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Protein phosphatase 1A

Enzyme with a broad specificity. Negatively regulates TGF-beta signaling through dephosphorylating SMAD2 and SMAD3, resulting in their dissociation from SMAD4, nuclear export of the SMADs and termination of the TGF-beta-mediated signaling. Dephosphorylates PRKAA1 and PRKAA2. Plays an important role in the termination of TNF-mediated NF-kappa-B activation through dephosphorylating and inactivating IKBKB/IKKB.

AlphaFold DB , UniProt , Accession P35813, Species HUMAN (Homo sapiens, Human), Gene PPM1A, Length 382 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
1M50.5Low89.5Confident245 Ų245106.8 Ų106.8100%1.20756%0.562SS**  0140.90-85.9175.6-106.200107.2
2G72.8Confident90.3Very high63 Ų63101.6 Ų101.665%0.64953%0.531SS*.  trans-62.9160.7-178.200000111.9F4G2-F4 PolarHBondContact O-N 2.95Å
3A85.8Confident90.9Very high49 Ų49102.4 Ų102.441%0.40553%0.53SS..SBendtrans-79.8-0.4-175.100000114.3R33 V34A3-R33 WeakPolarHBondContact O-CA 3.48Å; A3-R33 PolarHBondContact O-NH1 3.34Å; A3-V34 PolarHBondContact O-N 3.21Å
4F94.9Very high91.5Very high91 Ų9198.6 Ų98.640%0.39951%0.511SS..EExtended strand (participates in β ladder)trans-119145.3-173-58.9-63.9000112.7G2 W32 R281G2-F4 PolarHBondContact O-N 2.95Å; F4-W32 CarbonylContact C-O 3.6Å; F4-W32 WeakPolarHBondContact CA-O 3.47Å; F4-W32 HydrophobicContact CD1-CB 4.05Å; F4-R281 HydrophobicContact CD1-CB 4.33Å; F4-R281 HydrophobicContact CE1-CB 3.7Å; F4-R281 HydrophobicContact CZ-CB 4.33Å
5L96.2Very high92Very high48 Ų4894 Ų9425%0.25149%0.493SS..EExtended strand (participates in β ladder)trans-79.6161.6170.1-61.9171.5000111.3K7 K9 W32 R33 V34L5-K7 VanDerWaalsContact CB-O 3.29Å; L5-K7 WeakPolarHBondContact CB-O 3.3Å; L5-K9 HydrophobicContact CD1-CB 4.43Å; L5-K9 HydrophobicContact CD1-CD 4.26Å; L5-K9 HydrophobicContact CD1-CG 4.06Å; L5-W32 PolarHBondContact N-O 3.45Å; L5-R33 VanDerWaalsContact CD1-O 3.27Å; L5-R33 WeakPolarHBondContact CD1-O 3.43Å; L5-R33 WeakPolarHBondContact CG-O 3.49Å; L5-V34 HydrophobicContact CD2-CB 4.48Å; L5-V34 HydrophobicContact CD2-CG2 4.12Å; L5-V34 HydrophobicContact CG-CG2 4.45Å
6D95.6Very high92.4Very high162 Ų16294.9 Ų94.987%0.86649%0.494SS*.EExtended strand (participates in β ladder)trans-71.3-31.6174-59.3-37.9000112.7
7K95.9Very high92.7Very high132 Ų13290.9 Ų90.957%0.57448%0.481SS*.EExtended strand (participates in β ladder)trans-136.2143.2173-68.6179.8-180173.80108.9L5 T373L5-K7 VanDerWaalsContact CB-O 3.29Å; L5-K7 WeakPolarHBondContact CB-O 3.3Å; K7-T373 PolarHBondContact NZ-OG1 2.89Å
8P97.8Very high93.1Very high24 Ų2494.6 Ų94.616%0.15650%0.495CS..EExtended strand (participates in β ladder)trans-70.1140.8-178.929.7-33.4000110.6M10 G31 W32 L276P8-M10 HydrophobicContact CG-CE 4Å; P8-M10 HydrophobicContact CG-CG 4.35Å; P8-M10 PolarHBondContact O-N 3.16Å; P8-G31 CarbonylContact C-O 3.58Å; P8-G31 VanDerWaalsContact CA-O 3.23Å; P8-G31 WeakPolarHBondContact CA-O 3.4Å; P8-W32 HydrophobicContact CB-CD2 3.88Å; P8-W32 HydrophobicContact CB-CE3 4.41Å; P8-W32 HydrophobicContact CB-CG 4.02Å; P8-W32 HydrophobicContact CB-CZ2 4.46Å; P8-W32 HydrophobicContact CG-CD2 4.26Å; P8-W32 HydrophobicContact CG-CH2 4.39Å; P8-W32 HydrophobicContact CG-CZ2 3.94Å; P8-L276 HydrophobicContact CB-CD1 4.16Å; P8-L276 HydrophobicContact CG-CD2 4.47Å
9K98.3Very high93.4Very high109 Ų10991.1 Ų91.147%0.47448%0.484SS..EExtended strand (participates in β ladder)trans-77.8105.3167.7-87.5179.4174.6177.60109.4L5 M29 Q30 G31L5-K9 HydrophobicContact CD1-CB 4.43Å; L5-K9 HydrophobicContact CD1-CD 4.26Å; L5-K9 HydrophobicContact CD1-CG 4.06Å; K9-M29 VanDerWaalsContact O-CG 3.3Å; K9-M29 WeakPolarHBondContact O-CG 3.45Å; K9-Q30 HydrophobicContact CB-CB 4.13Å; K9-Q30 HydrophobicContact CD-CG 4.45Å; K9-Q30 VanDerWaalsContact CD-OE1 3.29Å; K9-G31 PolarHBondContact N-O 3.02Å; K9-G31 PolarHBondContact O-N 2.76Å; K9-G31 VanDerWaalsContact O-N 3.1Å
10M98.3Very high93.6Very high83 Ų8389.8 Ų89.841%0.40948%0.477SS..  trans-88.62-176.7-55.9-167.1-149.200114.5P8 K12 M29 L276P8-M10 HydrophobicContact CG-CE 4Å; P8-M10 HydrophobicContact CG-CG 4.35Å; P8-M10 PolarHBondContact O-N 3.16Å; M10-K12 PolarHBondContact O-N 2.83Å; M10-K12 PolarHBondContact O-NZ 3.49Å; M10-M29 HydrophobicContact CB-SD 4.4Å; M10-L276 HydrophobicContact CG-CD2 4.27Å; M10-L276 HydrophobicContact SD-CD2 4.42Å
11E98.6Very high93.9Very high169 Ų16988 Ų8879%0.7948%0.48SS*.  trans-58.3133.3177.5-174.9176.4-177.900110.7
12K98.6Very high96.2Very high44 Ų4476.4 Ų76.419%0.19142%0.423CS..  trans-104128.4-179.3-58.3-65.1-171.5-70.90109.4M10 M29 N269 V272 D273M10-K12 PolarHBondContact O-N 2.83Å; M10-K12 PolarHBondContact O-NZ 3.49Å; K12-M29 HydrophobicContact CD-CB 4.13Å; K12-M29 HydrophobicContact CD-CG 4.39Å; K12-M29 HydrophobicContact CD-SD 4.22Å; K12-M29 PolarHBondContact NZ-SD 3.12Å; K12-N269 WeakPolarHBondContact CB-OD1 3.33Å; K12-N269 WeakPolarHBondContact CD-OD1 3.44Å; K12-N269 WeakPolarHBondContact CG-OD1 3.26Å; K12-V272 HydrophobicContact CD-CG1 4.32Å; K12-D273 VanDerWaalsContact CE-OD1 3.23Å; K12-D273 WeakPolarHBondContact CE-OD1 3.33Å; K12-D273 IonicContact NZ-OD1 3.76Å; K12-D273 PolarHBondContact NZ-OD1 3.05Å; K12-D273 IonicContact NZ-OD2 3.37Å
13H98.7Very high97.4Very high112 Ų11277.5 Ų77.552%0.51941%0.408SS..EExtended strand (participates in β ladder)trans-100.7112.3164.6-177.377.3000108.6S27 S28 H40H13-S27 WeakPolarHBondContact O-CA 3.42Å; H13-S28 PolarHBondContact N-O 3.43Å; H13-S28 PolarHBondContact O-N 3.11Å; H13-H40 AromaticContact CD2-CE1 3.86Å
14N98.8Very high98Very high49 Ų4976.6 Ų76.626%0.26239%0.394SS..EExtended strand (participates in β ladder)trans-113150.7-174.8-66.6-49.5000111.4L26 S27 E265 N269N14-L26 WeakPolarHBondContact CA-O 3.22Å; N14-L26 PolarHBondContact OD1-O 3.32Å; N14-L26 VanDerWaalsContact OD1-O 3.14Å; N14-S27 WeakPolarHBondContact OD1-CA 3.22Å; N14-S27 VanDerWaalsContact OD1-CB 3.29Å; N14-S27 WeakPolarHBondContact OD1-CB 3.43Å; N14-E265 HydrophobicContact CB-CB 4.18Å; N14-E265 HydrophobicContact CB-CG 4.07Å; N14-N269 PolarHBondContact ND2-ND2 3.25Å; N14-N269 VanDerWaalsContact ND2-ND2 3.14Å; N14-N269 PolarHBondContact ND2-OD1 3.4Å; N14-N269 PolarHBondContact OD1-OD1 3.46Å
15A98.6Very high98.2Very high30 Ų3072.2 Ų72.225%0.24838%0.375CS..EExtended strand (participates in β ladder)trans-148.6154.8164.400000110.1G25 L26 E265A15-G25 CarbonylContact O-C 3.58Å; A15-G25 WeakPolarHBondContact O-CA 3.4Å; A15-L26 HydrophobicContact CB-CD1 4.07Å; A15-L26 HydrophobicContact CB-CD2 4.09Å; A15-L26 HydrophobicContact CB-CG 3.94Å; A15-L26 PolarHBondContact N-O 3.21Å; A15-L26 PolarHBondContact O-N 3.11Å; A15-E265 WeakPolarHBondContact CA-OE1 3.11Å; A15-E265 PolarHBondContact N-OE1 3.36Å
16Q98.6Very high98.3Very high109 Ų10970 Ų7051%0.50936%0.364SS..EExtended strand (participates in β ladder)trans-146.4160.717660.7-179.8-14.700111.5Y24 E265Q16-Y24 VanDerWaalsContact CA-O 3.26Å; Q16-Y24 WeakPolarHBondContact CA-O 3.36Å; Q16-Y24 VanDerWaalsContact CB-O 3.28Å; Q16-Y24 WeakPolarHBondContact CB-O 3.42Å; Q16-E265 HydrophobicContact CB-CG 3.82Å; Q16-E265 HydrophobicContact CG-CG 4.14Å; Q16-E265 WeakPolarHBondContact CG-OE1 3.36Å; Q16-E265 PolarHBondContact N-OE1 3.48Å
17G98.7Very high98.5Very high26 Ų2662.4 Ų62.427%0.26832%0.323SS..EExtended strand (participates in β ladder)trans-169.7173176.300000112.8R23 Y24G17-R23 WeakPolarHBondContact O-CA 3.24Å; G17-Y24 VanDerWaalsContact N-CE1 3.32Å; G17-Y24 PolarHBondContact N-O 3.3Å; G17-Y24 VanDerWaalsContact N-O 3.13Å; G17-Y24 WeakPolarHBondContact O-CD1 3.26Å; G17-Y24 PolarHBondContact O-N 3.29Å
18Q98.7Very high98.6Very high158 Ų15856.6 Ų56.674%0.73830%0.299SS*.EExtended strand (participates in β ladder)trans-151.3150.7-177.659.3174.664.400111.8L22 R23Q18-L22 VanDerWaalsContact CA-O 3.29Å; Q18-L22 WeakPolarHBondContact CA-O 3.41Å; Q18-R23 HydrophobicContact CB-CG 4.12Å
19G98.6Very high98.7Very high28 Ų2855.5 Ų55.529%0.28929%0.291SS..EExtended strand (participates in β ladder)trans154.1167.2177.500000111G21 L22 I44G19-G21 PolarHBondContact O-N 3.47Å; G19-G21 VanDerWaalsContact O-N 3.08Å; G19-L22 PolarHBondContact N-O 3.47Å; G19-L22 WeakPolarHBondContact O-CA 3.33Å; G19-L22 WeakPolarHBondContact O-CB 3.29Å; G19-L22 PolarHBondContact O-N 3.13Å; G19-I44 VanDerWaalsContact C-CG2 3.5Å
20N98.6Very high98.7Very high64 Ų6451.6 Ų51.634%0.34228%0.275SS..THydrogen-bonded Turntrans53.228.9-176.7-65.6-17.9000114.6L22 I44 E51 W53N20-L22 PolarHBondContact O-N 3.42Å; N20-I44 HydrophobicContact CB-CG2 4.03Å; N20-E51 PolarHBondContact ND2-O 3.04Å; N20-E51 PolarHBondContact OD1-O 3.45Å; N20-W53 PolarHBondContact ND2-O 3Å
21G98.4Very high98.7Very high52 Ų5247.7 Ų47.754%0.53626%0.256SS..THydrogen-bonded Turntrans76.90.7-174.500000114.6G19 P292G19-G21 PolarHBondContact O-N 3.47Å; G19-G21 VanDerWaalsContact O-N 3.08Å; G21-P292 WeakPolarHBondContact O-CD 3.32Å; G21-P292 VanDerWaalsContact O-CG 3.31Å; G21-P292 WeakPolarHBondContact O-CG 3.38Å
22L98.9Very high98.7Very high3 Ų342.8 Ų42.82%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-102.1153.1-178.5-51.1179.3000111.2Q18 G19 N20 I44 F56 I134 I289 F291Q18-L22 VanDerWaalsContact CA-O 3.29Å; Q18-L22 WeakPolarHBondContact CA-O 3.41Å; G19-L22 PolarHBondContact N-O 3.47Å; G19-L22 WeakPolarHBondContact O-CA 3.33Å; G19-L22 WeakPolarHBondContact O-CB 3.29Å; G19-L22 PolarHBondContact O-N 3.13Å; N20-L22 PolarHBondContact O-N 3.42Å; L22-I44 HydrophobicContact CB-CD1 4.36Å; L22-F56 HydrophobicContact CD1-CE2 4.23Å; L22-I134 HydrophobicContact CD1-CB 4.46Å; L22-I134 HydrophobicContact CD1-CD1 3.87Å; L22-I134 HydrophobicContact CD1-CG2 4.22Å; L22-I289 HydrophobicContact CB-CG2 4.45Å; L22-I289 HydrophobicContact CD1-CG2 4.39Å; L22-F291 HydrophobicContact CD2-CD1 3.52Å; L22-F291 HydrophobicContact CD2-CE1 3.66Å; L22-F291 HydrophobicContact CD2-CG 4.34Å
23R98.9Very high98.7Very high85 Ų8543.5 Ų43.532%0.32123%0.231SC..EExtended strand (participates in β ladder)trans-127.2143.1163.2-64.9171.661.7-137.9-2.6107.8G17 Q18 D262 L264 I289 C290G17-R23 WeakPolarHBondContact O-CA 3.24Å; Q18-R23 HydrophobicContact CB-CG 4.12Å; R23-D262 PolarHBondContact NH2-O 3.45Å; R23-L264 HydrophobicContact CB-CD1 3.75Å; R23-I289 CarbonylContact O-C 3.52Å; R23-C290 PolarHBondContact N-O 2.86Å; R23-C290 PolarHBondContact O-N 3.23Å
24Y98.9Very high98.7Very high30 Ų3040.9 Ų40.912%0.11822%0.224CC..EExtended strand (participates in β ladder)trans-135.3153.4171.177.3-85.9000111.8Q16 G17 L26 A42 I44 F56 L264 L288Q16-Y24 VanDerWaalsContact CA-O 3.26Å; Q16-Y24 WeakPolarHBondContact CA-O 3.36Å; Q16-Y24 VanDerWaalsContact CB-O 3.28Å; Q16-Y24 WeakPolarHBondContact CB-O 3.42Å; G17-Y24 VanDerWaalsContact N-CE1 3.32Å; G17-Y24 PolarHBondContact N-O 3.3Å; G17-Y24 VanDerWaalsContact N-O 3.13Å; G17-Y24 WeakPolarHBondContact O-CD1 3.26Å; G17-Y24 PolarHBondContact O-N 3.29Å; Y24-L26 HydrophobicContact CD2-CD2 4.38Å; Y24-L26 HydrophobicContact CE2-CD2 4.04Å; Y24-A42 HydrophobicContact CD2-CB 4.15Å; Y24-A42 HydrophobicContact CE2-CB 3.57Å; Y24-I44 HydrophobicContact CD1-CD1 3.85Å; Y24-I44 HydrophobicContact CD1-CG1 4.42Å; Y24-I44 HydrophobicContact CE1-CD1 4.06Å; Y24-I44 HydrophobicContact CE1-CG1 4.39Å; Y24-F56 AromaticContact CD1-CE1 3.5Å; Y24-F56 HydrophobicContact CD1-CE1 3.5Å; Y24-F56 VanDerWaalsContact CD1-CE1 3.5Å; Y24-F56 AromaticContact CD1-CZ 3.92Å; Y24-F56 HydrophobicContact CD1-CZ 3.92Å; Y24-F56 HydrophobicContact CD2-CE1 4.09Å; Y24-F56 AromaticContact CE1-CE1 4Å; Y24-F56 HydrophobicContact CE1-CE1 4Å; Y24-F56 HydrophobicContact CG-CD1 4.37Å; Y24-F56 AromaticContact CG-CE1 3.53Å; Y24-F56 HydrophobicContact CG-CE1 3.53Å; Y24-F56 HydrophobicContact CG-CZ 4.22Å; Y24-L264 VanDerWaalsContact C-CD1 3.47Å; Y24-L288 CarbonylContact C-O 3.49Å; Y24-L288 WeakPolarHBondContact CA-O 3.38Å; Y24-L288 WeakPolarHBondContact CB-O 3.32Å
25G98.9Very high98.6Very high0 Ų044.2 Ų44.20%024%0.238CC..EExtended strand (participates in β ladder)trans-132.2155.1161.200000108.5A15 C268 L288A15-G25 CarbonylContact O-C 3.58Å; A15-G25 WeakPolarHBondContact O-CA 3.4Å; G25-C268 PolarHBondContact O-SG 2.88Å; G25-C268 VanDerWaalsContact O-SG 3.4Å; G25-L288 PolarHBondContact N-O 3.03Å; G25-L288 PolarHBondContact O-N 3.45Å
