG2-CG2 3.63Å
19R88.6Confident88.5Confident199 Ų19971.1 Ų71.175%0.75138%0.377SS*.Hα-helixtrans-65.9-34.7174.7-175.3179.9178.1174.3-0.8111.9L15 H16 G17 D21L15-R19 PolarHBondContact O-N 3.49Å; H16-R19 WeakPolarHBondContact O-CB 3.31Å; H16-R19 PolarHBondContact O-N 2.95Å; G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 3.35Å; R19-D21 VanDerWaalsContact C-N 3.3Å
20D88.8Confident88.2Confident114 Ų11471.2 Ų71.261%0.6136%0.364SS*.THydrogen-bonded Turntrans-89.29.8175.7-71.1-72.8000113.1H16 G17 I18 L22H16-D20 PolarHBondContact O-N 3.03Å; H16-D20 VanDerWaalsContact O-N 3.08Å; G17-D20 CarbonylContact O-C 3.58Å; G17-D20 WeakPolarHBondContact O-CA 3.37Å; G17-D20 PolarHBondContact O-N 2.73Å; I18-D20 VanDerWaalsContact C-N 3.29Å; I18-D20 PolarHBondContact O-N 3.38Å; D20-L22 PolarHBondContact O-N 3.48Å
21D85.6Confident88.1Confident66 Ų6671.1 Ų71.135%0.35337%0.367SS..THydrogen-bonded Turntrans59.429.3-177.5-141.1-99.3000114.2G17 I18 R19 C29G17-D21 PolarHBondContact O-N 3.2Å; G17-D21 VanDerWaalsContact O-N 3.1Å; I18-D21 PolarHBondContact O-N 3.29Å; R19-D21 VanDerWaalsContact C-N 3.3Å; D21-C29 PolarHBondContact OD2-SG 2.82Å
22L87.3Confident87.9Confident112 Ų11269.9 Ų69.959%0.58636%0.36SS*.  trans-117.9120179.5-67.8172000110.8G17 D20G17-L22 CarbonylContact C-O 3.38Å; G17-L22 VanDerWaalsContact CA-O 3.28Å; G17-L22 WeakPolarHBondContact CA-O 3.48Å; G17-L22 PolarHBondContact O-N 2.94Å; G17-L22 VanDerWaalsContact O-O 3.05Å; D20-L22 PolarHBondContact O-N 3.48Å
23R87.9Confident87.8Confident15 Ų1567.8 Ų67.86%0.05734%0.344CS..  trans-97.7164.9172.6-63.7175.368.9-177.12.4111.4D25 G26 R27 G28 V212 D213 E218R23-D25 PolarHBondContact O-N 2.91Å; R23-D25 VanDerWaalsContact O-N 3.16Å; R23-G26 PolarHBondContact O-N 3.45Å; R23-R27 WeakPolarHBondContact CB-O 3.4Å; R23-R27 WeakPolarHBondContact CG-O 3.32Å; R23-R27 PolarHBondContact N-O 3.01Å; R23-G28 VanDerWaalsContact CD-O 3.32Å; R23-G28 WeakPolarHBondContact CD-O 3.34Å; R23-V212 PolarHBondContact NH1-O 3.05Å; R23-D213 PolarHBondContact NH2-O 3.25Å; R23-E218 IonicContact CZ-OE1 3.89Å; R23-E218 IonicContact CZ-OE2 2.73Å; R23-E218 IonicContact NE-OE1 3Å; R23-E218 PolarHBondContact NE-OE1 3.15Å; R23-E218 IonicContact NE-OE2 2.81Å; R23-E218 IonicContact NH2-OE1 3.94Å; R23-E218 PolarHBondContact NH2-OE1 3.32Å; R23-E218 IonicContact NH2-OE2 3.73Å; R23-E218 PolarHBondContact NH2-OE2 3.43Å
24V85.8Confident87.6Confident79 Ų7967.2 Ų67.248%0.47935%0.347SS..THydrogen-bonded Turntrans-56-31.5176.4-64.90000112.8Y13Y13-V24 HydrophobicContact CE1-CG1 4.38Å
25D83.3Confident87.4Confident93 Ų9368.3 Ų68.350%0.49735%0.352SS..THydrogen-bonded Turntrans-87.3-0.6178.4-54.9-51.8000113.6R23 R27R23-D25 PolarHBondContact O-N 2.91Å; R23-D25 VanDerWaalsContact O-N 3.16Å; D25-R27 VanDerWaalsContact C-N 3.29Å; D25-R27 HydrophobicContact CB-CG 4.28Å; D25-R27 PolarHBondContact O-N 3.14Å; D25-R27 IonicContact OD2-CZ 3.6Å; D25-R27 IonicContact OD2-NE 3.57Å; D25-R27 IonicContact OD2-NH2 2.78Å; D25-R27 PolarHBondContact OD2-NH2 3.31Å
26G84.2Confident87.4Confident63 Ų6370.4 Ų70.465%0.64936%0.36SS*.SBendtrans75.311.9-174.100000115.2R23R23-G26 PolarHBondContact O-N 3.45Å
27R87.4Confident87.2Confident38 Ų3866.3 Ų66.314%0.14334%0.342CS..  trans-86.1154.9175.8-65.7-176.6-72.8146.9-7.4111.9R23 D25 D31 R33 D213R23-R27 WeakPolarHBondContact CB-O 3.4Å; R23-R27 WeakPolarHBondContact CG-O 3.32Å; R23-R27 PolarHBondContact N-O 3.01Å; D25-R27 VanDerWaalsContact C-N 3.29Å; D25-R27 HydrophobicContact CB-CG 4.28Å; D25-R27 PolarHBondContact O-N 3.14Å; D25-R27 IonicContact OD2-CZ 3.6Å; D25-R27 IonicContact OD2-NE 3.57Å; D25-R27 IonicContact OD2-NH2 2.78Å; D25-R27 PolarHBondContact OD2-NH2 3.31Å; R27-D31 HydrophobicContact CB-CB 4.29Å; R27-D31 PolarHBondContact NH1-O 3.24Å; R27-R33 VanDerWaalsContact NH2-CG 3.28Å; R27-D213 IonicContact CZ-OD1 3.86Å; R27-D213 IonicContact NH1-OD1 3.05Å; R27-D213 PolarHBondContact NH1-OD1 3.35Å; R27-D213 IonicContact NH2-OD1 3.8Å
28G87.3Confident87.1Confident13 Ų1367 Ų6713%0.13434%0.341CS..  trans-75.5176.8170.100000113R23 E30R23-G28 VanDerWaalsContact CD-O 3.32Å; R23-G28 WeakPolarHBondContact CD-O 3.34Å; G28-E30 VanDerWaalsContact C-N 3.32Å; G28-E30 PolarHBondContact O-N 2.96Å
29C85.6Confident86.9Confident3 Ų368.4 Ų68.42%0.0235%0.35CS..THydrogen-bonded Turntrans-71.8-22.1-178.3-67.50000114.4D21 V211 V212D21-C29 PolarHBondContact OD2-SG 2.82Å; C29-V211 HydrophobicContact CB-CG2 4.38Å; C29-V211 WeakPolarHBondContact O-CA 3.39Å; C29-V212 PolarHBondContact O-N 3Å
30E86.6Confident86.7Confident79 Ų7961 Ų6137%0.36933%0.325SS..THydrogen-bonded Turntrans-103.73.1-176.5-67179.388.500113.3G28 T258 R261G28-E30 VanDerWaalsContact C-N 3.32Å; G28-E30 PolarHBondContact O-N 2.96Å; E30-T258 HydrophobicContact CG-CG2 4.04Å; E30-T258 WeakPolarHBondContact OE1-CG2 3.38Å; E30-R261 IonicContact OE1-NH1 2.67Å; E30-R261 PolarHBondContact OE1-NH1 3Å
31D86.9Confident86.4Confident93 Ų9356.8 Ų56.850%0.49730%0.304SS..PPolyproline II helixtrans-96.7137.4-173.1-76.5-72000114.4R27R27-D31 HydrophobicContact CB-CB 4.29Å; R27-D31 PolarHBondContact NH1-O 3.24Å
32Y87.1Confident86.5Confident52 Ų5256 Ų5620%0.20430%0.301CS..PPolyproline II helixtrans-85.7158.2174.4-84.4-93.5000113.4N147 D150 V212 D213 V262 L266Y32-N147 WeakPolarHBondContact CE1-ND2 2.95Å; Y32-D150 WeakPolarHBondContact CE1-OD2 3.44Å; Y32-D150 PolarHBondContact OH-OD2 3.38Å; Y32-V212 HydrophobicContact CD2-CG1 4.12Å; Y32-V212 HydrophobicContact CE1-CG1 4.26Å; Y32-V212 HydrophobicContact CE2-CB 4.48Å; Y32-V212 HydrophobicContact CE2-CG1 3.24Å; Y32-V212 WeakPolarHBondContact OH-CG1 3.48Å; Y32-D213 HydrophobicContact CD1-CB 3.89Å; Y32-D213 HydrophobicContact CE1-CB 4.02Å; Y32-D213 HydrophobicContact CG-CB 4.43Å; Y32-V262 HydrophobicContact CD2-CG1 4.41Å; Y32-V262 HydrophobicContact CE2-CG1 3.39Å; Y32-L266 HydrophobicContact CE1-CD1 4.34Å; Y32-L266 HydrophobicContact CE2-CD1 4.45Å
33R88.9Confident86.2Confident35 Ų3555.6 Ų55.613%0.13231%0.308CS..PPolyproline II helixtrans-69.7160.5162-66.4178.6-127.4-175.614.3110R27 M35 L53 D145 D213R27-R33 VanDerWaalsContact NH2-CG 3.28Å; R33-M35 PolarHBondContact O-N 2.69Å; R33-L53 HydrophobicContact CB-CD1 4.1Å; R33-D145 IonicContact CZ-OD1 2.67Å; R33-D145 IonicContact NH1-OD1 3.45Å; R33-D145 PolarHBondContact NH1-OD1 2.86Å; R33-D145 PolarHBondContact NH2-O 3.08Å; R33-D145 VanDerWaalsContact NH2-O 3.16Å; R33-D145 IonicContact NH2-OD1 2.97Å; R33-D213 WeakPolarHBondContact CG-OD1 3.32Å; R33-D213 IonicContact CZ-OD1 3.23Å; R33-D213 IonicContact NE-OD1 3.35Å; R33-D213 PolarHBondContact NE-OD1 2.96Å; R33-D213 IonicContact NH2-OD1 2.87Å
34H86.7Confident86.1Confident151 Ų15162.3 Ų62.370%0.69935%0.345SS*.PPolyproline II helixtrans-57.2129.8167.8-168.964.8000109.7G54H34-G54 PolarHBondContact O-N 2.67Å
35M87.1Confident86.2Confident39 Ų3960.2 Ų60.219%0.19233%0.332CS..EExtended strand (participates in β ladder)trans-115.6122.9179.9-169.6-178.3-108.600108.6R33 V37 V51 T52 L53 A151 V154R33-M35 PolarHBondContact O-N 2.69Å; M35-V37 HydrophobicContact CG-CG2 4.23Å; M35-V37 HydrophobicContact SD-CG2 4.3Å; M35-V51 HydrophobicContact CE-CG1 3.69Å; M35-V51 HydrophobicContact CG-CG1 3.69Å; M35-V51 HydrophobicContact SD-CG1 3.83Å; M35-T52 WeakPolarHBondContact CA-O 3.37Å; M35-L53 HydrophobicContact CB-CD1 3.76Å; M35-L53 HydrophobicContact CE-CB 4.15Å; M35-L53 HydrophobicContact CE-CD1 3.9Å; M35-L53 HydrophobicContact CE-CD2 4.12Å; M35-L53 HydrophobicContact CE-CG 4.28Å; M35-L53 HydrophobicContact CG-CB 4.49Å; M35-L53 HydrophobicContact CG-CD1 4.02Å; M35-A151 HydrophobicContact CE-CB 4.49Å; M35-V154 HydrophobicContact CE-CB 4.03Å; M35-V154 HydrophobicContact CE-CG1 4.3Å; M35-V154 HydrophobicContact CE-CG2 3.91Å; M35-V154 HydrophobicContact SD-CB 4.06Å; M35-V154 HydrophobicContact SD-CG1 3.67Å; M35-V154 HydrophobicContact SD-CG2 4.04Å
36E88.6Confident86.4Confident113 Ų11358.4 Ų58.453%0.52832%0.322SS..EExtended strand (participates in β ladder)trans-102.8123.5173.9-62.4178.897.400108.1V51 T52E36-V51 CarbonylContact O-C 2.97Å; E36-V51 WeakPolarHBondContact O-CA 3.43Å; E36-T52 PolarHBondContact N-O 2.8Å; E36-T52 PolarHBondContact O-N 3.29Å
37V88.3Confident86.6Confident17 Ų1755.4 Ų55.410%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-114.9127.5177.6-1780000107.1M35 V51 V154 A158 L270M35-V37 HydrophobicContact CG-CG2 4.23Å; M35-V37 HydrophobicContact SD-CG2 4.3Å; V37-V51 HydrophobicContact CB-CG2 4.48Å; V37-V51 HydrophobicContact CG1-CG2 4.14Å; V37-V51 HydrophobicContact CG2-CG1 4.43Å; V37-V51 HydrophobicContact CG2-CG2 4.1Å; V37-V154 HydrophobicContact CG2-CG1 4.08Å; V37-A158 HydrophobicContact CG1-CB 3.79Å; V37-L270 HydrophobicContact CG2-CD1 4.09Å
38E87.3Confident86.7Confident29 Ų2953.6 Ų53.614%0.13628%0.284CS..EExtended strand (participates in β ladder)trans-122.8120.3175.1-57.8-173.292.700108.3V41 A49 K50E38-V41 HydrophobicContact CB-CG2 4.09Å; E38-A49 CarbonylContact O-C 3.56Å; E38-A49 VanDerWaalsContact O-CA 3.3Å; E38-A49 WeakPolarHBondContact O-CA 3.15Å; E38-K50 HydrophobicContact CB-CB 4.43Å; E38-K50 PolarHBondContact N-O 3Å; E38-K50 PolarHBondContact O-N 3.31Å; E38-K50 IonicContact OE2-NZ 2.6Å; E38-K50 PolarHBondContact OE2-NZ 3.44Å
39T85.9Confident87Confident34 Ų3453 Ų5321%0.20928%0.278CS..EExtended strand (participates in β ladder)trans-91.1157.5172.852.60000111.5A158 L274 E277T39-A158 HydrophobicContact CG2-CB 4.25Å; T39-L274 HydrophobicContact CG2-CD2 3.5Å; T39-E277 WeakPolarHBondContact CB-OE2 3.38Å; T39-E277 WeakPolarHBondContact CG2-OE2 3.48Å; T39-E277 PolarHBondContact N-OE2 2.83Å; T39-E277 PolarHBondContact OG1-OE2 2.87Å
40D84.4Confident87.2Confident42 Ų4254 Ų5423%0.22528%0.283CS..  trans63.744171.3-150.9-116.1000114.9S48 N162 K286D40-S48 WeakPolarHBondContact CA-OG 3.45Å; D40-S48 PolarHBondContact N-O 2.88Å; D40-N162 WeakPolarHBondContact CB-ND2 3.41Å; D40-N162 PolarHBondContact N-ND2 3.11Å; D40-N162 PolarHBondContact OD2-ND2 2.9Å; D40-K286 VanDerWaalsContact OD1-CE 3.3Å; D40-K286 WeakPolarHBondContact OD1-CE 3.23Å; D40-K286 IonicContact OD1-NZ 3.83Å; D40-K286 PolarHBondContact OD1-NZ 2.66Å
41V83.4Confident87.5Confident27 Ų2750.3 Ų50.316%0.16427%0.265CS..  trans-77.7-40.1-178.9177.60000112.4E38 S48 K50 L59 F289E38-V41 HydrophobicContact CB-CG2 4.09Å; V41-S48 PolarHBondContact N-OG 3.04Å; V41-K50 HydrophobicContact CG2-CB 3.72Å; V41-L59 HydrophobicContact CB-CD1 4.2Å; V41-L59 HydrophobicContact CG1-CD1 4.08Å; V41-F289 HydrophobicContact CG1-CD2 4.09Å; V41-F289 HydrophobicContact CG1-CE2 3.39Å; V41-F289 HydrophobicContact CG1-CZ 4.07Å
42V85.8Confident87.6Confident48 Ų4847 Ų4729%0.29125%0.248SC..  trans-107.1125.5-178.1-177.90000109N44 T45 S48 L59V42-N44 HydrophobicContact CG1-CB 4.47Å; V42-T45 HydrophobicContact CG1-CG2 4.15Å; V42-T45 PolarHBondContact O-OG1 2.83Å; V42-S48 PolarHBondContact N-OG 2.97Å; V42-S48 PolarHBondContact O-OG 2.82Å; V42-L59 HydrophobicContact CG2-CD1 4.35Å; V42-L59 HydrophobicContact CG2-CD2 4.24Å
43S82.3Confident87.7Confident105 Ų10544.6 Ų44.673%0.73424%0.239SC*.SBendtrans-86.5-16.1-175.4-51.20000114.5T45S43-T45 VanDerWaalsContact C-N 3.33Å
44N86.6Confident87.5Confident156 Ų15644.6 Ų44.683%0.83425%0.25SC*.SBendtrans-84.9-8.4-177.7-164.751.1000113.5V42V42-N44 HydrophobicContact CG1-CB 4.47Å
45T86.4Confident87.5Confident35 Ų3543.7 Ų43.722%0.21525%0.246CC..SBendtrans-108.9146-176.949.80000110.2V42 S43 G47 I62V42-T45 HydrophobicContact CG1-CG2 4.15Å; V42-T45 PolarHBondContact O-OG1 2.83Å; S43-T45 VanDerWaalsContact C-N 3.33Å; T45-G47 PolarHBondContact O-N 3.42Å; T45-G47 PolarHBondContact OG1-O 2.78Å; T45-I62 WeakPolarHBondContact CB-O 3.35Å
46D87Confident87.5Confident54 Ų5441.9 Ų41.929%0.28924%0.237SC..SBendtrans-64-26.3179.4-57.3-72.4000113.1I62 K63 A64 T163 K164D46-I62 PolarHBondContact N-O 2.83Å; D46-I62 VanDerWaalsContact N-O 3.07Å; D46-K63 WeakPolarHBondContact OD2-CA 3.45Å; D46-A64 PolarHBondContact OD2-N 3.26Å; D46-T163 HydrophobicContact CB-CG2 4.34Å; D46-T163 WeakPolarHBondContact O-CA 3.31Å; D46-K164 PolarHBondContact O-N 2.89Å; D46-K164 VanDerWaalsContact O-N 3.13Å
47G88.5Confident87.6Confident0 Ų036.8 Ų36.80%021%0.214CC..EExtended strand (participates in β ladder)trans-146.4142.6168.700000110.6T45 G61 I62T45-G47 PolarHBondContact O-N 3.42Å; T45-G47 PolarHBondContact OG1-O 2.78Å; G47-G61 CarbonylContact O-C 3.6Å; G47-I62 PolarHBondContact N-O 2.82Å; G47-I62 VanDerWaalsContact N-O 3.17Å; G47-I62 PolarHBondContact O-N 2.9Å
48S91.3Very high87.8Confident0 Ų036 Ų360%021%0.209CC..EExtended strand (participates in β ladder)trans-145.5150.4171.557.80000111D40 V41 V42 V60D40-S48 WeakPolarHBondContact CA-OG 3.45Å; D40-S48 PolarHBondContact N-O 2.88Å; V41-S48 PolarHBondContact N-OG 3.04Å; V42-S48 PolarHBondContact N-OG 2.97Å; V42-S48 PolarHBondContact O-OG 2.82Å; S48-V60 CarbonylContact C-O 3.58Å; S48-V60 VanDerWaalsContact CA-O 3.25Å; S48-V60 WeakPolarHBondContact CA-O 3.43Å
49A91.8Very high88Confident0 Ų035.7 Ų35.70%021%0.209CC..EExtended strand (participates in β ladder)trans-150147.4172.200000110.5E38 V60 A158 A159E38-A49 CarbonylContact O-C 3.56Å; E38-A49 VanDerWaalsContact O-CA 3.3Å; E38-A49 WeakPolarHBondContact O-CA 3.15Å; A49-V60 PolarHBondContact N-O 2.96Å; A49-V60 PolarHBondContact O-N 3.16Å; A49-A158 HydrophobicContact CB-CB 3.69Å; A49-A159 HydrophobicContact CB-CB 3.88Å
50K91.6Very high88.4Confident26 Ų2634.1 Ų34.111%0.11320%0.199CC..EExtended strand (participates in β ladder)trans-120.1135.9170.7177.5-177.6156.7-143.10108.1E38 V41 V58 L59 G288 F289E38-K50 HydrophobicContact CB-CB 4.43Å; E38-K50 PolarHBondContact N-O 3Å; E38-K50 PolarHBondContact O-N 3.31Å; E38-K50 IonicContact OE2-NZ 2.6Å; E38-K50 PolarHBondContact OE2-NZ 3.44Å; V41-K50 HydrophobicContact CG2-CB 3.72Å; K50-V58 CarbonylContact C-O 3.57Å; K50-V58 WeakPolarHBondContact CA-O 3.49Å; K50-L59 HydrophobicContact CB-CD1 3.95Å; K50-G288 PolarHBondContact NZ-O 3.01Å; K50-F289 HydrophobicContact CD-CE1 4.3Å; K50-F289 HydrophobicContact CD-CZ 4.36Å
51V91.3Very high88.9Confident0 Ų032.7 Ų32.70%019%0.194CC..EExtended strand (participates in β ladder)trans-126.1127.7176.4177.60000108.5M35 E36 V37 A57 V58 V154 A155M35-V51 HydrophobicContact CE-CG1 3.69Å; M35-V51 HydrophobicContact CG-CG1 3.69Å; M35-V51 HydrophobicContact SD-CG1 3.83Å; E36-V51 CarbonylContact O-C 2.97Å; E36-V51 WeakPolarHBondContact O-CA 3.43Å; V37-V51 HydrophobicContact CB-CG2 4.48Å; V37-V51 HydrophobicContact CG1-CG2 4.14Å; V37-V51 HydrophobicContact CG2-CG1 4.43Å; V37-V51 HydrophobicContact CG2-CG2 4.1Å; V51-A57 WeakPolarHBondContact O-CA 3.17Å; V51-V58 PolarHBondContact N-O 3.37Å; V51-V58 PolarHBondContact O-N 2.89Å; V51-V154 HydrophobicContact CG2-CG1 4.23Å; V51-A155 HydrophobicContact CB-CB 4.07Å; V51-A155 HydrophobicContact CG2-CB 3.55Å
52T90.5Very high89.4Confident24 Ų2431.4 Ų31.415%0.14719%0.186CC..EExtended strand (participates in β ladder)trans-114.4112.6173.9-47.60000107.8M35 E36 T56M35-T52 WeakPolarHBondContact CA-O 3.37Å; E36-T52 PolarHBondContact N-O 2.8Å; E36-T52 PolarHBondContact O-N 3.29Å; T52-T56 CarbonylContact C-O 3.6Å; T52-T56 WeakPolarHBondContact CA-O 3.48Å
53L88.1Confident89.7Confident2 Ų233.6 Ų33.61%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-111.694.6175.4-177.869.2000108.2R33 M35 H55 T56 N147 A151R33-L53 HydrophobicContact CB-CD1 4.1Å; M35-L53 HydrophobicContact CB-CD1 3.76Å; M35-L53 HydrophobicContact CE-CB 4.15Å; M35-L53 HydrophobicContact CE-CD1 3.9Å; M35-L53 HydrophobicContact CE-CD2 4.12Å; M35-L53 HydrophobicContact CE-CG 4.28Å; M35-L53 HydrophobicContact CG-CB 4.49Å; M35-L53 HydrophobicContact CG-CD1 4.02Å; L53-H55 PolarHBondContact O-N 3.2Å; L53-T56 PolarHBondContact N-O 3.27Å; L53-T56 PolarHBondContact O-N 3.28Å; L53-N147 HydrophobicContact CD2-CB 4.12Å; L53-A151 HydrophobicContact CB-CB 4.46Å; L53-A151 HydrophobicContact CD2-CB 4.49Å
54G85.7Confident90Very high35 Ų3529.2 Ų29.236%0.36116%0.162SC..THydrogen-bonded Turntrans56.6-110-171.200000111.6H34H34-G54 PolarHBondContact O-N 2.67Å
55H85.2Confident90.1Very high131 Ų13125.5 Ų25.561%0.60614%0.14SC*.THydrogen-bonded Turntrans-101.48.9178.2-61.7-73.4000113.7L53 Q143 D145L53-H55 PolarHBondContact O-N 3.2Å; H55-Q143 WeakPolarHBondContact O-CB 3.43Å; H55-D145 HydrophobicContact CB-CB 3.48Å; H55-D145 VanDerWaalsContact CB-CB 3.48Å
56T87.9Confident90.2Very high1 Ų126.8 Ų26.81%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-100119.3172-66.90000108.9T52 L53 V58 D145 G146 L148 A151T52-T56 CarbonylContact C-O 3.6Å; T52-T56 WeakPolarHBondContact CA-O 3.48Å; L53-T56 PolarHBondContact N-O 3.27Å; L53-T56 PolarHBondContact O-N 3.28Å; T56-V58 HydrophobicContact CG2-CG2 4.2Å; T56-D145 WeakPolarHBondContact OG1-CA 3.45Å; T56-D145 PolarHBondContact OG1-N 2.79Å; T56-G146 PolarHBondContact OG1-O 3.24Å; T56-L148 HydrophobicContact CG2-CD2 3.79Å; T56-A151 HydrophobicContact CG2-CB 4.15Å
57A90.5Very high90.1Very high7 Ų725.2 Ų25.26%0.05814%0.141CC..EExtended strand (participates in β ladder)trans-120.3126.5178.500000109.9V51 L142 Q143V51-A57 WeakPolarHBondContact O-CA 3.17Å; A57-L142 HydrophobicContact CB-CB 4.03Å; A57-L142 HydrophobicContact CB-CD1 4.48Å; A57-L142 WeakPolarHBondContact O-CB 2.94Å; A57-L142 PolarHBondContact O-N 3.03Å; A57-Q143 HydrophobicContact CB-CB 4.15Å; A57-Q143 HydrophobicContact CB-CG 4.36Å; A57-Q143 PolarHBondContact N-O 2.86Å; A57-Q143 PolarHBondContact O-N 3.37Å; A57-Q143 VanDerWaalsContact O-N 3.16Å
58V92.2Very high89.9Confident0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-127132.7-179.3-1770000108.9K50 V51 T56 V60 V139 L141 A151 I152 A155K50-V58 CarbonylContact C-O 3.57Å; K50-V58 WeakPolarHBondContact CA-O 3.49Å; V51-V58 PolarHBondContact N-O 3.37Å; V51-V58 PolarHBondContact O-N 2.89Å; T56-V58 HydrophobicContact CG2-CG2 4.2Å; V58-V60 HydrophobicContact CG1-CG2 4.1Å; V58-V139 HydrophobicContact CG1-CG1 3.68Å; V58-L141 HydrophobicContact CB-CD2 4.5Å; V58-L141 HydrophobicContact CG1-CD2 4.13Å; V58-L141 HydrophobicContact CG2-CD2 3.76Å; V58-A151 HydrophobicContact CG2-CB 3.97Å; V58-I152 HydrophobicContact CG1-CG1 4.07Å; V58-I152 HydrophobicContact CG2-CG1 4.24Å; V58-A155 HydrophobicContact CG1-CB 4.32Å
59L92.9Very high89.5Confident23 Ų2333.7 Ų33.712%0.1218%0.18CC..EExtended strand (participates in β ladder)trans-110.9133.3171.4-178.969.1000108.6V41 V42 K50 L140 L142V41-L59 HydrophobicContact CB-CD1 4.2Å; V41-L59 HydrophobicContact CG1-CD1 4.08Å; V42-L59 HydrophobicContact CG2-CD1 4.35Å; V42-L59 HydrophobicContact CG2-CD2 4.24Å; K50-L59 HydrophobicContact CB-CD1 3.95Å; L59-L140 HydrophobicContact CB-CB 4.35Å; L59-L140 HydrophobicContact CD2-CD2 4.31Å; L59-L140 PolarHBondContact N-O 2.93Å; L59-L140 PolarHBondContact O-N 3.06Å; L59-L142 HydrophobicContact CB-CD1 4.27Å
60V94.1Very high89Confident0 Ų039.3 Ų39.30%020%0.201CC..EExtended strand (participates in β ladder)trans-123.4130.2175.91790000109.3S48 A49 V58 I62 V137 D138 V139 A155 I156 A159S48-V60 CarbonylContact C-O 3.58Å; S48-V60 VanDerWaalsContact CA-O 3.25Å; S48-V60 WeakPolarHBondContact CA-O 3.43Å; A49-V60 PolarHBondContact N-O 2.96Å; A49-V60 PolarHBondContact O-N 3.16Å; V58-V60 HydrophobicContact CG1-CG2 4.1Å; V60-I62 HydrophobicContact CG1-CG1 4.36Å; V60-V137 HydrophobicContact CG1-CG1 3.82Å; V60-D138 CarbonylContact C-O 3.55Å; V60-D138 VanDerWaalsContact CA-O 3.31Å; V60-D138 WeakPolarHBondContact CA-O 3.48Å; V60-V139 HydrophobicContact CG2-CB 4.39Å; V60-V139 HydrophobicContact CG2-CG1 4.16Å; V60-V139 HydrophobicContact CG2-CG2 4.07Å; V60-A155 HydrophobicContact CB-CB 4.25Å; V60-A155 HydrophobicContact CG2-CB 3.44Å; V60-A155 VanDerWaalsContact CG2-CB 3.44Å; V60-I156 HydrophobicContact CG1-CG1 4.18Å; V60-I156 HydrophobicContact CG2-CG1 4.27Å; V60-A159 HydrophobicContact CB-CB 4.22Å; V60-A159 HydrophobicContact CG1-CB 3.83Å
61G93.7Very high88.1Confident12 Ų1244.4 Ų44.412%0.12424%0.237CC..EExtended strand (participates in β ladder)trans-114.2141.6169.400000110.1G47 D138G47-G61 CarbonylContact O-C 3.6Å; G61-D138 PolarHBondContact N-O 2.84Å; G61-D138 PolarHBondContact O-N 3.44Å
62I93.4Very high87.3Confident0 Ų053.2 Ų53.20%028%0.28CS..EExtended strand (participates in β ladder)trans-122.8125.5174.7-58.2-177.9000107.8T45 D46 G47 V60 L135 Y136 V137 A159 L160 T163T45-I62 WeakPolarHBondContact CB-O 3.35Å; D46-I62 PolarHBondContact N-O 2.83Å; D46-I62 VanDerWaalsContact N-O 3.07Å; G47-I62 PolarHBondContact N-O 2.82Å; G47-I62 VanDerWaalsContact N-O 3.17Å; G47-I62 PolarHBondContact O-N 2.9Å; V60-I62 HydrophobicContact CG1-CG1 4.36Å; I62-L135 HydrophobicContact CG2-CB 4.45Å; I62-Y136 CarbonylContact C-O 3.59Å; I62-Y136 VanDerWaalsContact CA-O 3.29Å; I62-Y136 WeakPolarHBondContact CA-O 3.36Å; I62-V137 HydrophobicContact CD1-CG2 4.38Å; I62-V137 HydrophobicContact CG1-CG1 4.3Å; I62-V137 HydrophobicContact CG1-CG2 4.17Å; I62-A159 HydrophobicContact CD1-CB 3.52Å; I62-A159 HydrophobicContact CG1-CB 3.89Å; I62-L160 HydrophobicContact CD1-CB 4.32Å; I62-L160 HydrophobicContact CD1-CD2 3.69Å; I62-L160 HydrophobicContact CD1-CG 3.71Å; I62-T163 HydrophobicContact CG2-CG2 4.16Å
63K92.3Very high86.7Confident95 Ų9554.9 Ų54.941%0.41329%0.29SS..EExtended strand (participates in β ladder)trans-118.4129.1174.5-167.4-175.3-176.6-160.90109.6D46 E65 Y136D46-K63 WeakPolarHBondContact OD2-CA 3.45Å; K63-E65 HydrophobicContact CD-CG 4.25Å; K63-E65 WeakPolarHBondContact CE-OE1 3.13Å; K63-E65 HydrophobicContact CG-CG 4.33Å; K63-E65 IonicContact NZ-OE1 2.86Å; K63-E65 PolarHBondContact NZ-OE1 3.06Å; K63-Y136 PolarHBondContact N-O 3.05Å; K63-Y136 PolarHBondContact O-N 3.35Å
64A89.6Confident86Confident13 Ų1356.4 Ų56.411%0.10730%0.303CS..EExtended strand (participates in β ladder)trans-96.4122175.300000109.8D46 W133 L135 I165D46-A64 PolarHBondContact OD2-N 3.26Å; A64-W133 HydrophobicContact CB-CE3 3.85Å; A64-W133 HydrophobicContact CB-CZ3 3.87Å; A64-L135 HydrophobicContact CB-CD2 3.66Å; A64-I165 HydrophobicContact CB-CG1 4.38Å
65E88.6Confident85.6Confident77 Ų7760.1 Ų60.136%0.3632%0.315SS..EExtended strand (participates in β ladder)trans-123.4151.2174.4-62.6-168.2146.600110.6K63 V134 Y136K63-E65 HydrophobicContact CD-CG 4.25Å; K63-E65 WeakPolarHBondContact CE-OE1 3.13Å; K63-E65 HydrophobicContact CG-CG 4.33Å; K63-E65 IonicContact NZ-OE1 2.86Å; K63-E65 PolarHBondContact NZ-OE1 3.06Å; E65-V134 PolarHBondContact N-O 3.3Å; E65-V134 PolarHBondContact O-N 2.97Å; E65-Y136 HydrophobicContact CB-CD2 4.25Å; E65-Y136 HydrophobicContact CB-CE2 4.01Å; E65-Y136 HydrophobicContact CG-CD2 4.06Å; E65-Y136 HydrophobicContact CG-CE2 4.16Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.02Å
66I87.3Confident85.5Confident62 Ų6256.2 Ų56.232%0.31830%0.297SS..EExtended strand (participates in β ladder)trans-90.3115.6174.9-58176.7000107.7I126 H131 W133 V168 I180I66-I126 HydrophobicContact CD1-CD1 4.2Å; I66-I126 HydrophobicContact CG1-CD1 4.09Å; I66-I126 HydrophobicContact CG2-CD1 3.91Å; I66-H131 HydrophobicContact CG2-CB 4.1Å; I66-W133 HydrophobicContact CD1-CH2 3.95Å; I66-W133 HydrophobicContact CD1-CZ2 4.16Å; I66-W133 HydrophobicContact CD1-CZ3 4.33Å; I66-W133 HydrophobicContact CG1-CD2 4.24Å; I66-W133 HydrophobicContact CG1-CE3 3.86Å; I66-W133 HydrophobicContact CG1-CH2 3.72Å; I66-W133 HydrophobicContact CG1-CZ2 4.09Å; I66-W133 HydrophobicContact CG1-CZ3 3.6Å; I66-V168 HydrophobicContact CD1-CG1 3.81Å; I66-I180 HydrophobicContact CD1-CD1 4.4Å; I66-I180 HydrophobicContact CD1-CG2 3.91Å; I66-I180 HydrophobicContact CG2-CD1 3.99Å
67G85.1Confident85.3Confident22 Ų2256.2 Ų56.223%0.22730%0.297CS..EExtended strand (participates in β ladder)trans-125.6-179.2-179.600000112.3H131 C132G67-H131 WeakPolarHBondContact O-CA 3.47Å; G67-C132 PolarHBondContact N-O 3.42Å; G67-C132 PolarHBondContact O-N 3.16Å; G67-C132 VanDerWaalsContact O-O 3.11Å
68K84.2Confident85.1Confident162 Ų16258 Ų5870%0.70430%0.303SS*.PPolyproline II helixtrans-87.9135.1170.7-68.8-176.5176.7-179.10109.4
69P83.5Confident84.9Confident15 Ų1558.8 Ų58.810%0.09731%0.306CS..PPolyproline II helixtrans-67.3160.2177.326.7-32.9000111.4C132P69-C132 WeakPolarHBondContact CA-SG 2.99Å; P69-C132 HydrophobicContact CB-CB 4Å; P69-C132 HydrophobicContact CG-CB 4.4Å
70R80.7Confident84.7Confident118 Ų11860.4 Ų60.445%0.44531%0.314SS..PPolyproline II helixtrans-64.6136.9175.5-66.9-178.7179.9-174.7-0.7109.5M72 V73 Y78R70-M72 PolarHBondContact O-N 2.97Å; R70-M72 VanDerWaalsContact O-N 3.07Å; R70-V73 HydrophobicContact CB-CG2 4.04Å; R70-V73 CarbonylContact O-C 3.24Å; R70-V73 VanDerWaalsContact O-C 3.24Å; R70-V73 PolarHBondContact O-N 3.19Å; R70-Y78 HydrophobicContact CG-CD1 4.18Å; R70-Y78 HydrophobicContact CG-CE1 4.27Å
71P73.1Confident84.6Confident134 Ų13460.9 Ų60.987%0.8732%0.316SS*.THydrogen-bonded Turntrans-62.7-23.1-174.323.4-33.9000113.9
72M74.8Confident84.5Confident185 Ų18566.2 Ų66.291%0.91134%0.336SS*.THydrogen-bonded Turntrans-75.1-28.7175.2-90.6-178.6153.500113.7R70R70-M72 PolarHBondContact O-N 2.97Å; R70-M72 VanDerWaalsContact O-N 3.07Å
73V77.1Confident84.4Confident58 Ų5866.6 Ų66.635%0.35234%0.338SS..  trans-137.774.7-173.5-720000109.3R70 N75 E76R70-V73 HydrophobicContact CB-CG2 4.04Å; R70-V73 CarbonylContact O-C 3.24Å; R70-V73 VanDerWaalsContact O-C 3.24Å; R70-V73 PolarHBondContact O-N 3.19Å; V73-N75 PolarHBondContact O-N 3.4Å; V73-N75 VanDerWaalsContact O-N 3.16Å; V73-E76 HydrophobicContact CB-CG 3.86Å; V73-E76 WeakPolarHBondContact CB-OE1 3.46Å; V73-E76 WeakPolarHBondContact CG1-OE1 3.35Å; V73-E76 HydrophobicContact CG2-CG 3.95Å; V73-E76 WeakPolarHBondContact CG2-OE1 3.37Å
74A74Confident84.3Confident35 Ų3565.9 Ų65.929%0.28934%0.339SS..THydrogen-bonded Turntrans-68.8-10.9-174.600000114.7P128 G129A74-P128 WeakPolarHBondContact O-CA 3.2Å; A74-G129 PolarHBondContact O-N 3.2Å
75N78.2Confident84.1Confident112 Ų11265.8 Ų65.860%0.59934%0.337SS*.THydrogen-bonded Turntrans-104.51.8-169.9-68.1-21.5000114V73 C125 P128V73-N75 PolarHBondContact O-N 3.4Å; V73-N75 VanDerWaalsContact O-N 3.16Å; N75-C125 WeakPolarHBondContact O-CB 3.36Å; N75-P128 VanDerWaalsContact OD1-CB 3.23Å; N75-P128 WeakPolarHBondContact OD1-CB 3.34Å
76E82.9Confident83.9Confident50 Ų5063.4 Ų63.423%0.23433%0.329CS..  trans-133.8143.7-177.664.6-171.6-175.800111.3V73 L121V73-E76 HydrophobicContact CB-CG 3.86Å; V73-E76 WeakPolarHBondContact CB-OE1 3.46Å; V73-E76 WeakPolarHBondContact CG1-OE1 3.35Å; V73-E76 HydrophobicContact CG2-CG 3.95Å; V73-E76 WeakPolarHBondContact CG2-OE1 3.37Å; E76-L121 WeakPolarHBondContact CA-O 3.34Å; E76-L121 HydrophobicContact CB-CB 3.79Å
77G83.5Confident83.5Confident1 Ų162.4 Ų62.41%0.0133%0.33CS..  trans-70.3172.3165.100000111.1L121 W133G77-L121 PolarHBondContact N-O 2.9Å; G77-W133 WeakPolarHBondContact CA-O 3.37Å
78Y85.5Confident83.2Confident45 Ų4567.5 Ų67.518%0.17635%0.352CS..EExtended strand (participates in β ladder)trans-139.5157.5175.264.1-87.7000111.6R70 E80 V134 L135R70-Y78 HydrophobicContact CG-CD1 4.18Å; R70-Y78 HydrophobicContact CG-CE1 4.27Å; Y78-E80 HydrophobicContact CD2-CG 3.77Å; Y78-E80 HydrophobicContact CE2-CG 3.52Å; Y78-V134 HydrophobicContact CD1-CG2 4.28Å; Y78-V134 HydrophobicContact CD2-CG1 4Å; Y78-V134 HydrophobicContact CE1-CG1 4.39Å; Y78-V134 HydrophobicContact CE1-CG2 3.61Å; Y78-V134 HydrophobicContact CE2-CB 4.5Å; Y78-V134 HydrophobicContact CE2-CG1 3.49Å; Y78-V134 VanDerWaalsContact CE2-CG1 3.49Å; Y78-V134 HydrophobicContact CE2-CG2 4.22Å; Y78-V134 WeakPolarHBondContact O-CA 3.43Å; Y78-L135 PolarHBondContact O-N 3.26Å; Y78-L135 VanDerWaalsContact O-N 3.14Å
79L88.1Confident82.7Confident15 Ų1560.6 Ų60.68%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-103.6137.3175.4-67.285.3000108.7F81 Y110 L119 L121 L135 V137 L160L79-F81 HydrophobicContact CB-CE2 3.85Å; L79-F81 HydrophobicContact CB-CZ 3.84Å; L79-F81 HydrophobicContact CD2-CE1 4.4Å; L79-F81 HydrophobicContact CD2-CZ 3.87Å; L79-F81 HydrophobicContact CG-CZ 4.49Å; L79-Y110 WeakPolarHBondContact O-CE1 3.28Å; L79-L119 HydrophobicContact CD1-CD1 3.72Å; L79-L119 HydrophobicContact CD2-CD1 3.62Å; L79-L119 HydrophobicContact CG-CD1 4.36Å; L79-L121 HydrophobicContact CD1-CD2 3.46Å; L79-L121 VanDerWaalsContact CD1-CD2 3.46Å; L79-L135 WeakPolarHBondContact CA-O 3.46Å; L79-L135 HydrophobicContact CG-CB 4.16Å; L79-L135 HydrophobicContact CG-CD1 4.38Å; L79-V137 HydrophobicContact CD2-CG2 4.29Å; L79-L160 HydrophobicContact CD2-CD2 4.44Å
80E89.8Confident82.3Confident58 Ų5860.7 Ų60.727%0.27133%0.325SS..EExtended strand (participates in β ladder)trans-111.7128.5167.9-62.8-156.480.500109.6Y78 Y110 V134 L135 Y136 V137Y78-E80 HydrophobicContact CD2-CG 3.77Å; Y78-E80 HydrophobicContact CE2-CG 3.52Å; E80-Y110 WeakPolarHBondContact CA-OH 3.44Å; E80-V134 HydrophobicContact CG-CG1 4.37Å; E80-L135 PolarHBondContact N-O 3.33Å; E80-Y136 HydrophobicContact CB-CD1 3.81Å; E80-Y136 HydrophobicContact CB-CE1 3.88Å; E80-Y136 HydrophobicContact CG-CD1 4.44Å; E80-Y136 HydrophobicContact CG-CE1 4.03Å; E80-Y136 WeakPolarHBondContact OE2-CE1 3.35Å; E80-Y136 PolarHBondContact OE2-OH 2.87Å; E80-Y136 VanDerWaalsContact OE2-OH 3.08Å; E80-V137 PolarHBondContact O-N 2.67Å
81F91.9Very high82Confident9 Ų959.7 Ų59.74%0.03933%0.334CS..EExtended strand (participates in β ladder)trans-107.1117.2-179.5-61.5-80.7000110.1L79 S106 L109 Y110 F113 V137 I156L79-F81 HydrophobicContact CB-CE2 3.85Å; L79-F81 HydrophobicContact CB-CZ 3.84Å; L79-F81 HydrophobicContact CD2-CE1 4.4Å; L79-F81 HydrophobicContact CD2-CZ 3.87Å; L79-F81 HydrophobicContact CG-CZ 4.49Å; F81-S106 PolarHBondContact O-OG 3.25Å; F81-L109 HydrophobicContact CB-CB 4.27Å; F81-L109 HydrophobicContact CB-CD1 4.24Å; F81-L109 HydrophobicContact CD1-CB 4.15Å; F81-L109 HydrophobicContact CD1-CD1 4.15Å; F81-L109 HydrophobicContact CD2-CB 4.12Å; F81-L109 HydrophobicContact CG-CB 3.91Å; F81-L109 HydrophobicContact CG-CD1 4.33Å; F81-Y110 HydrophobicContact CB-CE2 4.34Å; F81-Y110 AromaticContact CD2-CD1 3.85Å; F81-Y110 HydrophobicContact CD2-CD1 3.85Å; F81-Y110 AromaticContact CD2-CE1 3.88Å; F81-Y110 HydrophobicContact CD2-CE1 3.88Å; F81-Y110 HydrophobicContact CD2-CG 4.18Å; F81-Y110 HydrophobicContact CE2-CD1 4.35Å; F81-Y110 PolarHBondContact N-OH 3.28Å; F81-Y110 VanDerWaalsContact N-OH 3.11Å; F81-F113 AromaticContact CE1-CD2 3.79Å; F81-F113 HydrophobicContact CE1-CD2 3.79Å; F81-F113 AromaticContact CE1-CE2 3.89Å; F81-F113 HydrophobicContact CE1-CE2 3.89Å; F81-F113 HydrophobicContact CE1-CG 4.45Å; F81-F113 HydrophobicContact CE2-CB 3.9Å; F81-F113 AromaticContact CE2-CD2 3.77Å; F81-F113 HydrophobicContact CE2-CD2 3.77Å; F81-F113 HydrophobicContact CE2-CG 4.06Å; F81-F113 HydrophobicContact CZ-CB 3.85Å; F81-F113 HydrophobicContact CZ-CD1 4.31Å; F81-F113 AromaticContact CZ-CD2 3.19Å; F81-F113 HydrophobicContact CZ-CD2 3.19Å; F81-F113 AromaticContact CZ-CE2 3.77Å; F81-F113 HydrophobicContact CZ-CE2 3.77Å; F81-F113 AromaticContact CZ-CG 3.53Å; F81-F113 HydrophobicContact CZ-CG 3.53Å; F81-V137 WeakPolarHBondContact CA-O 3.38Å; F81-V137 HydrophobicContact CD1-CB 3.68Å; F81-V137 HydrophobicContact CD1-CG1 3.9Å; F81-V137 HydrophobicContact CD1-CG2 4.15Å; F81-V137 HydrophobicContact CE1-CB 3.93Å; F81-V137 HydrophobicContact CE1-CG1 4.09Å; F81-V137 HydrophobicContact CE1-CG2 3.9Å; F81-I156 HydrophobicContact CD1-CD1 4.3Å; F81-I156 HydrophobicContact CE1-CD1 4.26Å; F81-I156 HydrophobicContact CE1-CG2 4.42Å
82F91.9Very high82Confident124 Ų12458.3 Ų58.354%0.54432%0.316SS..EExtended strand (participates in β ladder)trans-109.7133.9169.3-171.4-107.2000109.3D84 V137 D138 V139F82-D84 HydrophobicContact CD1-CB 4.44Å; F82-D84 HydrophobicContact CE1-CB 3.91Å; F82-V137 PolarHBondContact N-O 2.96Å; F82-D138 WeakPolarHBondContact CB-OD1 3.29Å; F82-V139 PolarHBondContact O-N 2.98Å
83V91.1Very high82Confident9 Ų950.3 Ų50.36%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-123.4108.7179.3-177.60000108.1L105 S106 L109 V139V83-L105 HydrophobicContact CB-CB 4.34Å; V83-L105 HydrophobicContact CG1-CB 4.12Å; V83-L105 HydrophobicContact CG1-CD1 3.84Å; V83-L105 HydrophobicContact CG2-CB 4Å; V83-S106 WeakPolarHBondContact CG2-OG 3.27Å; V83-L109 HydrophobicContact CG2-CD1 3.99Å; V83-V139 CarbonylContact C-O 3.59Å; V83-V139 WeakPolarHBondContact CA-O 3.44Å; V83-V139 HydrophobicContact CB-CB 4.47Å; V83-V139 HydrophobicContact CG1-CB 4.36Å; V83-V139 HydrophobicContact CG1-CG1 4.41Å; V83-V139 HydrophobicContact CG2-CB 4.1Å; V83-V139 HydrophobicContact CG2-CG2 4.31Å
84D89.8Confident81.9Confident79 Ų7954.1 Ų54.142%0.42229%0.29SS..EExtended strand (participates in β ladder)trans-94.6123.5175-166.49000110.6F82 V139 L140 L141F82-D84 HydrophobicContact CD1-CB 4.44Å; F82-D84 HydrophobicContact CE1-CB 3.91Å; D84-V139 PolarHBondContact N-O 3.34Å; D84-L140 HydrophobicContact CB-CD1 3.98Å; D84-L141 PolarHBondContact O-N 3.49Å
85C84.4Confident82.1Confident12 Ų1256.4 Ų56.48%0.08132%0.317CS..EExtended strand (participates in β ladder)trans-97.994.4177.5-64.20000108.1F93C85-F93 HydrophobicContact CB-CD2 4.25Å; C85-F93 HydrophobicContact CB-CG 4.25Å
86S84.1Confident82.1Confident26 Ų2661.4 Ų61.418%0.18233%0.327CS..  trans-61.9141.9179.4-169.40000111.5N88 A89 L141S86-N88 PolarHBondContact O-N 3.36Å; S86-N88 VanDerWaalsContact O-N 3.11Å; S86-N88 PolarHBondContact OG-N 3.05Å; S86-A89 PolarHBondContact O-N 3.37Å; S86-L141 WeakPolarHBondContact CB-O 3.35Å; S86-L141 PolarHBondContact N-O 2.96Å
87A80.6Confident81.8Confident41 Ų4161 Ų6134%0.33934%0.337SS..THydrogen-bonded Turntrans-58.9-19.9171.200000112.9A89 T90 E94A87-A89 PolarHBondContact O-N 2.9Å; A87-T90 CarbonylContact O-C 3.54Å; A87-E94 HydrophobicContact CB-CG 3.83Å
88N79Confident81.6Confident130 Ų13061.3 Ų61.370%0.69534%0.34SS*.THydrogen-bonded Turntrans-63.9-29.6174.8-69.4-1.6000112.9S86 L142S86-N88 PolarHBondContact O-N 3.36Å; S86-N88 VanDerWaalsContact O-N 3.11Å; S86-N88 PolarHBondContact OG-N 3.05Å; N88-L142 CarbonylContact C-O 3.57Å
89A73Confident81.6Confident16 Ų1665.6 Ų65.613%0.13236%0.362CS..THydrogen-bonded Turntrans-72.9-47.7-176.500000111.2S86 A87 F93 L142 C144S86-A89 PolarHBondContact O-N 3.37Å; A87-A89 PolarHBondContact O-N 2.9Å; A89-F93 HydrophobicContact CB-CD2 4.11Å; A89-F93 HydrophobicContact CB-CE2 4.11Å; A89-L142 WeakPolarHBondContact CA-O 3.48Å; A89-L142 PolarHBondContact N-O 3.3Å; A89-C144 HydrophobicContact CB-CB 4.13Å