26L98.9Very high98.6Very high2 Ų245.2 Ų45.21%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-142.4155.5173.166.487000110.6N14 A15 Y24 H40 A42 V286 I287N14-L26 WeakPolarHBondContact CA-O 3.22Å; N14-L26 PolarHBondContact OD1-O 3.32Å; N14-L26 VanDerWaalsContact OD1-O 3.14Å; A15-L26 HydrophobicContact CB-CD1 4.07Å; A15-L26 HydrophobicContact CB-CD2 4.09Å; A15-L26 HydrophobicContact CB-CG 3.94Å; A15-L26 PolarHBondContact N-O 3.21Å; A15-L26 PolarHBondContact O-N 3.11Å; Y24-L26 HydrophobicContact CD2-CD2 4.38Å; Y24-L26 HydrophobicContact CE2-CD2 4.04Å; L26-H40 VanDerWaalsContact CD2-CD2 3.44Å; L26-H40 WeakPolarHBondContact CD2-CD2 3.46Å; L26-A42 HydrophobicContact CD2-CB 3.89Å; L26-V286 CarbonylContact C-O 3.53Å; L26-V286 WeakPolarHBondContact CA-O 3.44Å; L26-V286 WeakPolarHBondContact CB-O 3.38Å; L26-I287 HydrophobicContact CB-CB 4.24Å; L26-I287 HydrophobicContact CB-CG1 3.84Å; L26-I287 HydrophobicContact CB-CG2 4.3Å; L26-I287 HydrophobicContact CD2-CG1 4.35Å
27S98.9Very high98.6Very high1 Ų141.3 Ų41.31%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-139.3136.2171.7168.30000109H13 N14 N269 S285 V286H13-S27 WeakPolarHBondContact O-CA 3.42Å; N14-S27 WeakPolarHBondContact OD1-CA 3.22Å; N14-S27 VanDerWaalsContact OD1-CB 3.29Å; N14-S27 WeakPolarHBondContact OD1-CB 3.43Å; S27-N269 PolarHBondContact OG-OD1 2.82Å; S27-S285 WeakPolarHBondContact O-CA 3.45Å; S27-V286 PolarHBondContact N-O 3.43Å; S27-V286 PolarHBondContact O-N 2.66Å
28S98.8Very high98.6Very high10 Ų1040.7 Ų40.77%0.0721%0.21CC..EExtended strand (participates in β ladder)trans-126141.7165.464.90000111.2H13 M284 S285H13-S28 PolarHBondContact N-O 3.43Å; H13-S28 PolarHBondContact O-N 3.11Å; S28-M284 CarbonylContact C-O 3.57Å; S28-M284 VanDerWaalsContact CA-O 3.26Å; S28-M284 WeakPolarHBondContact CA-O 3.3Å; S28-S285 VanDerWaalsContact CB-OG 3.25Å; S28-S285 WeakPolarHBondContact CB-OG 3.38Å
29M98.8Very high98.6Very high1 Ų133.7 Ų33.71%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-142.8136.4-178.2-176-178.273.400111.1K9 M10 K12 V272 L276 M284K9-M29 VanDerWaalsContact O-CG 3.3Å; K9-M29 WeakPolarHBondContact O-CG 3.45Å; M10-M29 HydrophobicContact CB-SD 4.4Å; K12-M29 HydrophobicContact CD-CB 4.13Å; K12-M29 HydrophobicContact CD-CG 4.39Å; K12-M29 HydrophobicContact CD-SD 4.22Å; K12-M29 PolarHBondContact NZ-SD 3.12Å; M29-V272 HydrophobicContact CB-CG1 3.55Å; M29-V272 HydrophobicContact CE-CG1 3.42Å; M29-V272 VanDerWaalsContact CE-CG1 3.42Å; M29-V272 HydrophobicContact CG-CG1 4.23Å; M29-V272 HydrophobicContact SD-CG1 3.73Å; M29-L276 HydrophobicContact CE-CB 3.97Å; M29-L276 HydrophobicContact CE-CD1 4.11Å; M29-L276 HydrophobicContact CE-CD2 3.85Å; M29-L276 HydrophobicContact CE-CG 4.19Å; M29-L276 HydrophobicContact SD-CD2 4.48Å; M29-M284 HydrophobicContact CE-CE 3.32Å; M29-M284 HydrophobicContact CE-SD 4.25Å; M29-M284 PolarHBondContact N-O 3.03Å; M29-M284 PolarHBondContact O-N 3.14Å
30Q98.7Very high98.6Very high28 Ų2834.6 Ų34.613%0.13118%0.175CC..  trans-68.5-37.8179.6-176.3176-27.300112.8K9 R33 V34 M36 N283K9-Q30 HydrophobicContact CB-CB 4.13Å; K9-Q30 HydrophobicContact CD-CG 4.45Å; K9-Q30 VanDerWaalsContact CD-OE1 3.29Å; Q30-R33 PolarHBondContact NE2-O 2.95Å; Q30-V34 PolarHBondContact NE2-O 3.14Å; Q30-M36 HydrophobicContact CB-CB 4.22Å; Q30-M36 HydrophobicContact CB-SD 4.2Å; Q30-M36 HydrophobicContact CG-CB 4.06Å; Q30-N283 PolarHBondContact O-ND2 2.81Å
31G98.5Very high98.6Very high0 Ų032.4 Ų32.40%016%0.164CC..EExtended strand (participates in β ladder)trans66.9-135.4177.100000112.2P8 K9P8-G31 CarbonylContact C-O 3.58Å; P8-G31 VanDerWaalsContact CA-O 3.23Å; P8-G31 WeakPolarHBondContact CA-O 3.4Å; K9-G31 PolarHBondContact N-O 3.02Å; K9-G31 PolarHBondContact O-N 2.76Å; K9-G31 VanDerWaalsContact O-N 3.1Å
32W98.5Very high98.6Very high67 Ų6731.2 Ų31.225%0.25415%0.149SC..EExtended strand (participates in β ladder)trans-82.4-12.8-174.6-72.394.8000114.1F4 L5 P8 L276 R281F4-W32 CarbonylContact C-O 3.6Å; F4-W32 WeakPolarHBondContact CA-O 3.47Å; F4-W32 HydrophobicContact CD1-CB 4.05Å; L5-W32 PolarHBondContact N-O 3.45Å; P8-W32 HydrophobicContact CB-CD2 3.88Å; P8-W32 HydrophobicContact CB-CE3 4.41Å; P8-W32 HydrophobicContact CB-CG 4.02Å; P8-W32 HydrophobicContact CB-CZ2 4.46Å; P8-W32 HydrophobicContact CG-CD2 4.26Å; P8-W32 HydrophobicContact CG-CH2 4.39Å; P8-W32 HydrophobicContact CG-CZ2 3.94Å; W32-L276 VanDerWaalsContact CD1-CD1 3.48Å; W32-R281 HydrophobicContact CB-CB 4.14Å; W32-R281 WeakPolarHBondContact CB-O 3.41Å; W32-R281 HydrophobicContact CG-CB 4.33Å; W32-R281 HydrophobicContact CG-CG 4.47Å
33R98.2Very high98.6Very high58 Ų5833 Ų3322%0.21916%0.161CC..EExtended strand (participates in β ladder)trans-74148.9-175.8-55.4-69.1-99.598.610.9111A3 L5 Q30 E35 R281 D282A3-R33 WeakPolarHBondContact O-CA 3.48Å; A3-R33 PolarHBondContact O-NH1 3.34Å; L5-R33 VanDerWaalsContact CD1-O 3.27Å; L5-R33 WeakPolarHBondContact CD1-O 3.43Å; L5-R33 WeakPolarHBondContact CG-O 3.49Å; Q30-R33 PolarHBondContact NE2-O 2.95Å; R33-E35 VanDerWaalsContact C-N 3.3Å; R33-E35 WeakPolarHBondContact CB-O 3.35Å; R33-R281 WeakPolarHBondContact CD-O 3.42Å; R33-D282 WeakPolarHBondContact CD-OD1 3.49Å; R33-D282 VanDerWaalsContact CG-OD1 3.3Å; R33-D282 WeakPolarHBondContact CG-OD1 3.45Å; R33-D282 IonicContact CZ-OD1 3.5Å; R33-D282 IonicContact NE-OD1 3.9Å; R33-D282 PolarHBondContact NE-OD1 2.97Å; R33-D282 IonicContact NH2-OD1 2.7Å
34V97.9Very high98.6Very high58 Ų5831 Ų3135%0.35216%0.156SC..SBendtrans-66.9-34.9175.7175.60000111.8A3 L5 Q30A3-V34 PolarHBondContact O-N 3.21Å; L5-V34 HydrophobicContact CD2-CB 4.48Å; L5-V34 HydrophobicContact CD2-CG2 4.12Å; L5-V34 HydrophobicContact CG-CG2 4.45Å; Q30-V34 PolarHBondContact NE2-O 3.14Å
35E97.7Very high98.6Very high119 Ų11931 Ų3156%0.55617%0.165SC*.SBendtrans-113.1158.6-179.3-58.6-58.2156.200111.2R33 E37 N283R33-E35 VanDerWaalsContact C-N 3.3Å; R33-E35 WeakPolarHBondContact CB-O 3.35Å; E35-E37 HydrophobicContact CB-CG 4.16Å; E35-N283 PolarHBondContact O-ND2 2.84Å; E35-N283 PolarHBondContact O-OD1 3.09Å
36M98.2Very high98.6Very high51 Ų5131.1 Ų31.125%0.25117%0.165SC..  trans-111.4107.2169.9179.361.9178.400108.3Q30 D38 N283Q30-M36 HydrophobicContact CB-CB 4.22Å; Q30-M36 HydrophobicContact CB-SD 4.2Å; Q30-M36 HydrophobicContact CG-CB 4.06Å; M36-D38 HydrophobicContact CE-CB 3.67Å; M36-D38 HydrophobicContact SD-CB 4.47Å; M36-N283 WeakPolarHBondContact CA-OD1 3.37Å; M36-N283 HydrophobicContact SD-CB 3.99Å
37E98.6Very high98.5Very high26 Ų2634.3 Ų34.312%0.12119%0.186CC..  trans-105-15.2-172.9-57.7-170.713200113.6E35 G61 G64 A68 N283E35-E37 HydrophobicContact CB-CG 4.16Å; E37-G61 WeakPolarHBondContact CB-O 3.22Å; E37-G64 VanDerWaalsContact OE1-CA 3.22Å; E37-G64 WeakPolarHBondContact OE1-CA 3.44Å; E37-G64 PolarHBondContact OE1-N 2.88Å; E37-A68 WeakPolarHBondContact O-CB 3.37Å; E37-N283 PolarHBondContact N-OD1 3.41Å
38D98.8Very high98.2Very high14 Ų1439.2 Ų39.28%0.07522%0.221CC..  trans-67.2152.9177.5-63.3-0.6000113.6M36 Y59 S285M36-D38 HydrophobicContact CE-CB 3.67Å; M36-D38 HydrophobicContact SD-CB 4.47Å; D38-Y59 CarbonylContact C-O 3.49Å; D38-Y59 VanDerWaalsContact CA-O 3.23Å; D38-Y59 WeakPolarHBondContact CA-O 3.4Å; D38-S285 VanDerWaalsContact CB-OG 3.25Å; D38-S285 WeakPolarHBondContact CB-OG 3.43Å; D38-S285 VanDerWaalsContact OD2-CB 3.27Å; D38-S285 WeakPolarHBondContact OD2-CB 3.44Å; D38-S285 PolarHBondContact OD2-N 2.85Å; D38-S285 PolarHBondContact OD2-OG 2.96Å
39A98.9Very high98Very high10 Ų1041.3 Ų41.38%0.08324%0.244CC..EExtended strand (participates in β ladder)trans-140.3171.1166.300000111.1Y59 A68 C72A39-Y59 HydrophobicContact CB-CD2 4.33Å; A39-Y59 PolarHBondContact N-O 2.99Å; A39-Y59 PolarHBondContact O-N 3.44Å; A39-A68 HydrophobicContact CB-CB 4.12Å; A39-C72 HydrophobicContact CB-CB 3.81Å
40H98.9Very high97.9Very high47 Ų4742.1 Ų42.122%0.21825%0.248CC..EExtended strand (participates in β ladder)trans-150.4155.6177.362-91000112.5H13 L26 A57 C72 I287H13-H40 AromaticContact CD2-CE1 3.86Å; L26-H40 VanDerWaalsContact CD2-CD2 3.44Å; L26-H40 WeakPolarHBondContact CD2-CD2 3.46Å; H40-A57 CarbonylContact C-O 3.48Å; H40-A57 WeakPolarHBondContact CA-O 3.26Å; H40-A57 WeakPolarHBondContact CB-O 3.4Å; H40-C72 WeakPolarHBondContact O-CB 3.47Å; H40-I287 HydrophobicContact CB-CD1 4.19Å
41T98.9Very high97.9Very high18 Ų1846.2 Ų46.211%0.1127%0.267CS..EExtended strand (participates in β ladder)trans-120.2133.8167.7-52.10000108.4V43 F55 F56 A57 Y59 C72T41-V43 HydrophobicContact CG2-CG1 4.37Å; T41-F55 HydrophobicContact CG2-CD1 3.71Å; T41-F55 HydrophobicContact CG2-CE1 3.93Å; T41-F56 CarbonylContact O-C 3.5Å; T41-F56 VanDerWaalsContact O-CA 3.27Å; T41-F56 WeakPolarHBondContact O-CA 3.44Å; T41-A57 PolarHBondContact N-O 3.32Å; T41-A57 PolarHBondContact O-N 3.05Å; T41-Y59 VanDerWaalsContact OG1-CE2 3.3Å; T41-Y59 WeakPolarHBondContact OG1-CE2 3.03Å; T41-Y59 PolarHBondContact OG1-OH 3.05Å; T41-C72 VanDerWaalsContact OG1-CA 3.27Å; T41-C72 WeakPolarHBondContact OG1-CA 3.47Å; T41-C72 PolarHBondContact OG1-O 3.45Å
42A98.8Very high97.9Very high27 Ų2748.9 Ų48.922%0.22329%0.286CS..EExtended strand (participates in β ladder)trans-141.6108.717200000109.2Y24 L26 F56Y24-A42 HydrophobicContact CD2-CB 4.15Å; Y24-A42 HydrophobicContact CE2-CB 3.57Å; L26-A42 HydrophobicContact CD2-CB 3.89Å; A42-F56 HydrophobicContact CB-CD1 3.76Å; A42-F56 HydrophobicContact CB-CE1 4Å
43V98.8Very high97.9Very high42 Ų4246.7 Ų46.726%0.25528%0.278SS..EExtended strand (participates in β ladder)trans-138.7131-177.861.10000110.9T41 L46 S54 F55 L76T41-V43 HydrophobicContact CG2-CG1 4.37Å; V43-L46 HydrophobicContact CB-CD2 4.49Å; V43-L46 HydrophobicContact CG1-CD2 3.52Å; V43-L46 HydrophobicContact CG2-CD2 4.23Å; V43-S54 CarbonylContact O-C 3.59Å; V43-S54 VanDerWaalsContact O-CA 3.29Å; V43-S54 WeakPolarHBondContact O-CA 3.43Å; V43-S54 WeakPolarHBondContact O-CB 3.45Å; V43-F55 HydrophobicContact CG1-CB 3.77Å; V43-F55 HydrophobicContact CG1-CD1 4.47Å; V43-F55 WeakPolarHBondContact CG1-O 3.43Å; V43-F55 PolarHBondContact N-O 3.43Å; V43-F55 PolarHBondContact O-N 2.85Å; V43-L76 HydrophobicContact CG1-CD2 3.68Å
44I98.8Very high97.9Very high43 Ų4344 Ų4422%0.22127%0.267CS..EExtended strand (participates in β ladder)trans-113.3122.9171.3-64.6178.7000107.2G19 N20 L22 Y24 F56G19-I44 VanDerWaalsContact C-CG2 3.5Å; N20-I44 HydrophobicContact CB-CG2 4.03Å; L22-I44 HydrophobicContact CB-CD1 4.36Å; Y24-I44 HydrophobicContact CD1-CD1 3.85Å; Y24-I44 HydrophobicContact CD1-CG1 4.42Å; Y24-I44 HydrophobicContact CE1-CD1 4.06Å; Y24-I44 HydrophobicContact CE1-CG1 4.39Å; I44-F56 HydrophobicContact CD1-CZ 4.19Å; I44-F56 HydrophobicContact CG1-CE1 4.49Å; I44-F56 HydrophobicContact CG1-CZ 3.73Å
45G98.6Very high98Very high29 Ų2941.4 Ų41.430%0.29925%0.251SS..SBendtrans86.895.9-173.400000111.5E51 W53G45-E51 VanDerWaalsContact CA-O 3.28Å; G45-E51 WeakPolarHBondContact CA-O 3.42Å; G45-W53 VanDerWaalsContact CA-O 3.27Å; G45-W53 WeakPolarHBondContact CA-O 3.4Å; G45-W53 PolarHBondContact N-O 3.37Å
46L98.4Very high98.1Very high3 Ų335.7 Ų35.72%0.01623%0.225CC..  trans-83.8154.4177.1-52.3-170.7000110.7V43 L50 E51 W53 F55 L76 L133V43-L46 HydrophobicContact CB-CD2 4.49Å; V43-L46 HydrophobicContact CG1-CD2 3.52Å; V43-L46 HydrophobicContact CG2-CD2 4.23Å; L46-L50 HydrophobicContact CB-CB 3.68Å; L46-L50 WeakPolarHBondContact CB-O 3.39Å; L46-L50 PolarHBondContact N-O 3.33Å; L46-L50 VanDerWaalsContact N-O 3.16Å; L46-L50 CarbonylContact O-C 3.5Å; L46-E51 WeakPolarHBondContact O-CA 3.21Å; L46-E51 PolarHBondContact O-N 3.19Å; L46-W53 HydrophobicContact CB-CB 4.36Å; L46-W53 HydrophobicContact CD1-CB 3.67Å; L46-W53 HydrophobicContact CG-CB 3.78Å; L46-W53 PolarHBondContact N-O 2.96Å; L46-F55 HydrophobicContact CD2-CB 3.99Å; L46-L76 HydrophobicContact CD1-CD1 4.07Å; L46-L76 HydrophobicContact CD2-CD1 4.34Å; L46-L76 HydrophobicContact CD2-CD2 3.82Å; L46-L133 HydrophobicContact CD1-CD1 3.57Å
47P96.3Very high98.1Very high69 Ų6933.3 Ų33.345%0.44821%0.213SC..SBendtrans-70.2176.4177.630.3-36.3000112.8G49 L50P47-G49 PolarHBondContact O-N 3.46Å; P47-L50 PolarHBondContact O-N 3.25Å
48S93.8Very high98.1Very high104 Ų10432.1 Ų32.173%0.72721%0.207SC*.THydrogen-bonded Turntrans62.641.5167.1-56.50000115.2
49G94.4Very high98.1Very high54 Ų5431.4 Ų31.456%0.55720%0.204SC*.THydrogen-bonded Turntrans86.11017700000114.1P47 E51P47-G49 PolarHBondContact O-N 3.46Å; G49-E51 WeakPolarHBondContact CA-OE1 3.41Å; G49-E51 WeakPolarHBondContact CA-OE2 3.29Å; G49-E51 PolarHBondContact N-OE1 3.41Å