90T74.3Confident81.5Confident17 Ų1772.7 Ų72.710%0.10439%0.394CS..  trans-149.6143.316758.40000110A2 A87 E92 F93A2-T90 HydrophobicContact CB-CG2 4.09Å; A87-T90 CarbonylContact O-C 3.54Å; T90-E92 PolarHBondContact O-N 3.11Å; T90-E92 VanDerWaalsContact O-N 3.11Å; T90-F93 HydrophobicContact CG2-CE2 4.34Å; T90-F93 WeakPolarHBondContact O-CB 3.29Å; T90-F93 PolarHBondContact O-N 2.79Å; T90-F93 WeakPolarHBondContact OG1-CD2 3.47Å; T90-F93 WeakPolarHBondContact OG1-CE2 3.43Å; T90-F93 WeakPolarHBondContact OG1-CG 3Å; T90-F93 WeakPolarHBondContact OG1-CZ 3.38Å
91P75.7Confident81.3Confident97 Ų9771.4 Ų71.463%0.6339%0.389SS*.G310 helixtrans-62.8-20.5-179.626-35.1000113.1F93 E94P91-F93 PolarHBondContact O-N 2.65Å; P91-E94 WeakPolarHBondContact O-CB 3.32Å; P91-E94 WeakPolarHBondContact O-CG 3.48Å; P91-E94 PolarHBondContact O-N 2.92Å; P91-E94 VanDerWaalsContact O-N 3.16Å
92E72.8Confident81.1Confident106 Ų10671.2 Ų71.250%0.49539%0.39SS..G310 helixtrans-70-10.9174.5-73.8175.174.800114.1A2 T90 E94A2-E92 WeakPolarHBondContact CA-OE2 3.43Å; A2-E92 WeakPolarHBondContact CB-OE2 3.49Å; T90-E92 PolarHBondContact O-N 3.11Å; T90-E92 VanDerWaalsContact O-N 3.11Å; E92-E94 VanDerWaalsContact C-N 3.27Å
93F73.8Confident81Confident16 Ų1668.8 Ų68.87%0.0739%0.385CS..G310 helixtrans-84.4-0.6171.8-59.8-33.8000113.2C85 A89 T90 P91 G95 L101C85-F93 HydrophobicContact CB-CD2 4.25Å; C85-F93 HydrophobicContact CB-CG 4.25Å; A89-F93 HydrophobicContact CB-CD2 4.11Å; A89-F93 HydrophobicContact CB-CE2 4.11Å; T90-F93 HydrophobicContact CG2-CE2 4.34Å; T90-F93 WeakPolarHBondContact O-CB 3.29Å; T90-F93 PolarHBondContact O-N 2.79Å; T90-F93 WeakPolarHBondContact OG1-CD2 3.47Å; T90-F93 WeakPolarHBondContact OG1-CE2 3.43Å; T90-F93 WeakPolarHBondContact OG1-CG 3Å; T90-F93 WeakPolarHBondContact OG1-CZ 3.38Å; P91-F93 PolarHBondContact O-N 2.65Å; F93-G95 PolarHBondContact O-N 3.17Å; F93-L101 HydrophobicContact CD1-CD1 4.44Å; F93-L101 HydrophobicContact CE1-CD1 3.39Å; F93-L101 HydrophobicContact CZ-CD1 3.77Å
94E74.5Confident80.9Confident139 Ų13970.9 Ų70.965%0.6540%0.395SS*.THydrogen-bonded Turntrans-59.3135.9173.3-75.2-174.9177.300112.2A87 P91 E92 R96A87-E94 HydrophobicContact CB-CG 3.83Å; P91-E94 WeakPolarHBondContact O-CB 3.32Å; P91-E94 WeakPolarHBondContact O-CG 3.48Å; P91-E94 PolarHBondContact O-N 2.92Å; P91-E94 VanDerWaalsContact O-N 3.16Å; E92-E94 VanDerWaalsContact C-N 3.27Å; E94-R96 PolarHBondContact O-N 3.03Å
95G79Confident80.9Confident82 Ų8267.4 Ų67.485%0.84538%0.376SS*.THydrogen-bonded Turntrans71.5-116-179.200000112.6F93F93-G95 PolarHBondContact O-N 3.17Å
96R79.3Confident81.3Confident217 Ų21767.5 Ų67.582%0.81938%0.377SS*.THydrogen-bonded Turntrans-100.1-0.2-175.5-67.5-173.3175.8-179.2-2.3113.9E94 G98 E99E94-R96 PolarHBondContact O-N 3.03Å; R96-G98 VanDerWaalsContact C-N 3.27Å; R96-G98 PolarHBondContact O-N 3.38Å; R96-E99 PolarHBondContact O-N 3.45Å
97G75.9Confident81.5Confident42 Ų4270.1 Ų70.143%0.43339%0.389SS..THydrogen-bonded Turntrans-64.6-27.8-174.300000114.4
98G79.4Confident82Confident8 Ų868.2 Ų68.28%0.08237%0.373CS..THydrogen-bonded Turntrans-84-16.9179.300000115.4R96 E100 L101 G102R96-G98 VanDerWaalsContact C-N 3.27Å; R96-G98 PolarHBondContact O-N 3.38Å; G98-E100 PolarHBondContact O-N 3.35Å; G98-L101 PolarHBondContact O-N 2.94Å; G98-G102 PolarHBondContact O-N 3.39Å
99E85.3Confident82.4Confident135 Ų13562.2 Ų62.263%0.63134%0.341SS*.Hα-helixtrans-66.6-36.9-169.3-169.8176.690.900112.8R96 G102 T103R96-E99 PolarHBondContact O-N 3.45Å; E99-G102 PolarHBondContact O-N 3.31Å; E99-T103 VanDerWaalsContact O-CB 3.3Å; E99-T103 WeakPolarHBondContact O-CB 3.49Å; E99-T103 PolarHBondContact O-N 3.16Å; E99-T103 PolarHBondContact O-OG1 3.47Å
100E86.8Confident83.2Confident163 Ų16365 Ų6576%0.76235%0.348SS*.Hα-helixtrans-63.7-44.2177.4-175.7178.985.500111.3G98 T103 E104G98-E100 PolarHBondContact O-N 3.35Å; E100-T103 PolarHBondContact O-N 3.03Å; E100-E104 PolarHBondContact O-N 2.99Å
101L85.3Confident83.7Confident32 Ų3269.6 Ų69.617%0.16837%0.367CS..Hα-helixtrans-70.5-42.7178.9-69.6173.8000111.6F93 G98 T103 E104 L105F93-L101 HydrophobicContact CD1-CD1 4.44Å; F93-L101 HydrophobicContact CE1-CD1 3.39Å; F93-L101 HydrophobicContact CZ-CD1 3.77Å; G98-L101 PolarHBondContact O-N 2.94Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 3.41Å; L101-E104 PolarHBondContact O-N 3.42Å; L101-L105 WeakPolarHBondContact O-CB 3.34Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 2.93Å; L101-L105 PolarHBondContact O-N 2.82Å
102G87.8Confident84.2Confident5 Ų565.1 Ų65.15%0.05234%0.338CS..Hα-helixtrans-56.7-46.7173.800000111.2G98 E99 E104 L105 S106G98-G102 PolarHBondContact O-N 3.39Å; E99-G102 PolarHBondContact O-N 3.31Å; G102-E104 PolarHBondContact O-N 3.04Å; G102-L105 PolarHBondContact O-N 3.39Å; G102-S106 WeakPolarHBondContact O-CB 3.44Å; G102-S106 PolarHBondContact O-N 3.43Å; G102-S106 PolarHBondContact O-OG 2.88Å
103T89.4Confident84.6Confident73 Ų7360.8 Ų60.845%0.44832%0.317SS..Hα-helixtrans-64-39.5177.4-56.80000112.4E99 E100 L101 N107E99-T103 VanDerWaalsContact O-CB 3.3Å; E99-T103 WeakPolarHBondContact O-CB 3.49Å; E99-T103 PolarHBondContact O-N 3.16Å; E99-T103 PolarHBondContact O-OG1 3.47Å; E100-T103 PolarHBondContact O-N 3.03Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 3.41Å; T103-N107 VanDerWaalsContact O-CB 3.31Å; T103-N107 WeakPolarHBondContact O-CB 3.35Å; T103-N107 VanDerWaalsContact O-CG 3.26Å; T103-N107 PolarHBondContact O-N 3.41Å; T103-N107 PolarHBondContact O-ND2 3.24Å
104E89.4Confident84.8Confident53 Ų5366.4 Ų66.425%0.24835%0.348CS..Hα-helixtrans-64.2-43.3175-172-175.272.900112E100 L101 G102 N107 T108 Y149E100-E104 PolarHBondContact O-N 2.99Å; L101-E104 PolarHBondContact O-N 3.42Å; G102-E104 PolarHBondContact O-N 3.04Å; E104-N107 PolarHBondContact O-N 2.98Å; E104-T108 WeakPolarHBondContact O-CB 3.44Å; E104-T108 PolarHBondContact O-N 3.32Å; E104-T108 PolarHBondContact O-OG1 2.97Å; E104-Y149 PolarHBondContact OE1-OH 3.3Å
105L90.2Very high84.8Confident6 Ų663.2 Ų63.23%0.03134%0.335CS..Hα-helixtrans-63.7-51.9178.1-72.3166.4000110.5V83 L101 G102 N107 T108 L109 L141 Y149 I152V83-L105 HydrophobicContact CB-CB 4.34Å; V83-L105 HydrophobicContact CG1-CB 4.12Å; V83-L105 HydrophobicContact CG1-CD1 3.84Å; V83-L105 HydrophobicContact CG2-CB 4Å; L101-L105 WeakPolarHBondContact O-CB 3.34Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 2.93Å; L101-L105 PolarHBondContact O-N 2.82Å; G102-L105 PolarHBondContact O-N 3.39Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 3.41Å; L105-T108 WeakPolarHBondContact O-CB 3.3Å; L105-T108 PolarHBondContact O-N 2.96Å; L105-L109 WeakPolarHBondContact O-CG 3.27Å; L105-L109 PolarHBondContact O-N 2.67Å; L105-L141 HydrophobicContact CD1-CD1 4.24Å; L105-Y149 HydrophobicContact CD2-CD1 3.42Å; L105-Y149 VanDerWaalsContact CD2-CD1 3.42Å; L105-Y149 HydrophobicContact CD2-CE1 3.21Å; L105-Y149 HydrophobicContact CD2-CG 4.19Å; L105-Y149 HydrophobicContact CG-CE1 4.31Å; L105-I152 HydrophobicContact CD1-CD1 4.14Å; L105-I152 HydrophobicContact CD2-CD1 3.87Å
106S91Very high83.9Confident14 Ų1467.5 Ų67.510%0.09833%0.333CS..Hα-helixtrans-53.7-48.7175.1-71.80000111.7F81 V83 G102 T108 L109 Y110F81-S106 PolarHBondContact O-OG 3.25Å; V83-S106 WeakPolarHBondContact CG2-OG 3.27Å; G102-S106 WeakPolarHBondContact O-CB 3.44Å; G102-S106 PolarHBondContact O-N 3.43Å; G102-S106 PolarHBondContact O-OG 2.88Å; S106-T108 VanDerWaalsContact C-N 3.26Å; S106-T108 PolarHBondContact O-N 3.36Å; S106-L109 PolarHBondContact O-N 3.48Å; S106-Y110 WeakPolarHBondContact O-CD2 3.3Å; S106-Y110 PolarHBondContact O-N 2.6Å
107N90.1Very high83.2Confident80 Ų8062.2 Ų62.243%0.42832%0.318SS..Hα-helixtrans-61.2-33.9178.2-80.4-37.4000113.4T103 E104 L105 K111T103-N107 VanDerWaalsContact O-CB 3.31Å; T103-N107 WeakPolarHBondContact O-CB 3.35Å; T103-N107 VanDerWaalsContact O-CG 3.26Å; T103-N107 PolarHBondContact O-N 3.41Å; T103-N107 PolarHBondContact O-ND2 3.24Å; E104-N107 PolarHBondContact O-N 2.98Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 3.41Å; N107-K111 WeakPolarHBondContact O-CG 3.39Å; N107-K111 PolarHBondContact O-N 3.41Å
108T89.5Confident82.8Confident2 Ų260.5 Ų60.51%0.01230%0.299CS..Hα-helixtrans-71.9-43.3176.7-56.80000110.3E104 L105 S106 K111 V112 Y149E104-T108 WeakPolarHBondContact O-CB 3.44Å; E104-T108 PolarHBondContact O-N 3.32Å; E104-T108 PolarHBondContact O-OG1 2.97Å; L105-T108 WeakPolarHBondContact O-CB 3.3Å; L105-T108 PolarHBondContact O-N 2.96Å; S106-T108 VanDerWaalsContact C-N 3.26Å; S106-T108 PolarHBondContact O-N 3.36Å; T108-K111 PolarHBondContact O-N 2.96Å; T108-V112 VanDerWaalsContact O-CG2 3.3Å; T108-V112 WeakPolarHBondContact O-CG2 3.46Å; T108-V112 PolarHBondContact O-N 3.03Å; T108-Y149 HydrophobicContact CG2-CD1 4.44Å; T108-Y149 HydrophobicContact CG2-CE1 4.48Å
109L88.8Confident82.5Confident4 Ų460.6 Ų60.62%0.02130%0.298CS..Hα-helixtrans-60.5-47.4174.8-65.6171.7000111.4F81 V83 L105 S106 K111 V112 F113 I152 I156 I200F81-L109 HydrophobicContact CB-CB 4.27Å; F81-L109 HydrophobicContact CB-CD1 4.24Å; F81-L109 HydrophobicContact CD1-CB 4.15Å; F81-L109 HydrophobicContact CD1-CD1 4.15Å; F81-L109 HydrophobicContact CD2-CB 4.12Å; F81-L109 HydrophobicContact CG-CB 3.91Å; F81-L109 HydrophobicContact CG-CD1 4.33Å; V83-L109 HydrophobicContact CG2-CD1 3.99Å; L105-L109 WeakPolarHBondContact O-CG 3.27Å; L105-L109 PolarHBondContact O-N 2.67Å; S106-L109 PolarHBondContact O-N 3.48Å; L109-K111 VanDerWaalsContact C-N 3.27Å; L109-K111 PolarHBondContact O-N 2.55Å; L109-V112 PolarHBondContact O-N 2.87Å; L109-F113 HydrophobicContact CB-CD2 4.48Å; L109-F113 HydrophobicContact CD2-CE2 4.24Å; L109-F113 VanDerWaalsContact O-CD2 3.26Å; L109-F113 WeakPolarHBondContact O-CD2 3.36Å; L109-F113 PolarHBondContact O-N 2.77Å; L109-I152 HydrophobicContact CD1-CG2 4.05Å; L109-I152 HydrophobicContact CD2-CG2 4.1Å; L109-I156 HydrophobicContact CD1-CD1 3.82Å; L109-I156 HydrophobicContact CD2-CD1 3.63Å; L109-I156 HydrophobicContact CG-CD1 4.33Å; L109-I200 HydrophobicContact CD2-CD1 4.17Å
110Y88.5Confident82Confident74 Ų7458.5 Ų58.529%0.2929%0.291SS..Hα-helixtrans-52.9-45.3174.2-81.2-64.6000112L79 E80 F81 S106 V112 F113 N114L79-Y110 WeakPolarHBondContact O-CE1 3.28Å; E80-Y110 WeakPolarHBondContact CA-OH 3.44Å; F81-Y110 HydrophobicContact CB-CE2 4.34Å; F81-Y110 AromaticContact CD2-CD1 3.85Å; F81-Y110 HydrophobicContact CD2-CD1 3.85Å; F81-Y110 AromaticContact CD2-CE1 3.88Å; F81-Y110 HydrophobicContact CD2-CE1 3.88Å; F81-Y110 HydrophobicContact CD2-CG 4.18Å; F81-Y110 HydrophobicContact CE2-CD1 4.35Å; F81-Y110 PolarHBondContact N-OH 3.28Å; F81-Y110 VanDerWaalsContact N-OH 3.11Å; S106-Y110 WeakPolarHBondContact O-CD2 3.3Å; S106-Y110 PolarHBondContact O-N 2.6Å; Y110-V112 VanDerWaalsContact C-N 3.33Å; Y110-V112 PolarHBondContact O-N 3.49Å; Y110-F113 PolarHBondContact O-N 2.87Å; Y110-N114 WeakPolarHBondContact O-CB 3.09Å; Y110-N114 PolarHBondContact O-N 3.36Å
111K86.1Confident81.5Confident114 Ų11452 Ų5250%0.49626%0.262SS..Hα-helixtrans-65.3-34.6178-73.1174.6-177.1-174.10113.4N107 T108 L109N107-K111 WeakPolarHBondContact O-CG 3.39Å; N107-K111 PolarHBondContact O-N 3.41Å; T108-K111 PolarHBondContact O-N 2.96Å; L109-K111 VanDerWaalsContact C-N 3.27Å; L109-K111 PolarHBondContact O-N 2.55Å
112V85.9Confident81.2Confident3 Ų358 Ų582%0.01829%0.286CS..Hα-helixtrans-70.4-42.6178.7172.10000110.6T108 L109 Y110 P198 I200 T237 C238T108-V112 VanDerWaalsContact O-CG2 3.3Å; T108-V112 WeakPolarHBondContact O-CG2 3.46Å; T108-V112 PolarHBondContact O-N 3.03Å; L109-V112 PolarHBondContact O-N 2.87Å; Y110-V112 VanDerWaalsContact C-N 3.33Å; Y110-V112 PolarHBondContact O-N 3.49Å; V112-P198 HydrophobicContact CG1-CB 4.23Å; V112-P198 HydrophobicContact CG1-CG 3.35Å; V112-I200 HydrophobicContact CG2-CD1 4.07Å; V112-I200 HydrophobicContact CG2-CG1 4.32Å; V112-T237 VanDerWaalsContact O-CG2 3.22Å; V112-T237 WeakPolarHBondContact O-CG2 3.38Å; V112-C238 HydrophobicContact CG2-CB 4.15Å
113F82Confident80.7Confident14 Ų1459.7 Ų59.76%0.06130%0.297CS..Hα-helixtrans-89.7-14.4-175.7-71.7-77.9000115F81 L109 Y110 N115 S118 L119 I156 L160 V197F81-F113 AromaticContact CE1-CD2 3.79Å; F81-F113 HydrophobicContact CE1-CD2 3.79Å; F81-F113 AromaticContact CE1-CE2 3.89Å; F81-F113 HydrophobicContact CE1-CE2 3.89Å; F81-F113 HydrophobicContact CE1-CG 4.45Å; F81-F113 HydrophobicContact CE2-CB 3.9Å; F81-F113 AromaticContact CE2-CD2 3.77Å; F81-F113 HydrophobicContact CE2-CD2 3.77Å; F81-F113 HydrophobicContact CE2-CG 4.06Å; F81-F113 HydrophobicContact CZ-CB 3.85Å; F81-F113 HydrophobicContact CZ-CD1 4.31Å; F81-F113 AromaticContact CZ-CD2 3.19Å; F81-F113 HydrophobicContact CZ-CD2 3.19Å; F81-F113 AromaticContact CZ-CE2 3.77Å; F81-F113 HydrophobicContact CZ-CE2 3.77Å; F81-F113 AromaticContact CZ-CG 3.53Å; F81-F113 HydrophobicContact CZ-CG 3.53Å; L109-F113 HydrophobicContact CB-CD2 4.48Å; L109-F113 HydrophobicContact CD2-CE2 4.24Å; L109-F113 VanDerWaalsContact O-CD2 3.26Å; L109-F113 WeakPolarHBondContact O-CD2 3.36Å; L109-F113 PolarHBondContact O-N 2.77Å; Y110-F113 PolarHBondContact O-N 2.87Å; F113-N115 PolarHBondContact O-N 2.82Å; F113-S118 PolarHBondContact O-OG 2.84Å; F113-L119 HydrophobicContact CD1-CD1 4.01Å; F113-L119 HydrophobicContact CE1-CD1 4.41Å; F113-I156 HydrophobicContact CE1-CG2 4.45Å; F113-I156 HydrophobicContact CE2-CD1 4.38Å; F113-I156 HydrophobicContact CE2-CG2 4.12Å; F113-I156 HydrophobicContact CZ-CG2 3.64Å; F113-L160 HydrophobicContact CE1-CD1 4.28Å; F113-V197 HydrophobicContact CE1-CG1 3.96Å; F113-V197 HydrophobicContact CZ-CG1 4.28Å
114N77.9Confident80.2Confident135 Ų13556.4 Ų56.472%0.72228%0.277SS*.  trans-70.719.9176.6-166.858.9000114.1Y110Y110-N114 WeakPolarHBondContact O-CB 3.09Å; Y110-N114 PolarHBondContact O-N 3.36Å
115N72.8Confident79.8Confident71 Ų7155.4 Ų55.438%0.3828%0.275SS..SBendtrans-105.2124.7175.4-79-72.3000110.1F113 H117 S118 T237F113-N115 PolarHBondContact O-N 2.82Å; N115-H117 PolarHBondContact O-N 3.4Å; N115-S118 PolarHBondContact O-N 3.49Å; N115-S118 PolarHBondContact O-OG 2.85Å; N115-T237 HydrophobicContact CB-CG2 3.85Å; N115-T237 WeakPolarHBondContact ND2-CG2 3.09Å
116Q61.7Low79.3Confident172 Ų17256.6 Ų56.680%0.80428%0.281SS*.THydrogen-bonded Turntrans-57.4-19.2-176.3-69.8179.7-24.300114.6
117H62.8Low78.8Confident106 Ų10656.2 Ų56.249%0.49128%0.279SS..THydrogen-bonded Turntrans-89.3-9.1-179.4-164.5-70000112.9N115 N196N115-H117 PolarHBondContact O-N 3.4Å; H117-N196 PolarHBondContact CE1-OD1 3.31Å; H117-N196 WeakPolarHBondContact O-CB 3.24Å
118S67.9Low78.2Confident6 Ų656.8 Ų56.84%0.04229%0.287CS..THydrogen-bonded Turntrans-82.3-38.1-173.964.10000113.6F113 N115F113-S118 PolarHBondContact O-OG 2.84Å; N115-S118 PolarHBondContact O-N 3.49Å; N115-S118 PolarHBondContact O-OG 2.85Å
119L73.5Confident77.5Confident10 Ų1059 Ų595%0.05231%0.31CS..SBendtrans-141.9140.6-178.7-71170.3000109.8L79 F113 L121 L160 V197L79-L119 HydrophobicContact CD1-CD1 3.72Å; L79-L119 HydrophobicContact CD2-CD1 3.62Å; L79-L119 HydrophobicContact CG-CD1 4.36Å; F113-L119 HydrophobicContact CD1-CD1 4.01Å; F113-L119 HydrophobicContact CE1-CD1 4.41Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 HydrophobicContact CB-CD2 4.11Å; L119-L121 PolarHBondContact O-N 2.82Å; L119-L160 HydrophobicContact CD1-CD1 4.4Å; L119-L160 HydrophobicContact CD2-CD1 4.41Å; L119-V197 HydrophobicContact CD2-CG2 3.7Å; L119-V197 HydrophobicContact CG-CG2 4.4Å
120D74.8Confident77.2Confident91 Ų9162.4 Ų62.449%0.48733%0.326SS..  trans-77.985.4173.1-164.7-63.3000110.1K122 S123D120-K122 PolarHBondContact O-N 2.97Å; D120-K122 WeakPolarHBondContact OD1-CB 3.45Å; D120-K122 PolarHBondContact OD1-N 2.89Å; D120-S123 PolarHBondContact O-N 2.92Å; D120-S123 PolarHBondContact O-OG 3.2Å; D120-S123 WeakPolarHBondContact OD1-CB 3.41Å; D120-S123 PolarHBondContact OD1-N 3.41Å
121L76.8Confident76.9Confident28 Ų2860.6 Ų60.615%0.14732%0.32CS..  trans-72.7-12.1179.3-56.8176000113.2E76 G77 L79 L119 L124E76-L121 WeakPolarHBondContact CA-O 3.34Å; E76-L121 HydrophobicContact CB-CB 3.79Å; G77-L121 PolarHBondContact N-O 2.9Å; L79-L121 HydrophobicContact CD1-CD2 3.46Å; L79-L121 VanDerWaalsContact CD1-CD2 3.46Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 HydrophobicContact CB-CD2 4.11Å; L119-L121 PolarHBondContact O-N 2.82Å; L121-L124 HydrophobicContact CD2-CD1 4.06Å; L121-L124 PolarHBondContact O-N 2.69Å
122K78.8Confident76.9Confident156 Ų15655.1 Ų55.168%0.67830%0.296SS*.SBendtrans-74-36.9177.3-63.7179.3-178.7176.80110.7D120 L124 C125D120-K122 PolarHBondContact O-N 2.97Å; D120-K122 WeakPolarHBondContact OD1-CB 3.45Å; D120-K122 PolarHBondContact OD1-N 2.89Å; K122-L124 PolarHBondContact O-N 3.15Å; K122-C125 WeakPolarHBondContact O-CB 3.45Å; K122-C125 PolarHBondContact O-N 3.06Å
123S77.6Confident77Confident42 Ų4255.9 Ų55.929%0.29430%0.299SS..THydrogen-bonded Turntrans-61.2-22.9174.674.60000113.8D120 C125D120-S123 PolarHBondContact O-N 2.92Å; D120-S123 PolarHBondContact O-OG 3.2Å; D120-S123 WeakPolarHBondContact OD1-CB 3.41Å; D120-S123 PolarHBondContact OD1-N 3.41Å; S123-C125 VanDerWaalsContact C-N 3.34Å
124L79.1Confident77.3Confident4 Ų455.2 Ų55.22%0.02130%0.296CS..THydrogen-bonded Turntrans-84.3-5.9176.8-68174.6000113.3L121 K122 W133 L135 I165 L192L121-L124 HydrophobicContact CD2-CD1 4.06Å; L121-L124 PolarHBondContact O-N 2.69Å; K122-L124 PolarHBondContact O-N 3.15Å; L124-W133 HydrophobicContact CB-CB 4.02Å; L124-W133 HydrophobicContact CD2-CB 3.81Å; L124-W133 HydrophobicContact CD2-CG 4.31Å; L124-W133 HydrophobicContact CG-CB 4.46Å; L124-W133 WeakPolarHBondContact O-CB 3.03Å; L124-W133 PolarHBondContact O-N 2.99Å; L124-L135 HydrophobicContact CD1-CD1 4Å; L124-L135 HydrophobicContact CD1-CG 4.45Å; L124-L135 HydrophobicContact CD2-CD1 4.48Å; L124-I165 HydrophobicContact CD2-CD1 3.47Å; L124-I165 VanDerWaalsContact CD2-CD1 3.47Å; L124-L192 HydrophobicContact CD1-CD2 4.37Å; L124-L192 HydrophobicContact CD2-CD2 4.09Å; L124-L192 HydrophobicContact CG-CD2 4.24Å
125C80.4Confident77.9Confident31 Ų3148.9 Ų48.921%0.20926%0.262CS..EExtended strand (participates in β ladder)trans-83.8119.3177-170.10000110N75 K122 S123N75-C125 WeakPolarHBondContact O-CB 3.36Å; K122-C125 WeakPolarHBondContact O-CB 3.45Å; K122-C125 PolarHBondContact O-N 3.06Å; S123-C125 VanDerWaalsContact C-N 3.34Å
126I79.9Confident78.9Confident31 Ų3148.6 Ų48.616%0.15926%0.256CS..EExtended strand (participates in β ladder)trans-86.9-55.1178.1-56.4160.8000108.4I66 H131 W133 V168 I170I66-I126 HydrophobicContact CD1-CD1 4.2Å; I66-I126 HydrophobicContact CG1-CD1 4.09Å; I66-I126 HydrophobicContact CG2-CD1 3.91Å; I126-H131 HydrophobicContact CB-CB 4.19Å; I126-H131 WeakPolarHBondContact CB-O 3.1Å; I126-H131 HydrophobicContact CD1-CB 4.29Å; I126-H131 HydrophobicContact CG2-CB 4.49Å; I126-H131 PolarHBondContact N-O 3.44Å; I126-W133 HydrophobicContact CD1-CD2 4.3Å; I126-W133 HydrophobicContact CD1-CG 4.24Å; I126-W133 HydrophobicContact CG1-CG 4.47Å; I126-V168 HydrophobicContact CD1-CG2 3.79Å; I126-V168 HydrophobicContact CG1-CG2 3.74Å; I126-V168 HydrophobicContact CG2-CG2 4.14Å; I126-I170 HydrophobicContact CG2-CD1 3.47Å; I126-I170 VanDerWaalsContact CG2-CD1 3.47Å; I126-I170 HydrophobicContact CG2-CG1 3.68Å; I126-I170 WeakPolarHBondContact O-CD1 3.26Å
127S79.3Confident80.4Confident7 Ų740.4 Ų40.45%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-139.2129.9171.7570000110.9G129 E130 H131S127-G129 PolarHBondContact O-N 2.91Å; S127-E130 PolarHBondContact O-N 3.13Å; S127-H131 PolarHBondContact N-O 3.16Å; S127-H131 PolarHBondContact O-N 3.41Å; S127-H131 PolarHBondContact OG-N 3.45Å
128P78.8Confident81.8Confident92 Ų9238.8 Ų38.860%0.59721%0.213SC*.THydrogen-bonded Turntrans-63.2124.3-174.825.8-34000110.7A74 N75 E130A74-P128 WeakPolarHBondContact O-CA 3.2Å; N75-P128 VanDerWaalsContact OD1-CB 3.23Å; N75-P128 WeakPolarHBondContact OD1-CB 3.34Å; P128-E130 VanDerWaalsContact C-N 3.34Å; P128-E130 PolarHBondContact O-N 3.11Å
129G75.3Confident83Confident48 Ų4838.6 Ų38.650%0.49521%0.211SC..THydrogen-bonded Turntrans83.5-6.3176.900000116.5A74 S127A74-G129 PolarHBondContact O-N 3.2Å; S127-G129 PolarHBondContact O-N 2.91Å
130E80.6Confident83.9Confident76 Ų7640.6 Ų40.636%0.35522%0.222SC..THydrogen-bonded Turntrans-124.1-52.4-175.9-158.1171.9160.100112.6S127 P128 K178S127-E130 PolarHBondContact O-N 3.13Å; P128-E130 VanDerWaalsContact C-N 3.34Å; P128-E130 PolarHBondContact O-N 3.11Å; E130-K178 WeakPolarHBondContact OE2-CE 3.31Å; E130-K178 IonicContact OE2-NZ 2.96Å; E130-K178 PolarHBondContact OE2-NZ 3.03Å
131H83Confident84.7Confident35 Ų3536.4 Ų36.416%0.16220%0.2CC..EExtended strand (participates in β ladder)trans-132.9125-179.5-57.8-66.4000111.7I66 G67 I126 S127 I180I66-H131 HydrophobicContact CG2-CB 4.1Å; G67-H131 WeakPolarHBondContact O-CA 3.47Å; I126-H131 HydrophobicContact CB-CB 4.19Å; I126-H131 WeakPolarHBondContact CB-O 3.1Å; I126-H131 HydrophobicContact CD1-CB 4.29Å; I126-H131 HydrophobicContact CG2-CB 4.49Å; I126-H131 PolarHBondContact N-O 3.44Å; S127-H131 PolarHBondContact N-O 3.16Å; S127-H131 PolarHBondContact O-N 3.41Å; S127-H131 PolarHBondContact OG-N 3.45Å; H131-I180 HydrophobicContact CB-CD1 4.37Å
132C86.4Confident85.2Confident0 Ų036.8 Ų36.80%020%0.201CC..EExtended strand (participates in β ladder)trans-133.1154.6170.369.10000110.4G67 P69G67-C132 PolarHBondContact N-O 3.42Å; G67-C132 PolarHBondContact O-N 3.16Å; G67-C132 VanDerWaalsContact O-O 3.11Å; P69-C132 WeakPolarHBondContact CA-SG 2.99Å; P69-C132 HydrophobicContact CB-CB 4Å; P69-C132 HydrophobicContact CG-CB 4.4Å
133W87.5Confident85.7Confident18 Ų1834 Ų347%0.06819%0.191CC..EExtended strand (participates in β ladder)trans-72.7131166.5-71.6105.8000110.5A64 I66 G77 L124 I126 I165 P166 V168A64-W133 HydrophobicContact CB-CE3 3.85Å; A64-W133 HydrophobicContact CB-CZ3 3.87Å; I66-W133 HydrophobicContact CD1-CH2 3.95Å; I66-W133 HydrophobicContact CD1-CZ2 4.16Å; I66-W133 HydrophobicContact CD1-CZ3 4.33Å; I66-W133 HydrophobicContact CG1-CD2 4.24Å; I66-W133 HydrophobicContact CG1-CE3 3.86Å; I66-W133 HydrophobicContact CG1-CH2 3.72Å; I66-W133 HydrophobicContact CG1-CZ2 4.09Å; I66-W133 HydrophobicContact CG1-CZ3 3.6Å; G77-W133 WeakPolarHBondContact CA-O 3.37Å; L124-W133 HydrophobicContact CB-CB 4.02Å; L124-W133 HydrophobicContact CD2-CB 3.81Å; L124-W133 HydrophobicContact CD2-CG 4.31Å; L124-W133 HydrophobicContact CG-CB 4.46Å; L124-W133 WeakPolarHBondContact O-CB 3.03Å; L124-W133 PolarHBondContact O-N 2.99Å; I126-W133 HydrophobicContact CD1-CD2 4.3Å; I126-W133 HydrophobicContact CD1-CG 4.24Å; I126-W133 HydrophobicContact CG1-CG 4.47Å; W133-I165 HydrophobicContact CD2-CG2 3.79Å; W133-I165 HydrophobicContact CE3-CG2 4.1Å; W133-I165 HydrophobicContact CG-CG2 4.35Å; W133-I165 HydrophobicContact CH2-CG2 4Å; W133-I165 HydrophobicContact CZ2-CG2 3.68Å; W133-I165 HydrophobicContact CZ3-CG2 4.19Å; W133-P166 HydrophobicContact CH2-CG 4.02Å; W133-P166 WeakPolarHBondContact CZ2-O 3.21Å; W133-V168 HydrophobicContact CZ2-CG1 4.03Å; W133-V168 HydrophobicContact CZ2-CG2 3.67Å
134V89.3Confident85.9Confident1 Ų133.2 Ų33.21%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-111.8122.3170.4-174.60000107E65 Y78 E80 Y136E65-V134 PolarHBondContact N-O 3.3Å; E65-V134 PolarHBondContact O-N 2.97Å; Y78-V134 HydrophobicContact CD1-CG2 4.28Å; Y78-V134 HydrophobicContact CD2-CG1 4Å; Y78-V134 HydrophobicContact CE1-CG1 4.39Å; Y78-V134 HydrophobicContact CE1-CG2 3.61Å; Y78-V134 HydrophobicContact CE2-CB 4.5Å; Y78-V134 HydrophobicContact CE2-CG1 3.49Å; Y78-V134 VanDerWaalsContact CE2-CG1 3.49Å; Y78-V134 HydrophobicContact CE2-CG2 4.22Å; Y78-V134 WeakPolarHBondContact O-CA 3.43Å; E80-V134 HydrophobicContact CG-CG1 4.37Å; V134-Y136 HydrophobicContact CB-CE2 4.11Å; V134-Y136 HydrophobicContact CG1-CD2 4.26Å; V134-Y136 HydrophobicContact CG1-CE1 4.26Å; V134-Y136 HydrophobicContact CG1-CE2 3.67Å
135L90.3Very high86.1Confident1 Ų135 Ų351%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-99.6111.6177.1-57.8177.2000108.8I62 A64 Y78 L79 E80 L124 I165 L192I62-L135 HydrophobicContact CG2-CB 4.45Å; A64-L135 HydrophobicContact CB-CD2 3.66Å; Y78-L135 PolarHBondContact O-N 3.26Å; Y78-L135 VanDerWaalsContact O-N 3.14Å; L79-L135 WeakPolarHBondContact CA-O 3.46Å; L79-L135 HydrophobicContact CG-CB 4.16Å; L79-L135 HydrophobicContact CG-CD1 4.38Å; E80-L135 PolarHBondContact N-O 3.33Å; L124-L135 HydrophobicContact CD1-CD1 4Å; L124-L135 HydrophobicContact CD1-CG 4.45Å; L124-L135 HydrophobicContact CD2-CD1 4.48Å; L135-I165 HydrophobicContact CD2-CD1 3.94Å; L135-L192 HydrophobicContact CD1-CD1 3.69Å
136Y92.6Very high86.1Confident66 Ų6633.6 Ų33.626%0.25919%0.185SC..EExtended strand (participates in β ladder)trans-85116170.9-68.4-77.5000108.5I62 K63 E65 E80 V134I62-Y136 CarbonylContact C-O 3.59Å; I62-Y136 VanDerWaalsContact CA-O 3.29Å; I62-Y136 WeakPolarHBondContact CA-O 3.36Å; K63-Y136 PolarHBondContact N-O 3.05Å; K63-Y136 PolarHBondContact O-N 3.35Å; E65-Y136 HydrophobicContact CB-CD2 4.25Å; E65-Y136 HydrophobicContact CB-CE2 4.01Å; E65-Y136 HydrophobicContact CG-CD2 4.06Å; E65-Y136 HydrophobicContact CG-CE2 4.16Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.02Å; E80-Y136 HydrophobicContact CB-CD1 3.81Å; E80-Y136 HydrophobicContact CB-CE1 3.88Å; E80-Y136 HydrophobicContact CG-CD1 4.44Å; E80-Y136 HydrophobicContact CG-CE1 4.03Å; E80-Y136 WeakPolarHBondContact OE2-CE1 3.35Å; E80-Y136 PolarHBondContact OE2-OH 2.87Å; E80-Y136 VanDerWaalsContact OE2-OH 3.08Å; V134-Y136 HydrophobicContact CB-CE2 4.11Å; V134-Y136 HydrophobicContact CG1-CD2 4.26Å; V134-Y136 HydrophobicContact CG1-CE1 4.26Å; V134-Y136 HydrophobicContact CG1-CE2 3.67Å
137V93.3Very high86.3Confident0 Ų032.6 Ų32.60%018%0.18CC..EExtended strand (participates in β ladder)trans-106.9105.3177.4-176.40000107.7V60 I62 L79 E80 F81 F82 V139 I156V60-V137 HydrophobicContact CG1-CG1 3.82Å; I62-V137 HydrophobicContact CD1-CG2 4.38Å; I62-V137 HydrophobicContact CG1-CG1 4.3Å; I62-V137 HydrophobicContact CG1-CG2 4.17Å; L79-V137 HydrophobicContact CD2-CG2 4.29Å; E80-V137 PolarHBondContact O-N 2.67Å; F81-V137 WeakPolarHBondContact CA-O 3.38Å; F81-V137 HydrophobicContact CD1-CB 3.68Å; F81-V137 HydrophobicContact CD1-CG1 3.9Å; F81-V137 HydrophobicContact CD1-CG2 4.15Å; F81-V137 HydrophobicContact CE1-CB 3.93Å; F81-V137 HydrophobicContact CE1-CG1 4.09Å; F81-V137 HydrophobicContact CE1-CG2 3.9Å; F82-V137 PolarHBondContact N-O 2.96Å; V137-V139 HydrophobicContact CG1-CG2 4.37Å; V137-I156 HydrophobicContact CG1-CD1 4.39Å; V137-I156 HydrophobicContact CG1-CG1 4Å; V137-I156 HydrophobicContact CG1-CG2 4.43Å
138D93.7Very high86.7Confident72 Ų7233.4 Ų33.439%0.38518%0.184SC..EExtended strand (participates in β ladder)trans-97.3116.3177.7-65.3-57.2000109.3V60 G61 F82V60-D138 CarbonylContact C-O 3.55Å; V60-D138 VanDerWaalsContact CA-O 3.31Å; V60-D138 WeakPolarHBondContact CA-O 3.48Å; G61-D138 PolarHBondContact N-O 2.84Å; G61-D138 PolarHBondContact O-N 3.44Å; F82-D138 WeakPolarHBondContact CB-OD1 3.29Å
139V93.3Very high87.3Confident2 Ų229.8 Ų29.81%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-103.9118.7176.4-177.10000108.3V58 V60 F82 V83 D84 V137 L141 I152 I156V58-V139 HydrophobicContact CG1-CG1 3.68Å; V60-V139 HydrophobicContact CG2-CB 4.39Å; V60-V139 HydrophobicContact CG2-CG1 4.16Å; V60-V139 HydrophobicContact CG2-CG2 4.07Å; F82-V139 PolarHBondContact O-N 2.98Å; V83-V139 CarbonylContact C-O 3.59Å; V83-V139 WeakPolarHBondContact CA-O 3.44Å; V83-V139 HydrophobicContact CB-CB 4.47Å; V83-V139 HydrophobicContact CG1-CB 4.36Å; V83-V139 HydrophobicContact CG1-CG1 4.41Å; V83-V139 HydrophobicContact CG2-CB 4.1Å; V83-V139 HydrophobicContact CG2-CG2 4.31Å; D84-V139 PolarHBondContact N-O 3.34Å; V137-V139 HydrophobicContact CG1-CG2 4.37Å; V139-L141 HydrophobicContact CG1-CD2 4.38Å; V139-I152 HydrophobicContact CG1-CD1 4.4Å; V139-I152 HydrophobicContact CG1-CG1 3.93Å; V139-I152 HydrophobicContact CG1-CG2 3.93Å; V139-I152 HydrophobicContact CG2-CG2 4.09Å; V139-I156 HydrophobicContact CG2-CD1 4.14Å; V139-I156 HydrophobicContact CG2-CG1 4.26Å
140L92.1Very high88Confident52 Ų5227.5 Ų27.527%0.27214%0.135SC..EExtended strand (participates in β ladder)trans-108.7117.9175.1-179.766.5000109.9L59 D84 L142L59-L140 HydrophobicContact CB-CB 4.35Å; L59-L140 HydrophobicContact CD2-CD2 4.31Å; L59-L140 PolarHBondContact N-O 2.93Å; L59-L140 PolarHBondContact O-N 3.06Å; D84-L140 HydrophobicContact CB-CD1 3.98Å; L140-L142 HydrophobicContact CD2-CD2 3.91Å; L140-L142 HydrophobicContact CG-CD2 4.15Å
141L90.6Very high88.5Confident3 Ų323.9 Ų23.92%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-83119.1173.4-58.8-177000110V58 D84 S86 L105 V139 L148 I152V58-L141 HydrophobicContact CB-CD2 4.5Å; V58-L141 HydrophobicContact CG1-CD2 4.13Å; V58-L141 HydrophobicContact CG2-CD2 3.76Å; D84-L141 PolarHBondContact O-N 3.49Å; S86-L141 WeakPolarHBondContact CB-O 3.35Å; S86-L141 PolarHBondContact N-O 2.96Å; L105-L141 HydrophobicContact CD1-CD1 4.24Å; V139-L141 HydrophobicContact CG1-CD2 4.38Å; L141-L148 HydrophobicContact CD1-CD1 4.36Å; L141-L148 HydrophobicContact CD1-CD2 4.42Å; L141-L148 HydrophobicContact CD2-CD2 4.28Å; L141-I152 HydrophobicContact CD2-CD1 4.04Å; L141-I152 HydrophobicContact CD2-CG1 4.11Å
142L88.6Confident89Confident35 Ų3522.3 Ų22.318%0.18311%0.111CC..EExtended strand (participates in β ladder)trans-94.7-43.5178.1-61.2175.1000111.5A57 L59 N88 A89 L140 F289A57-L142 HydrophobicContact CB-CB 4.03Å; A57-L142 HydrophobicContact CB-CD1 4.48Å; A57-L142 WeakPolarHBondContact O-CB 2.94Å; A57-L142 PolarHBondContact O-N 3.03Å; L59-L142 HydrophobicContact CB-CD1 4.27Å; N88-L142 CarbonylContact C-O 3.57Å; A89-L142 WeakPolarHBondContact CA-O 3.48Å; A89-L142 PolarHBondContact N-O 3.3Å; L140-L142 HydrophobicContact CD2-CD2 3.91Å; L140-L142 HydrophobicContact CG-CD2 4.15Å; L142-F289 HydrophobicContact CD1-CE1 4.27Å
143Q87.7Confident89.2Confident99 Ų9922.4 Ų22.446%0.46311%0.111SC..EExtended strand (participates in β ladder)trans-139.8146.2178.8-64.2-178.9-37.900110.4H55 A57H55-Q143 WeakPolarHBondContact O-CB 3.43Å; A57-Q143 HydrophobicContact CB-CB 4.15Å; A57-Q143 HydrophobicContact CB-CG 4.36Å; A57-Q143 PolarHBondContact N-O 2.86Å; A57-Q143 PolarHBondContact O-N 3.37Å; A57-Q143 VanDerWaalsContact O-N 3.16Å
144C82.9Confident89.4Confident25 Ų2521.5 Ų21.517%0.16911%0.108CC..  trans-127.2105.2-177.5179.70000110.1A89 L148A89-C144 HydrophobicContact CB-CB 4.13Å; C144-L148 HydrophobicContact CB-CD2 4.22Å
145D81.6Confident89.5Confident41 Ų4121.5 Ų21.522%0.21911%0.108CC..SBendtrans-129.140.7174.7-165.3-113.9000112R33 H55 T56R33-D145 IonicContact CZ-OD1 2.67Å; R33-D145 IonicContact NH1-OD1 3.45Å; R33-D145 PolarHBondContact NH1-OD1 2.86Å; R33-D145 PolarHBondContact NH2-O 3.08Å; R33-D145 VanDerWaalsContact NH2-O 3.16Å; R33-D145 IonicContact NH2-OD1 2.97Å; H55-D145 HydrophobicContact CB-CB 3.48Å; H55-D145 VanDerWaalsContact CB-CB 3.48Å; T56-D145 WeakPolarHBondContact OG1-CA 3.45Å; T56-D145 PolarHBondContact OG1-N 2.79Å
146G81.2Confident89.6Confident2 Ų221.4 Ų21.42%0.02111%0.108CC..SBendtrans86.9177.6-177.500000113.2T56 L148T56-G146 PolarHBondContact OG1-O 3.24Å; G146-L148 PolarHBondContact O-N 2.98Å
147N85.3Confident89.5Confident9 Ų918.3 Ų18.35%0.04810%0.095CC..  trans42.740.3-178.7-157.821.4000117.1Y32 L53 Y149 D150 A151 T202 D213Y32-N147 WeakPolarHBondContact CE1-ND2 2.95Å; L53-N147 HydrophobicContact CD2-CB 4.12Å; N147-Y149 PolarHBondContact O-N 2.88Å; N147-D150 PolarHBondContact O-N 3.21Å; N147-D150 VanDerWaalsContact OD1-CB 3.27Å; N147-D150 WeakPolarHBondContact OD1-CB 3.45Å; N147-A151 PolarHBondContact O-N 3.21Å; N147-T202 PolarHBondContact OD1-OG1 3.1Å; N147-D213 WeakPolarHBondContact CB-OD2 3.44Å; N147-D213 PolarHBondContact ND2-OD2 3.11Å
148L87.8Confident89.3Confident25 Ų2518.3 Ų18.313%0.13110%0.095CC..Hα-helixtrans-58.2-45.1-178.4-67.7174.7000113.4T56 L141 C144 G146 D150 A151 I152T56-L148 HydrophobicContact CG2-CD2 3.79Å; L141-L148 HydrophobicContact CD1-CD1 4.36Å; L141-L148 HydrophobicContact CD1-CD2 4.42Å; L141-L148 HydrophobicContact CD2-CD2 4.28Å; C144-L148 HydrophobicContact CB-CD2 4.22Å; G146-L148 PolarHBondContact O-N 2.98Å; L148-D150 PolarHBondContact O-N 2.93Å; L148-A151 PolarHBondContact O-N 2.9Å; L148-I152 HydrophobicContact CB-CD1 4.35Å; L148-I152 WeakPolarHBondContact O-CB 3.48Å; L148-I152 WeakPolarHBondContact O-CD1 3.43Å; L148-I152 WeakPolarHBondContact O-CG1 3.49Å; L148-I152 PolarHBondContact O-N 2.94Å
149Y90.3Very high89.2Confident16 Ų1614.9 Ų14.96%0.0638%0.077CC..Hα-helixtrans-60.6-36.8-173.8-61.3-86.7000112.4E104 L105 T108 N147 S153 I227E104-Y149 PolarHBondContact OE1-OH 3.3Å; L105-Y149 HydrophobicContact CD2-CD1 3.42Å; L105-Y149 VanDerWaalsContact CD2-CD1 3.42Å; L105-Y149 HydrophobicContact CD2-CE1 3.21Å; L105-Y149 HydrophobicContact CD2-CG 4.19Å; L105-Y149 HydrophobicContact CG-CE1 4.31Å; T108-Y149 HydrophobicContact CG2-CD1 4.44Å; T108-Y149 HydrophobicContact CG2-CE1 4.48Å; N147-Y149 PolarHBondContact O-N 2.88Å; Y149-S153 WeakPolarHBondContact O-CB 3.34Å; Y149-S153 PolarHBondContact O-N 3.16Å; Y149-I227 HydrophobicContact CD1-CD1 3.97Å; Y149-I227 HydrophobicContact CD2-CD1 3.81Å; Y149-I227 HydrophobicContact CD2-CG1 4.46Å; Y149-I227 HydrophobicContact CE1-CD1 3.75Å; Y149-I227 HydrophobicContact CE2-CD1 3.61Å; Y149-I227 HydrophobicContact CG-CD1 4.01Å
150D90.4Very high89Confident0 Ų014.8 Ų14.80%08%0.077CC..Hα-helixtrans-71.6-51.4-179.4-161.9-18.9000110.9Y32 N147 L148 I152 S153 V154 I200Y32-D150 WeakPolarHBondContact CE1-OD2 3.44Å; Y32-D150 PolarHBondContact OH-OD2 3.38Å; N147-D150 PolarHBondContact O-N 3.21Å; N147-D150 VanDerWaalsContact OD1-CB 3.27Å; N147-D150 WeakPolarHBondContact OD1-CB 3.45Å; L148-D150 PolarHBondContact O-N 2.93Å; D150-I152 VanDerWaalsContact C-N 3.27Å; D150-I152 PolarHBondContact O-N 3.49Å; D150-S153 WeakPolarHBondContact O-CA 3.18Å; D150-S153 PolarHBondContact O-N 3.32Å; D150-S153 PolarHBondContact O-OG 3.38Å; D150-V154 WeakPolarHBondContact O-CG2 3.25Å; D150-V154 PolarHBondContact O-N 2.88Å; D150-I200 WeakPolarHBondContact CA-O 3.36Å; D150-I200 WeakPolarHBondContact CB-O 3.43Å
151A91.4Very high88.8Confident0 Ų014.2 Ų14.20%07%0.072CC..Hα-helixtrans-54.5-43.3176.100000112M35 L53 T56 V58 N147 L148 V154 A155M35-A151 HydrophobicContact CE-CB 4.49Å; L53-A151 HydrophobicContact CB-CB 4.46Å; L53-A151 HydrophobicContact CD2-CB 4.49Å; T56-A151 HydrophobicContact CG2-CB 4.15Å; V58-A151 HydrophobicContact CG2-CB 3.97Å; N147-A151 PolarHBondContact O-N 3.21Å; L148-A151 PolarHBondContact O-N 2.9Å; A151-V154 PolarHBondContact O-N 2.83Å; A151-A155 VanDerWaalsContact O-CB 3.24Å; A151-A155 WeakPolarHBondContact O-CB 3.27Å; A151-A155 PolarHBondContact O-N 2.88Å