50L97.2Very high98.1Very high18 Ų1831.7 Ų31.79%0.09420%0.204CC..  trans-109.630178.2-60.2173000111L46 P47 S52 W53 T80 F85L46-L50 HydrophobicContact CB-CB 3.68Å; L46-L50 WeakPolarHBondContact CB-O 3.39Å; L46-L50 PolarHBondContact N-O 3.33Å; L46-L50 VanDerWaalsContact N-O 3.16Å; L46-L50 CarbonylContact O-C 3.5Å; P47-L50 PolarHBondContact O-N 3.25Å; L50-S52 PolarHBondContact O-N 2.91Å; L50-S52 VanDerWaalsContact O-N 3.1Å; L50-W53 HydrophobicContact CB-CB 4.16Å; L50-W53 HydrophobicContact CB-CG 4.03Å; L50-W53 HydrophobicContact CD2-CD2 4.14Å; L50-W53 HydrophobicContact CD2-CG 4.14Å; L50-W53 HydrophobicContact CD2-CZ2 4.35Å; L50-W53 WeakPolarHBondContact O-CA 3.41Å; L50-W53 VanDerWaalsContact O-CB 3.26Å; L50-W53 WeakPolarHBondContact O-CB 3.48Å; L50-W53 PolarHBondContact O-N 2.67Å; L50-T80 HydrophobicContact CD1-CG2 4.18Å; L50-F85 HydrophobicContact CD1-CE1 3.7Å; L50-F85 HydrophobicContact CD1-CZ 4.12Å
51E98.1Very high98.1Very high114 Ų11429.5 Ų29.553%0.53319%0.194SC..THydrogen-bonded Turntrans-64.2-21.8-175.5-61.574-156.800112.3N20 G45 L46 G49 W53N20-E51 PolarHBondContact ND2-O 3.04Å; N20-E51 PolarHBondContact OD1-O 3.45Å; G45-E51 VanDerWaalsContact CA-O 3.28Å; G45-E51 WeakPolarHBondContact CA-O 3.42Å; L46-E51 WeakPolarHBondContact O-CA 3.21Å; L46-E51 PolarHBondContact O-N 3.19Å; G49-E51 WeakPolarHBondContact CA-OE1 3.41Å; G49-E51 WeakPolarHBondContact CA-OE2 3.29Å; G49-E51 PolarHBondContact N-OE1 3.41Å; E51-W53 VanDerWaalsContact C-N 3.28Å
52S98.4Very high98.1Very high56 Ų5630.4 Ų30.439%0.39220%0.197SC..THydrogen-bonded Turntrans-84.82.6173.2690000114L50 P136L50-S52 PolarHBondContact O-N 2.91Å; L50-S52 VanDerWaalsContact O-N 3.1Å; S52-P136 VanDerWaalsContact OG-CG 3.29Å; S52-P136 WeakPolarHBondContact OG-CG 3.41Å
53W98.7Very high98Very high21 Ų2132.4 Ų32.48%0.0821%0.213CC..  trans-101.8158.1178.8-65.660.1000110.6N20 G45 L46 L50 E51 F85 V97 L133 I134 S135 Y140N20-W53 PolarHBondContact ND2-O 3Å; G45-W53 VanDerWaalsContact CA-O 3.27Å; G45-W53 WeakPolarHBondContact CA-O 3.4Å; G45-W53 PolarHBondContact N-O 3.37Å; L46-W53 HydrophobicContact CB-CB 4.36Å; L46-W53 HydrophobicContact CD1-CB 3.67Å; L46-W53 HydrophobicContact CG-CB 3.78Å; L46-W53 PolarHBondContact N-O 2.96Å; L50-W53 HydrophobicContact CB-CB 4.16Å; L50-W53 HydrophobicContact CB-CG 4.03Å; L50-W53 HydrophobicContact CD2-CD2 4.14Å; L50-W53 HydrophobicContact CD2-CG 4.14Å; L50-W53 HydrophobicContact CD2-CZ2 4.35Å; L50-W53 WeakPolarHBondContact O-CA 3.41Å; L50-W53 VanDerWaalsContact O-CB 3.26Å; L50-W53 WeakPolarHBondContact O-CB 3.48Å; L50-W53 PolarHBondContact O-N 2.67Å; E51-W53 VanDerWaalsContact C-N 3.28Å; W53-F85 HydrophobicContact CZ3-CZ 4.48Å; W53-V97 HydrophobicContact CH2-CG2 3.77Å; W53-V97 HydrophobicContact CZ3-CG2 4.22Å; W53-L133 HydrophobicContact CE3-CD1 3.85Å; W53-L133 HydrophobicContact CE3-CD2 3.96Å; W53-L133 HydrophobicContact CE3-CG 3.67Å; W53-L133 HydrophobicContact CZ3-CD1 4.41Å; W53-L133 HydrophobicContact CZ3-CD2 3.67Å; W53-L133 HydrophobicContact CZ3-CG 3.77Å; W53-I134 CarbonylContact C-O 3.57Å; W53-I134 WeakPolarHBondContact CA-O 3.47Å; W53-S135 VanDerWaalsContact CE2-CB 3.48Å; W53-S135 VanDerWaalsContact CH2-CB 3.48Å; W53-S135 VanDerWaalsContact CZ2-CB 3.44Å; W53-Y140 HydrophobicContact CH2-CE2 4Å; W53-Y140 HydrophobicContact CZ3-CD2 4.25Å; W53-Y140 AromaticContact CZ3-CE2 3.9Å; W53-Y140 HydrophobicContact CZ3-CE2 3.9Å
54S98.9Very high97.9Very high1 Ų131.1 Ų31.11%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-138.1150.5175.4-45.80000109.6V43 I134V43-S54 CarbonylContact O-C 3.59Å; V43-S54 VanDerWaalsContact O-CA 3.29Å; V43-S54 WeakPolarHBondContact O-CA 3.43Å; V43-S54 WeakPolarHBondContact O-CB 3.45Å; S54-I134 PolarHBondContact N-O 3.38Å; S54-I134 PolarHBondContact O-N 3.18Å
55F98.9Very high97.9Very high3 Ų330.3 Ų30.31%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-135132.5178.5178.3-105.3000110.5T41 V43 L46 A57 L76 V132 L133 I142T41-F55 HydrophobicContact CG2-CD1 3.71Å; T41-F55 HydrophobicContact CG2-CE1 3.93Å; V43-F55 HydrophobicContact CG1-CB 3.77Å; V43-F55 HydrophobicContact CG1-CD1 4.47Å; V43-F55 WeakPolarHBondContact CG1-O 3.43Å; V43-F55 PolarHBondContact N-O 3.43Å; V43-F55 PolarHBondContact O-N 2.85Å; L46-F55 HydrophobicContact CD2-CB 3.99Å; F55-A57 HydrophobicContact CE1-CB 3.82Å; F55-A57 HydrophobicContact CZ-CB 3.69Å; F55-L76 HydrophobicContact CB-CD1 3.86Å; F55-L76 HydrophobicContact CB-CD2 4.24Å; F55-L76 HydrophobicContact CD1-CB 3.99Å; F55-L76 HydrophobicContact CD1-CD1 3.96Å; F55-L76 HydrophobicContact CD1-CD2 4.1Å; F55-L76 HydrophobicContact CD1-CG 4.24Å; F55-L76 HydrophobicContact CD2-CD1 4.23Å; F55-L76 HydrophobicContact CE1-CB 4.1Å; F55-L76 HydrophobicContact CG-CD1 3.76Å; F55-L76 HydrophobicContact CG-CD2 4.44Å; F55-L76 HydrophobicContact CG-CG 4.5Å; F55-V132 WeakPolarHBondContact CA-O 3.29Å; F55-V132 WeakPolarHBondContact CD2-O 3.41Å; F55-L133 HydrophobicContact CB-CD1 4.15Å; F55-L133 HydrophobicContact CD2-CB 4.21Å; F55-L133 HydrophobicContact CD2-CD1 4.17Å; F55-I142 HydrophobicContact CE2-CD1 4.16Å
56F99Very high97.8Very high0 Ų034.8 Ų34.80%022%0.22CC..EExtended strand (participates in β ladder)trans-134.3136.5177.7-58-86.6000109.1L22 Y24 T41 A42 I44 G131 V132 I134 L236 I287 I289L22-F56 HydrophobicContact CD1-CE2 4.23Å; Y24-F56 AromaticContact CD1-CE1 3.5Å; Y24-F56 HydrophobicContact CD1-CE1 3.5Å; Y24-F56 VanDerWaalsContact CD1-CE1 3.5Å; Y24-F56 AromaticContact CD1-CZ 3.92Å; Y24-F56 HydrophobicContact CD1-CZ 3.92Å; Y24-F56 HydrophobicContact CD2-CE1 4.09Å; Y24-F56 AromaticContact CE1-CE1 4Å; Y24-F56 HydrophobicContact CE1-CE1 4Å; Y24-F56 HydrophobicContact CG-CD1 4.37Å; Y24-F56 AromaticContact CG-CE1 3.53Å; Y24-F56 HydrophobicContact CG-CE1 3.53Å; Y24-F56 HydrophobicContact CG-CZ 4.22Å; T41-F56 CarbonylContact O-C 3.5Å; T41-F56 VanDerWaalsContact O-CA 3.27Å; T41-F56 WeakPolarHBondContact O-CA 3.44Å; A42-F56 HydrophobicContact CB-CD1 3.76Å; A42-F56 HydrophobicContact CB-CE1 4Å; I44-F56 HydrophobicContact CD1-CZ 4.19Å; I44-F56 HydrophobicContact CG1-CE1 4.49Å; I44-F56 HydrophobicContact CG1-CZ 3.73Å; F56-G131 CarbonylContact O-C 3.5Å; F56-G131 WeakPolarHBondContact O-CA 3.29Å; F56-V132 HydrophobicContact CB-CG2 4.14Å; F56-V132 HydrophobicContact CD2-CG2 4.22Å; F56-V132 PolarHBondContact N-O 3.27Å; F56-V132 PolarHBondContact O-N 3.38Å; F56-I134 HydrophobicContact CD2-CD1 4.22Å; F56-I134 HydrophobicContact CE2-CD1 4.22Å; F56-L236 HydrophobicContact CB-CD1 3.8Å; F56-L236 WeakPolarHBondContact O-CD1 3.17Å; F56-I287 HydrophobicContact CB-CD1 4.43Å; F56-I287 HydrophobicContact CD1-CG2 4.14Å; F56-I289 HydrophobicContact CB-CD1 4.18Å; F56-I289 HydrophobicContact CB-CG1 4.34Å; F56-I289 HydrophobicContact CD1-CG1 4.05Å; F56-I289 HydrophobicContact CD2-CD1 4.48Å; F56-I289 HydrophobicContact CD2-CG1 3.84Å; F56-I289 HydrophobicContact CD2-CG2 4.48Å; F56-I289 HydrophobicContact CE1-CG1 4.31Å; F56-I289 HydrophobicContact CE2-CG1 4.1Å; F56-I289 HydrophobicContact CE2-CG2 4.05Å; F56-I289 HydrophobicContact CG-CD1 4.2Å; F56-I289 HydrophobicContact CG-CG1 3.8Å; F56-I289 HydrophobicContact CZ-CG1 4.33Å; F56-I289 HydrophobicContact CZ-CG2 4.36Å
57A99Very high97.9Very high1 Ų135 Ų351%0.00822%0.222CC..EExtended strand (participates in β ladder)trans-152145.9178.200000112.4H40 T41 F55 Y59 V130 I287H40-A57 CarbonylContact C-O 3.48Å; H40-A57 WeakPolarHBondContact CA-O 3.26Å; H40-A57 WeakPolarHBondContact CB-O 3.4Å; T41-A57 PolarHBondContact N-O 3.32Å; T41-A57 PolarHBondContact O-N 3.05Å; F55-A57 HydrophobicContact CE1-CB 3.82Å; F55-A57 HydrophobicContact CZ-CB 3.69Å; A57-Y59 HydrophobicContact CB-CE1 4.26Å; A57-Y59 HydrophobicContact CB-CE2 3.67Å; A57-Y59 WeakPolarHBondContact CB-OH 3.28Å; A57-V130 CarbonylContact C-O 3.5Å; A57-V130 WeakPolarHBondContact CA-O 3.45Å; A57-I287 WeakPolarHBondContact O-CD1 3.48Å
58V98.9Very high98Very high0 Ų031.8 Ų31.80%020%0.201CC..EExtended strand (participates in β ladder)trans-111.3137.2168.2174.20000108A129 V130 L236 C238 I287V58-A129 WeakPolarHBondContact O-CA 3.35Å; V58-V130 HydrophobicContact CB-CG1 4.11Å; V58-V130 PolarHBondContact N-O 2.84Å; V58-V130 PolarHBondContact O-N 2.78Å; V58-L236 HydrophobicContact CG2-CB 3.95Å; V58-C238 HydrophobicContact CG1-CB 4.3Å; V58-I287 HydrophobicContact CG2-CD1 3.83Å; V58-I287 HydrophobicContact CG2-CG1 3.77Å
59Y98.9Very high98.2Very high0 Ų032 Ų320%019%0.189CC..EExtended strand (participates in β ladder)trans-124.3110.4179.1-52-86.8000108D38 A39 T41 A57 C71 C72 L75 T128 A129D38-Y59 CarbonylContact C-O 3.49Å; D38-Y59 VanDerWaalsContact CA-O 3.23Å; D38-Y59 WeakPolarHBondContact CA-O 3.4Å; A39-Y59 HydrophobicContact CB-CD2 4.33Å; A39-Y59 PolarHBondContact N-O 2.99Å; A39-Y59 PolarHBondContact O-N 3.44Å; T41-Y59 VanDerWaalsContact OG1-CE2 3.3Å; T41-Y59 WeakPolarHBondContact OG1-CE2 3.03Å; T41-Y59 PolarHBondContact OG1-OH 3.05Å; A57-Y59 HydrophobicContact CB-CE1 4.26Å; A57-Y59 HydrophobicContact CB-CE2 3.67Å; A57-Y59 WeakPolarHBondContact CB-OH 3.28Å; Y59-C71 HydrophobicContact CD1-CB 3.64Å; Y59-C71 HydrophobicContact CE1-CB 3.62Å; Y59-C71 HydrophobicContact CG-CB 4.35Å; Y59-C71 PolarHBondContact OH-O 3.2Å; Y59-C72 HydrophobicContact CD2-CB 3.57Å; Y59-C72 HydrophobicContact CE2-CB 3.47Å; Y59-C72 VanDerWaalsContact CE2-CB 3.47Å; Y59-L75 HydrophobicContact CE1-CD2 3.7Å; Y59-T128 WeakPolarHBondContact CA-O 3.43Å; Y59-A129 HydrophobicContact CD1-CB 3.74Å; Y59-A129 HydrophobicContact CE1-CB 3.81Å
60D98.9Very high98.4Very high15 Ų1531.5 Ų31.58%0.0817%0.17CC..  trans-89115.3173.3-170.4-24.9000107.8S127 T128 C238D60-S127 CarbonylContact O-C 3.42Å; D60-S127 WeakPolarHBondContact O-CA 3.18Å; D60-S127 WeakPolarHBondContact O-CB 3.43Å; D60-S127 PolarHBondContact O-OG 3.1Å; D60-T128 HydrophobicContact CB-CG2 4.24Å; D60-T128 WeakPolarHBondContact CB-OG1 3.28Å; D60-T128 PolarHBondContact N-OG1 3.1Å; D60-T128 PolarHBondContact O-N 2.63Å; D60-C238 HydrophobicContact CB-CB 3.95Å; D60-C238 WeakPolarHBondContact OD2-CB 3.46Å
61G98.7Very high98.5Very high2 Ų230.7 Ų30.72%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-92.9145.8-177.700000111.3E37E37-G61 WeakPolarHBondContact CB-O 3.22Å
62H98.3Very high98.5Very high37 Ų3726.5 Ų26.517%0.17115%0.149CC..EExtended strand (participates in β ladder)trans-137.2146.3174.254-103.2000111.6G64 S125 G126 D199H62-G64 PolarHBondContact O-N 3.39Å; H62-S125 CarbonylContact O-C 3.59Å; H62-S125 WeakPolarHBondContact O-CA 3.44Å; H62-S125 VanDerWaalsContact O-CB 3.28Å; H62-S125 WeakPolarHBondContact O-CB 3.49Å; H62-G126 PolarHBondContact N-O 2.9Å; H62-G126 VanDerWaalsContact NE2-CA 3.33Å; H62-G126 WeakPolarHBondContact NE2-CA 3.29Å; H62-G126 PolarHBondContact O-N 3.07Å; H62-D199 IonicContact CD2-OD1 2.71Å; H62-D199 IonicContact CD2-OD2 3.15Å; H62-D199 IonicContact CE1-OD2 3.39Å; H62-D199 PolarHBondContact CE1-OD2 2.93Å; H62-D199 IonicContact NE2-OD1 3.19Å; H62-D199 PolarHBondContact NE2-OD1 3.49Å; H62-D199 IonicContact NE2-OD2 3.54Å; H62-D199 PolarHBondContact NE2-OD2 3.11Å
63A96.9Very high98.5Very high68 Ų6830.2 Ų30.256%0.56216%0.16SC*.SBendtrans58.134.4-177.800000113.4S125A63-S125 WeakPolarHBondContact O-CA 3.43Å; A63-S125 WeakPolarHBondContact O-CB 3.37Å; A63-S125 PolarHBondContact O-N 3.45Å
64G97.1Very high98.5Very high16 Ų1631.9 Ų31.917%0.16517%0.169CC..SBendtrans125.8163.1-175.700000112.1E37 H62 S125E37-G64 VanDerWaalsContact OE1-CA 3.22Å; E37-G64 WeakPolarHBondContact OE1-CA 3.44Å; E37-G64 PolarHBondContact OE1-N 2.88Å; H62-G64 PolarHBondContact O-N 3.39Å; G64-S125 VanDerWaalsContact O-CB 3.25Å; G64-S125 WeakPolarHBondContact O-CB 3.45Å
65S97.9Very high98.5Very high26 Ų2632 Ų3218%0.18217%0.169CC..SBendtrans-1044-179.2560000114K69S65-K69 WeakPolarHBondContact O-CB 3.46Å; S65-K69 VanDerWaalsContact O-CG 3.28Å; S65-K69 WeakPolarHBondContact O-CG 3.21Å; S65-K69 PolarHBondContact O-N 3.21Å; S65-K69 PolarHBondContact OG-NZ 2.95Å
66Q98Very high98.5Very high122 Ų12232.8 Ų32.857%0.5717%0.174SC*.Hα-helixtrans-69-45.5-170.1-72.1-176.162.500112.2Y70 D123Q66-Y70 WeakPolarHBondContact O-CB 3.33Å; Q66-Y70 PolarHBondContact O-N 3.12Å; Q66-D123 PolarHBondContact NE2-OD2 3.36Å
67V98.6Very high98.5Very high9 Ų936.1 Ų36.16%0.05519%0.191CC..Hα-helixtrans-65.1-47177.6172.80000110.8K69 Y70 C71 M112 S125 L197V67-K69 PolarHBondContact O-N 2.99Å; V67-Y70 PolarHBondContact O-N 3.4Å; V67-C71 WeakPolarHBondContact O-CB 3.48Å; V67-C71 PolarHBondContact O-N 3.02Å; V67-C71 PolarHBondContact O-SG 3.07Å; V67-M112 HydrophobicContact CB-SD 4.43Å; V67-M112 HydrophobicContact CG1-CE 3.97Å; V67-M112 HydrophobicContact CG1-SD 4.04Å; V67-M112 HydrophobicContact CG2-SD 4.27Å; V67-S125 WeakPolarHBondContact CG2-O 3.49Å; V67-S125 WeakPolarHBondContact CG2-OG 3.45Å; V67-S125 PolarHBondContact N-OG 3.48Å; V67-L197 HydrophobicContact CG1-CB 3.98Å