152I92.4Very high88.6Confident1 Ų115.2 Ų15.21%0.0058%0.077CC..Hα-helixtrans-63-44.5175.3-64.7163.8000110.9V58 L105 L109 V139 L141 L148 D150 V154 A155 I156V58-I152 HydrophobicContact CG1-CG1 4.07Å; V58-I152 HydrophobicContact CG2-CG1 4.24Å; L105-I152 HydrophobicContact CD1-CD1 4.14Å; L105-I152 HydrophobicContact CD2-CD1 3.87Å; L109-I152 HydrophobicContact CD1-CG2 4.05Å; L109-I152 HydrophobicContact CD2-CG2 4.1Å; V139-I152 HydrophobicContact CG1-CD1 4.4Å; V139-I152 HydrophobicContact CG1-CG1 3.93Å; V139-I152 HydrophobicContact CG1-CG2 3.93Å; V139-I152 HydrophobicContact CG2-CG2 4.09Å; L141-I152 HydrophobicContact CD2-CD1 4.04Å; L141-I152 HydrophobicContact CD2-CG1 4.11Å; L148-I152 HydrophobicContact CB-CD1 4.35Å; L148-I152 WeakPolarHBondContact O-CB 3.48Å; L148-I152 WeakPolarHBondContact O-CD1 3.43Å; L148-I152 WeakPolarHBondContact O-CG1 3.49Å; L148-I152 PolarHBondContact O-N 2.94Å; D150-I152 VanDerWaalsContact C-N 3.27Å; D150-I152 PolarHBondContact O-N 3.49Å; I152-V154 VanDerWaalsContact C-N 3.34Å; I152-V154 PolarHBondContact O-N 3.34Å; I152-A155 PolarHBondContact O-N 3.22Å; I152-I156 HydrophobicContact CG2-CD1 3.61Å; I152-I156 HydrophobicContact CG2-CG1 4.21Å; I152-I156 WeakPolarHBondContact O-CB 3.49Å; I152-I156 VanDerWaalsContact O-CG1 3.26Å; I152-I156 WeakPolarHBondContact O-CG1 3.38Å; I152-I156 PolarHBondContact O-N 2.94Å
153S91.1Very high88.6Confident2 Ų213.5 Ų13.51%0.0147%0.068CC..Hα-helixtrans-64.2-40-179.178.30000112.7Y149 D150 K157 I200Y149-S153 WeakPolarHBondContact O-CB 3.34Å; Y149-S153 PolarHBondContact O-N 3.16Å; D150-S153 WeakPolarHBondContact O-CA 3.18Å; D150-S153 PolarHBondContact O-N 3.32Å; D150-S153 PolarHBondContact O-OG 3.38Å; S153-K157 WeakPolarHBondContact O-CB 3.5Å; S153-K157 PolarHBondContact O-N 3.25Å; S153-I200 PolarHBondContact OG-N 3.36Å
154V91.1Very high88.4Confident0 Ų013 Ų130%06%0.064CC..Hα-helixtrans-68.1-41.8175.7176.50000110.4M35 V37 V51 D150 A151 I152 K157 A158 L266 L270M35-V154 HydrophobicContact CE-CB 4.03Å; M35-V154 HydrophobicContact CE-CG1 4.3Å; M35-V154 HydrophobicContact CE-CG2 3.91Å; M35-V154 HydrophobicContact SD-CB 4.06Å; M35-V154 HydrophobicContact SD-CG1 3.67Å; M35-V154 HydrophobicContact SD-CG2 4.04Å; V37-V154 HydrophobicContact CG2-CG1 4.08Å; V51-V154 HydrophobicContact CG2-CG1 4.23Å; D150-V154 WeakPolarHBondContact O-CG2 3.25Å; D150-V154 PolarHBondContact O-N 2.88Å; A151-V154 PolarHBondContact O-N 2.83Å; I152-V154 VanDerWaalsContact C-N 3.34Å; I152-V154 PolarHBondContact O-N 3.34Å; V154-K157 PolarHBondContact O-N 2.93Å; V154-A158 WeakPolarHBondContact O-CB 3.49Å; V154-A158 PolarHBondContact O-N 2.85Å; V154-L266 HydrophobicContact CG2-CD2 3.71Å; V154-L270 HydrophobicContact CG1-CD1 3.62Å; V154-L270 HydrophobicContact CG1-CD2 3.9Å; V154-L270 HydrophobicContact CG1-CG 4.41Å
155A92.3Very high88.4Confident0 Ų012 Ų120%06%0.057CC..Hα-helixtrans-64.2-43.417800000112.2V51 V58 V60 A151 I152 K157 A158 A159V51-A155 HydrophobicContact CB-CB 4.07Å; V51-A155 HydrophobicContact CG2-CB 3.55Å; V58-A155 HydrophobicContact CG1-CB 4.32Å; V60-A155 HydrophobicContact CB-CB 4.25Å; V60-A155 HydrophobicContact CG2-CB 3.44Å; V60-A155 VanDerWaalsContact CG2-CB 3.44Å; A151-A155 VanDerWaalsContact O-CB 3.24Å; A151-A155 WeakPolarHBondContact O-CB 3.27Å; A151-A155 PolarHBondContact O-N 2.88Å; I152-A155 PolarHBondContact O-N 3.22Å; A155-K157 VanDerWaalsContact C-N 3.35Å; A155-K157 PolarHBondContact O-N 2.92Å; A155-A158 PolarHBondContact O-N 3.28Å; A155-A159 VanDerWaalsContact O-CB 3.27Å; A155-A159 WeakPolarHBondContact O-CB 3.24Å; A155-A159 PolarHBondContact O-N 3.45Å
156I91.7Very high88.3Confident0 Ų011.8 Ų11.80%06%0.059CC..Hα-helixtrans-62.7-43.4175.1-67.6168.6000110.4V60 F81 L109 F113 V137 V139 I152 A159 L160V60-I156 HydrophobicContact CG1-CG1 4.18Å; V60-I156 HydrophobicContact CG2-CG1 4.27Å; F81-I156 HydrophobicContact CD1-CD1 4.3Å; F81-I156 HydrophobicContact CE1-CD1 4.26Å; F81-I156 HydrophobicContact CE1-CG2 4.42Å; L109-I156 HydrophobicContact CD1-CD1 3.82Å; L109-I156 HydrophobicContact CD2-CD1 3.63Å; L109-I156 HydrophobicContact CG-CD1 4.33Å; F113-I156 HydrophobicContact CE1-CG2 4.45Å; F113-I156 HydrophobicContact CE2-CD1 4.38Å; F113-I156 HydrophobicContact CE2-CG2 4.12Å; F113-I156 HydrophobicContact CZ-CG2 3.64Å; V137-I156 HydrophobicContact CG1-CD1 4.39Å; V137-I156 HydrophobicContact CG1-CG1 4Å; V137-I156 HydrophobicContact CG1-CG2 4.43Å; V139-I156 HydrophobicContact CG2-CD1 4.14Å; V139-I156 HydrophobicContact CG2-CG1 4.26Å; I152-I156 HydrophobicContact CG2-CD1 3.61Å; I152-I156 HydrophobicContact CG2-CG1 4.21Å; I152-I156 WeakPolarHBondContact O-CB 3.49Å; I152-I156 VanDerWaalsContact O-CG1 3.26Å; I152-I156 WeakPolarHBondContact O-CG1 3.38Å; I152-I156 PolarHBondContact O-N 2.94Å; I156-A159 PolarHBondContact O-N 3.48Å; I156-L160 HydrophobicContact CG2-CD1 3.75Å; I156-L160 HydrophobicContact CG2-CG 4.24Å; I156-L160 WeakPolarHBondContact O-CB 3.26Å; I156-L160 VanDerWaalsContact O-CG 3.28Å; I156-L160 WeakPolarHBondContact O-CG 3.41Å; I156-L160 PolarHBondContact O-N 2.91Å
157K90.6Very high88.1Confident1 Ų117.4 Ų17.40%0.0048%0.079CC..Hα-helixtrans-62.4-43.9177.4-177.2164-178158.60112.3S153 V154 A155 F161 V194 V197 H267 L270S153-K157 WeakPolarHBondContact O-CB 3.5Å; S153-K157 PolarHBondContact O-N 3.25Å; V154-K157 PolarHBondContact O-N 2.93Å; A155-K157 VanDerWaalsContact C-N 3.35Å; A155-K157 PolarHBondContact O-N 2.92Å; K157-F161 PolarHBondContact O-N 3.03Å; K157-F161 VanDerWaalsContact O-N 3.08Å; K157-V194 WeakPolarHBondContact CE-O 3.24Å; K157-V194 PolarHBondContact NZ-O 3.13Å; K157-V197 HydrophobicContact CB-CG1 3.8Å; K157-V197 HydrophobicContact CD-CB 4.04Å; K157-V197 HydrophobicContact CD-CG1 3.94Å; K157-V197 HydrophobicContact CG-CB 4.11Å; K157-V197 HydrophobicContact CG-CG1 3.83Å; K157-V197 PolarHBondContact NZ-O 2.84Å; K157-H267 PolarHBondContact NZ-CE1 3.49Å; K157-H267 PolarHBondContact NZ-ND1 3.35Å; K157-L270 HydrophobicContact CB-CD2 4.47Å; K157-L270 HydrophobicContact CD-CD2 3.84Å; K157-L270 HydrophobicContact CG-CD2 4.2Å
158A90.2Very high87.6Confident0 Ų018.3 Ų18.30%09%0.085CC..Hα-helixtrans-65.2-40.9176.500000111.9V37 T39 A49 V154 A155 F161 N162 L274V37-A158 HydrophobicContact CG1-CB 3.79Å; T39-A158 HydrophobicContact CG2-CB 4.25Å; A49-A158 HydrophobicContact CB-CB 3.69Å; V154-A158 WeakPolarHBondContact O-CB 3.49Å; V154-A158 PolarHBondContact O-N 2.85Å; A155-A158 PolarHBondContact O-N 3.28Å; A158-F161 PolarHBondContact O-N 2.9Å; A158-N162 PolarHBondContact O-N 3.3Å; A158-L274 HydrophobicContact CB-CD2 3.91Å
159A91.1Very high86.8Confident0 Ų022.1 Ų22.10%010%0.102CC..Hα-helixtrans-65.7-45.1177.500000111.4A49 V60 I62 A155 I156 F161 N162 T163A49-A159 HydrophobicContact CB-CB 3.88Å; V60-A159 HydrophobicContact CB-CB 4.22Å; V60-A159 HydrophobicContact CG1-CB 3.83Å; I62-A159 HydrophobicContact CD1-CB 3.52Å; I62-A159 HydrophobicContact CG1-CB 3.89Å; A155-A159 VanDerWaalsContact O-CB 3.27Å; A155-A159 WeakPolarHBondContact O-CB 3.24Å; A155-A159 PolarHBondContact O-N 3.45Å; I156-A159 PolarHBondContact O-N 3.48Å; A159-F161 VanDerWaalsContact C-N 3.27Å; A159-F161 PolarHBondContact O-N 2.96Å; A159-N162 CarbonylContact O-C 3.52Å; A159-N162 PolarHBondContact O-N 3.03Å; A159-N162 VanDerWaalsContact O-N 3.11Å; A159-T163 PolarHBondContact O-N 3.25Å; A159-T163 PolarHBondContact O-OG1 3.44Å
160L88.9Confident85.7Confident0 Ų024.3 Ų24.30%011%0.114CC..Hα-helixtrans-61.3-35.1176.6-76.4168.9000112.3I62 L79 F113 L119 I156 N162 T163 L192 V194 V197I62-L160 HydrophobicContact CD1-CB 4.32Å; I62-L160 HydrophobicContact CD1-CD2 3.69Å; I62-L160 HydrophobicContact CD1-CG 3.71Å; L79-L160 HydrophobicContact CD2-CD2 4.44Å; F113-L160 HydrophobicContact CE1-CD1 4.28Å; L119-L160 HydrophobicContact CD1-CD1 4.4Å; L119-L160 HydrophobicContact CD2-CD1 4.41Å; I156-L160 HydrophobicContact CG2-CD1 3.75Å; I156-L160 HydrophobicContact CG2-CG 4.24Å; I156-L160 WeakPolarHBondContact O-CB 3.26Å; I156-L160 VanDerWaalsContact O-CG 3.28Å; I156-L160 WeakPolarHBondContact O-CG 3.41Å; I156-L160 PolarHBondContact O-N 2.91Å; L160-N162 VanDerWaalsContact C-N 3.3Å; L160-T163 WeakPolarHBondContact CA-OG1 3.19Å; L160-T163 PolarHBondContact O-N 3.25Å; L160-L192 HydrophobicContact CD2-CD1 4.23Å; L160-V194 HydrophobicContact CB-CG1 3.91Å; L160-V197 HydrophobicContact CD1-CG1 4.47Å; L160-V197 HydrophobicContact CD1-CG2 4.2Å
161F88.2Confident84.6Confident39 Ų3926.7 Ų26.717%0.17113%0.13CC..Hα-helixtrans-65.7-35.9176.1-178.9-101.2000112K157 A158 A159 V194 L274 E278K157-F161 PolarHBondContact O-N 3.03Å; K157-F161 VanDerWaalsContact O-N 3.08Å; A158-F161 PolarHBondContact O-N 2.9Å; A159-F161 VanDerWaalsContact C-N 3.27Å; A159-F161 PolarHBondContact O-N 2.96Å; F161-V194 HydrophobicContact CB-CG1 4.26Å; F161-V194 HydrophobicContact CB-CG2 4.07Å; F161-V194 HydrophobicContact CD2-CG2 3.51Å; F161-V194 HydrophobicContact CE2-CG2 4.44Å; F161-V194 HydrophobicContact CG-CG2 4.26Å; F161-L274 HydrophobicContact CB-CD1 4.06Å; F161-L274 HydrophobicContact CD1-CB 3.73Å; F161-L274 HydrophobicContact CD1-CD1 4.22Å; F161-L274 HydrophobicContact CD1-CD2 4.12Å; F161-L274 HydrophobicContact CD1-CG 4.24Å; F161-L274 HydrophobicContact CE1-CB 3.72Å; F161-L274 HydrophobicContact CG-CB 4.29Å; F161-L274 HydrophobicContact CG-CD1 4.05Å; F161-L274 HydrophobicContact CZ-CB 4.26Å; F161-E278 WeakPolarHBondContact CZ-OE2 3.35Å
162N86.7Confident83.2Confident24 Ų2431.2 Ų31.213%0.12816%0.162CC..Hα-helixtrans-85.3-12.5178.1-168.639.5000113.2D40 A158 A159 L160 K164D40-N162 WeakPolarHBondContact CB-ND2 3.41Å; D40-N162 PolarHBondContact N-ND2 3.11Å; D40-N162 PolarHBondContact OD2-ND2 2.9Å; A158-N162 PolarHBondContact O-N 3.3Å; A159-N162 CarbonylContact O-C 3.52Å; A159-N162 PolarHBondContact O-N 3.03Å; A159-N162 VanDerWaalsContact O-N 3.11Å; L160-N162 VanDerWaalsContact C-N 3.3Å; N162-K164 PolarHBondContact O-N 2.76Å
163T87Confident81.5Confident0 Ų035.7 Ų35.70%019%0.186CC..  trans-60.5123.1-179.7-57.70000111.2D46 I62 A159 L160 I165D46-T163 HydrophobicContact CB-CG2 4.34Å; D46-T163 WeakPolarHBondContact O-CA 3.31Å; I62-T163 HydrophobicContact CG2-CG2 4.16Å; A159-T163 PolarHBondContact O-N 3.25Å; A159-T163 PolarHBondContact O-OG1 3.44Å; L160-T163 WeakPolarHBondContact CA-OG1 3.19Å; L160-T163 PolarHBondContact O-N 3.25Å; T163-I165 HydrophobicContact CG2-CD1 4.48Å; T163-I165 HydrophobicContact CG2-CG1 3.9Å
164K84.3Confident79.9Confident87 Ų8745.2 Ų45.238%0.37823%0.231SC..EExtended strand (participates in β ladder)trans-114.8108.5175-72.4169.9-164.7158.20108.6D46 N162 C189D46-K164 PolarHBondContact O-N 2.89Å; D46-K164 VanDerWaalsContact O-N 3.13Å; N162-K164 PolarHBondContact O-N 2.76Å; K164-C189 HydrophobicContact CB-CB 3.69Å; K164-C189 HydrophobicContact CG-CB 4.19Å
165I83.8Confident78.3Confident4 Ų454.3 Ų54.32%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-93.3123.5179.6-55.4176.3000107.7A64 L124 W133 L135 T163 C189 M190 L192A64-I165 HydrophobicContact CB-CG1 4.38Å; L124-I165 HydrophobicContact CD2-CD1 3.47Å; L124-I165 VanDerWaalsContact CD2-CD1 3.47Å; W133-I165 HydrophobicContact CD2-CG2 3.79Å; W133-I165 HydrophobicContact CE3-CG2 4.1Å; W133-I165 HydrophobicContact CG-CG2 4.35Å; W133-I165 HydrophobicContact CH2-CG2 4Å; W133-I165 HydrophobicContact CZ2-CG2 3.68Å; W133-I165 HydrophobicContact CZ3-CG2 4.19Å; L135-I165 HydrophobicContact CD2-CD1 3.94Å; T163-I165 HydrophobicContact CG2-CD1 4.48Å; T163-I165 HydrophobicContact CG2-CG1 3.9Å; I165-C189 CarbonylContact O-C 3.45Å; I165-C189 VanDerWaalsContact O-CA 3.26Å; I165-C189 WeakPolarHBondContact O-CA 3.47Å; I165-M190 PolarHBondContact N-O 3.29Å; I165-M190 PolarHBondContact O-N 3.27Å; I165-L192 HydrophobicContact CD1-CD1 4.02Å; I165-L192 HydrophobicContact CD1-CG 4.25Å
166P78.7Confident76.6Confident38 Ų3857.5 Ų57.525%0.24731%0.306CS..EExtended strand (participates in β ladder)trans-63.6141176.227.2-33.5000110.2W133 L182W133-P166 HydrophobicContact CH2-CG 4.02Å; W133-P166 WeakPolarHBondContact CZ2-O 3.21Å; P166-L182 HydrophobicContact CG-CD2 4.26Å
167R76.8Confident74.8Confident120 Ų12059.4 Ų59.445%0.45333%0.325SS..PPolyproline II helixtrans-70.6141.8173.6-69.5-149.8-173124.5-4.6110.9S183 D188R167-S183 PolarHBondContact O-N 2.78Å; R167-D188 WeakPolarHBondContact CD-OD1 3.38Å; R167-D188 WeakPolarHBondContact CG-OD1 3.45Å; R167-D188 IonicContact CZ-OD1 3.78Å; R167-D188 IonicContact CZ-OD2 3.66Å; R167-D188 PolarHBondContact N-O 2.92Å; R167-D188 IonicContact NE-OD1 2.82Å; R167-D188 IonicContact NH1-OD1 2.69Å; R167-D188 PolarHBondContact NH1-OD1 2.84Å; R167-D188 IonicContact NH1-OD2 2.66Å; R167-D188 PolarHBondContact NH1-OD2 3.38Å
168V75.1Confident73.4Confident28 Ų2863.2 Ų63.217%0.1734%0.342CS..EExtended strand (participates in β ladder)trans-113.9128177.4-96.90000109.1I66 I126 W133 I180 L182I66-V168 HydrophobicContact CD1-CG1 3.81Å; I126-V168 HydrophobicContact CD1-CG2 3.79Å; I126-V168 HydrophobicContact CG1-CG2 3.74Å; I126-V168 HydrophobicContact CG2-CG2 4.14Å; W133-V168 HydrophobicContact CZ2-CG1 4.03Å; W133-V168 HydrophobicContact CZ2-CG2 3.67Å; V168-I180 HydrophobicContact CB-CG2 3.97Å; V168-I180 HydrophobicContact CG1-CG2 3.28Å; V168-L182 HydrophobicContact CG1-CD2 3.43Å; V168-L182 VanDerWaalsContact CG1-CD2 3.43Å; V168-L182 HydrophobicContact CG1-CG 4.28Å
169H70.6Confident72.2Confident104 Ų10469 Ų6948%0.48137%0.369SS..EExtended strand (participates in β ladder)trans-100.2132.6169.9-68.6-77.9000108.5E181H169-E181 HydrophobicContact CB-CB 4.47Å; H169-E181 PolarHBondContact N-O 2.94Å; H169-E181 PolarHBondContact O-N 2.79Å
170I67.6Low71.1Confident62 Ų6271.6 Ų71.632%0.31838%0.382SS..EExtended strand (participates in β ladder)trans-99.5112.4175.5-49.2171.7000106.8I126 K178I126-I170 HydrophobicContact CG2-CD1 3.47Å; I126-I170 VanDerWaalsContact CG2-CD1 3.47Å; I126-I170 HydrophobicContact CG2-CG1 3.68Å; I126-I170 WeakPolarHBondContact O-CD1 3.26Å; I170-K178 HydrophobicContact CG2-CB 4.2Å; I170-K178 HydrophobicContact CG2-CD 4.45Å; I170-K178 HydrophobicContact CG2-CG 4.32Å
171S66.9Low70.1Confident50 Ų5076.5 Ų76.535%0.3541%0.405SS..EExtended strand (participates in β ladder)trans-95.5119168.7-67.90000106.8E179 E181S171-E179 PolarHBondContact N-O 2.87Å; S171-E179 PolarHBondContact O-N 2.74Å; S171-E181 PolarHBondContact OG-OE2 2.8Å
172S61.5Low69.3Low96 Ų9679.2 Ų79.267%0.67142%0.421SS*.EExtended strand (participates in β ladder)trans-92114.6176.6-58.20000107.9
173D57.8Low68.4Low94 Ų9479.4 Ų79.450%0.50342%0.424SS..  trans-79.1152.6174.9-151.3-98.4000110.6E175 G176 G177D173-E175 PolarHBondContact O-N 3.21Å; D173-G176 PolarHBondContact O-N 3.32Å; D173-G177 PolarHBondContact N-O 2.7Å; D173-G177 VanDerWaalsContact N-O 3.09Å
174E56.3Low67.1Low203 Ų20387.2 Ų87.295%0.94947%0.466SS*.THydrogen-bonded Turntrans-64.8-13.9-173.2-61.1-165.9124.300113
175E57.9Low66.3Low191 Ų19188.1 Ų88.189%0.89348%0.475SS*.THydrogen-bonded Turntrans-93.97.1174.4-78.717956.600114.9D173 G177D173-E175 PolarHBondContact O-N 3.21Å; E175-G177 VanDerWaalsContact C-N 3.35Å
176G56.6Low65.4Low66 Ų6692.7 Ų92.768%0.6851%0.505SS*.SBendtrans828.917400000115D173D173-G176 PolarHBondContact O-N 3.32Å
177G55.3Low64.8Low40 Ų4099.8 Ų99.841%0.41253%0.528SS..  trans-77.3123.2162.900000110D173 E175D173-G177 PolarHBondContact N-O 2.7Å; D173-G177 VanDerWaalsContact N-O 3.09Å; E175-G177 VanDerWaalsContact C-N 3.35Å
178K60.7Low64.3Low82 Ų8296.5 Ų96.536%0.35752%0.519SS..EExtended strand (participates in β ladder)trans-90.1114.2169.7-69.4177.1-175.9167.60108.2E130 I170E130-K178 WeakPolarHBondContact OE2-CE 3.31Å; E130-K178 IonicContact OE2-NZ 2.96Å; E130-K178 PolarHBondContact OE2-NZ 3.03Å; I170-K178 HydrophobicContact CG2-CB 4.2Å; I170-K178 HydrophobicContact CG2-CD 4.45Å; I170-K178 HydrophobicContact CG2-CG 4.32Å
179E63.6Low64.1Low120 Ų12097 Ų9756%0.56152%0.523SS*.EExtended strand (participates in β ladder)trans-94.5130.6172-63.5-169.4133.500108.9S171S171-E179 PolarHBondContact N-O 2.87Å; S171-E179 PolarHBondContact O-N 2.74Å
180I68.6Low64.3Low55 Ų5595.4 Ų95.428%0.28252%0.517SS..EExtended strand (participates in β ladder)trans-96.6104.7178.8-56.5175.4000106.8I66 H131 V168I66-I180 HydrophobicContact CD1-CD1 4.4Å; I66-I180 HydrophobicContact CD1-CG2 3.91Å; I66-I180 HydrophobicContact CG2-CD1 3.99Å; H131-I180 HydrophobicContact CB-CD1 4.37Å; V168-I180 HydrophobicContact CB-CG2 3.97Å; V168-I180 HydrophobicContact CG1-CG2 3.28Å
181E69.3Low64.9Low103 Ų10398.2 Ų98.248%0.48152%0.524SS..EExtended strand (participates in β ladder)trans-90.4116.8174.3-65.8-180138.600108.4H169 S171H169-E181 HydrophobicContact CB-CB 4.47Å; H169-E181 PolarHBondContact N-O 2.94Å; H169-E181 PolarHBondContact O-N 2.79Å; S171-E181 PolarHBondContact OG-OE2 2.8Å
182L69.4Low65.4Low97 Ų9796.6 Ų96.651%0.50851%0.511SS..EExtended strand (participates in β ladder)trans-75.7134.2170.1-70.2165.6000108.1P166 V168 D184P166-L182 HydrophobicContact CG-CD2 4.26Å; V168-L182 HydrophobicContact CG1-CD2 3.43Å; V168-L182 VanDerWaalsContact CG1-CD2 3.43Å; V168-L182 HydrophobicContact CG1-CG 4.28Å; L182-D184 PolarHBondContact O-N 2.75Å
183S67.8Low66.1Low28 Ų2896 Ų9620%0.19650%0.501CS..PPolyproline II helixtrans-62.7124170.3-171.80000109.4R167 D185R167-S183 PolarHBondContact O-N 2.78Å; S183-D185 PolarHBondContact O-N 2.98Å