68A98.7Very high98.5Very high0 Ų037.7 Ų37.70%020%0.199CC..Hα-helixtrans-56.7-48.2178.300000112.2E37 A39 C71 C72 S127E37-A68 WeakPolarHBondContact O-CB 3.37Å; A39-A68 HydrophobicContact CB-CB 4.12Å; A68-C71 PolarHBondContact O-N 3.41Å; A68-C72 PolarHBondContact O-N 3.26Å; A68-S127 WeakPolarHBondContact CB-OG 3.49Å
69K98.7Very high98.5Very high109 Ų10937.8 Ų37.847%0.47420%0.199SC..Hα-helixtrans-62.9-42.8177-75.9171.5177.7155.80112.8S65 V67 C71 C72 E73S65-K69 WeakPolarHBondContact O-CB 3.46Å; S65-K69 VanDerWaalsContact O-CG 3.28Å; S65-K69 WeakPolarHBondContact O-CG 3.21Å; S65-K69 PolarHBondContact O-N 3.21Å; S65-K69 PolarHBondContact OG-NZ 2.95Å; V67-K69 PolarHBondContact O-N 2.99Å; K69-C71 VanDerWaalsContact C-N 3.31Å; K69-C71 PolarHBondContact O-N 3.33Å; K69-C72 PolarHBondContact O-N 3.44Å; K69-C72 PolarHBondContact O-SG 2.89Å; K69-E73 PolarHBondContact O-N 3.45Å
70Y98.6Very high98.4Very high44 Ų4438.2 Ų38.217%0.17320%0.202CC..Hα-helixtrans-65-39.7177.9-169.9-95.8000111.5Q66 V67 E73 H74 I108 H111 M112 M115Q66-Y70 WeakPolarHBondContact O-CB 3.33Å; Q66-Y70 PolarHBondContact O-N 3.12Å; V67-Y70 PolarHBondContact O-N 3.4Å; Y70-E73 PolarHBondContact O-N 3.39Å; Y70-H74 HydrophobicContact CD1-CB 4.4Å; Y70-H74 AromaticContact CD2-CE1 3.78Å; Y70-H74 AromaticContact CD2-ND1 3.45Å; Y70-H74 WeakPolarHBondContact CD2-ND1 3.08Å; Y70-H74 HydrophobicContact CE1-CB 4Å; Y70-H74 AromaticContact CE2-CE1 3.6Å; Y70-H74 AromaticContact CE2-CG 3.91Å; Y70-H74 AromaticContact CE2-ND1 3.39Å; Y70-H74 WeakPolarHBondContact CE2-ND1 3.33Å; Y70-H74 AromaticContact CG-ND1 3.84Å; Y70-H74 AromaticContact CZ-CG 3.81Å; Y70-H74 AromaticContact CZ-ND1 3.74Å; Y70-H74 WeakPolarHBondContact O-CB 3.34Å; Y70-H74 PolarHBondContact O-N 3.39Å; Y70-H74 PolarHBondContact O-ND1 2.91Å; Y70-I108 HydrophobicContact CD1-CD1 3.92Å; Y70-I108 HydrophobicContact CD1-CG1 4.06Å; Y70-I108 HydrophobicContact CE1-CD1 3.93Å; Y70-I108 HydrophobicContact CE1-CG1 3.75Å; Y70-H111 PolarHBondContact OH-CE1 2.95Å; Y70-H111 PolarHBondContact OH-ND1 3.12Å; Y70-H111 VanDerWaalsContact OH-ND1 3.12Å; Y70-M112 HydrophobicContact CD1-CG 3.4Å; Y70-M112 HydrophobicContact CD1-SD 3.45Å; Y70-M112 WeakPolarHBondContact CD1-SD 3.48Å; Y70-M112 HydrophobicContact CE1-CG 3.68Å; Y70-M112 HydrophobicContact CE1-SD 4.3Å; Y70-M112 HydrophobicContact CG-CG 4.14Å; Y70-M112 HydrophobicContact CG-SD 4.03Å; Y70-M115 HydrophobicContact CD2-CE 4.28Å; Y70-M115 HydrophobicContact CE1-CE 3.91Å; Y70-M115 HydrophobicContact CE2-CE 3.65Å; Y70-M115 VanDerWaalsContact CZ-CE 3.43Å; Y70-M115 WeakPolarHBondContact OH-CE 3.39Å
71C98.9Very high98.4Very high0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-64.6-42.9177.8-66.80000112Y59 V67 A68 K69 E73 H74 L75 L197Y59-C71 HydrophobicContact CD1-CB 3.64Å; Y59-C71 HydrophobicContact CE1-CB 3.62Å; Y59-C71 HydrophobicContact CG-CB 4.35Å; Y59-C71 PolarHBondContact OH-O 3.2Å; V67-C71 WeakPolarHBondContact O-CB 3.48Å; V67-C71 PolarHBondContact O-N 3.02Å; V67-C71 PolarHBondContact O-SG 3.07Å; A68-C71 PolarHBondContact O-N 3.41Å; K69-C71 VanDerWaalsContact C-N 3.31Å; K69-C71 PolarHBondContact O-N 3.33Å; C71-E73 PolarHBondContact O-N 3.24Å; C71-H74 PolarHBondContact O-N 2.94Å; C71-L75 WeakPolarHBondContact O-CB 3.37Å; C71-L75 PolarHBondContact O-N 2.95Å; C71-L197 HydrophobicContact CB-CD1 4.44Å; C71-L197 WeakPolarHBondContact SG-CD1 3.44Å
72C98.7Very high98.4Very high27 Ų2741.4 Ų41.418%0.18222%0.218CC..Hα-helixtrans-66.3-23.9-178.380.40000113.8A39 H40 T41 Y59 A68 K69A39-C72 HydrophobicContact CB-CB 3.81Å; H40-C72 WeakPolarHBondContact O-CB 3.47Å; T41-C72 VanDerWaalsContact OG1-CA 3.27Å; T41-C72 WeakPolarHBondContact OG1-CA 3.47Å; T41-C72 PolarHBondContact OG1-O 3.45Å; Y59-C72 HydrophobicContact CD2-CB 3.57Å; Y59-C72 HydrophobicContact CE2-CB 3.47Å; Y59-C72 VanDerWaalsContact CE2-CB 3.47Å; A68-C72 PolarHBondContact O-N 3.26Å; K69-C72 PolarHBondContact O-N 3.44Å; K69-C72 PolarHBondContact O-SG 2.89Å
73E98.7Very high98.3Very high134 Ų13446.9 Ų46.963%0.62624%0.244SC*.Hα-helixtrans-91.1-31.8177.6-69.5174.6178.200112.9K69 Y70 C71K69-E73 PolarHBondContact O-N 3.45Å; Y70-E73 PolarHBondContact O-N 3.39Å; C71-E73 PolarHBondContact O-N 3.24Å
74H98.8Very high98.4Very high56 Ų5646.3 Ų46.326%0.25923%0.231SC..Hα-helixtrans-125.9-12.8-165-5491.5000115.6Y70 C71 L76 D77 H78 I108Y70-H74 HydrophobicContact CD1-CB 4.4Å; Y70-H74 AromaticContact CD2-CE1 3.78Å; Y70-H74 AromaticContact CD2-ND1 3.45Å; Y70-H74 WeakPolarHBondContact CD2-ND1 3.08Å; Y70-H74 HydrophobicContact CE1-CB 4Å; Y70-H74 AromaticContact CE2-CE1 3.6Å; Y70-H74 AromaticContact CE2-CG 3.91Å; Y70-H74 AromaticContact CE2-ND1 3.39Å; Y70-H74 WeakPolarHBondContact CE2-ND1 3.33Å; Y70-H74 AromaticContact CG-ND1 3.84Å; Y70-H74 AromaticContact CZ-CG 3.81Å; Y70-H74 AromaticContact CZ-ND1 3.74Å; Y70-H74 WeakPolarHBondContact O-CB 3.34Å; Y70-H74 PolarHBondContact O-N 3.39Å; Y70-H74 PolarHBondContact O-ND1 2.91Å; C71-H74 PolarHBondContact O-N 2.94Å; H74-L76 VanDerWaalsContact C-N 3.35Å; H74-L76 PolarHBondContact O-N 2.63Å; H74-D77 PolarHBondContact O-N 3.3Å; H74-H78 PolarHBondContact O-N 3.14Å; H74-H78 VanDerWaalsContact O-N 3.13Å; H74-H78 PolarHBondContact O-ND1 3.45Å; H74-I108 HydrophobicContact CB-CD1 4.23Å
75L98.9Very high98.4Very high3 Ų345.7 Ų45.72%0.01622%0.224CC..Hα-helixtrans-60.3-45.6-176.6177.363.6000111.7Y59 C71 D77 H78 I79 F105 I108 A129 L197Y59-L75 HydrophobicContact CE1-CD2 3.7Å; C71-L75 WeakPolarHBondContact O-CB 3.37Å; C71-L75 PolarHBondContact O-N 2.95Å; L75-D77 VanDerWaalsContact C-N 3.27Å; L75-D77 PolarHBondContact O-N 2.94Å; L75-H78 PolarHBondContact O-N 2.91Å; L75-I79 HydrophobicContact CD1-CD1 4.06Å; L75-I79 HydrophobicContact CD1-CG1 4.21Å; L75-I79 HydrophobicContact CD2-CD1 4.37Å; L75-I79 HydrophobicContact CG-CD1 3.81Å; L75-I79 HydrophobicContact CG-CG1 4.37Å; L75-I79 VanDerWaalsContact O-CG1 3.31Å; L75-I79 WeakPolarHBondContact O-CG1 3.45Å; L75-I79 PolarHBondContact O-N 3.09Å; L75-F105 HydrophobicContact CD1-CD2 3.81Å; L75-F105 HydrophobicContact CD1-CE2 3.85Å; L75-F105 HydrophobicContact CD1-CG 4.24Å; L75-F105 HydrophobicContact CD1-CZ 4.28Å; L75-F105 HydrophobicContact CD2-CE1 4.38Å; L75-F105 HydrophobicContact CD2-CE2 3.81Å; L75-F105 HydrophobicContact CD2-CZ 3.7Å; L75-F105 HydrophobicContact CG-CE2 4.29Å; L75-I108 HydrophobicContact CB-CD1 4.13Å; L75-I108 HydrophobicContact CD1-CD1 4.4Å; L75-I108 HydrophobicContact CD1-CG2 3.87Å; L75-A129 HydrophobicContact CD2-CB 4.39Å; L75-L197 HydrophobicContact CD1-CD1 4.48Å
76L98.8Very high98.3Very high20 Ų2049.8 Ų49.811%0.10524%0.239CC..Hα-helixtrans-56.9-41.1179.1175.461.4000112.6V43 L46 F55 H74 I79 T80V43-L76 HydrophobicContact CG1-CD2 3.68Å; L46-L76 HydrophobicContact CD1-CD1 4.07Å; L46-L76 HydrophobicContact CD2-CD1 4.34Å; L46-L76 HydrophobicContact CD2-CD2 3.82Å; F55-L76 HydrophobicContact CB-CD1 3.86Å; F55-L76 HydrophobicContact CB-CD2 4.24Å; F55-L76 HydrophobicContact CD1-CB 3.99Å; F55-L76 HydrophobicContact CD1-CD1 3.96Å; F55-L76 HydrophobicContact CD1-CD2 4.1Å; F55-L76 HydrophobicContact CD1-CG 4.24Å; F55-L76 HydrophobicContact CD2-CD1 4.23Å; F55-L76 HydrophobicContact CE1-CB 4.1Å; F55-L76 HydrophobicContact CG-CD1 3.76Å; F55-L76 HydrophobicContact CG-CD2 4.44Å; F55-L76 HydrophobicContact CG-CG 4.5Å; H74-L76 VanDerWaalsContact C-N 3.35Å; H74-L76 PolarHBondContact O-N 2.63Å; L76-I79 PolarHBondContact O-N 2.87Å; L76-T80 HydrophobicContact CD1-CG2 3.89Å; L76-T80 WeakPolarHBondContact O-CG2 3.29Å; L76-T80 PolarHBondContact O-N 2.83Å; L76-T80 PolarHBondContact O-OG1 3.09Å
77D98.5Very high98Very high69 Ų6945.5 Ų45.537%0.36923%0.227SC..Hα-helixtrans-69.7-39.4179.4-76.3-12.8000111.6H74 L75 I79 T80 N81H74-D77 PolarHBondContact O-N 3.3Å; L75-D77 VanDerWaalsContact C-N 3.27Å; L75-D77 PolarHBondContact O-N 2.94Å; D77-I79 VanDerWaalsContact C-N 3.28Å; D77-I79 PolarHBondContact O-N 3.32Å; D77-T80 PolarHBondContact O-N 3.38Å; D77-N81 WeakPolarHBondContact O-CB 3.44Å; D77-N81 PolarHBondContact O-N 2.83Å; D77-N81 PolarHBondContact O-ND2 3.28Å; D77-N81 VanDerWaalsContact O-ND2 3.09Å
78H98.8Very high97Very high35 Ų3551.3 Ų51.316%0.16227%0.268CS..Hα-helixtrans-64.9-35.3174.5-7173.2000111.2H74 L75 N82 G104 I108 H111H74-H78 PolarHBondContact O-N 3.14Å; H74-H78 VanDerWaalsContact O-N 3.13Å; H74-H78 PolarHBondContact O-ND1 3.45Å; L75-H78 PolarHBondContact O-N 2.91Å; H78-N82 PolarHBondContact O-ND2 3.44Å; H78-G104 WeakPolarHBondContact O-CA 3.42Å; H78-I108 HydrophobicContact CB-CB 4.12Å; H78-H111 AromaticContact CE1-ND1 3.74Å; H78-H111 AromaticContact NE2-CG 3.97Å; H78-H111 AromaticContact NE2-ND1 3.13Å; H78-H111 PolarHBondContact NE2-ND1 2.98Å; H78-H111 VanDerWaalsContact NE2-ND1 3.13Å
79I98.8Very high96.1Very high1 Ų155.5 Ų55.51%0.00530%0.303CS..Hα-helixtrans-67.1-48.2174.9-68.1172000111.4L75 L76 D77 N82 F85 I101 F105L75-I79 HydrophobicContact CD1-CD1 4.06Å; L75-I79 HydrophobicContact CD1-CG1 4.21Å; L75-I79 HydrophobicContact CD2-CD1 4.37Å; L75-I79 HydrophobicContact CG-CD1 3.81Å; L75-I79 HydrophobicContact CG-CG1 4.37Å; L75-I79 VanDerWaalsContact O-CG1 3.31Å; L75-I79 WeakPolarHBondContact O-CG1 3.45Å; L75-I79 PolarHBondContact O-N 3.09Å; L76-I79 PolarHBondContact O-N 2.87Å; D77-I79 VanDerWaalsContact C-N 3.28Å; D77-I79 PolarHBondContact O-N 3.32Å; I79-N82 PolarHBondContact O-ND2 2.91Å; I79-F85 HydrophobicContact CG2-CD2 3.96Å; I79-F85 HydrophobicContact CG2-CE2 4.16Å; I79-F85 WeakPolarHBondContact O-CB 3.48Å; I79-F85 WeakPolarHBondContact O-CD2 3.3Å; I79-F85 VanDerWaalsContact O-CG 3.32Å; I79-F85 WeakPolarHBondContact O-CG 3.27Å; I79-I101 HydrophobicContact CD1-CG1 4.41Å; I79-I101 HydrophobicContact CD1-CG2 4.41Å; I79-I101 HydrophobicContact CG2-CB 4.4Å; I79-I101 HydrophobicContact CG2-CG1 3.66Å; I79-F105 HydrophobicContact CD1-CD2 4.34Å; I79-F105 HydrophobicContact CD1-CE2 4.03Å
80T98.4Very high95.4Very high10 Ų1053.9 Ų53.96%0.06132%0.317CS..Hα-helixtrans-88.4-22.5-168.854.90000113.8L50 L76 D77 F85L50-T80 HydrophobicContact CD1-CG2 4.18Å; L76-T80 HydrophobicContact CD1-CG2 3.89Å; L76-T80 WeakPolarHBondContact O-CG2 3.29Å; L76-T80 PolarHBondContact O-N 2.83Å; L76-T80 PolarHBondContact O-OG1 3.09Å; D77-T80 PolarHBondContact O-N 3.38Å; T80-F85 HydrophobicContact CG2-CE1 4.14Å; T80-F85 HydrophobicContact CG2-CE2 4.37Å; T80-F85 HydrophobicContact CG2-CZ 4.06Å
81N97.8Very high95Very high75 Ų7556.2 Ų56.240%0.40135%0.345SS..Hα-helixtrans-91.6-10.5-176.7-69-50.8000115D77 K86D77-N81 WeakPolarHBondContact O-CB 3.44Å; D77-N81 PolarHBondContact O-N 2.83Å; D77-N81 PolarHBondContact O-ND2 3.28Å; D77-N81 VanDerWaalsContact O-ND2 3.09Å; N81-K86 WeakPolarHBondContact O-CE 3.27Å; N81-K86 PolarHBondContact O-NZ 3.49Å
82N97.9Very high94.9Very high9 Ų957.4 Ų57.45%0.04835%0.353CS..SBendtrans-75.8162.6177.173.265.1000112.6H78 I79 D84 F85 K86 G100 T103H78-N82 PolarHBondContact O-ND2 3.44Å; I79-N82 PolarHBondContact O-ND2 2.91Å; N82-D84 PolarHBondContact O-N 3.2Å; N82-D84 WeakPolarHBondContact OD1-CB 3.35Å; N82-D84 PolarHBondContact OD1-N 3.09Å; N82-F85 PolarHBondContact OD1-N 3.47Å; N82-K86 WeakPolarHBondContact O-CG 3.23Å; N82-K86 PolarHBondContact O-N 2.69Å; N82-G100 PolarHBondContact ND2-O 2.9Å; N82-T103 HydrophobicContact CB-CG2 3.97Å
83Q97.3Very high94.8Very high152 Ų15258.7 Ų58.771%0.7136%0.362SS*.Hα-helixtrans-68.8-31.3-175.565.1-173-7.400113.5K86 G87Q83-K86 PolarHBondContact O-N 2.76Å; Q83-G87 PolarHBondContact O-N 2.68Å
84D98.1Very high94.8Very high55 Ų5554.4 Ų54.429%0.29435%0.345SS..Hα-helixtrans-70.4-38.3-176.6-62.1-42.2000110.7N82 N96 N99 T103N82-D84 PolarHBondContact O-N 3.2Å; N82-D84 WeakPolarHBondContact OD1-CB 3.35Å; N82-D84 PolarHBondContact OD1-N 3.09Å; D84-N96 WeakPolarHBondContact O-CA 3.23Å; D84-N96 VanDerWaalsContact O-CB 3.3Å; D84-N96 WeakPolarHBondContact O-CB 3.29Å; D84-N96 PolarHBondContact O-ND2 2.78Å; D84-N99 HydrophobicContact CB-CB 4.01Å; D84-T103 WeakPolarHBondContact OD2-CB 3.18Å; D84-T103 WeakPolarHBondContact OD2-CG2 3.35Å; D84-T103 PolarHBondContact OD2-OG1 3.49Å
85F98.2Very high94.7Very high4 Ų457 Ų572%0.01836%0.357CS..Hα-helixtrans-66.9-48.1173-167.9-85.3000112.3L50 W53 I79 T80 N82 G87 P92 N96 V97 L133L50-F85 HydrophobicContact CD1-CE1 3.7Å; L50-F85 HydrophobicContact CD1-CZ 4.12Å; W53-F85 HydrophobicContact CZ3-CZ 4.48Å; I79-F85 HydrophobicContact CG2-CD2 3.96Å; I79-F85 HydrophobicContact CG2-CE2 4.16Å; I79-F85 WeakPolarHBondContact O-CB 3.48Å; I79-F85 WeakPolarHBondContact O-CD2 3.3Å; I79-F85 VanDerWaalsContact O-CG 3.32Å; I79-F85 WeakPolarHBondContact O-CG 3.27Å; T80-F85 HydrophobicContact CG2-CE1 4.14Å; T80-F85 HydrophobicContact CG2-CE2 4.37Å; T80-F85 HydrophobicContact CG2-CZ 4.06Å; N82-F85 PolarHBondContact OD1-N 3.47Å; F85-G87 VanDerWaalsContact C-N 3.26Å; F85-G87 PolarHBondContact O-N 2.89Å; F85-P92 HydrophobicContact CD1-CG 4.26Å; F85-P92 HydrophobicContact CE1-CB 4.48Å; F85-P92 HydrophobicContact CE1-CG 3.75Å; F85-P92 HydrophobicContact CZ-CG 4.24Å; F85-N96 WeakPolarHBondContact CA-O 3.45Å; F85-V97 HydrophobicContact CE2-CB 4.44Å; F85-V97 HydrophobicContact CE2-CG1 4.22Å; F85-V97 HydrophobicContact CE2-CG2 4.19Å; F85-L133 HydrophobicContact CE2-CD2 3.81Å; F85-L133 HydrophobicContact CZ-CD2 4.2Å
86K95.7Very high94.7Very high112 Ų11258.9 Ų58.949%0.48737%0.368SS..Hα-helixtrans-64.4-32.6-178-74.6171.3174.9163.30112.3N81 N82 Q83N81-K86 WeakPolarHBondContact O-CE 3.27Å; N81-K86 PolarHBondContact O-NZ 3.49Å; N82-K86 WeakPolarHBondContact O-CG 3.23Å; N82-K86 PolarHBondContact O-N 2.69Å; Q83-K86 PolarHBondContact O-N 2.76Å
87G90.5Very high94.7Very high31 Ų3158 Ų5832%0.3236%0.363SS..  trans59.9-157.9-173.800000112.1Q83 F85 N96Q83-G87 PolarHBondContact O-N 2.68Å; F85-G87 VanDerWaalsContact C-N 3.26Å; F85-G87 PolarHBondContact O-N 2.89Å; G87-N96 WeakPolarHBondContact CA-ND2 3.43Å
88S79.6Confident94.7Very high131 Ų13157.3 Ų57.392%0.91636%0.356SS*.SBendtrans-107.5-15.4-174.344.60000114.7
89A78.4Confident94.7Very high89 Ų8958.5 Ų58.574%0.73636%0.364SS*.SBendtrans-167.4142.3174.400000112.9
90G85.1Confident94.7Very high75 Ų7558.4 Ų58.477%0.77336%0.364SS*.SBendtrans76.5-153.816600000114.9
91A90.4Very high94.7Very high92 Ų9258 Ų5876%0.7636%0.361SS*.SBendtrans-71.3142.1174.400000110.3S93A91-S93 PolarHBondContact O-N 3.5Å
92P96Very high94.8Very high25 Ų2558.6 Ų58.616%0.16236%0.358CS..PPolyproline II helixtrans-57133.5179.3-2533.9000112.2F85 N96 V97F85-P92 HydrophobicContact CD1-CG 4.26Å; F85-P92 HydrophobicContact CE1-CB 4.48Å; F85-P92 HydrophobicContact CE1-CG 3.75Å; F85-P92 HydrophobicContact CZ-CG 4.24Å; P92-N96 HydrophobicContact CB-CB 4.1Å; P92-V97 HydrophobicContact CB-CG2 3.8Å
93S96.7Very high94.8Very high54 Ų5459.1 Ų59.138%0.37836%0.361SS..PPolyproline II helixtrans-71.6164.4167.971.70000111.1A91 E95 N96 V97A91-S93 PolarHBondContact O-N 3.5Å; S93-E95 PolarHBondContact O-N 3.41Å; S93-N96 WeakPolarHBondContact CB-OD1 3Å; S93-N96 PolarHBondContact N-OD1 3.32Å; S93-N96 WeakPolarHBondContact O-CB 3.48Å; S93-N96 PolarHBondContact O-N 2.76Å; S93-N96 VanDerWaalsContact OG-CG 3.32Å; S93-N96 PolarHBondContact OG-N 2.98Å; S93-N96 VanDerWaalsContact OG-N 3.15Å; S93-N96 PolarHBondContact OG-OD1 3.24Å; S93-V97 WeakPolarHBondContact O-CG2 3.31Å; S93-V97 PolarHBondContact O-N 3.19Å
94V97.9Very high94.9Very high44 Ų4451.9 Ų51.927%0.26733%0.327SS..Hα-helixtrans-51.5-41.1172.8169.70000111.4V97 K98 Y140 D223V94-V97 PolarHBondContact O-N 3.48Å; V94-K98 HydrophobicContact CG1-CD 4.23Å; V94-K98 WeakPolarHBondContact O-CG 3.39Å; V94-K98 PolarHBondContact O-N 3.08Å; V94-Y140 HydrophobicContact CG1-CE1 4.26Å; V94-Y140 HydrophobicContact CG2-CE1 4.44Å; V94-D223 HydrophobicContact CG1-CB 4.14Å
95E98Very high94.9Very high110 Ų11049.3 Ų49.351%0.51431%0.314SS..Hα-helixtrans-70.3-37.5179.7-169.458.2-155.600112.2S93 V97 K98 N99S93-E95 PolarHBondContact O-N 3.41Å; E95-V97 VanDerWaalsContact C-N 3.33Å; E95-K98 PolarHBondContact O-N 3.17Å; E95-N99 WeakPolarHBondContact CG-ND2 3.49Å; E95-N99 WeakPolarHBondContact O-CB 3.27Å; E95-N99 PolarHBondContact O-N 3.28Å; E95-N99 PolarHBondContact O-ND2 3.08Å; E95-N99 VanDerWaalsContact O-ND2 3.14Å; E95-N99 PolarHBondContact OE1-ND2 3.45Å
96N98.3Very high95Very high44 Ų4451 Ų5124%0.23532%0.322CS..Hα-helixtrans-62.1-43172.4-68.5120.3000111.3D84 F85 G87 P92 S93 G100D84-N96 WeakPolarHBondContact O-CA 3.23Å; D84-N96 VanDerWaalsContact O-CB 3.3Å; D84-N96 WeakPolarHBondContact O-CB 3.29Å; D84-N96 PolarHBondContact O-ND2 2.78Å; F85-N96 WeakPolarHBondContact CA-O 3.45Å; G87-N96 WeakPolarHBondContact CA-ND2 3.43Å; P92-N96 HydrophobicContact CB-CB 4.1Å; S93-N96 WeakPolarHBondContact CB-OD1 3Å; S93-N96 PolarHBondContact N-OD1 3.32Å; S93-N96 WeakPolarHBondContact O-CB 3.48Å; S93-N96 PolarHBondContact O-N 2.76Å; S93-N96 VanDerWaalsContact OG-CG 3.32Å; S93-N96 PolarHBondContact OG-N 2.98Å; S93-N96 VanDerWaalsContact OG-N 3.15Å; S93-N96 PolarHBondContact OG-OD1 3.24Å; N96-G100 WeakPolarHBondContact O-CA 3.41Å; N96-G100 PolarHBondContact O-N 2.67Å
97V98.6Very high95.1Very high0 Ų049.8 Ų49.80%032%0.318CS..Hα-helixtrans-63.6-49.2178.5177.10000110.7W53 F85 P92 S93 V94 E95 G100 I101 L133 Y140W53-V97 HydrophobicContact CH2-CG2 3.77Å; W53-V97 HydrophobicContact CZ3-CG2 4.22Å; F85-V97 HydrophobicContact CE2-CB 4.44Å; F85-V97 HydrophobicContact CE2-CG1 4.22Å; F85-V97 HydrophobicContact CE2-CG2 4.19Å; P92-V97 HydrophobicContact CB-CG2 3.8Å; S93-V97 WeakPolarHBondContact O-CG2 3.31Å; S93-V97 PolarHBondContact O-N 3.19Å; V94-V97 PolarHBondContact O-N 3.48Å; E95-V97 VanDerWaalsContact C-N 3.33Å; V97-G100 PolarHBondContact O-N 3.13Å; V97-I101 HydrophobicContact CG1-CD1 3.63Å; V97-I101 HydrophobicContact CG1-CG1 4.43Å; V97-I101 WeakPolarHBondContact O-CB 3.3Å; V97-I101 WeakPolarHBondContact O-CD1 3.42Å; V97-I101 VanDerWaalsContact O-CG1 3.23Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.19Å; V97-L133 HydrophobicContact CG1-CD2 3.88Å; V97-Y140 HydrophobicContact CB-CD1 4.32Å; V97-Y140 HydrophobicContact CB-CE1 3.95Å; V97-Y140 HydrophobicContact CB-CE2 4.31Å; V97-Y140 HydrophobicContact CG1-CD1 3.69Å; V97-Y140 HydrophobicContact CG1-CD2 3.71Å; V97-Y140 HydrophobicContact CG1-CE1 3.78Å; V97-Y140 HydrophobicContact CG1-CE2 3.8Å; V97-Y140 HydrophobicContact CG1-CG 3.67Å; V97-Y140 HydrophobicContact CG2-CE1 4.45Å; V97-Y140 HydrophobicContact CG2-CE2 4.15Å
98K98.8Very high95.5Very high55 Ų5548.3 Ų48.324%0.23930%0.303CS..Hα-helixtrans-60.8-48.3179.6-72.5-178-179.4170.60112.1V94 E95 I101 R102 V221 D223V94-K98 HydrophobicContact CG1-CD 4.23Å; V94-K98 WeakPolarHBondContact O-CG 3.39Å; V94-K98 PolarHBondContact O-N 3.08Å; E95-K98 PolarHBondContact O-N 3.17Å; K98-I101 PolarHBondContact O-N 3.43Å; K98-R102 PolarHBondContact O-N 3.01Å; K98-V221 HydrophobicContact CG-CB 4.24Å; K98-V221 HydrophobicContact CG-CG1 3.89Å; K98-D223 WeakPolarHBondContact CE-OD2 3.45Å; K98-D223 IonicContact NZ-OD2 2.8Å; K98-D223 PolarHBondContact NZ-OD2 3.2Å
99N98.7Very high96.4Very high60 Ų6042.4 Ų42.432%0.32126%0.262SS..Hα-helixtrans-67.6-40178-70.8-36.8000112.1D84 E95 I101 R102 T103D84-N99 HydrophobicContact CB-CB 4.01Å; E95-N99 WeakPolarHBondContact CG-ND2 3.49Å; E95-N99 WeakPolarHBondContact O-CB 3.27Å; E95-N99 PolarHBondContact O-N 3.28Å; E95-N99 PolarHBondContact O-ND2 3.08Å; E95-N99 VanDerWaalsContact O-ND2 3.14Å; E95-N99 PolarHBondContact OE1-ND2 3.45Å; N99-I101 VanDerWaalsContact C-N 3.34Å; N99-I101 PolarHBondContact O-N 2.69Å; N99-R102 PolarHBondContact O-N 3.43Å; N99-T103 WeakPolarHBondContact O-CB 3.32Å; N99-T103 PolarHBondContact O-N 3.16Å; N99-T103 PolarHBondContact O-OG1 2.8Å
100G98.7Very high97.4Very high0 Ų042.9 Ų42.90%025%0.249CC..Hα-helixtrans-61-40.2175.600000113.2N82 N96 V97 G104N82-G100 PolarHBondContact ND2-O 2.9Å; N96-G100 WeakPolarHBondContact O-CA 3.41Å; N96-G100 PolarHBondContact O-N 2.67Å; V97-G100 PolarHBondContact O-N 3.13Å; G100-G104 PolarHBondContact O-N 3.14Å
101I98.9Very high98Very high0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-64-50.9172.9-69.3158.4000110.1I79 V97 K98 N99 T103 G104 F105 L133 I142 P219 V221I79-I101 HydrophobicContact CD1-CG1 4.41Å; I79-I101 HydrophobicContact CD1-CG2 4.41Å; I79-I101 HydrophobicContact CG2-CB 4.4Å; I79-I101 HydrophobicContact CG2-CG1 3.66Å; V97-I101 HydrophobicContact CG1-CD1 3.63Å; V97-I101 HydrophobicContact CG1-CG1 4.43Å; V97-I101 WeakPolarHBondContact O-CB 3.3Å; V97-I101 WeakPolarHBondContact O-CD1 3.42Å; V97-I101 VanDerWaalsContact O-CG1 3.23Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.19Å; K98-I101 PolarHBondContact O-N 3.43Å; N99-I101 VanDerWaalsContact C-N 3.34Å; N99-I101 PolarHBondContact O-N 2.69Å; I101-T103 PolarHBondContact O-N 3.06Å; I101-G104 PolarHBondContact O-N 2.88Å; I101-F105 HydrophobicContact CG2-CD2 4.01Å; I101-F105 HydrophobicContact CG2-CE2 3.95Å; I101-F105 VanDerWaalsContact O-CD2 3.31Å; I101-F105 WeakPolarHBondContact O-CD2 3.39Å; I101-F105 PolarHBondContact O-N 3.16Å; I101-L133 HydrophobicContact CD1-CD2 4.42Å; I101-I142 HydrophobicContact CD1-CD1 3.62Å; I101-I142 HydrophobicContact CD1-CG1 3.92Å; I101-I142 HydrophobicContact CG1-CD1 3.93Å; I101-I142 HydrophobicContact CG2-CD1 3.94Å; I101-I142 HydrophobicContact CG2-CG1 4.09Å; I101-I142 HydrophobicContact CG2-CG2 3.76Å; I101-P219 HydrophobicContact CG2-CB 4.48Å; I101-P219 HydrophobicContact CG2-CG 4Å; I101-V221 HydrophobicContact CB-CG2 4.02Å; I101-V221 HydrophobicContact CD1-CG1 3.76Å; I101-V221 HydrophobicContact CD1-CG2 4.35Å; I101-V221 HydrophobicContact CG2-CG2 3.53Å
102R98.9Very high98.4Very high89 Ų8939.2 Ų39.234%0.33620%0.195SC..Hα-helixtrans-54.9-51.7177.9-177.5-176.6179.8-81.2-6.4111.6K98 N99 G104 F105 L106 E218K98-R102 PolarHBondContact O-N 3.01Å; N99-R102 PolarHBondContact O-N 3.43Å; R102-G104 PolarHBondContact O-N 3.27Å; R102-F105 PolarHBondContact O-N 2.89Å; R102-L106 WeakPolarHBondContact O-CG 3.47Å; R102-L106 PolarHBondContact O-N 2.91Å; R102-L106 VanDerWaalsContact O-N 3.11Å; R102-E218 HydrophobicContact CG-CG 4.43Å; R102-E218 IonicContact CZ-OE1 3.5Å; R102-E218 IonicContact NE-OE1 3.72Å; R102-E218 PolarHBondContact NE-OE1 3.33Å; R102-E218 IonicContact NH2-OE1 2.76Å; R102-E218 PolarHBondContact NH2-OE1 3.1Å
103T98.9Very high98.5Very high19 Ų1939.8 Ų39.812%0.11720%0.195CC..Hα-helixtrans-60.8-44179-66.30000111.1N82 D84 N99 I101 F105 L106 E107N82-T103 HydrophobicContact CB-CG2 3.97Å; D84-T103 WeakPolarHBondContact OD2-CB 3.18Å; D84-T103 WeakPolarHBondContact OD2-CG2 3.35Å; D84-T103 PolarHBondContact OD2-OG1 3.49Å; N99-T103 WeakPolarHBondContact O-CB 3.32Å; N99-T103 PolarHBondContact O-N 3.16Å; N99-T103 PolarHBondContact O-OG1 2.8Å; I101-T103 PolarHBondContact O-N 3.06Å; T103-F105 VanDerWaalsContact C-N 3.31Å; T103-F105 PolarHBondContact O-N 3.25Å; T103-L106 PolarHBondContact O-N 3.33Å; T103-L106 VanDerWaalsContact O-N 3.17Å; T103-E107 HydrophobicContact CG2-CG 3.98Å; T103-E107 WeakPolarHBondContact CG2-OE1 3.47Å; T103-E107 WeakPolarHBondContact O-CB 3.46Å; T103-E107 WeakPolarHBondContact O-CG 3.27Å; T103-E107 PolarHBondContact O-N 3.35Å
104G98.9Very high98.5Very high0 Ų039.2 Ų39.20%019%0.188CC..Hα-helixtrans-58-40.2176.800000113.6H78 G100 I101 R102 I108H78-G104 WeakPolarHBondContact O-CA 3.42Å; G100-G104 PolarHBondContact O-N 3.14Å; I101-G104 PolarHBondContact O-N 2.88Å; R102-G104 PolarHBondContact O-N 3.27Å; G104-I108 WeakPolarHBondContact O-CB 3.44Å; G104-I108 VanDerWaalsContact O-CG2 3.3Å; G104-I108 WeakPolarHBondContact O-CG2 3.34Å; G104-I108 PolarHBondContact O-N 3.49Å
105F98.9Very high98.3Very high2 Ų239.5 Ų39.51%0.00919%0.187CC..Hα-helixtrans-67-43175.1-90.1-107.8000112.9L75 I79 I101 R102 T103 I108 D109 A129 I142 C144 L197 P219L75-F105 HydrophobicContact CD1-CD2 3.81Å; L75-F105 HydrophobicContact CD1-CE2 3.85Å; L75-F105 HydrophobicContact CD1-CG 4.24Å; L75-F105 HydrophobicContact CD1-CZ 4.28Å; L75-F105 HydrophobicContact CD2-CE1 4.38Å; L75-F105 HydrophobicContact CD2-CE2 3.81Å; L75-F105 HydrophobicContact CD2-CZ 3.7Å; L75-F105 HydrophobicContact CG-CE2 4.29Å; I79-F105 HydrophobicContact CD1-CD2 4.34Å; I79-F105 HydrophobicContact CD1-CE2 4.03Å; I101-F105 HydrophobicContact CG2-CD2 4.01Å; I101-F105 HydrophobicContact CG2-CE2 3.95Å; I101-F105 VanDerWaalsContact O-CD2 3.31Å; I101-F105 WeakPolarHBondContact O-CD2 3.39Å; I101-F105 PolarHBondContact O-N 3.16Å; R102-F105 PolarHBondContact O-N 2.89Å; T103-F105 VanDerWaalsContact C-N 3.31Å; T103-F105 PolarHBondContact O-N 3.25Å; F105-I108 WeakPolarHBondContact O-CG2 3.2Å; F105-D109 WeakPolarHBondContact O-CB 3.42Å; F105-D109 PolarHBondContact O-N 3Å; F105-A129 HydrophobicContact CE1-CB 3.9Å; F105-A129 HydrophobicContact CZ-CB 3.96Å; F105-I142 HydrophobicContact CE2-CG2 3.62Å; F105-I142 HydrophobicContact CZ-CG2 3.68Å; F105-C144 HydrophobicContact CD1-CB 4.15Å; F105-C144 HydrophobicContact CE1-CB 3.6Å; F105-C144 HydrophobicContact CZ-CB 4.46Å; F105-L197 HydrophobicContact CD1-CD1 4.06Å; F105-L197 HydrophobicContact CD1-CD2 3.98Å; F105-L197 HydrophobicContact CD1-CG 4.14Å; F105-L197 HydrophobicContact CE1-CD1 4.1Å; F105-L197 HydrophobicContact CE1-CG 4.45Å; F105-L197 WeakPolarHBondContact O-CD2 3.15Å; F105-P219 HydrophobicContact CB-CG 3.91Å; F105-P219 HydrophobicContact CD1-CB 4.02Å; F105-P219 HydrophobicContact CD1-CG 4.11Å; F105-P219 HydrophobicContact CD2-CB 4.05Å; F105-P219 HydrophobicContact CD2-CG 3.67Å; F105-P219 HydrophobicContact CE1-CB 4.05Å; F105-P219 HydrophobicContact CE2-CB 4.06Å; F105-P219 HydrophobicContact CE2-CG 4.15Å; F105-P219 HydrophobicContact CG-CB 4.01Å; F105-P219 HydrophobicContact CG-CG 3.63Å; F105-P219 HydrophobicContact CZ-CB 4.06Å