184D60.2Low67Low164 Ų16491.8 Ų91.888%0.87748%0.478SS*.SBendtrans-70.8-8.2176.6-84-54.9000112.7L182 P186L182-D184 PolarHBondContact O-N 2.75Å; D184-P186 WeakPolarHBondContact O-CD 3.15Å
185D67.4Low68Low105 Ų10587.3 Ų87.356%0.56146%0.457SS*.  trans-78.1111.2178.7-80.2-72.8000111.5S183 Y187 D188S183-D185 PolarHBondContact O-N 2.98Å; D185-Y187 PolarHBondContact O-N 2.77Å; D185-D188 HydrophobicContact CB-CB 4.05Å; D185-D188 PolarHBondContact O-N 2.86Å; D185-D188 VanDerWaalsContact O-N 3.13Å
186P64.7Low69.1Low101 Ų10179.7 Ų79.766%0.65642%0.423SS*.THydrogen-bonded Turntrans-70.1-1.7179.830.7-36.6000113.5D184D184-P186 WeakPolarHBondContact O-CD 3.15Å
187Y67.9Low70.5Confident187 Ų18776.6 Ų76.673%0.73339%0.39SS*.THydrogen-bonded Turntrans-105.5-16.3177.8-64.2-79.7000112.9D185 C189D185-Y187 PolarHBondContact O-N 2.77Å; Y187-C189 PolarHBondContact O-N 2.79Å
188D65.8Low72Confident50 Ų5074.7 Ų74.727%0.26737%0.371SS..  trans-87.666.6176.1-158.9-113.9000110R167 D185R167-D188 WeakPolarHBondContact CD-OD1 3.38Å; R167-D188 WeakPolarHBondContact CG-OD1 3.45Å; R167-D188 IonicContact CZ-OD1 3.78Å; R167-D188 IonicContact CZ-OD2 3.66Å; R167-D188 PolarHBondContact N-O 2.92Å; R167-D188 IonicContact NE-OD1 2.82Å; R167-D188 IonicContact NH1-OD1 2.69Å; R167-D188 PolarHBondContact NH1-OD1 2.84Å; R167-D188 IonicContact NH1-OD2 2.66Å; R167-D188 PolarHBondContact NH1-OD2 3.38Å; D185-D188 HydrophobicContact CB-CB 4.05Å; D185-D188 PolarHBondContact O-N 2.86Å; D185-D188 VanDerWaalsContact O-N 3.13Å
189C69.6Low73.3Confident38 Ų3870.8 Ų70.826%0.25735%0.354SS..EExtended strand (participates in β ladder)trans-106.6133.1176.7-54.10000110.4K164 I165 Y187K164-C189 HydrophobicContact CB-CB 3.69Å; K164-C189 HydrophobicContact CG-CB 4.19Å; I165-C189 CarbonylContact O-C 3.45Å; I165-C189 VanDerWaalsContact O-CA 3.26Å; I165-C189 WeakPolarHBondContact O-CA 3.47Å; Y187-C189 PolarHBondContact O-N 2.79Å
190M75.3Confident74.6Confident71 Ų7165.2 Ų65.235%0.3533%0.328SS..EExtended strand (participates in β ladder)trans-73.8133.6166.8-175.2164.5-169.200109.9I165I165-M190 PolarHBondContact N-O 3.29Å; I165-M190 PolarHBondContact O-N 3.27Å
191R79.4Confident75.7Confident121 Ų12162.6 Ų62.646%0.45731%0.314SS..EExtended strand (participates in β ladder)trans-105145.3170.9-64.4-173.7-176.1-177.13.6109.9E278R191-E278 IonicContact CZ-OE1 2.69Å; R191-E278 VanDerWaalsContact CZ-OE1 3.23Å; R191-E278 IonicContact NH1-OE1 2.79Å; R191-E278 PolarHBondContact NH1-OE1 2.88Å; R191-E278 IonicContact NH1-OE2 2.7Å; R191-E278 PolarHBondContact NH1-OE2 2.79Å; R191-E278 IonicContact NH2-OE1 3.61Å; R191-E278 PolarHBondContact NH2-OE1 2.88Å
192L78.1Confident76.8Confident16 Ų1658.2 Ų58.28%0.08430%0.295CS..  trans-83.6143.1174.9-72.7160.3000110.5L124 L135 L160 I165 V194L124-L192 HydrophobicContact CD1-CD2 4.37Å; L124-L192 HydrophobicContact CD2-CD2 4.09Å; L124-L192 HydrophobicContact CG-CD2 4.24Å; L135-L192 HydrophobicContact CD1-CD1 3.69Å; L160-L192 HydrophobicContact CD2-CD1 4.23Å; I165-L192 HydrophobicContact CD1-CD1 4.02Å; I165-L192 HydrophobicContact CD1-CG 4.25Å; L192-V194 PolarHBondContact O-N 3.32Å
193D75.7Confident77.9Confident85 Ų8553.6 Ų53.646%0.45527%0.271SS..  trans-75.8119.5169.7-168.9-80.3000109.8E195D193-E195 WeakPolarHBondContact OD1-CB 3.41Å; D193-E195 WeakPolarHBondContact OD1-CG 3.32Å; D193-E195 PolarHBondContact OD1-N 3.49Å
194V78.1Confident79Confident4 Ų452.3 Ų52.32%0.02426%0.262CS..  trans-107.28.7-177.8-57.70000113.6K157 L160 F161 L192 N196 V197 M271K157-V194 WeakPolarHBondContact CE-O 3.24Å; K157-V194 PolarHBondContact NZ-O 3.13Å; L160-V194 HydrophobicContact CB-CG1 3.91Å; F161-V194 HydrophobicContact CB-CG1 4.26Å; F161-V194 HydrophobicContact CB-CG2 4.07Å; F161-V194 HydrophobicContact CD2-CG2 3.51Å; F161-V194 HydrophobicContact CE2-CG2 4.44Å; F161-V194 HydrophobicContact CG-CG2 4.26Å; L192-V194 PolarHBondContact O-N 3.32Å; V194-N196 VanDerWaalsContact C-N 3.26Å; V194-N196 PolarHBondContact O-N 3.27Å; V194-V197 HydrophobicContact CB-CG2 3.98Å; V194-V197 HydrophobicContact CG1-CG2 4.35Å; V194-V197 PolarHBondContact O-N 2.85Å; V194-M271 HydrophobicContact CG2-CE 4.3Å; V194-M271 HydrophobicContact CG2-SD 4.29Å
195E76.4Confident80.5Confident109 Ų10945 Ų4551%0.50922%0.222SC..THydrogen-bonded Turntrans-61-42.4-175.3-63.6-166.5103.200110.1D193 H232D193-E195 WeakPolarHBondContact OD1-CB 3.41Å; D193-E195 WeakPolarHBondContact OD1-CG 3.32Å; D193-E195 PolarHBondContact OD1-N 3.49Å; E195-H232 PolarHBondContact O-ND1 3.03Å
196N81.9Confident81.5Confident32 Ų3240.1 Ų40.117%0.17120%0.196CC..THydrogen-bonded Turntrans-86.5-0.2-177.8-66.4-48.4000115H117 V194 P198 H232H117-N196 PolarHBondContact CE1-OD1 3.31Å; H117-N196 WeakPolarHBondContact O-CB 3.24Å; V194-N196 VanDerWaalsContact C-N 3.26Å; V194-N196 PolarHBondContact O-N 3.27Å; N196-P198 WeakPolarHBondContact O-CD 3.47Å; N196-H232 PolarHBondContact OD1-CE1 2.8Å; N196-H232 PolarHBondContact OD1-ND1 3.49Å
197V84.7Confident82.5Confident0 Ų036.7 Ų36.70%018%0.179CC..PPolyproline II helixtrans-62.7121.7177.91740000109.2F113 L119 K157 L160 V194 H267F113-V197 HydrophobicContact CE1-CG1 3.96Å; F113-V197 HydrophobicContact CZ-CG1 4.28Å; L119-V197 HydrophobicContact CD2-CG2 3.7Å; L119-V197 HydrophobicContact CG-CG2 4.4Å; K157-V197 HydrophobicContact CB-CG1 3.8Å; K157-V197 HydrophobicContact CD-CB 4.04Å; K157-V197 HydrophobicContact CD-CG1 3.94Å; K157-V197 HydrophobicContact CG-CB 4.11Å; K157-V197 HydrophobicContact CG-CG1 3.83Å; K157-V197 PolarHBondContact NZ-O 2.84Å; L160-V197 HydrophobicContact CD1-CG1 4.47Å; L160-V197 HydrophobicContact CD1-CG2 4.2Å; V194-V197 HydrophobicContact CB-CG2 3.98Å; V194-V197 HydrophobicContact CG1-CG2 4.35Å; V194-V197 PolarHBondContact O-N 2.85Å; V197-H267 PolarHBondContact O-CE1 2.79Å; V197-H267 VanDerWaalsContact O-CE1 3.24Å
198P87.1Confident83.3Confident1 Ų136.5 Ų36.51%0.00618%0.184CC..PPolyproline II helixtrans-76.5147.1-177.631.8-35.9000111.8V112 N196 V230 T231V112-P198 HydrophobicContact CG1-CB 4.23Å; V112-P198 HydrophobicContact CG1-CG 3.35Å; N196-P198 WeakPolarHBondContact O-CD 3.47Å; P198-V230 WeakPolarHBondContact CA-O 3.48Å; P198-T231 HydrophobicContact CB-CG2 4.12Å
199C87.9Confident84.3Confident0 Ų039.8 Ų39.80%019%0.193CC..EExtended strand (participates in β ladder)trans-100.7143.9167.4-70.20000109.2S229 V230 L266 H267C199-S229 CarbonylContact O-C 3.6Å; C199-S229 WeakPolarHBondContact O-CA 3.46Å; C199-V230 PolarHBondContact N-O 2.84Å; C199-V230 PolarHBondContact O-N 3.21Å; C199-L266 HydrophobicContact CB-CD2 4.21Å; C199-H267 PolarHBondContact SG-CE1 2.86Å
200I91.4Very high85.3Confident2 Ų239.1 Ų39.11%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-96.7119-179.2-60.6174.2000108.7L109 V112 D150 S153 I227 I228L109-I200 HydrophobicContact CD2-CD1 4.17Å; V112-I200 HydrophobicContact CG2-CD1 4.07Å; V112-I200 HydrophobicContact CG2-CG1 4.32Å; D150-I200 WeakPolarHBondContact CA-O 3.36Å; D150-I200 WeakPolarHBondContact CB-O 3.43Å; S153-I200 PolarHBondContact OG-N 3.36Å; I200-I227 HydrophobicContact CG2-CG2 3.24Å; I200-I228 CarbonylContact C-O 3.59Å; I200-I228 WeakPolarHBondContact CA-O 3.5Å
201V92.2Very high86.1Confident0 Ų035.7 Ų35.70%017%0.169CC..EExtended strand (participates in β ladder)trans-101.9127.7173179.40000108.7L203 V212 I228 V262V201-L203 HydrophobicContact CG1-CD1 3.88Å; V201-L203 HydrophobicContact CG1-CG 4.32Å; V201-V212 HydrophobicContact CG1-CG1 4.2Å; V201-I228 PolarHBondContact N-O 2.81Å; V201-I228 PolarHBondContact O-N 3.04Å; V201-V262 HydrophobicContact CG1-CB 4.34Å; V201-V262 HydrophobicContact CG1-CG1 3.81Å; V201-V262 HydrophobicContact CG2-CG1 3.9Å
202T92.1Very high86.6Confident11 Ų1130 Ų307%0.06715%0.147CC..EExtended strand (participates in β ladder)trans-102120.9175-53.10000109.8N147 I227N147-T202 PolarHBondContact OD1-OG1 3.1Å; T202-I227 HydrophobicContact CG2-CG1 4.43Å
203L92.2Very high87.1Confident0 Ų029.2 Ų29.20%014%0.144CC..EExtended strand (participates in β ladder)trans-110.3122.7173.8-61.8101.1000110V201 V211 V212 S225 L226 I228 M255 T258V201-L203 HydrophobicContact CG1-CD1 3.88Å; V201-L203 HydrophobicContact CG1-CG 4.32Å; L203-V211 CarbonylContact C-O 3.33Å; L203-V211 WeakPolarHBondContact CA-O 3.36Å; L203-V212 HydrophobicContact CD2-CG2 4.13Å; L203-V212 HydrophobicContact CG-CG2 4.26Å; L203-S225 CarbonylContact O-C 3.58Å; L203-S225 VanDerWaalsContact O-CA 3.26Å; L203-S225 WeakPolarHBondContact O-CA 3.43Å; L203-L226 PolarHBondContact N-O 2.75Å; L203-L226 PolarHBondContact O-N 3.07Å; L203-I228 HydrophobicContact CD1-CD1 3.75Å; L203-I228 HydrophobicContact CD1-CG1 4.08Å; L203-M255 HydrophobicContact CB-CE 4.16Å; L203-M255 HydrophobicContact CB-CG 4.4Å; L203-M255 HydrophobicContact CD2-CB 4.14Å; L203-M255 HydrophobicContact CD2-CG 4.31Å; L203-M255 WeakPolarHBondContact CD2-O 3.48Å; L203-T258 HydrophobicContact CD2-CG2 3.93Å
204C91.6Very high87.7Confident2 Ų225.4 Ų25.41%0.01412%0.124CC..EExtended strand (participates in β ladder)trans-101.9130.3176.5-65.90000110H210 V211 A214 S225C204-H210 CarbonylContact O-C 3.55Å; C204-H210 WeakPolarHBondContact O-CA 3.34Å; C204-V211 PolarHBondContact N-O 3.45Å; C204-V211 PolarHBondContact O-N 3Å; C204-A214 HydrophobicContact CB-CB 3.77Å; C204-A214 WeakPolarHBondContact SG-CB 3.23Å; C204-S225 PolarHBondContact SG-OG 3.23Å
205K90.7Very high88.2Confident11 Ų1125.6 Ų25.65%0.04813%0.125CC..EExtended strand (participates in β ladder)trans-84.9118.6172.3-173.3165.5-178.6158.80109.4G207 S222 V223 A224 L247 D248 S251 M255K205-G207 WeakPolarHBondContact CE-O 3.4Å; K205-S222 WeakPolarHBondContact O-CA 3.38Å; K205-S222 WeakPolarHBondContact O-CB 3.5Å; K205-V223 PolarHBondContact O-N 2.82Å; K205-V223 VanDerWaalsContact O-N 3.15Å; K205-A224 PolarHBondContact N-O 2.83Å; K205-L247 HydrophobicContact CB-CD1 3.88Å; K205-L247 HydrophobicContact CD-CD1 3.61Å; K205-L247 HydrophobicContact CD-CG 4.25Å; K205-L247 HydrophobicContact CG-CD1 4.34Å; K205-D248 IonicContact NZ-OD2 3.58Å; K205-D248 PolarHBondContact NZ-OD2 3.02Å; K205-S251 PolarHBondContact NZ-OG 3.07Å; K205-M255 HydrophobicContact CB-CE 3.61Å; K205-M255 HydrophobicContact CG-CE 4.48Å
206I88.9Confident88.7Confident2 Ų222.5 Ų22.51%0.0111%0.112CC..EExtended strand (participates in β ladder)trans-124.2109.3175.6-58.2167.8000107.3L15 I18 H208 R209 V211 E218 C221L15-I206 HydrophobicContact CD2-CG2 4Å; L15-I206 HydrophobicContact CG-CG2 4.04Å; I18-I206 HydrophobicContact CD1-CB 3.85Å; I18-I206 HydrophobicContact CD1-CD1 3.44Å; I18-I206 VanDerWaalsContact CD1-CD1 3.44Å; I18-I206 HydrophobicContact CD1-CG1 4.22Å; I18-I206 HydrophobicContact CD1-CG2 3.56Å; I206-H208 PolarHBondContact O-N 2.85Å; I206-R209 PolarHBondContact N-O 3.24Å; I206-R209 PolarHBondContact O-N 3.21Å; I206-R209 VanDerWaalsContact O-O 3.08Å; I206-V211 HydrophobicContact CD1-CB 4.46Å; I206-V211 HydrophobicContact CD1-CG2 4.26Å; I206-E218 HydrophobicContact CD1-CB 3.74Å; I206-E218 HydrophobicContact CD1-CG 4.33Å; I206-E218 WeakPolarHBondContact CD1-O 3.28Å; I206-C221 HydrophobicContact CG2-CB 4.49Å
207G85.5Confident88.9Confident28 Ų2825 Ų2529%0.28912%0.122SC..THydrogen-bonded Turntrans60.7-122.7-170.600000111.7K205K205-G207 WeakPolarHBondContact CE-O 3.4Å
208H84.2Confident89.1Confident183 Ų18325.2 Ų25.285%0.84712%0.123SC*.THydrogen-bonded Turntrans-94.8-8.2178.8-70.7-80.2000114I206I206-H208 PolarHBondContact O-N 2.85Å
209R87.8Confident89.1Confident120 Ų12027.9 Ų27.945%0.45314%0.135SC..EExtended strand (participates in β ladder)trans-105.5157.8-178.5-153.267.2171.3168.31.1110.5I18 I206I18-R209 HydrophobicContact CG2-CB 3.82Å; I18-R209 HydrophobicContact CG2-CG 4.31Å; I206-R209 PolarHBondContact N-O 3.24Å; I206-R209 PolarHBondContact O-N 3.21Å; I206-R209 VanDerWaalsContact O-O 3.08Å
210H90.2Very high89Confident23 Ų2330.1 Ų30.111%0.10615%0.153CC..EExtended strand (participates in β ladder)trans-108.9140.9170.856.3-93.6000109.4C204 M255 T258C204-H210 CarbonylContact O-C 3.55Å; C204-H210 WeakPolarHBondContact O-CA 3.34Å; H210-M255 HydrophobicContact CB-CE 3.51Å; H210-M255 HydrophobicContact CB-CG 3.86Å; H210-T258 PolarHBondContact NE2-OG1 3.01Å
211V91.4Very high88.8Confident0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-122.9137.1-178.91790000108.8I18 C29 L203 C204 I206I18-V211 HydrophobicContact CD1-CG2 4.08Å; I18-V211 HydrophobicContact CG1-CG2 4.16Å; I18-V211 HydrophobicContact CG2-CG2 3.63Å; C29-V211 HydrophobicContact CB-CG2 4.38Å; C29-V211 WeakPolarHBondContact O-CA 3.39Å; L203-V211 CarbonylContact C-O 3.33Å; L203-V211 WeakPolarHBondContact CA-O 3.36Å; C204-V211 PolarHBondContact N-O 3.45Å; C204-V211 PolarHBondContact O-N 3Å; I206-V211 HydrophobicContact CD1-CB 4.46Å; I206-V211 HydrophobicContact CD1-CG2 4.26Å
212V90.9Very high88.5Confident0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-95.8147.9173-175.20000109R23 C29 Y32 V201 L203 T258 V262R23-V212 PolarHBondContact NH1-O 3.05Å; C29-V212 PolarHBondContact O-N 3Å; Y32-V212 HydrophobicContact CD2-CG1 4.12Å; Y32-V212 HydrophobicContact CE1-CG1 4.26Å; Y32-V212 HydrophobicContact CE2-CB 4.48Å; Y32-V212 HydrophobicContact CE2-CG1 3.24Å; Y32-V212 WeakPolarHBondContact OH-CG1 3.48Å; V201-V212 HydrophobicContact CG1-CG1 4.2Å; L203-V212 HydrophobicContact CD2-CG2 4.13Å; L203-V212 HydrophobicContact CG-CG2 4.26Å; V212-T258 HydrophobicContact CG2-CG2 4.33Å; V212-V262 HydrophobicContact CG1-CG1 4.28Å; V212-V262 HydrophobicContact CG2-CG2 4.31Å
213D89.2Confident88.2Confident1 Ų135.2 Ų35.21%0.00519%0.186CC..SBendtrans55.454.2-178.2-176-116.3000112.7R23 R27 Y32 R33 N147 T215R23-D213 PolarHBondContact NH2-O 3.25Å; R27-D213 IonicContact CZ-OD1 3.86Å; R27-D213 IonicContact NH1-OD1 3.05Å; R27-D213 PolarHBondContact NH1-OD1 3.35Å; R27-D213 IonicContact NH2-OD1 3.8Å; Y32-D213 HydrophobicContact CD1-CB 3.89Å; Y32-D213 HydrophobicContact CE1-CB 4.02Å; Y32-D213 HydrophobicContact CG-CB 4.43Å; R33-D213 WeakPolarHBondContact CG-OD1 3.32Å; R33-D213 IonicContact CZ-OD1 3.23Å; R33-D213 IonicContact NE-OD1 3.35Å; R33-D213 PolarHBondContact NE-OD1 2.96Å; R33-D213 IonicContact NH2-OD1 2.87Å; N147-D213 WeakPolarHBondContact CB-OD2 3.44Å; N147-D213 PolarHBondContact ND2-OD2 3.11Å; D213-T215 PolarHBondContact O-N 3.23Å
214A87.8Confident88.1Confident4 Ų435.2 Ų35.23%0.03319%0.186CC..  trans-65130.3179.500000111.5C204 E218C204-A214 HydrophobicContact CB-CB 3.77Å; C204-A214 WeakPolarHBondContact SG-CB 3.23Å; A214-E218 WeakPolarHBondContact CA-OE2 3.5Å; A214-E218 HydrophobicContact CB-CB 4.11Å
215T88Confident88Confident9 Ų935.5 Ų35.56%0.05519%0.188CC..  trans-64.8165.9169.365.80000110.2D213 Q217 E218 K219D213-T215 PolarHBondContact O-N 3.23Å; T215-Q217 PolarHBondContact O-N 3.37Å; T215-E218 PolarHBondContact N-OE2 3.31Å; T215-E218 PolarHBondContact O-N 2.87Å; T215-E218 WeakPolarHBondContact OG1-CB 3.44Å; T215-E218 VanDerWaalsContact OG1-CG 3.31Å; T215-E218 WeakPolarHBondContact OG1-CG 3.41Å; T215-E218 PolarHBondContact OG1-N 3.08Å; T215-E218 PolarHBondContact OG1-OE2 2.93Å; T215-K219 VanDerWaalsContact O-CB 3.31Å; T215-K219 WeakPolarHBondContact O-CB 3.46Å; T215-K219 PolarHBondContact O-N 3.24Å
216L86.3Confident88Confident44 Ų4435.4 Ų35.423%0.2319%0.188CC..Hα-helixtrans-56.9-39.3175-70.2176000112.4V4 K219 A220V4-L216 HydrophobicContact CG2-CB 4.08Å; V4-L216 HydrophobicContact CG2-CD1 4.35Å; L216-K219 PolarHBondContact O-N 3.15Å; L216-A220 WeakPolarHBondContact O-CB 3.49Å; L216-A220 PolarHBondContact O-N 2.84Å
217Q87.8Confident88.2Confident85 Ų8535.7 Ų35.740%0.39719%0.189SC..Hα-helixtrans-64.7-46.5178.2-65.4169.3-28.200111.4V4 V6 I14 T215 A220 C221V4-Q217 HydrophobicContact CG1-CG 4.3Å; V6-Q217 HydrophobicContact CG2-CB 4.44Å; I14-Q217 HydrophobicContact CD1-CB 4.2Å; T215-Q217 PolarHBondContact O-N 3.37Å; Q217-A220 WeakPolarHBondContact O-CB 3.29Å; Q217-A220 PolarHBondContact O-N 3.34Å; Q217-C221 PolarHBondContact O-N 3.13Å; Q217-C221 PolarHBondContact O-SG 3.17Å
218E88.2Confident88.5Confident3 Ų334.3 Ų34.31%0.01418%0.176CC..Hα-helixtrans-65.4-39.8176.8-73.1170162.200111.8I14 R23 I206 A214 T215 A220 C221 S222I14-E218 HydrophobicContact CG2-CG 3.99Å; R23-E218 IonicContact CZ-OE1 3.89Å; R23-E218 IonicContact CZ-OE2 2.73Å; R23-E218 IonicContact NE-OE1 3Å; R23-E218 PolarHBondContact NE-OE1 3.15Å; R23-E218 IonicContact NE-OE2 2.81Å; R23-E218 IonicContact NH2-OE1 3.94Å; R23-E218 PolarHBondContact NH2-OE1 3.32Å; R23-E218 IonicContact NH2-OE2 3.73Å; R23-E218 PolarHBondContact NH2-OE2 3.43Å; I206-E218 HydrophobicContact CD1-CB 3.74Å; I206-E218 HydrophobicContact CD1-CG 4.33Å; I206-E218 WeakPolarHBondContact CD1-O 3.28Å; A214-E218 WeakPolarHBondContact CA-OE2 3.5Å; A214-E218 HydrophobicContact CB-CB 4.11Å; T215-E218 PolarHBondContact N-OE2 3.31Å; T215-E218 PolarHBondContact O-N 2.87Å; T215-E218 WeakPolarHBondContact OG1-CB 3.44Å; T215-E218 VanDerWaalsContact OG1-CG 3.31Å; T215-E218 WeakPolarHBondContact OG1-CG 3.41Å; T215-E218 PolarHBondContact OG1-N 3.08Å; T215-E218 PolarHBondContact OG1-OE2 2.93Å; E218-A220 VanDerWaalsContact C-N 3.3Å; E218-A220 PolarHBondContact O-N 2.75Å; E218-C221 CarbonylContact O-C 3.59Å; E218-C221 WeakPolarHBondContact O-CA 3.36Å; E218-C221 WeakPolarHBondContact O-CB 3.3Å; E218-C221 PolarHBondContact O-N 2.92Å; E218-S222 PolarHBondContact O-N 3.17Å