106L98.9Very high98Very high38 Ų3835.6 Ų35.620%0.19917%0.172CC..Hα-helixtrans-67.2-40.9177.8-60.1-174.3000111.6R102 T103 E110 T211 P217R102-L106 WeakPolarHBondContact O-CG 3.47Å; R102-L106 PolarHBondContact O-N 2.91Å; R102-L106 VanDerWaalsContact O-N 3.11Å; T103-L106 PolarHBondContact O-N 3.33Å; T103-L106 VanDerWaalsContact O-N 3.17Å; L106-E110 PolarHBondContact O-N 3.45Å; L106-E110 VanDerWaalsContact O-N 3.12Å; L106-T211 HydrophobicContact CD1-CG2 4.33Å; L106-T211 HydrophobicContact CD2-CG2 3.77Å; L106-P217 HydrophobicContact CD2-CB 4.4Å; L106-P217 HydrophobicContact CD2-CG 3.71Å
107E98.9Very high97.6Very high87 Ų8739.4 Ų39.441%0.40719%0.189SC..Hα-helixtrans-68.7-43.7-179.7-73.7-177.8168.400112.2T103 D109 E110 H111T103-E107 HydrophobicContact CG2-CG 3.98Å; T103-E107 WeakPolarHBondContact CG2-OE1 3.47Å; T103-E107 WeakPolarHBondContact O-CB 3.46Å; T103-E107 WeakPolarHBondContact O-CG 3.27Å; T103-E107 PolarHBondContact O-N 3.35Å; E107-D109 VanDerWaalsContact C-N 3.35Å; E107-E110 PolarHBondContact O-N 2.85Å; E107-H111 WeakPolarHBondContact O-CB 3.38Å; E107-H111 PolarHBondContact O-N 3.03Å
108I98.8Very high97.2Very high0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-66.8-37.4177.8-163.1179000111.7Y70 H74 L75 H78 G104 F105 H111 M112 L197Y70-I108 HydrophobicContact CD1-CD1 3.92Å; Y70-I108 HydrophobicContact CD1-CG1 4.06Å; Y70-I108 HydrophobicContact CE1-CD1 3.93Å; Y70-I108 HydrophobicContact CE1-CG1 3.75Å; H74-I108 HydrophobicContact CB-CD1 4.23Å; L75-I108 HydrophobicContact CB-CD1 4.13Å; L75-I108 HydrophobicContact CD1-CD1 4.4Å; L75-I108 HydrophobicContact CD1-CG2 3.87Å; H78-I108 HydrophobicContact CB-CB 4.12Å; G104-I108 WeakPolarHBondContact O-CB 3.44Å; G104-I108 VanDerWaalsContact O-CG2 3.3Å; G104-I108 WeakPolarHBondContact O-CG2 3.34Å; G104-I108 PolarHBondContact O-N 3.49Å; F105-I108 WeakPolarHBondContact O-CG2 3.2Å; I108-H111 PolarHBondContact O-N 2.84Å; I108-M112 HydrophobicContact CG1-CE 4.2Å; I108-M112 WeakPolarHBondContact O-CB 3.42Å; I108-M112 WeakPolarHBondContact O-CG 3.5Å; I108-M112 PolarHBondContact O-N 3.2Å; I108-L197 HydrophobicContact CG2-CD1 4.1Å; I108-L197 HydrophobicContact CG2-CD2 3.91Å
109D98.8Very high96.7Very high8 Ų852.3 Ų52.34%0.04325%0.245CC..Hα-helixtrans-62.5-47.7177.3-162.456.8000111.1F105 E107 M112 R113 L197 G198 F200 K203 P217F105-D109 WeakPolarHBondContact O-CB 3.42Å; F105-D109 PolarHBondContact O-N 3Å; E107-D109 VanDerWaalsContact C-N 3.35Å; D109-M112 PolarHBondContact O-N 3.47Å; D109-R113 PolarHBondContact O-N 3.29Å; D109-L197 HydrophobicContact CB-CD2 3.76Å; D109-L197 WeakPolarHBondContact OD1-CA 3.41Å; D109-G198 PolarHBondContact OD1-N 3.4Å; D109-F200 WeakPolarHBondContact O-CE1 3.45Å; D109-K203 IonicContact OD1-NZ 2.78Å; D109-K203 PolarHBondContact OD1-NZ 2.93Å; D109-K203 WeakPolarHBondContact OD2-CD 3.25Å; D109-K203 IonicContact OD2-NZ 3.14Å; D109-K203 PolarHBondContact OD2-NZ 3.26Å; D109-P217 HydrophobicContact CB-CB 3.91Å; D109-P217 HydrophobicContact CB-CG 4.36Å
110E98.5Very high96Very high99 Ų9957.7 Ų57.746%0.46327%0.268SS..Hα-helixtrans-65.4-40.7176-179.757.3-162.700111.8L106 E107 M112 R113 V114L106-E110 PolarHBondContact O-N 3.45Å; L106-E110 VanDerWaalsContact O-N 3.12Å; E107-E110 PolarHBondContact O-N 2.85Å; E110-M112 VanDerWaalsContact C-N 3.34Å; E110-M112 PolarHBondContact O-N 3.33Å; E110-R113 WeakPolarHBondContact O-CB 3.42Å; E110-R113 PolarHBondContact O-N 3.27Å; E110-R113 IonicContact OE2-NE 3.36Å; E110-V114 WeakPolarHBondContact O-CG2 3.28Å; E110-V114 PolarHBondContact O-N 2.75Å; E110-V114 WeakPolarHBondContact OE1-CG2 3.46Å
111H98.2Very high94.9Very high77 Ų7758.8 Ų58.836%0.35628%0.279SS..Hα-helixtrans-60.3-44.8177.3-177.1-158.9000111.5Y70 H78 E107 I108 V114 M115Y70-H111 PolarHBondContact OH-CE1 2.95Å; Y70-H111 PolarHBondContact OH-ND1 3.12Å; Y70-H111 VanDerWaalsContact OH-ND1 3.12Å; H78-H111 AromaticContact CE1-ND1 3.74Å; H78-H111 AromaticContact NE2-CG 3.97Å; H78-H111 AromaticContact NE2-ND1 3.13Å; H78-H111 PolarHBondContact NE2-ND1 2.98Å; H78-H111 VanDerWaalsContact NE2-ND1 3.13Å; E107-H111 WeakPolarHBondContact O-CB 3.38Å; E107-H111 PolarHBondContact O-N 3.03Å; I108-H111 PolarHBondContact O-N 2.84Å; H111-V114 PolarHBondContact O-N 2.64Å; H111-M115 WeakPolarHBondContact O-CG 3.25Å; H111-M115 PolarHBondContact O-N 3.29Å
112M98.2Very high94.4Very high12 Ų1263.6 Ų63.66%0.05932%0.319CS..Hα-helixtrans-63.7-39.9174.7-75.3-172-6800112.4V67 Y70 I108 D109 E110 M115 S116 L197 F200V67-M112 HydrophobicContact CB-SD 4.43Å; V67-M112 HydrophobicContact CG1-CE 3.97Å; V67-M112 HydrophobicContact CG1-SD 4.04Å; V67-M112 HydrophobicContact CG2-SD 4.27Å; Y70-M112 HydrophobicContact CD1-CG 3.4Å; Y70-M112 HydrophobicContact CD1-SD 3.45Å; Y70-M112 WeakPolarHBondContact CD1-SD 3.48Å; Y70-M112 HydrophobicContact CE1-CG 3.68Å; Y70-M112 HydrophobicContact CE1-SD 4.3Å; Y70-M112 HydrophobicContact CG-CG 4.14Å; Y70-M112 HydrophobicContact CG-SD 4.03Å; I108-M112 HydrophobicContact CG1-CE 4.2Å; I108-M112 WeakPolarHBondContact O-CB 3.42Å; I108-M112 WeakPolarHBondContact O-CG 3.5Å; I108-M112 PolarHBondContact O-N 3.2Å; D109-M112 PolarHBondContact O-N 3.47Å; E110-M112 VanDerWaalsContact C-N 3.34Å; E110-M112 PolarHBondContact O-N 3.33Å; M112-M115 HydrophobicContact CG-CE 4.14Å; M112-M115 PolarHBondContact O-N 2.69Å; M112-S116 WeakPolarHBondContact O-CB 3.26Å; M112-S116 PolarHBondContact O-N 2.65Å; M112-L197 HydrophobicContact CE-CB 4.03Å; M112-F200 HydrophobicContact CB-CE2 4.34Å; M112-F200 HydrophobicContact CB-CZ 3.75Å
113R97.4Very high94Very high38 Ų3861 Ų6114%0.14331%0.312CS..Hα-helixtrans-57.5-54174.9-177.1-169.6-66.9-100.25111D109 E110 M115 S116 E117 F200 K203D109-R113 PolarHBondContact O-N 3.29Å; E110-R113 WeakPolarHBondContact O-CB 3.42Å; E110-R113 PolarHBondContact O-N 3.27Å; E110-R113 IonicContact OE2-NE 3.36Å; R113-M115 VanDerWaalsContact C-N 3.28Å; R113-M115 PolarHBondContact O-N 3.39Å; R113-S116 PolarHBondContact O-N 3.05Å; R113-S116 VanDerWaalsContact O-N 3.1Å; R113-E117 WeakPolarHBondContact O-CG 3.19Å; R113-E117 PolarHBondContact O-N 3.47Å; R113-F200 HydrophobicContact CB-CD1 3.88Å; R113-F200 HydrophobicContact CB-CE1 3.66Å; R113-F200 HydrophobicContact CB-CE2 4.34Å; R113-F200 HydrophobicContact CB-CG 4.33Å; R113-F200 HydrophobicContact CB-CZ 3.91Å; R113-F200 HydrophobicContact CG-CD1 4.14Å; R113-F200 HydrophobicContact CG-CE1 4.43Å; R113-F200 HydrophobicContact CG-CG 4.31Å; R113-F200 VanDerWaalsContact N-CZ 3.29Å; R113-K203 PolarHBondContact NH1-O 2.94Å; R113-K203 VanDerWaalsContact NH1-O 3.17Å; R113-K203 PolarHBondContact NH2-O 3.05Å
114V96.8Very high93.9Very high41 Ų4166.2 Ų66.225%0.24833%0.329CS..Hα-helixtrans-60.7-38.6-178.8172.60000111.3E110 H111 K118E110-V114 WeakPolarHBondContact O-CG2 3.28Å; E110-V114 PolarHBondContact O-N 2.75Å; E110-V114 WeakPolarHBondContact OE1-CG2 3.46Å; H111-V114 PolarHBondContact O-N 2.64Å; V114-K118 HydrophobicContact CG1-CD 4.07Å; V114-K118 WeakPolarHBondContact O-CB 3.3Å; V114-K118 VanDerWaalsContact O-CG 3.25Å; V114-K118 WeakPolarHBondContact O-CG 3.44Å; V114-K118 PolarHBondContact O-N 3.13Å; V114-K118 VanDerWaalsContact O-N 3.11Å
115M93.8Very high93.8Very high50 Ų5066.3 Ų66.325%0.24633%0.33CS..Hα-helixtrans-65.3-42.8174.9-75.6-165.8-65.400112.5Y70 H111 M112 R113 K118 K119Y70-M115 HydrophobicContact CD2-CE 4.28Å; Y70-M115 HydrophobicContact CE1-CE 3.91Å; Y70-M115 HydrophobicContact CE2-CE 3.65Å; Y70-M115 VanDerWaalsContact CZ-CE 3.43Å; Y70-M115 WeakPolarHBondContact OH-CE 3.39Å; H111-M115 WeakPolarHBondContact O-CG 3.25Å; H111-M115 PolarHBondContact O-N 3.29Å; M112-M115 HydrophobicContact CG-CE 4.14Å; M112-M115 PolarHBondContact O-N 2.69Å; R113-M115 VanDerWaalsContact C-N 3.28Å; R113-M115 PolarHBondContact O-N 3.39Å; M115-K118 PolarHBondContact O-N 2.97Å; M115-K119 WeakPolarHBondContact O-CB 3.25Å; M115-K119 WeakPolarHBondContact O-CG 3.43Å; M115-K119 PolarHBondContact O-N 3.12Å
116S92Very high93.8Very high28 Ų2866.2 Ų66.220%0.19633%0.33CS..Hα-helixtrans-64.3-44.8179.2-171.70000111.6M112 R113 K118 K119 H120 G121M112-S116 WeakPolarHBondContact O-CB 3.26Å; M112-S116 PolarHBondContact O-N 2.65Å; R113-S116 PolarHBondContact O-N 3.05Å; R113-S116 VanDerWaalsContact O-N 3.1Å; S116-K118 PolarHBondContact O-N 3.3Å; S116-K119 PolarHBondContact O-N 3.36Å; S116-H120 PolarHBondContact O-N 3.36Å; S116-G121 PolarHBondContact O-N 3.38Å
117E91.2Very high93.8Very high125 Ų12564.5 Ų64.558%0.58432%0.321SS*.Hα-helixtrans-60.7-45.8176-72.1179.1169.300112R113 K119 H120R113-E117 WeakPolarHBondContact O-CG 3.19Å; R113-E117 PolarHBondContact O-N 3.47Å; E117-K119 VanDerWaalsContact C-N 3.35Å; E117-K119 PolarHBondContact O-N 3.42Å; E117-H120 PolarHBondContact O-N 3.36Å
118K89.7Confident93.8Very high159 Ų15960.4 Ų60.469%0.69130%0.302SS*.Hα-helixtrans-62.4-40.6178.4-76.7172.5-178.5171.70112.7V114 M115 S116 H120V114-K118 HydrophobicContact CG1-CD 4.07Å; V114-K118 WeakPolarHBondContact O-CB 3.3Å; V114-K118 VanDerWaalsContact O-CG 3.25Å; V114-K118 WeakPolarHBondContact O-CG 3.44Å; V114-K118 PolarHBondContact O-N 3.13Å; V114-K118 VanDerWaalsContact O-N 3.11Å; M115-K118 PolarHBondContact O-N 2.97Å; S116-K118 PolarHBondContact O-N 3.3Å; K118-H120 VanDerWaalsContact C-N 3.3Å; K118-H120 PolarHBondContact O-ND1 2.93Å
119K88.2Confident93.8Very high167 Ų16760.5 Ų60.573%0.72630%0.303SS*.Hα-helixtrans-85.8-1-177.3-69.6-178.5179.3175.90113.3M115 S116 E117 G121M115-K119 WeakPolarHBondContact O-CB 3.25Å; M115-K119 WeakPolarHBondContact O-CG 3.43Å; M115-K119 PolarHBondContact O-N 3.12Å; S116-K119 PolarHBondContact O-N 3.36Å; E117-K119 VanDerWaalsContact C-N 3.35Å; E117-K119 PolarHBondContact O-N 3.42Å; K119-G121 PolarHBondContact O-N 3.18Å
120H82.9Confident93.8Very high172 Ų17260.1 Ų60.180%0.79630%0.301SS*.THydrogen-bonded Turntrans49.646.5-170.2-58.374.9000111S116 E117 K118 A122S116-H120 PolarHBondContact O-N 3.36Å; E117-H120 PolarHBondContact O-N 3.36Å; K118-H120 VanDerWaalsContact C-N 3.3Å; K118-H120 PolarHBondContact O-ND1 2.93Å; H120-A122 PolarHBondContact O-N 3.18Å
121G76.7Confident93.8Very high24 Ų2455.6 Ų55.625%0.24728%0.28CS..  trans-57.9124.9-176.800000111.3S116 K119 D123 R124S116-G121 PolarHBondContact O-N 3.38Å; K119-G121 PolarHBondContact O-N 3.18Å; G121-D123 PolarHBondContact O-N 3.27Å; G121-R124 PolarHBondContact O-NH1 3.1Å
122A88.8Confident93.9Very high101 Ų10151.9 Ų51.984%0.83526%0.263SS*.  trans-76-12.9173.200000112.5H120H120-A122 PolarHBondContact O-N 3.18Å
123D89.8Confident93.9Very high35 Ų3551.4 Ų51.419%0.18726%0.261CS..  trans-71.3136.4-179-169.5-91000111.6Q66 G121 S125Q66-D123 PolarHBondContact NE2-OD2 3.36Å; G121-D123 PolarHBondContact O-N 3.27Å; D123-S125 WeakPolarHBondContact OD1-CB 3.22Å; D123-S125 PolarHBondContact OD1-N 2.99Å; D123-S125 PolarHBondContact OD1-OG 2.66Å
124R95.5Very high94Very high127 Ų12749.6 Ų49.648%0.47925%0.254SS..  trans-123.625.6176.9-67.8-59.5-164.2-115.210.3110.8G121 D201G121-R124 PolarHBondContact O-NH1 3.1Å; R124-D201 WeakPolarHBondContact CD-OD2 3.39Å; R124-D201 IonicContact CZ-OD1 3.11Å; R124-D201 IonicContact CZ-OD2 3.49Å; R124-D201 VanDerWaalsContact NE-CG 3.35Å; R124-D201 IonicContact NE-OD1 3.67Å; R124-D201 PolarHBondContact NE-OD1 3.34Å; R124-D201 VanDerWaalsContact NE-OD1 3.15Å; R124-D201 IonicContact NE-OD2 2.68Å; R124-D201 PolarHBondContact NE-OD2 3.43Å; R124-D201 IonicContact NH2-OD1 2.74Å; R124-D201 PolarHBondContact NH2-OD1 3.42Å