219K86.9Confident88.8Confident58 Ų5825.7 Ų25.725%0.25214%0.136SC..Hα-helixtrans-62.1-38.5175.1-171.4176.5-178.5177.40111.6T215 L216 C221 S222T215-K219 VanDerWaalsContact O-CB 3.31Å; T215-K219 WeakPolarHBondContact O-CB 3.46Å; T215-K219 PolarHBondContact O-N 3.24Å; L216-K219 PolarHBondContact O-N 3.15Å; K219-C221 PolarHBondContact O-N 3.26Å; K219-S222 WeakPolarHBondContact O-CB 3.46Å; K219-S222 PolarHBondContact O-N 2.97Å; K219-S222 VanDerWaalsContact O-N 3.13Å; K219-S222 PolarHBondContact O-OG 2.87Å
220A86.4Confident88.9Confident47 Ų4720 Ų2039%0.38811%0.114SC..Hα-helixtrans-66-26.8174.400000113V6 L216 Q217 E218V6-A220 HydrophobicContact CG2-CB 3.93Å; L216-A220 WeakPolarHBondContact O-CB 3.49Å; L216-A220 PolarHBondContact O-N 2.84Å; Q217-A220 WeakPolarHBondContact O-CB 3.29Å; Q217-A220 PolarHBondContact O-N 3.34Å; E218-A220 VanDerWaalsContact C-N 3.3Å; E218-A220 PolarHBondContact O-N 2.75Å
221C86Confident88.8Confident21 Ų2119.3 Ų19.314%0.14211%0.112CC..Hα-helixtrans-83.6-17.1173.2-56.90000113I206 Q217 E218 K219I206-C221 HydrophobicContact CG2-CB 4.49Å; Q217-C221 PolarHBondContact O-N 3.13Å; Q217-C221 PolarHBondContact O-SG 3.17Å; E218-C221 CarbonylContact O-C 3.59Å; E218-C221 WeakPolarHBondContact O-CA 3.36Å; E218-C221 WeakPolarHBondContact O-CB 3.3Å; E218-C221 PolarHBondContact O-N 2.92Å; K219-C221 PolarHBondContact O-N 3.26Å
222S86.3Confident88.4Confident25 Ų2522.6 Ų22.618%0.17513%0.127CC..  trans-75.5141.9-174.877.60000112.5K205 E218 K219K205-S222 WeakPolarHBondContact O-CA 3.38Å; K205-S222 WeakPolarHBondContact O-CB 3.5Å; E218-S222 PolarHBondContact O-N 3.17Å; K219-S222 WeakPolarHBondContact O-CB 3.46Å; K219-S222 PolarHBondContact O-N 2.97Å; K219-S222 VanDerWaalsContact O-N 3.13Å; K219-S222 PolarHBondContact O-OG 2.87Å
223V86.6Confident88Confident74 Ų7427.6 Ų27.645%0.44815%0.149SC..SBendtrans-82.9-39.5177.4-124.60000110.7K205 G245K205-V223 PolarHBondContact O-N 2.82Å; K205-V223 VanDerWaalsContact O-N 3.15Å; V223-G245 VanDerWaalsContact O-CA 3.24Å; V223-G245 WeakPolarHBondContact O-CA 3.38Å; V223-G245 PolarHBondContact O-N 3.5Å
224A89.3Confident87.6Confident0 Ų027.9 Ų27.90%015%0.151CC..EExtended strand (participates in β ladder)trans-154154.2-17900000110.4K205 L247K205-A224 PolarHBondContact N-O 2.83Å; A224-L247 HydrophobicContact CB-CD1 3.47Å; A224-L247 VanDerWaalsContact CB-CD1 3.47Å
225S89.6Confident87.6Confident8 Ų832 Ų326%0.05617%0.172CC..EExtended strand (participates in β ladder)trans-125.2138176.7-54.80000109.2L203 C204 K241 V242L203-S225 CarbonylContact O-C 3.58Å; L203-S225 VanDerWaalsContact O-CA 3.26Å; L203-S225 WeakPolarHBondContact O-CA 3.43Å; C204-S225 PolarHBondContact SG-OG 3.23Å; S225-K241 CarbonylContact O-C 3.51Å; S225-K241 WeakPolarHBondContact O-CA 3.2Å; S225-V242 PolarHBondContact N-O 2.9Å; S225-V242 PolarHBondContact O-N 2.81Å
226L91.5Very high87.5Confident9 Ų934.7 Ų34.75%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-111.4121.1174.4-173.363.3000108.4L203 I228 K241 I252 M255 I256L203-L226 PolarHBondContact N-O 2.75Å; L203-L226 PolarHBondContact O-N 3.07Å; L226-I228 HydrophobicContact CD2-CD1 3.81Å; L226-I228 HydrophobicContact CD2-CG1 4.12Å; L226-I228 HydrophobicContact CG-CD1 4.11Å; L226-I228 HydrophobicContact CG-CG1 3.86Å; L226-K241 HydrophobicContact CD1-CB 4.3Å; L226-I252 HydrophobicContact CD2-CG2 4.27Å; L226-M255 HydrophobicContact CB-SD 3.99Å; L226-M255 HydrophobicContact CD2-CB 3.8Å; L226-M255 HydrophobicContact CD2-SD 4.16Å; L226-I256 HydrophobicContact CD2-CG1 4.25Å
227I92.2Very high87.4Confident7 Ų734.2 Ų34.24%0.03618%0.184CC..EExtended strand (participates in β ladder)trans-97.9124.9176-57175.8000106.8Y149 I200 T202 S239 R240 V242Y149-I227 HydrophobicContact CD1-CD1 3.97Å; Y149-I227 HydrophobicContact CD2-CD1 3.81Å; Y149-I227 HydrophobicContact CD2-CG1 4.46Å; Y149-I227 HydrophobicContact CE1-CD1 3.75Å; Y149-I227 HydrophobicContact CE2-CD1 3.61Å; Y149-I227 HydrophobicContact CG-CD1 4.01Å; I200-I227 HydrophobicContact CG2-CG2 3.24Å; T202-I227 HydrophobicContact CG2-CG1 4.43Å; I227-S239 CarbonylContact O-C 3.46Å; I227-S239 VanDerWaalsContact O-CA 3.3Å; I227-S239 WeakPolarHBondContact O-CA 3.44Å; I227-R240 HydrophobicContact CB-CB 4.46Å; I227-R240 PolarHBondContact N-O 2.84Å; I227-R240 PolarHBondContact O-N 2.84Å; I227-V242 HydrophobicContact CD1-CB 4.4Å; I227-V242 HydrophobicContact CD1-CG2 3.54Å; I227-V242 HydrophobicContact CG1-CG2 4.25Å
228I91.8Very high87.2Confident0 Ų031.4 Ų31.40%017%0.174CC..EExtended strand (participates in β ladder)trans-128.3128.9-178.3-51.4-175.9000108.1I200 V201 L203 L226 V230 I236 I256I200-I228 CarbonylContact C-O 3.59Å; I200-I228 WeakPolarHBondContact CA-O 3.5Å; V201-I228 PolarHBondContact N-O 2.81Å; V201-I228 PolarHBondContact O-N 3.04Å; L203-I228 HydrophobicContact CD1-CD1 3.75Å; L203-I228 HydrophobicContact CD1-CG1 4.08Å; L226-I228 HydrophobicContact CD2-CD1 3.81Å; L226-I228 HydrophobicContact CD2-CG1 4.12Å; L226-I228 HydrophobicContact CG-CD1 4.11Å; L226-I228 HydrophobicContact CG-CG1 3.86Å; I228-V230 HydrophobicContact CG2-CG2 3.77Å; I228-I236 HydrophobicContact CG2-CG1 4.2Å; I228-I236 HydrophobicContact CG2-CG2 3.72Å; I228-I256 HydrophobicContact CD1-CB 4.27Å; I228-I256 HydrophobicContact CD1-CG1 3.81Å
229S90.6Very high87.3Confident2 Ų234.7 Ų34.71%0.01420%0.197CC..EExtended strand (participates in β ladder)trans-101.7127.1172.952.20000110.1C199 I236 T237 C238C199-S229 CarbonylContact O-C 3.6Å; C199-S229 WeakPolarHBondContact O-CA 3.46Å; S229-I236 WeakPolarHBondContact O-CA 3.3Å; S229-T237 PolarHBondContact O-N 3.23Å; S229-T237 WeakPolarHBondContact OG-CB 3.49Å; S229-C238 PolarHBondContact N-O 2.92Å; S229-C238 WeakPolarHBondContact OG-CA 3.41Å; S229-C238 VanDerWaalsContact OG-CB 3.28Å; S229-C238 WeakPolarHBondContact OG-CB 3.2Å; S229-C238 PolarHBondContact OG-N 2.96Å; S229-C238 PolarHBondContact OG-O 3.44Å
230V90Very high87.4Confident0 Ų035.3 Ų35.30%020%0.198CC..EExtended strand (participates in β ladder)trans-127.6128.8-171.8-175.10000109.6P198 C199 I228 I236 H267P198-V230 WeakPolarHBondContact CA-O 3.48Å; C199-V230 PolarHBondContact N-O 2.84Å; C199-V230 PolarHBondContact O-N 3.21Å; I228-V230 HydrophobicContact CG2-CG2 3.77Å; V230-I236 HydrophobicContact CG2-CG1 4.48Å; V230-H267 PolarHBondContact O-NE2 2.69Å
231T88.2Confident87.6Confident8 Ų837.6 Ų37.65%0.04920%0.199CC..  trans-81.4166.6172.256.90000111.4P198 K233 G234 I235P198-T231 HydrophobicContact CB-CG2 4.12Å; T231-K233 PolarHBondContact O-N 2.7Å; T231-K233 VanDerWaalsContact O-N 3.13Å; T231-G234 WeakPolarHBondContact O-CA 3.26Å; T231-G234 PolarHBondContact O-N 3.44Å; T231-I235 PolarHBondContact N-O 3.03Å; T231-I235 WeakPolarHBondContact OG1-CB 3.41Å; T231-I235 PolarHBondContact OG1-N 3.35Å; T231-I235 VanDerWaalsContact OG1-N 3.13Å; T231-I235 PolarHBondContact OG1-O 3.26Å
232H83.6Confident87.6Confident69 Ų6937.9 Ų37.932%0.31920%0.2SC..THydrogen-bonded Turntrans-56.1-32.1176.976-95.5000113.1E195 N196 G234 H267E195-H232 PolarHBondContact O-ND1 3.03Å; N196-H232 PolarHBondContact OD1-CE1 2.8Å; N196-H232 PolarHBondContact OD1-ND1 3.49Å; H232-G234 PolarHBondContact O-N 2.9Å; H232-H267 HydrophobicContact CB-CB 4.35Å
233K82.4Confident87.4Confident106 Ų10638.7 Ų38.746%0.46121%0.212SC..THydrogen-bonded Turntrans-71.9-11.5177.3-56.8-172-176.7177.50112.7T231 I235T231-K233 PolarHBondContact O-N 2.7Å; T231-K233 VanDerWaalsContact O-N 3.13Å; K233-I235 HydrophobicContact CB-CD1 4.19Å; K233-I235 HydrophobicContact CB-CG1 4.16Å
234G80.6Confident87.1Confident6 Ų647.3 Ų47.36%0.06224%0.236CC..  trans77.122.4-17300000113.5T231 H232 K260 K264T231-G234 WeakPolarHBondContact O-CA 3.26Å; T231-G234 PolarHBondContact O-N 3.44Å; H232-G234 PolarHBondContact O-N 2.9Å; G234-K260 VanDerWaalsContact O-CE 3.24Å; G234-K260 WeakPolarHBondContact O-CE 3.36Å; G234-K264 VanDerWaalsContact CA-CE 3.45Å
235I86.7Confident86.9Confident92 Ų9248.1 Ų48.147%0.47225%0.245SC..  trans-81132.8168.3-56.4168.3000107T231 K233T231-I235 PolarHBondContact N-O 3.03Å; T231-I235 WeakPolarHBondContact OG1-CB 3.41Å; T231-I235 PolarHBondContact OG1-N 3.35Å; T231-I235 VanDerWaalsContact OG1-N 3.13Å; T231-I235 PolarHBondContact OG1-O 3.26Å; K233-I235 HydrophobicContact CB-CD1 4.19Å; K233-I235 HydrophobicContact CB-CG1 4.16Å
236I86.6Confident86.7Confident64 Ų6452.7 Ų52.733%0.32828%0.277SS..EExtended strand (participates in β ladder)trans-89.5123.4178.2-60.9155.1000108I228 S229 V230 I256I228-I236 HydrophobicContact CG2-CG1 4.2Å; I228-I236 HydrophobicContact CG2-CG2 3.72Å; S229-I236 WeakPolarHBondContact O-CA 3.3Å; V230-I236 HydrophobicContact CG2-CG1 4.48Å; I236-I256 HydrophobicContact CD1-CG2 3.33Å
237T83.3Confident86.3Confident34 Ų3453.7 Ų53.721%0.20928%0.282CS..EExtended strand (participates in β ladder)trans-90.7-44.3-174.2-560000110.8V112 N115 S229V112-T237 VanDerWaalsContact O-CG2 3.22Å; V112-T237 WeakPolarHBondContact O-CG2 3.38Å; N115-T237 HydrophobicContact CB-CG2 3.85Å; N115-T237 WeakPolarHBondContact ND2-CG2 3.09Å; S229-T237 PolarHBondContact O-N 3.23Å; S229-T237 WeakPolarHBondContact OG-CB 3.49Å
238C84.6Confident86.2Confident26 Ų2657.3 Ų57.318%0.17630%0.302CS..EExtended strand (participates in β ladder)trans-146.7139.5-179.5-178.10000108.9V112 S229V112-C238 HydrophobicContact CG2-CB 4.15Å; S229-C238 PolarHBondContact N-O 2.92Å; S229-C238 WeakPolarHBondContact OG-CA 3.41Å; S229-C238 VanDerWaalsContact OG-CB 3.28Å; S229-C238 WeakPolarHBondContact OG-CB 3.2Å; S229-C238 PolarHBondContact OG-N 2.96Å; S229-C238 PolarHBondContact OG-O 3.44Å
239S89.2Confident86Confident72 Ų7261.9 Ų61.950%0.50333%0.332SS..EExtended strand (participates in β ladder)trans-123.1136.2164.7620000108.9I227I227-S239 CarbonylContact O-C 3.46Å; I227-S239 VanDerWaalsContact O-CA 3.3Å; I227-S239 WeakPolarHBondContact O-CA 3.44Å
240R89.7Confident85.9Confident72 Ų7269.2 Ų69.227%0.27237%0.365SS..EExtended strand (participates in β ladder)trans-141.6124.2-180-178.8175.9-179.2140.10.4110.2I227 V242I227-R240 HydrophobicContact CB-CB 4.46Å; I227-R240 PolarHBondContact N-O 2.84Å; I227-R240 PolarHBondContact O-N 2.84Å; R240-V242 HydrophobicContact CG-CG2 4.11Å
241K90.4Very high85.8Confident95 Ų9570 Ų7041%0.41337%0.371SS..EExtended strand (participates in β ladder)trans-83.9130.4170.2-177.7-95.1-173.3177.20109.7S225 L226 G243 G245S225-K241 CarbonylContact O-C 3.51Å; S225-K241 WeakPolarHBondContact O-CA 3.2Å; L226-K241 HydrophobicContact CD1-CB 4.3Å; K241-G243 PolarHBondContact NZ-O 3.48Å; K241-G245 WeakPolarHBondContact CE-O 3.26Å; K241-G245 PolarHBondContact NZ-O 2.77Å
242V87.2Confident85.9Confident27 Ų2772.6 Ų72.616%0.16438%0.384CS..EExtended strand (participates in β ladder)trans-124.6150.5175.6-179.20000108.2S225 I227 R240S225-V242 PolarHBondContact N-O 2.9Å; S225-V242 PolarHBondContact O-N 2.81Å; I227-V242 HydrophobicContact CD1-CB 4.4Å; I227-V242 HydrophobicContact CD1-CG2 3.54Å; I227-V242 HydrophobicContact CG1-CG2 4.25Å; R240-V242 HydrophobicContact CG-CG2 4.11Å
243G82.1Confident86.2Confident41 Ų4173.5 Ų73.542%0.42340%0.397SS..SBendtrans104.8160.5-178.500000113.5K241K241-G243 PolarHBondContact NZ-O 3.48Å
244R79.8Confident86.6Confident255 Ų25573.2 Ų73.296%0.96240%0.397SS*.SBendtrans-89-15.3-168.2-58.9-162.1-168.3-84.81.6114.3
245G84.1Confident87.1Confident18 Ų1873 Ų7319%0.18640%0.395CS..SBendtrans-79.7171.1-179.600000114.7V223 K241V223-G245 VanDerWaalsContact O-CA 3.24Å; V223-G245 WeakPolarHBondContact O-CA 3.38Å; V223-G245 PolarHBondContact O-N 3.5Å; K241-G245 WeakPolarHBondContact CE-O 3.26Å; K241-G245 PolarHBondContact NZ-O 2.77Å
246S85.3Confident87.3Confident103 Ų10370.9 Ų70.972%0.7238%0.384SS*.  trans-81.8159.3169.350.60000111.4
247L84.9Confident87.6Confident30 Ų3073.6 Ų73.616%0.15740%0.395CS..  trans-130.8133.9172.1-141.182.1000109.2K205 A224 I252 M255K205-L247 HydrophobicContact CB-CD1 3.88Å; K205-L247 HydrophobicContact CD-CD1 3.61Å; K205-L247 HydrophobicContact CD-CG 4.25Å; K205-L247 HydrophobicContact CG-CD1 4.34Å; A224-L247 HydrophobicContact CB-CD1 3.47Å; A224-L247 VanDerWaalsContact CB-CD1 3.47Å; L247-I252 HydrophobicContact CB-CD1 4.42Å; L247-I252 HydrophobicContact CB-CG1 4.31Å; L247-I252 HydrophobicContact CD2-CB 4.44Å; L247-I252 HydrophobicContact CD2-CD1 4.2Å; L247-I252 HydrophobicContact CD2-CG1 3.32Å; L247-I252 HydrophobicContact CG-CG1 4.18Å; L247-M255 HydrophobicContact CD2-SD 3.75Å
248D88.6Confident87.9Confident84 Ų8472.3 Ų72.345%0.44939%0.388SS..  trans-71.1140173.9-48.5-83.8000110.2K205 E250 S251 I252K205-D248 IonicContact NZ-OD2 3.58Å; K205-D248 PolarHBondContact NZ-OD2 3.02Å; D248-E250 VanDerWaalsContact C-N 3.28Å; D248-E250 PolarHBondContact O-N 3.5Å; D248-S251 PolarHBondContact O-N 2.72Å; D248-I252 PolarHBondContact O-N 3.43Å; D248-I252 VanDerWaalsContact O-N 3.15Å
249P88.1Confident88.2Confident96 Ų9671.1 Ų71.162%0.62338%0.379SS*.Hα-helixtrans-63.1-34.4-177.825.4-33.8000112.7I252 C253P249-I252 WeakPolarHBondContact O-CB 2.96Å; P249-I252 PolarHBondContact O-N 3.05Å; P249-C253 PolarHBondContact O-N 2.97Å
250E88.9Confident88.3Confident155 Ų15571.8 Ų71.872%0.72437%0.373SS*.Hα-helixtrans-63.9-44.4176.6-65179.992.700111.2D248 I252 C253 E254D248-E250 VanDerWaalsContact C-N 3.28Å; D248-E250 PolarHBondContact O-N 3.5Å; E250-I252 VanDerWaalsContact C-N 3.26Å; E250-I252 PolarHBondContact O-N 3.4Å; E250-C253 WeakPolarHBondContact O-CB 3.22Å; E250-C253 PolarHBondContact O-N 3.13Å; E250-C253 VanDerWaalsContact O-N 3.15Å; E250-E254 PolarHBondContact O-N 2.97Å; E250-E254 VanDerWaalsContact O-N 3.17Å
251S87.1Confident88.4Confident18 Ų1874.2 Ų74.213%0.12638%0.382CS..Hα-helixtrans-64.1-30175.9-620000112.9K205 D248 M255K205-S251 PolarHBondContact NZ-OG 3.07Å; D248-S251 PolarHBondContact O-N 2.72Å; S251-M255 WeakPolarHBondContact O-CB 3.48Å; S251-M255 WeakPolarHBondContact O-CG 3.32Å; S251-M255 PolarHBondContact O-N 2.95Å
252I90.1Very high88.3Confident61 Ų6170.3 Ų70.331%0.31337%0.366SS..Hα-helixtrans-62.8-45.8174.6-66.1170.8000110L226 L247 D248 P249 E250 M255 I256L226-I252 HydrophobicContact CD2-CG2 4.27Å; L247-I252 HydrophobicContact CB-CD1 4.42Å; L247-I252 HydrophobicContact CB-CG1 4.31Å; L247-I252 HydrophobicContact CD2-CB 4.44Å; L247-I252 HydrophobicContact CD2-CD1 4.2Å; L247-I252 HydrophobicContact CD2-CG1 3.32Å; L247-I252 HydrophobicContact CG-CG1 4.18Å; D248-I252 PolarHBondContact O-N 3.43Å; D248-I252 VanDerWaalsContact O-N 3.15Å; P249-I252 WeakPolarHBondContact O-CB 2.96Å; P249-I252 PolarHBondContact O-N 3.05Å; E250-I252 VanDerWaalsContact C-N 3.26Å; E250-I252 PolarHBondContact O-N 3.4Å; I252-M255 PolarHBondContact O-N 2.75Å; I252-I256 HydrophobicContact CG2-CD1 3.67Å; I252-I256 HydrophobicContact CG2-CG1 4.34Å; I252-I256 WeakPolarHBondContact O-CB 3.26Å; I252-I256 VanDerWaalsContact O-CG1 3.23Å; I252-I256 WeakPolarHBondContact O-CG1 3.3Å; I252-I256 PolarHBondContact O-N 2.81Å
253C90.6Very high88.3Confident88 Ų8869 Ų6960%0.59536%0.359SS*.Hα-helixtrans-61.7-45.4179.2-67.10000111.6P249 E250 I256 E257P249-C253 PolarHBondContact O-N 2.97Å; E250-C253 WeakPolarHBondContact O-CB 3.22Å; E250-C253 PolarHBondContact O-N 3.13Å; E250-C253 VanDerWaalsContact O-N 3.15Å; C253-I256 PolarHBondContact O-N 3.13Å; C253-E257 PolarHBondContact O-N 3.42Å
254E90.4Very high88.6Confident100 Ų10071.3 Ų71.347%0.46736%0.357SS..Hα-helixtrans-60.8-46.6175.7-67-179101.300111.6E250 I256 E257 T258E250-E254 PolarHBondContact O-N 2.97Å; E250-E254 VanDerWaalsContact O-N 3.17Å; E254-I256 VanDerWaalsContact C-N 3.26Å; E254-I256 PolarHBondContact O-N 3.28Å; E254-E257 PolarHBondContact O-N 3.34Å; E254-E257 VanDerWaalsContact O-N 3.16Å; E254-T258 PolarHBondContact O-N 3.42Å; E254-T258 PolarHBondContact O-OG1 3.04Å
255M90.6Very high89Confident1 Ų162.3 Ų62.31%0.00534%0.337CS..Hα-helixtrans-61-35.7177.5-75.9177.7145.600112.4L203 K205 H210 L226 L247 S251 I252 G259L203-M255 HydrophobicContact CB-CE 4.16Å; L203-M255 HydrophobicContact CB-CG 4.4Å; L203-M255 HydrophobicContact CD2-CB 4.14Å; L203-M255 HydrophobicContact CD2-CG 4.31Å; L203-M255 WeakPolarHBondContact CD2-O 3.48Å; K205-M255 HydrophobicContact CB-CE 3.61Å; K205-M255 HydrophobicContact CG-CE 4.48Å; H210-M255 HydrophobicContact CB-CE 3.51Å; H210-M255 HydrophobicContact CB-CG 3.86Å; L226-M255 HydrophobicContact CB-SD 3.99Å; L226-M255 HydrophobicContact CD2-CB 3.8Å; L226-M255 HydrophobicContact CD2-SD 4.16Å; L247-M255 HydrophobicContact CD2-SD 3.75Å; S251-M255 WeakPolarHBondContact O-CB 3.48Å; S251-M255 WeakPolarHBondContact O-CG 3.32Å; S251-M255 PolarHBondContact O-N 2.95Å; I252-M255 PolarHBondContact O-N 2.75Å; M255-G259 PolarHBondContact O-N 3Å
256I91.9Very high89Confident49 Ų4962.7 Ų62.725%0.25133%0.334SS..Hα-helixtrans-66.9-42.3176.2-72.8168.2000111.3L226 I228 I236 I252 C253 E254 G259 K260L226-I256 HydrophobicContact CD2-CG1 4.25Å; I228-I256 HydrophobicContact CD1-CB 4.27Å; I228-I256 HydrophobicContact CD1-CG1 3.81Å; I236-I256 HydrophobicContact CD1-CG2 3.33Å; I252-I256 HydrophobicContact CG2-CD1 3.67Å; I252-I256 HydrophobicContact CG2-CG1 4.34Å; I252-I256 WeakPolarHBondContact O-CB 3.26Å; I252-I256 VanDerWaalsContact O-CG1 3.23Å; I252-I256 WeakPolarHBondContact O-CG1 3.3Å; I252-I256 PolarHBondContact O-N 2.81Å; C253-I256 PolarHBondContact O-N 3.13Å; E254-I256 VanDerWaalsContact C-N 3.26Å; E254-I256 PolarHBondContact O-N 3.28Å; I256-G259 PolarHBondContact O-N 2.94Å; I256-K260 WeakPolarHBondContact O-CB 3.47Å; I256-K260 PolarHBondContact O-N 2.85Å