125S97.8Very high94.1Very high3 Ų347.9 Ų47.92%0.02124%0.244CC..  trans-67.6154.9-178.565.20000111.6H62 A63 G64 V67 D123 D199H62-S125 CarbonylContact O-C 3.59Å; H62-S125 WeakPolarHBondContact O-CA 3.44Å; H62-S125 VanDerWaalsContact O-CB 3.28Å; H62-S125 WeakPolarHBondContact O-CB 3.49Å; A63-S125 WeakPolarHBondContact O-CA 3.43Å; A63-S125 WeakPolarHBondContact O-CB 3.37Å; A63-S125 PolarHBondContact O-N 3.45Å; G64-S125 VanDerWaalsContact O-CB 3.25Å; G64-S125 WeakPolarHBondContact O-CB 3.45Å; V67-S125 WeakPolarHBondContact CG2-O 3.49Å; V67-S125 WeakPolarHBondContact CG2-OG 3.45Å; V67-S125 PolarHBondContact N-OG 3.48Å; D123-S125 WeakPolarHBondContact OD1-CB 3.22Å; D123-S125 PolarHBondContact OD1-N 2.99Å; D123-S125 PolarHBondContact OD1-OG 2.66Å; S125-D199 PolarHBondContact O-N 2.9Å; S125-D199 VanDerWaalsContact O-N 3.16Å
126G98.6Very high94.3Very high0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-129.5175.4161.800000109.4H62 L197H62-G126 PolarHBondContact N-O 2.9Å; H62-G126 VanDerWaalsContact NE2-CA 3.33Å; H62-G126 WeakPolarHBondContact NE2-CA 3.29Å; H62-G126 PolarHBondContact O-N 3.07Å; G126-L197 CarbonylContact C-O 3.5Å; G126-L197 WeakPolarHBondContact CA-O 3.45Å
127S98.9Very high94.6Very high1 Ų154.2 Ų54.21%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-151.4142.6172-167.20000111.7D60 A68 A196 L197D60-S127 CarbonylContact O-C 3.42Å; D60-S127 WeakPolarHBondContact O-CA 3.18Å; D60-S127 WeakPolarHBondContact O-CB 3.43Å; D60-S127 PolarHBondContact O-OG 3.1Å; A68-S127 WeakPolarHBondContact CB-OG 3.49Å; S127-A196 WeakPolarHBondContact O-CA 3.36Å; S127-L197 PolarHBondContact N-O 3.48Å; S127-L197 PolarHBondContact O-N 3.41Å
128T98.9Very high94.9Very high1 Ų149.5 Ų49.51%0.00625%0.254CS..  trans-72.3165.6162.575.80000110.2Y59 D60 C144 S147 V193Y59-T128 WeakPolarHBondContact CA-O 3.43Å; D60-T128 HydrophobicContact CB-CG2 4.24Å; D60-T128 WeakPolarHBondContact CB-OG1 3.28Å; D60-T128 PolarHBondContact N-OG1 3.1Å; D60-T128 PolarHBondContact O-N 2.63Å; T128-C144 CarbonylContact C-O 3.58Å; T128-C144 WeakPolarHBondContact CA-O 3.35Å; T128-C144 WeakPolarHBondContact CB-O 3.27Å; T128-S147 PolarHBondContact OG1-OG 3.46Å; T128-V193 HydrophobicContact CG2-CG1 4.23Å
129A98.9Very high95.4Very high3 Ų342 Ų423%0.02522%0.221CC..EExtended strand (participates in β ladder)trans-145.1123.2165.700000109.5V58 Y59 L75 F105 N143 C144V58-A129 WeakPolarHBondContact O-CA 3.35Å; Y59-A129 HydrophobicContact CD1-CB 3.74Å; Y59-A129 HydrophobicContact CE1-CB 3.81Å; L75-A129 HydrophobicContact CD2-CB 4.39Å; F105-A129 HydrophobicContact CE1-CB 3.9Å; F105-A129 HydrophobicContact CZ-CB 3.96Å; A129-N143 CarbonylContact O-C 3.57Å; A129-C144 PolarHBondContact N-O 2.78Å; A129-C144 PolarHBondContact O-N 3.02Å
130V99Very high95.9Very high0 Ų034.2 Ų34.20%019%0.187CC..EExtended strand (participates in β ladder)trans-122.5134.8166.674.20000109.3A57 V58 I142 N143 T161 L236A57-V130 CarbonylContact C-O 3.5Å; A57-V130 WeakPolarHBondContact CA-O 3.45Å; V58-V130 HydrophobicContact CB-CG1 4.11Å; V58-V130 PolarHBondContact N-O 2.84Å; V58-V130 PolarHBondContact O-N 2.78Å; V130-I142 CarbonylContact C-O 3.58Å; V130-I142 WeakPolarHBondContact CA-O 3.25Å; V130-N143 HydrophobicContact CG2-CB 4.43Å; V130-T161 HydrophobicContact CG2-CG2 4.25Å; V130-L236 HydrophobicContact CG1-CB 4.41Å; V130-L236 HydrophobicContact CG2-CD2 4.44Å
131G98.9Very high96.7Very high3 Ų326 Ų263%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-161.1172.7-174.800000114.3F56 I142F56-G131 CarbonylContact O-C 3.5Å; F56-G131 WeakPolarHBondContact O-CA 3.29Å; G131-I142 PolarHBondContact N-O 3.46Å; G131-I142 PolarHBondContact O-N 3.08Å
132V99Very high97.7Very high0 Ų025.1 Ų25.10%014%0.138CC..EExtended strand (participates in β ladder)trans-130.1133.7169-70.70000110.5F55 F56 I134 T139 Y140 F141 I234 L236F55-V132 WeakPolarHBondContact CA-O 3.29Å; F55-V132 WeakPolarHBondContact CD2-O 3.41Å; F56-V132 HydrophobicContact CB-CG2 4.14Å; F56-V132 HydrophobicContact CD2-CG2 4.22Å; F56-V132 PolarHBondContact N-O 3.27Å; F56-V132 PolarHBondContact O-N 3.38Å; V132-I134 HydrophobicContact CB-CG1 4.16Å; V132-I134 HydrophobicContact CG2-CD1 3.93Å; V132-I134 HydrophobicContact CG2-CG1 3.96Å; V132-T139 HydrophobicContact CB-CG2 4.17Å; V132-T139 HydrophobicContact CG1-CG2 3.93Å; V132-Y140 VanDerWaalsContact CA-O 3.26Å; V132-Y140 WeakPolarHBondContact CA-O 3.27Å; V132-F141 HydrophobicContact CG1-CD1 3.5Å; V132-F141 VanDerWaalsContact CG1-CD1 3.5Å; V132-F141 HydrophobicContact CG1-CD2 4.02Å; V132-F141 HydrophobicContact CG1-CE1 3.52Å; V132-F141 HydrophobicContact CG1-CE2 4.04Å; V132-F141 HydrophobicContact CG1-CG 3.76Å; V132-F141 HydrophobicContact CG1-CZ 3.8Å; V132-I234 HydrophobicContact CG1-CD1 4.3Å; V132-I234 HydrophobicContact CG1-CG2 4.17Å; V132-I234 HydrophobicContact CG2-CD1 4.34Å; V132-I234 HydrophobicContact CG2-CG2 4.33Å; V132-L236 HydrophobicContact CG1-CD2 4.3Å; V132-L236 HydrophobicContact CG2-CD1 4.29Å
133L98.9Very high98.2Very high1 Ų120.3 Ų20.31%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-101.2113.4163.3-179.165.7000107.3L46 W53 F55 F85 V97 I101 Y140 I142L46-L133 HydrophobicContact CD1-CD1 3.57Å; W53-L133 HydrophobicContact CE3-CD1 3.85Å; W53-L133 HydrophobicContact CE3-CD2 3.96Å; W53-L133 HydrophobicContact CE3-CG 3.67Å; W53-L133 HydrophobicContact CZ3-CD1 4.41Å; W53-L133 HydrophobicContact CZ3-CD2 3.67Å; W53-L133 HydrophobicContact CZ3-CG 3.77Å; F55-L133 HydrophobicContact CB-CD1 4.15Å; F55-L133 HydrophobicContact CD2-CB 4.21Å; F55-L133 HydrophobicContact CD2-CD1 4.17Å; F85-L133 HydrophobicContact CE2-CD2 3.81Å; F85-L133 HydrophobicContact CZ-CD2 4.2Å; V97-L133 HydrophobicContact CG1-CD2 3.88Å; I101-L133 HydrophobicContact CD1-CD2 4.42Å; L133-Y140 HydrophobicContact CB-CD2 4.49Å; L133-Y140 PolarHBondContact N-O 2.83Å; L133-Y140 WeakPolarHBondContact O-CD2 3.26Å; L133-Y140 PolarHBondContact O-N 2.75Å; L133-I142 HydrophobicContact CB-CD1 4.28Å
134I98.9Very high98.6Very high1 Ų118.7 Ų18.71%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-105.3114.4-174.8-55.1176.1000108.4L22 W53 S54 F56 V132 T139 I234 I289 F291L22-I134 HydrophobicContact CD1-CB 4.46Å; L22-I134 HydrophobicContact CD1-CD1 3.87Å; L22-I134 HydrophobicContact CD1-CG2 4.22Å; W53-I134 CarbonylContact C-O 3.57Å; W53-I134 WeakPolarHBondContact CA-O 3.47Å; S54-I134 PolarHBondContact N-O 3.38Å; S54-I134 PolarHBondContact O-N 3.18Å; F56-I134 HydrophobicContact CD2-CD1 4.22Å; F56-I134 HydrophobicContact CE2-CD1 4.22Å; V132-I134 HydrophobicContact CB-CG1 4.16Å; V132-I134 HydrophobicContact CG2-CD1 3.93Å; V132-I134 HydrophobicContact CG2-CG1 3.96Å; I134-T139 HydrophobicContact CG1-CG2 4.33Å; I134-I234 HydrophobicContact CD1-CD1 4.17Å; I134-I289 HydrophobicContact CD1-CG2 4.23Å; I134-F291 HydrophobicContact CD1-CZ 4.42Å
135S98.7Very high98.8Very high4 Ų412.6 Ų12.63%0.0287%0.067CC..  trans-95.6176.1170.975.50000110.5W53 Q137 H138 R226W53-S135 VanDerWaalsContact CE2-CB 3.48Å; W53-S135 VanDerWaalsContact CH2-CB 3.48Å; W53-S135 VanDerWaalsContact CZ2-CB 3.44Å; S135-Q137 PolarHBondContact O-N 2.99Å; S135-Q137 PolarHBondContact OG-N 3.05Å; S135-H138 PolarHBondContact N-O 3.07Å; S135-H138 WeakPolarHBondContact OG-CA 3.08Å; S135-H138 PolarHBondContact OG-N 2.76Å; S135-H138 PolarHBondContact OG-O 3.42Å; S135-R226 VanDerWaalsContact O-CD 3.29Å; S135-R226 WeakPolarHBondContact O-CD 3.47Å; S135-R226 PolarHBondContact O-NH1 2.79Å
136P98.5Very high98.8Very high70 Ų7012.7 Ų12.746%0.4557%0.068SC..SBendtrans-56.4-29.8173.3-28.837.6000114.5S52S52-P136 VanDerWaalsContact OG-CG 3.29Å; S52-P136 WeakPolarHBondContact OG-CG 3.41Å
137Q98.4Very high98.8Very high141 Ų14112.7 Ų12.766%0.6597%0.068SC*.SBendtrans-119.3-18.6-171.5-68.5-179.7-7.100114.5S135 R226S135-Q137 PolarHBondContact O-N 2.99Å; S135-Q137 PolarHBondContact OG-N 3.05Å; Q137-R226 WeakPolarHBondContact O-CB 3.39Å; Q137-R226 PolarHBondContact O-N 2.83Å
138H98.8Very high98.8Very high27 Ų2714.5 Ų14.513%0.1257%0.074CC..EExtended strand (participates in β ladder)trans-135.6147.7-173.6-55.483.4000111.4S135 Y140 D223 I224S135-H138 PolarHBondContact N-O 3.07Å; S135-H138 WeakPolarHBondContact OG-CA 3.08Å; S135-H138 PolarHBondContact OG-N 2.76Å; S135-H138 PolarHBondContact OG-O 3.42Å; H138-Y140 HydrophobicContact CB-CD2 4.25Å; H138-Y140 HydrophobicContact CB-CE1 4.32Å; H138-Y140 HydrophobicContact CB-CE2 3.6Å; H138-D223 IonicContact CD2-OD1 3.94Å; H138-D223 PolarHBondContact CD2-OD1 2.88Å; H138-I224 CarbonylContact C-O 3.52Å; H138-I224 WeakPolarHBondContact CA-O 3.48Å
139T99Very high98.9Very high0 Ų014.5 Ų14.50%07%0.074CC..EExtended strand (participates in β ladder)trans-108.8115.2164.6-60.70000107.8V132 I134 F141 I224 I234V132-T139 HydrophobicContact CB-CG2 4.17Å; V132-T139 HydrophobicContact CG1-CG2 3.93Å; I134-T139 HydrophobicContact CG1-CG2 4.33Å; T139-F141 HydrophobicContact CG2-CD2 3.83Å; T139-F141 HydrophobicContact CG2-CE2 3.55Å; T139-F141 HydrophobicContact CG2-CZ 4.36Å; T139-I224 PolarHBondContact N-O 2.67Å; T139-I224 PolarHBondContact O-N 3.15Å; T139-I234 HydrophobicContact CG2-CD1 3.69Å
140Y99Very high98.8Very high4 Ų414.3 Ų14.32%0.0167%0.073CC..EExtended strand (participates in β ladder)trans-96.6104.4175.6-57.3-87.1000109.1W53 V94 V97 V132 L133 H138 H222 D223W53-Y140 HydrophobicContact CH2-CE2 4Å; W53-Y140 HydrophobicContact CZ3-CD2 4.25Å; W53-Y140 AromaticContact CZ3-CE2 3.9Å; W53-Y140 HydrophobicContact CZ3-CE2 3.9Å; V94-Y140 HydrophobicContact CG1-CE1 4.26Å; V94-Y140 HydrophobicContact CG2-CE1 4.44Å; V97-Y140 HydrophobicContact CB-CD1 4.32Å; V97-Y140 HydrophobicContact CB-CE1 3.95Å; V97-Y140 HydrophobicContact CB-CE2 4.31Å; V97-Y140 HydrophobicContact CG1-CD1 3.69Å; V97-Y140 HydrophobicContact CG1-CD2 3.71Å; V97-Y140 HydrophobicContact CG1-CE1 3.78Å; V97-Y140 HydrophobicContact CG1-CE2 3.8Å; V97-Y140 HydrophobicContact CG1-CG 3.67Å; V97-Y140 HydrophobicContact CG2-CE1 4.45Å; V97-Y140 HydrophobicContact CG2-CE2 4.15Å; V132-Y140 VanDerWaalsContact CA-O 3.26Å; V132-Y140 WeakPolarHBondContact CA-O 3.27Å; L133-Y140 HydrophobicContact CB-CD2 4.49Å; L133-Y140 PolarHBondContact N-O 2.83Å; L133-Y140 WeakPolarHBondContact O-CD2 3.26Å; L133-Y140 PolarHBondContact O-N 2.75Å; H138-Y140 HydrophobicContact CB-CD2 4.25Å; H138-Y140 HydrophobicContact CB-CE1 4.32Å; H138-Y140 HydrophobicContact CB-CE2 3.6Å; Y140-H222 CarbonylContact C-O 3.55Å; Y140-H222 WeakPolarHBondContact CA-O 3.44Å; Y140-D223 HydrophobicContact CD1-CB 3.44Å; Y140-D223 VanDerWaalsContact CD1-CB 3.44Å; Y140-D223 HydrophobicContact CE1-CB 3.43Å; Y140-D223 VanDerWaalsContact CE1-CB 3.43Å; Y140-D223 HydrophobicContact CG-CB 4.5Å
141F98.9Very high98.8Very high1 Ų114.3 Ų14.30%0.0047%0.073CC..EExtended strand (participates in β ladder)trans-75.4135.3170.4-82.5-93.9000110.1V132 T139 L151 F159 T161 V221 H222 I224 I234V132-F141 HydrophobicContact CG1-CD1 3.5Å; V132-F141 VanDerWaalsContact CG1-CD1 3.5Å; V132-F141 HydrophobicContact CG1-CD2 4.02Å; V132-F141 HydrophobicContact CG1-CE1 3.52Å; V132-F141 HydrophobicContact CG1-CE2 4.04Å; V132-F141 HydrophobicContact CG1-CG 3.76Å; V132-F141 HydrophobicContact CG1-CZ 3.8Å; T139-F141 HydrophobicContact CG2-CD2 3.83Å; T139-F141 HydrophobicContact CG2-CE2 3.55Å; T139-F141 HydrophobicContact CG2-CZ 4.36Å; F141-L151 HydrophobicContact CE2-CB 3.89Å; F141-L151 HydrophobicContact CZ-CB 3.73Å; F141-F159 HydrophobicContact CB-CD1 4.23Å; F141-F159 HydrophobicContact CB-CE1 3.48Å; F141-F159 VanDerWaalsContact CB-CE1 3.48Å; F141-F159 HydrophobicContact CB-CZ 4.17Å; F141-F159 HydrophobicContact CD1-CD1 4.03Å; F141-F159 AromaticContact CD1-CE1 3.82Å; F141-F159 HydrophobicContact CD1-CE1 3.82Å; F141-F159 AromaticContact CD2-CD1 3.62Å; F141-F159 HydrophobicContact CD2-CD1 3.62Å; F141-F159 AromaticContact CD2-CE1 3.78Å; F141-F159 HydrophobicContact CD2-CE1 3.78Å; F141-F159 HydrophobicContact CE1-CD1 4.28Å; F141-F159 AromaticContact CE2-CD1 3.9Å; F141-F159 HydrophobicContact CE2-CD1 3.9Å; F141-F159 HydrophobicContact CE2-CE1 4.47Å; F141-F159 AromaticContact CG-CD1 3.68Å; F141-F159 HydrophobicContact CG-CD1 3.68Å; F141-F159 AromaticContact CG-CE1 3.4Å; F141-F159 HydrophobicContact CG-CE1 3.4Å; F141-F159 VanDerWaalsContact CG-CE1 3.4Å; F141-F159 HydrophobicContact CG-CZ 4.49Å; F141-F159 HydrophobicContact CZ-CD1 4.22Å; F141-T161 HydrophobicContact CB-CG2 4.11Å; F141-T161 HydrophobicContact CD1-CG2 3.98Å; F141-T161 HydrophobicContact CG-CG2 4.46Å; F141-V221 CarbonylContact O-C 3.53Å; F141-V221 VanDerWaalsContact O-CA 3.28Å; F141-V221 WeakPolarHBondContact O-CA 3.43Å; F141-H222 HydrophobicContact CB-CB 4.49Å; F141-H222 PolarHBondContact N-O 2.88Å; F141-H222 PolarHBondContact O-N 3.02Å; F141-I224 HydrophobicContact CD2-CD1 3.78Å; F141-I224 HydrophobicContact CE2-CD1 3.9Å; F141-I234 HydrophobicContact CE1-CG2 4.02Å; F141-I234 HydrophobicContact CE2-CD1 4.48Å; F141-I234 HydrophobicContact CZ-CD1 4.16Å; F141-I234 HydrophobicContact CZ-CG1 3.96Å; F141-I234 HydrophobicContact CZ-CG2 3.97Å