257E92Very high89Confident120 Ų12058 Ų5856%0.56130%0.301SS*.Hα-helixtrans-64.8-47.4177.4-167.2-175.5155.400111.5C253 E254 G259 K260 R261C253-E257 PolarHBondContact O-N 3.42Å; E254-E257 PolarHBondContact O-N 3.34Å; E254-E257 VanDerWaalsContact O-N 3.16Å; E257-G259 PolarHBondContact O-N 2.94Å; E257-K260 WeakPolarHBondContact O-CB 3.28Å; E257-K260 PolarHBondContact O-N 2.89Å; E257-R261 PolarHBondContact O-N 2.81Å; E257-R261 IonicContact OE1-NH2 3.55Å; E257-R261 PolarHBondContact OE1-NH2 2.85Å
258T90.9Very high89Confident8 Ų860.4 Ų60.45%0.04932%0.318CS..Hα-helixtrans-59.7-46.8175-59.10000110.8E30 L203 H210 V212 E254 K260 R261 V262E30-T258 HydrophobicContact CG-CG2 4.04Å; E30-T258 WeakPolarHBondContact OE1-CG2 3.38Å; L203-T258 HydrophobicContact CD2-CG2 3.93Å; H210-T258 PolarHBondContact NE2-OG1 3.01Å; V212-T258 HydrophobicContact CG2-CG2 4.33Å; E254-T258 PolarHBondContact O-N 3.42Å; E254-T258 PolarHBondContact O-OG1 3.04Å; T258-K260 VanDerWaalsContact C-N 3.28Å; T258-K260 PolarHBondContact O-N 2.85Å; T258-R261 WeakPolarHBondContact O-CB 3.34Å; T258-R261 PolarHBondContact O-N 2.91Å; T258-R261 VanDerWaalsContact O-N 3.1Å; T258-V262 HydrophobicContact CG2-CG2 4.18Å; T258-V262 WeakPolarHBondContact O-CB 3.34Å; T258-V262 WeakPolarHBondContact O-CG2 3.08Å; T258-V262 PolarHBondContact O-N 3.24Å
259G90.3Very high88.9Confident0 Ų059.5 Ų59.50%032%0.318CS..Hα-helixtrans-58.4-38.4176.700000112.9M255 I256 E257 G263M255-G259 PolarHBondContact O-N 3Å; I256-G259 PolarHBondContact O-N 2.94Å; E257-G259 PolarHBondContact O-N 2.94Å; G259-G263 PolarHBondContact O-N 3.17Å
260K91.2Very high88.7Confident87 Ų8755.3 Ų55.338%0.37829%0.29SS..Hα-helixtrans-67.2-41.9174.7-177.7178.7176.9177.80112.3G234 I256 E257 T258 K264G234-K260 VanDerWaalsContact O-CE 3.24Å; G234-K260 WeakPolarHBondContact O-CE 3.36Å; I256-K260 WeakPolarHBondContact O-CB 3.47Å; I256-K260 PolarHBondContact O-N 2.85Å; E257-K260 WeakPolarHBondContact O-CB 3.28Å; E257-K260 PolarHBondContact O-N 2.89Å; T258-K260 VanDerWaalsContact C-N 3.28Å; T258-K260 PolarHBondContact O-N 2.85Å; K260-K264 WeakPolarHBondContact O-CB 3.44Å; K260-K264 VanDerWaalsContact O-CG 3.32Å; K260-K264 WeakPolarHBondContact O-CG 3.31Å; K260-K264 PolarHBondContact O-N 3.24Å; K260-K264 VanDerWaalsContact O-N 3.08Å
261R90.9Very high88.5Confident122 Ų12249.7 Ų49.746%0.4626%0.264SS..Hα-helixtrans-63.1-50.3178.2-172.7-174.4-57.8130.74.6110.7E30 E257 T258 K264 A265E30-R261 IonicContact OE1-NH1 2.67Å; E30-R261 PolarHBondContact OE1-NH1 3Å; E257-R261 PolarHBondContact O-N 2.81Å; E257-R261 IonicContact OE1-NH2 3.55Å; E257-R261 PolarHBondContact OE1-NH2 2.85Å; T258-R261 WeakPolarHBondContact O-CB 3.34Å; T258-R261 PolarHBondContact O-N 2.91Å; T258-R261 VanDerWaalsContact O-N 3.1Å; R261-K264 PolarHBondContact O-N 2.69Å; R261-A265 PolarHBondContact O-N 3.27Å
262V89.9Confident88.4Confident13 Ų1355 Ų558%0.07929%0.285CS..Hα-helixtrans-61.9-49.3178.2166.70000111.5Y32 V201 V212 T258 K264 A265 L266Y32-V262 HydrophobicContact CD2-CG1 4.41Å; Y32-V262 HydrophobicContact CE2-CG1 3.39Å; V201-V262 HydrophobicContact CG1-CB 4.34Å; V201-V262 HydrophobicContact CG1-CG1 3.81Å; V201-V262 HydrophobicContact CG2-CG1 3.9Å; V212-V262 HydrophobicContact CG1-CG1 4.28Å; V212-V262 HydrophobicContact CG2-CG2 4.31Å; T258-V262 HydrophobicContact CG2-CG2 4.18Å; T258-V262 WeakPolarHBondContact O-CB 3.34Å; T258-V262 WeakPolarHBondContact O-CG2 3.08Å; T258-V262 PolarHBondContact O-N 3.24Å; V262-K264 VanDerWaalsContact C-N 3.27Å; V262-K264 PolarHBondContact O-N 3.01Å; V262-A265 WeakPolarHBondContact O-CA 3.15Å; V262-A265 WeakPolarHBondContact O-CB 3.32Å; V262-A265 PolarHBondContact O-N 3.11Å; V262-L266 PolarHBondContact O-N 3.27Å
263G87.2Confident88.2Confident0 Ų055.8 Ų55.80%029%0.289CS..Hα-helixtrans-59.1-40.1179.200000112G259 A265 L266 H267G259-G263 PolarHBondContact O-N 3.17Å; G263-A265 VanDerWaalsContact C-N 3.33Å; G263-A265 PolarHBondContact O-N 2.9Å; G263-L266 PolarHBondContact O-N 2.99Å; G263-H267 PolarHBondContact O-CD2 3.21Å; G263-H267 PolarHBondContact O-N 3.04Å
264K88.3Confident87.8Confident90 Ų9051.7 Ų51.739%0.39126%0.261SS..Hα-helixtrans-65.6-33.4173.1-77.5-174.5177.9-161.90113.4G234 K260 R261 V262 P268G234-K264 VanDerWaalsContact CA-CE 3.45Å; K260-K264 WeakPolarHBondContact O-CB 3.44Å; K260-K264 VanDerWaalsContact O-CG 3.32Å; K260-K264 WeakPolarHBondContact O-CG 3.31Å; K260-K264 PolarHBondContact O-N 3.24Å; K260-K264 VanDerWaalsContact O-N 3.08Å; R261-K264 PolarHBondContact O-N 2.69Å; V262-K264 VanDerWaalsContact C-N 3.27Å; V262-K264 PolarHBondContact O-N 3.01Å; K264-P268 WeakPolarHBondContact O-CD 3.49Å; K264-P268 WeakPolarHBondContact O-CG 3.39Å
265A87.7Confident87.5Confident65 Ų6552.4 Ų52.454%0.53727%0.265SS..Hα-helixtrans-73.1-29.7177.500000112.3R261 V262 G263 P269R261-A265 PolarHBondContact O-N 3.27Å; V262-A265 WeakPolarHBondContact O-CA 3.15Å; V262-A265 WeakPolarHBondContact O-CB 3.32Å; V262-A265 PolarHBondContact O-N 3.11Å; G263-A265 VanDerWaalsContact C-N 3.33Å; G263-A265 PolarHBondContact O-N 2.9Å; A265-P269 WeakPolarHBondContact O-CD 3.4Å; A265-P269 VanDerWaalsContact O-CG 3.29Å; A265-P269 WeakPolarHBondContact O-CG 3.11Å
266L84.8Confident87.2Confident26 Ų2656.5 Ų56.514%0.13628%0.284CS..Hα-helixtrans-79.3-33.1-176.8-162.4145000113.3Y32 V154 C199 V262 G263 P269 L270Y32-L266 HydrophobicContact CE1-CD1 4.34Å; Y32-L266 HydrophobicContact CE2-CD1 4.45Å; V154-L266 HydrophobicContact CG2-CD2 3.71Å; C199-L266 HydrophobicContact CB-CD2 4.21Å; V262-L266 PolarHBondContact O-N 3.27Å; G263-L266 PolarHBondContact O-N 2.99Å; L266-P269 WeakPolarHBondContact O-CD 3.15Å; L266-P269 WeakPolarHBondContact O-CG 3.49Å; L266-L270 WeakPolarHBondContact O-CB 3.13Å; L266-L270 PolarHBondContact O-N 2.99Å
267H84.4Confident86.5Confident5 Ų555.5 Ų55.52%0.02328%0.278CS..Hα-helixtrans-62.8-50.3-178.5-80.6-63.4000115K157 V197 C199 V230 H232 G263 L270 M271K157-H267 PolarHBondContact NZ-CE1 3.49Å; K157-H267 PolarHBondContact NZ-ND1 3.35Å; V197-H267 PolarHBondContact O-CE1 2.79Å; V197-H267 VanDerWaalsContact O-CE1 3.24Å; C199-H267 PolarHBondContact SG-CE1 2.86Å; V230-H267 PolarHBondContact O-NE2 2.69Å; H232-H267 HydrophobicContact CB-CB 4.35Å; G263-H267 PolarHBondContact O-CD2 3.21Å; G263-H267 PolarHBondContact O-N 3.04Å; H267-L270 PolarHBondContact O-N 3.32Å; H267-M271 WeakPolarHBondContact O-CG 3.44Å; H267-M271 PolarHBondContact O-N 2.81Å
268P85.2Confident85.8Confident80 Ų8054 Ų5452%0.51927%0.271SS..Hα-helixtrans-60.4-48.2-177.8-21.431000115.3K264 L270 M271 K272K264-P268 WeakPolarHBondContact O-CD 3.49Å; K264-P268 WeakPolarHBondContact O-CG 3.39Å; P268-L270 VanDerWaalsContact C-N 3.31Å; P268-L270 PolarHBondContact O-N 3.34Å; P268-M271 PolarHBondContact O-N 3.48Å; P268-K272 WeakPolarHBondContact O-CB 3.33Å; P268-K272 PolarHBondContact O-N 2.98Å
269P85.9Confident85.1Confident66 Ų6658.2 Ų58.243%0.42930%0.301SS..Hα-helixtrans-65.3-37178.823.4-29.8000111.3A265 L266 K272 L273A265-P269 WeakPolarHBondContact O-CD 3.4Å; A265-P269 VanDerWaalsContact O-CG 3.29Å; A265-P269 WeakPolarHBondContact O-CG 3.11Å; L266-P269 WeakPolarHBondContact O-CD 3.15Å; L266-P269 WeakPolarHBondContact O-CG 3.49Å; P269-K272 PolarHBondContact O-N 2.98Å; P269-L273 WeakPolarHBondContact O-CB 3.45Å; P269-L273 VanDerWaalsContact O-CG 3.28Å; P269-L273 WeakPolarHBondContact O-CG 3.44Å; P269-L273 PolarHBondContact O-N 3.03Å
270L84.3Confident84.4Confident8 Ų862.3 Ų62.34%0.04232%0.322CS..Hα-helixtrans-61.2-50174.9-178.463.8000111.6V37 V154 K157 L266 H267 P268 K272 L273 L274V37-L270 HydrophobicContact CG2-CD1 4.09Å; V154-L270 HydrophobicContact CG1-CD1 3.62Å; V154-L270 HydrophobicContact CG1-CD2 3.9Å; V154-L270 HydrophobicContact CG1-CG 4.41Å; K157-L270 HydrophobicContact CB-CD2 4.47Å; K157-L270 HydrophobicContact CD-CD2 3.84Å; K157-L270 HydrophobicContact CG-CD2 4.2Å; L266-L270 WeakPolarHBondContact O-CB 3.13Å; L266-L270 PolarHBondContact O-N 2.99Å; H267-L270 PolarHBondContact O-N 3.32Å; P268-L270 VanDerWaalsContact C-N 3.31Å; P268-L270 PolarHBondContact O-N 3.34Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.25Å; L270-L273 PolarHBondContact O-N 2.86Å; L270-L274 HydrophobicContact CD1-CD1 4.34Å; L270-L274 HydrophobicContact CD1-CG 4.44Å; L270-L274 HydrophobicContact CG-CD1 4.11Å; L270-L274 VanDerWaalsContact O-CG 3.27Å; L270-L274 WeakPolarHBondContact O-CG 3.33Å; L270-L274 PolarHBondContact O-N 2.79Å
271M84.1Confident83.4Confident37 Ų3760.3 Ų60.318%0.18233%0.327CS..Hα-helixtrans-62-39177.9-69.2-64.5-72.600111.9V194 H267 P268 L274 Q275V194-M271 HydrophobicContact CG2-CE 4.3Å; V194-M271 HydrophobicContact CG2-SD 4.29Å; H267-M271 WeakPolarHBondContact O-CG 3.44Å; H267-M271 PolarHBondContact O-N 2.81Å; P268-M271 PolarHBondContact O-N 3.48Å; M271-L274 PolarHBondContact O-N 2.91Å; M271-Q275 WeakPolarHBondContact O-CB 3.36Å; M271-Q275 VanDerWaalsContact O-CG 3.29Å; M271-Q275 WeakPolarHBondContact O-CG 3.36Å; M271-Q275 PolarHBondContact O-N 3.14Å
272K86.6Confident81.9Confident129 Ų12963.5 Ų63.556%0.56134%0.344SS*.Hα-helixtrans-64.6-42.8176.8-173.6179.1179.4-177.30111.7P268 P269 L270 Q276P268-K272 WeakPolarHBondContact O-CB 3.33Å; P268-K272 PolarHBondContact O-N 2.98Å; P269-K272 PolarHBondContact O-N 2.98Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.25Å; K272-Q276 WeakPolarHBondContact O-CB 3.49Å; K272-Q276 WeakPolarHBondContact O-CG 3.42Å; K272-Q276 PolarHBondContact O-N 3.45Å
273L84.6Confident80.5Confident77 Ų7772.2 Ų72.240%0.40338%0.381SS..Hα-helixtrans-61.8-48.1175.8-74.9169.3000110.6P269 L270 Q275 Q276 E277P269-L273 WeakPolarHBondContact O-CB 3.45Å; P269-L273 VanDerWaalsContact O-CG 3.28Å; P269-L273 WeakPolarHBondContact O-CG 3.44Å; P269-L273 PolarHBondContact O-N 3.03Å; L270-L273 PolarHBondContact O-N 2.86Å; L273-Q275 PolarHBondContact O-N 2.89Å; L273-Q276 WeakPolarHBondContact O-CB 3.5Å; L273-Q276 PolarHBondContact O-N 2.86Å; L273-Q276 VanDerWaalsContact O-N 3.17Å; L273-E277 WeakPolarHBondContact O-CG 3.42Å; L273-E277 PolarHBondContact O-N 3.04Å
274L82.9Confident79.5Confident2 Ų277.3 Ų77.31%0.0140%0.4CS..Hα-helixtrans-60.5-43.3179-68.4172.9000112.5T39 A158 F161 L270 M271 E277 E278T39-L274 HydrophobicContact CG2-CD2 3.5Å; A158-L274 HydrophobicContact CB-CD2 3.91Å; F161-L274 HydrophobicContact CB-CD1 4.06Å; F161-L274 HydrophobicContact CD1-CB 3.73Å; F161-L274 HydrophobicContact CD1-CD1 4.22Å; F161-L274 HydrophobicContact CD1-CD2 4.12Å; F161-L274 HydrophobicContact CD1-CG 4.24Å; F161-L274 HydrophobicContact CE1-CB 3.72Å; F161-L274 HydrophobicContact CG-CB 4.29Å; F161-L274 HydrophobicContact CG-CD1 4.05Å; F161-L274 HydrophobicContact CZ-CB 4.26Å; L270-L274 HydrophobicContact CD1-CD1 4.34Å; L270-L274 HydrophobicContact CD1-CG 4.44Å; L270-L274 HydrophobicContact CG-CD1 4.11Å; L270-L274 VanDerWaalsContact O-CG 3.27Å; L270-L274 WeakPolarHBondContact O-CG 3.33Å; L270-L274 PolarHBondContact O-N 2.79Å; M271-L274 PolarHBondContact O-N 2.91Å; L274-E277 PolarHBondContact O-N 3.24Å; L274-E278 PolarHBondContact O-N 2.89Å
275Q84.7Confident78.3Confident116 Ų11680.9 Ų80.954%0.54242%0.418SS..Hα-helixtrans-66.1-38.9175.2-73.4175.1-6.800112.5M271 L273 E278 S279M271-Q275 WeakPolarHBondContact O-CB 3.36Å; M271-Q275 VanDerWaalsContact O-CG 3.29Å; M271-Q275 WeakPolarHBondContact O-CG 3.36Å; M271-Q275 PolarHBondContact O-N 3.14Å; L273-Q275 PolarHBondContact O-N 2.89Å; Q275-E278 PolarHBondContact O-N 3.08Å; Q275-S279 PolarHBondContact O-N 3.21Å
276Q84Confident77.2Confident86 Ų8684.4 Ų84.440%0.40242%0.421SS..Hα-helixtrans-62.4-49.4174.1-77.2175.7-16.200110.1K272 L273 E278 S279 L280K272-Q276 WeakPolarHBondContact O-CB 3.49Å; K272-Q276 WeakPolarHBondContact O-CG 3.42Å; K272-Q276 PolarHBondContact O-N 3.45Å; L273-Q276 WeakPolarHBondContact O-CB 3.5Å; L273-Q276 PolarHBondContact O-N 2.86Å; L273-Q276 VanDerWaalsContact O-N 3.17Å; Q276-E278 VanDerWaalsContact C-N 3.29Å; Q276-E278 PolarHBondContact O-N 3.02Å; Q276-S279 PolarHBondContact O-N 3.07Å; Q276-S279 PolarHBondContact O-OG 3.18Å; Q276-L280 HydrophobicContact CB-CD1 4.47Å; Q276-L280 WeakPolarHBondContact O-CD1 3.37Å; Q276-L280 PolarHBondContact O-N 3.24Å
277E76.9Confident76.2Confident28 Ų2886 Ų8613%0.13143%0.432CS..Hα-helixtrans-55.8-43.5176.9-71.4-161.7135.900112.3T39 L273 L274 S279 L280 G281 R284T39-E277 WeakPolarHBondContact CB-OE2 3.38Å; T39-E277 WeakPolarHBondContact CG2-OE2 3.48Å; T39-E277 PolarHBondContact N-OE2 2.83Å; T39-E277 PolarHBondContact OG1-OE2 2.87Å; L273-E277 WeakPolarHBondContact O-CG 3.42Å; L273-E277 PolarHBondContact O-N 3.04Å; L274-E277 PolarHBondContact O-N 3.24Å; E277-S279 VanDerWaalsContact C-N 3.34Å; E277-S279 PolarHBondContact O-N 2.92Å; E277-L280 PolarHBondContact O-N 3.26Å; E277-G281 PolarHBondContact O-N 3.2Å; E277-R284 IonicContact OE1-CZ 3.5Å; E277-R284 IonicContact OE1-NH1 3.58Å; E277-R284 PolarHBondContact OE1-NH1 3.03Å; E277-R284 IonicContact OE1-NH2 3.39Å
278E76.6Confident74.8Confident89 Ų8986.3 Ų86.342%0.41644%0.437SS..Hα-helixtrans-60.6-43175.3-171178.7165.800112.2F161 R191 L274 Q275 Q276 L280 G281F161-E278 WeakPolarHBondContact CZ-OE2 3.35Å; R191-E278 IonicContact CZ-OE1 2.69Å; R191-E278 VanDerWaalsContact CZ-OE1 3.23Å; R191-E278 IonicContact NH1-OE1 2.79Å; R191-E278 PolarHBondContact NH1-OE1 2.88Å; R191-E278 IonicContact NH1-OE2 2.7Å; R191-E278 PolarHBondContact NH1-OE2 2.79Å; R191-E278 IonicContact NH2-OE1 3.61Å; R191-E278 PolarHBondContact NH2-OE1 2.88Å; L274-E278 PolarHBondContact O-N 2.89Å; Q275-E278 PolarHBondContact O-N 3.08Å; Q276-E278 VanDerWaalsContact C-N 3.29Å; Q276-E278 PolarHBondContact O-N 3.02Å; E278-L280 VanDerWaalsContact C-N 3.3Å; E278-L280 PolarHBondContact O-N 3.21Å; E278-G281 PolarHBondContact O-N 3.04Å; E278-G281 VanDerWaalsContact O-N 3.16Å
279S77.4Confident73.5Confident97 Ų9788.8 Ų88.868%0.67844%0.439SS*.Hα-helixtrans-66.1-31.2178.975.70000113.3Q275 Q276 E277Q275-S279 PolarHBondContact O-N 3.21Å; Q276-S279 PolarHBondContact O-N 3.07Å; Q276-S279 PolarHBondContact O-OG 3.18Å; E277-S279 VanDerWaalsContact C-N 3.34Å; E277-S279 PolarHBondContact O-N 2.92Å
280L74.8Confident71.8Confident86 Ų8692.5 Ų92.545%0.4546%0.455SS..Hα-helixtrans-74.3-31.4174.3-82.194.2000111.5Q276 E277 E278 K282 K283Q276-L280 HydrophobicContact CB-CD1 4.47Å; Q276-L280 WeakPolarHBondContact O-CD1 3.37Å; Q276-L280 PolarHBondContact O-N 3.24Å; E277-L280 PolarHBondContact O-N 3.26Å; E278-L280 VanDerWaalsContact C-N 3.3Å; E278-L280 PolarHBondContact O-N 3.21Å; L280-K282 PolarHBondContact O-N 3.16Å; L280-K283 WeakPolarHBondContact O-CB 3.45Å; L280-K283 PolarHBondContact O-N 3.07Å
281G69.3Low69.8Low45 Ų4599.5 Ų99.546%0.46453%0.528SS..G310 helixtrans45.7-124.9170.100000113.7E277 E278 K283E277-G281 PolarHBondContact O-N 3.2Å; E278-G281 PolarHBondContact O-N 3.04Å; E278-G281 VanDerWaalsContact O-N 3.16Å; G281-K283 PolarHBondContact O-N 2.97Å
282K60.5Low69Low188 Ų188102.6 Ų102.682%0.81755%0.546SS*.G310 helixtrans-71.6-6.5-177.6-64.2-178.9-178.7178.30114.9L280L280-K282 PolarHBondContact O-N 3.16Å
283K60.3Low68.1Low197 Ų197101.2 Ų101.286%0.85755%0.545SS*.G310 helixtrans-81.7-16.7-179.1-68.3-179.8178.5174.90113L280 G281L280-K283 WeakPolarHBondContact O-CB 3.45Å; L280-K283 PolarHBondContact O-N 3.07Å; G281-K283 PolarHBondContact O-N 2.97Å
284R66.1Low67.2Low106 Ų106102.6 Ų102.640%0.455%0.553SS.*SBendtrans-86.4129.7177.9-174169.1178.6177.6-7.1109.9E277 K286E277-R284 IonicContact OE1-CZ 3.5Å; E277-R284 IonicContact OE1-NH1 3.58Å; E277-R284 PolarHBondContact OE1-NH1 3.03Å; E277-R284 IonicContact OE1-NH2 3.39Å; R284-K286 PolarHBondContact O-N 3.09Å
285Q63.2Low66.3Low166 Ų166108.5 Ų108.578%0.77659%0.585SS**  trans-68.8123.5164-73.8-177.3-1200108.1V287Q285-V287 HydrophobicContact CB-CG1 4.43Å; Q285-V287 PolarHBondContact O-N 3.45Å
286K65.1Low65.1Low138 Ų138108 Ų10860%0.659%0.587SS**  trans-70.2100.5176.2-58-175.9-172.5-174.20108D40 R284D40-K286 VanDerWaalsContact OD1-CE 3.3Å; D40-K286 WeakPolarHBondContact OD1-CE 3.23Å; D40-K286 IonicContact OD1-NZ 3.83Å; D40-K286 PolarHBondContact OD1-NZ 2.66Å; R284-K286 PolarHBondContact O-N 3.09Å
287V62.6Low63.9Low60 Ų60109.5 Ų109.536%0.36460%0.6SS.*  trans-102.146.4-179.4-71.40000110.8Q285 F289Q285-V287 HydrophobicContact CB-CG1 4.43Å; Q285-V287 PolarHBondContact O-N 3.45Å; V287-F289 PolarHBondContact O-N 3.06Å
288G56.1Low62.9Low12 Ų12115.3 Ų115.312%0.12463%0.633CS.*SBendtrans-62.5-15-170.900000115.7K50K50-G288 PolarHBondContact NZ-O 3.01Å
289F58.3Low61.9Low132 Ų132117.3 Ų117.358%0.57965%0.65SS**SBendtrans-150.97.9179-68.8-76.7000114.2V41 K50 L142 V287V41-F289 HydrophobicContact CG1-CD2 4.09Å; V41-F289 HydrophobicContact CG1-CE2 3.39Å; V41-F289 HydrophobicContact CG1-CZ 4.07Å; K50-F289 HydrophobicContact CD-CE1 4.3Å; K50-F289 HydrophobicContact CD-CZ 4.36Å; L142-F289 HydrophobicContact CD1-CE1 4.27Å; V287-F289 PolarHBondContact O-N 3.06Å
290L49.8Very low60.6Low144 Ų144119 Ų11975%0.75465%0.648SS**  trans-113.993.3-175.8-68.3168.8000108.3
291G41.2Very low59.3Low154 Ų154122 Ų122100%1.58867%0.666SS**  trans-99.90164.200000110.5

Retrieved 291 of 291 residues in 597.2 ms (Link to these results)