142I99Very high98.8Very high4 Ų414.2 Ų14.22%0.0217%0.071CC..EExtended strand (participates in β ladder)trans-128125.4-175.7-53.7170.3000107F55 I101 F105 V130 G131 L133 P219 E220 V221F55-I142 HydrophobicContact CE2-CD1 4.16Å; I101-I142 HydrophobicContact CD1-CD1 3.62Å; I101-I142 HydrophobicContact CD1-CG1 3.92Å; I101-I142 HydrophobicContact CG1-CD1 3.93Å; I101-I142 HydrophobicContact CG2-CD1 3.94Å; I101-I142 HydrophobicContact CG2-CG1 4.09Å; I101-I142 HydrophobicContact CG2-CG2 3.76Å; F105-I142 HydrophobicContact CE2-CG2 3.62Å; F105-I142 HydrophobicContact CZ-CG2 3.68Å; V130-I142 CarbonylContact C-O 3.58Å; V130-I142 WeakPolarHBondContact CA-O 3.25Å; G131-I142 PolarHBondContact N-O 3.46Å; G131-I142 PolarHBondContact O-N 3.08Å; L133-I142 HydrophobicContact CB-CD1 4.28Å; I142-P219 HydrophobicContact CG2-CB 3.99Å; I142-E220 WeakPolarHBondContact CA-O 3.32Å; I142-V221 HydrophobicContact CG1-CG1 4.45Å
143N98.9Very high98.8Very high1 Ų115.9 Ų15.91%0.0058%0.078CC..EExtended strand (participates in β ladder)trans-134.4135.6175.4-168.941.4000112.6A129 V130 G145 S147 T161 Q162 H164 P219 E220A129-N143 CarbonylContact O-C 3.57Å; V130-N143 HydrophobicContact CG2-CB 4.43Å; N143-G145 PolarHBondContact ND2-O 3.17Å; N143-S147 PolarHBondContact OD1-O 3Å; N143-S147 VanDerWaalsContact OD1-O 3.09Å; N143-T161 HydrophobicContact CB-CG2 3.84Å; N143-Q162 PolarHBondContact ND2-O 3.43Å; N143-H164 PolarHBondContact ND2-ND1 3.37Å; N143-H164 VanDerWaalsContact ND2-ND1 3.14Å; N143-H164 PolarHBondContact O-CE1 3.35Å; N143-P219 CarbonylContact O-C 3.41Å; N143-P219 VanDerWaalsContact O-CA 3.31Å; N143-P219 WeakPolarHBondContact O-CA 3.34Å; N143-E220 PolarHBondContact N-O 2.9Å; N143-E220 PolarHBondContact O-N 3.31Å
144C98.9Very high98.8Very high0 Ų020.8 Ų20.80%010%0.104CC..EExtended strand (participates in β ladder)trans-146.493.1170.7-170.60000108.1F105 T128 A129 P219F105-C144 HydrophobicContact CD1-CB 4.15Å; F105-C144 HydrophobicContact CE1-CB 3.6Å; F105-C144 HydrophobicContact CZ-CB 4.46Å; T128-C144 CarbonylContact C-O 3.58Å; T128-C144 WeakPolarHBondContact CA-O 3.35Å; T128-C144 WeakPolarHBondContact CB-O 3.27Å; A129-C144 PolarHBondContact N-O 2.78Å; A129-C144 PolarHBondContact O-N 3.02Å; C144-P219 HydrophobicContact CB-CB 4.36Å
145G98.8Very high98.8Very high0 Ų026.2 Ų26.20%012%0.124CC..SBendtrans125.9-161.6-172.900000113.2N143 H164 R195N143-G145 PolarHBondContact ND2-O 3.17Å; G145-H164 PolarHBondContact N-ND1 2.99Å; G145-H164 WeakPolarHBondContact O-CB 3.27Å; G145-H164 PolarHBondContact O-N 2.96Å; G145-H164 PolarHBondContact O-ND1 2.61Å; G145-R195 WeakPolarHBondContact CA-O 3.3Å
146D98.7Very high98.8Very high5 Ų533.3 Ų33.33%0.02715%0.154CC..SBendtrans-113.77.6-179.259.2-9.3000114.4D163 K165 V193D146-D163 HydrophobicContact CB-CB 4.07Å; D146-K165 HydrophobicContact CB-CD 4.1Å; D146-K165 IonicContact OD2-NZ 3.29Å; D146-K165 PolarHBondContact OD2-NZ 3.23Å; D146-V193 HydrophobicContact CB-CG1 4.38Å; D146-V193 VanDerWaalsContact CG-CG1 3.41Å; D146-V193 WeakPolarHBondContact OD1-CG1 3.38Å; D146-V193 WeakPolarHBondContact OD2-CG1 3.22Å
147S98.8Very high98.8Very high0 Ų031.5 Ų31.50%014%0.142CC..  trans-58.5153.4148.7-710000109.9T128 N143 C238T128-S147 PolarHBondContact OG1-OG 3.46Å; N143-S147 PolarHBondContact OD1-O 3Å; N143-S147 VanDerWaalsContact OD1-O 3.09Å; S147-C238 WeakPolarHBondContact OG-CA 3.39Å
148R98.9Very high98.8Very high39 Ų3929.4 Ų29.415%0.14713%0.132CC..EExtended strand (participates in β ladder)trans-138.1143.7-174.6-162.7-171-59.9143.210.6112.5T161 D163 A237 W242 N247R148-T161 WeakPolarHBondContact CA-OG1 3.33Å; R148-T161 WeakPolarHBondContact CG-O 3.3Å; R148-T161 WeakPolarHBondContact CG-OG1 3.45Å; R148-D163 IonicContact CZ-OD1 3.19Å; R148-D163 IonicContact CZ-OD2 3.47Å; R148-D163 IonicContact NE-OD1 2.8Å; R148-D163 PolarHBondContact NE-OD1 3.48Å; R148-D163 IonicContact NE-OD2 3.49Å; R148-D163 IonicContact NH2-OD1 3.65Å; R148-D163 PolarHBondContact NH2-OD1 2.94Å; R148-D163 IonicContact NH2-OD2 2.69Å; R148-D163 PolarHBondContact NH2-OD2 3.07Å; R148-A237 PolarHBondContact N-O 3.37Å; R148-A237 PolarHBondContact O-N 2.9Å; R148-A237 VanDerWaalsContact O-O 3.12Å; R148-W242 HydrophobicContact CB-CD2 4.09Å; R148-W242 HydrophobicContact CB-CG 4.04Å; R148-W242 HydrophobicContact CB-CZ2 4.3Å; R148-W242 WeakPolarHBondContact O-CZ2 3.34Å; R148-W242 PolarHBondContact O-NE1 3.09Å; R148-W242 VanDerWaalsContact O-NE1 3.1Å; R148-N247 WeakPolarHBondContact CD-OD1 3.44Å; R148-N247 PolarHBondContact NH1-OD1 2.82Å
149G98.9Very high98.8Very high0 Ų029.8 Ų29.80%013%0.134CC..EExtended strand (participates in β ladder)trans-120.9144.7173.400000110.8F160 T161 I235G149-F160 CarbonylContact O-C 3.54Å; G149-F160 WeakPolarHBondContact O-CA 3.27Å; G149-T161 PolarHBondContact N-OG1 3.31Å; G149-T161 PolarHBondContact O-N 2.91Å; G149-T161 PolarHBondContact O-OG1 3.03Å; G149-I235 CarbonylContact C-O 3.52Å; G149-I235 WeakPolarHBondContact CA-O 3.17Å
150L98.9Very high98.8Very high0 Ų034.4 Ų34.40%015%0.154CC..EExtended strand (participates in β ladder)trans-137.1152.917375.882.3000112.8F159 F160 I234 I235 W242 N247 C251L150-F159 CarbonylContact C-O 3.49Å; L150-F159 VanDerWaalsContact CA-O 3.25Å; L150-F159 WeakPolarHBondContact CA-O 3.41Å; L150-F159 WeakPolarHBondContact CB-O 3.48Å; L150-F160 HydrophobicContact CB-CB 3.83Å; L150-I234 VanDerWaalsContact O-CA 3.25Å; L150-I234 WeakPolarHBondContact O-CA 3.25Å; L150-I234 WeakPolarHBondContact O-CG2 3.45Å; L150-I235 HydrophobicContact CD1-CD1 4.31Å; L150-I235 HydrophobicContact CD1-CG1 4.46Å; L150-I235 HydrophobicContact CG-CB 4.25Å; L150-I235 PolarHBondContact N-O 3.24Å; L150-I235 PolarHBondContact O-N 3.28Å; L150-W242 HydrophobicContact CD2-CH2 3.42Å; L150-W242 VanDerWaalsContact CD2-CH2 3.42Å; L150-W242 HydrophobicContact CD2-CZ3 3.73Å; L150-W242 HydrophobicContact CG-CH2 4.07Å; L150-N247 HydrophobicContact CD2-CB 4.23Å; L150-C251 HydrophobicContact CD1-CB 4.49Å
151L99Very high98.8Very high0 Ų034.3 Ų34.30%015%0.154CC..EExtended strand (participates in β ladder)trans-107.3125.8171175.562.6000109.9F141 H158 F159 I224 I234 F291F141-L151 HydrophobicContact CE2-CB 3.89Å; F141-L151 HydrophobicContact CZ-CB 3.73Å; L151-H158 HydrophobicContact CD2-CB 4.39Å; L151-H158 HydrophobicContact CG-CB 4.38Å; L151-H158 PolarHBondContact O-N 3.4Å; L151-F159 HydrophobicContact CB-CB 4.35Å; L151-F159 PolarHBondContact N-O 2.84Å; L151-I224 HydrophobicContact CD2-CD1 4.2Å; L151-I224 HydrophobicContact CD2-CG2 4.19Å; L151-I234 HydrophobicContact CB-CG1 4.47Å; L151-I234 HydrophobicContact CD1-CD1 4.27Å; L151-I234 HydrophobicContact CD1-CG1 3.66Å; L151-F291 HydrophobicContact CD1-CE2 4.05Å
152C98.9Very high98.8Very high0 Ų040.3 Ų40.30%018%0.182CC..EExtended strand (participates in β ladder)trans-92.3120.4163.4-178.60000109.9K156 Q232 F233C152-K156 WeakPolarHBondContact CA-O 3.37Å; C152-Q232 HydrophobicContact CB-CB 4.46Å; C152-Q232 WeakPolarHBondContact O-CB 3.46Å; C152-Q232 PolarHBondContact O-N 2.95Å; C152-F233 HydrophobicContact CB-CD1 4.03Å; C152-F233 HydrophobicContact CB-CD2 3.7Å; C152-F233 HydrophobicContact CB-CE1 3.77Å; C152-F233 HydrophobicContact CB-CE2 3.4Å; C152-F233 VanDerWaalsContact CB-CE2 3.4Å; C152-F233 HydrophobicContact CB-CG 4.01Å; C152-F233 HydrophobicContact CB-CZ 3.44Å; C152-F233 VanDerWaalsContact CB-CZ 3.44Å; C152-F233 PolarHBondContact N-O 2.8Å; C152-F233 PolarHBondContact O-N 2.84Å; C152-F233 VanDerWaalsContact SG-CZ 3.57Å
153R98.8Very high98.8Very high36 Ų3641.3 Ų41.314%0.13619%0.187CC..EExtended strand (participates in β ladder)trans-129.5131.4173.7-177176.2-72.7-177.7-8.3108.8R155 K156 H158 E225 S227 D230 D231R153-R155 VanDerWaalsContact C-N 3.28Å; R153-R155 PolarHBondContact O-N 3.01Å; R153-K156 PolarHBondContact N-O 3.39Å; R153-K156 PolarHBondContact O-N 3.3Å; R153-H158 HydrophobicContact CB-CB 3.66Å; R153-E225 PolarHBondContact NH1-O 2.88Å; R153-E225 PolarHBondContact NH2-O 3.33Å; R153-S227 VanDerWaalsContact NH2-N 3.18Å; R153-D230 CarbonylContact C-O 3.17Å; R153-D230 WeakPolarHBondContact CA-O 3.47Å; R153-D230 HydrophobicContact CG-CB 3.37Å; R153-D230 WeakPolarHBondContact CG-O 3.14Å; R153-D231 IonicContact CZ-OD1 3.5Å; R153-D231 IonicContact CZ-OD2 2.86Å; R153-D231 IonicContact NE-OD1 3.49Å; R153-D231 PolarHBondContact NE-OD1 2.66Å; R153-D231 IonicContact NH2-OD1 2.78Å; R153-D231 PolarHBondContact NH2-OD1 2.89Å; R153-D231 IonicContact NH2-OD2 3.47Å; R153-D231 PolarHBondContact NH2-OD2 3.35Å
154N98.5Very high98.8Very high103 Ų10341.6 Ų41.655%0.55119%0.188SC*.THydrogen-bonded Turntrans47.350.4-178.9-168.311.8000112.8K156 D230N154-K156 PolarHBondContact O-N 2.83Å; N154-K156 VanDerWaalsContact O-N 3.17Å; N154-D230 HydrophobicContact CB-CB 4.38Å; N154-D230 PolarHBondContact N-O 3.41Å
155R98.6Very high98.8Very high115 Ų11543.7 Ų43.743%0.43420%0.198SC..THydrogen-bonded Turntrans61.517179-5217666.286.6-2.6115.5R153 Q232 R255 E259R153-R155 VanDerWaalsContact C-N 3.28Å; R153-R155 PolarHBondContact O-N 3.01Å; R155-Q232 VanDerWaalsContact CA-OE1 3.24Å; R155-R255 PolarHBondContact O-NH1 3.42Å; R155-E259 IonicContact CZ-OE1 2.75Å; R155-E259 IonicContact NH1-OE1 2.86Å; R155-E259 PolarHBondContact NH1-OE1 2.86Å; R155-E259 IonicContact NH2-OE1 3.35Å; R155-E259 PolarHBondContact NH2-OE1 3.21Å; R155-E259 VanDerWaalsContact NH2-OE1 3.15Å
156K98.7Very high98.8Very high153 Ų15343.7 Ų43.767%0.66520%0.198SC*.EExtended strand (participates in β ladder)trans-129.2151.6-179.8-63.5179.1-175.3-179.80111C152 R153 N154 H158C152-K156 WeakPolarHBondContact CA-O 3.37Å; R153-K156 PolarHBondContact N-O 3.39Å; R153-K156 PolarHBondContact O-N 3.3Å; N154-K156 PolarHBondContact O-N 2.83Å; N154-K156 VanDerWaalsContact O-N 3.17Å; K156-H158 PolarHBondContact O-N 2.98Å; K156-H158 VanDerWaalsContact O-N 3.09Å
157V98.8Very high98.8Very high33 Ų3346 Ų4620%0.221%0.214CC..EExtended strand (participates in β ladder)trans-64.2109.5165.6-177.50000107.6F160 N247 E248 C251V157-F160 HydrophobicContact CG1-CD1 3.88Å; V157-N247 HydrophobicContact CG1-CB 4.5Å; V157-N247 HydrophobicContact CG2-CB 4.38Å; V157-E248 HydrophobicContact CG2-CG 4.36Å; V157-C251 HydrophobicContact CG2-CB 3.73Å
158H98.8Very high98.7Very high97 Ų9747.9 Ų47.945%0.44922%0.224SC..EExtended strand (participates in β ladder)trans-92.4-37.1-178.2179.2-86.9000111.8L151 R153 K156L151-H158 HydrophobicContact CD2-CB 4.39Å; L151-H158 HydrophobicContact CG-CB 4.38Å; L151-H158 PolarHBondContact O-N 3.4Å; R153-H158 HydrophobicContact CB-CB 3.66Å; K156-H158 PolarHBondContact O-N 2.98Å; K156-H158 VanDerWaalsContact O-N 3.09Å
159F98.9Very high98.7Very high34 Ų3451.3 Ų51.315%0.14925%0.251CS..EExtended strand (participates in β ladder)trans-148.4149.5176.9175-93.3000109.4F141 L150 L151 T161 H222 I224F141-F159 HydrophobicContact CB-CD1 4.23Å; F141-F159 HydrophobicContact CB-CE1 3.48Å; F141-F159 VanDerWaalsContact CB-CE1 3.48Å; F141-F159 HydrophobicContact CB-CZ 4.17Å; F141-F159 HydrophobicContact CD1-CD1 4.03Å; F141-F159 AromaticContact CD1-CE1 3.82Å; F141-F159 HydrophobicContact CD1-CE1 3.82Å; F141-F159 AromaticContact CD2-CD1 3.62Å; F141-F159 HydrophobicContact CD2-CD1 3.62Å; F141-F159 AromaticContact CD2-CE1 3.78Å; F141-F159 HydrophobicContact CD2-CE1 3.78Å; F141-F159 HydrophobicContact CE1-CD1 4.28Å; F141-F159 AromaticContact CE2-CD1 3.9Å; F141-F159 HydrophobicContact CE2-CD1 3.9Å; F141-F159 HydrophobicContact CE2-CE1 4.47Å; F141-F159 AromaticContact CG-CD1 3.68Å; F141-F159 HydrophobicContact CG-CD1 3.68Å; F141-F159 AromaticContact CG-CE1 3.4Å; F141-F159 HydrophobicContact CG-CE1 3.4Å; F141-F159 VanDerWaalsContact CG-CE1 3.4Å; F141-F159 HydrophobicContact CG-CZ 4.49Å; F141-F159 HydrophobicContact CZ-CD1 4.22Å; L150-F159 CarbonylContact C-O 3.49Å; L150-F159 VanDerWaalsContact CA-O 3.25Å; L150-F159 WeakPolarHBondContact CA-O 3.41Å; L150-F159 WeakPolarHBondContact CB-O 3.48Å; L151-F159 HydrophobicContact CB-CB 4.35Å; L151-F159 PolarHBondContact N-O 2.84Å; F159-T161 HydrophobicContact CE1-CG2 3.93Å; F159-T161 HydrophobicContact CZ-CG2 4.42Å; F159-H222 HydrophobicContact CE1-CB 4.36Å; F159-H222 HydrophobicContact CE2-CB 3.76Å; F159-H222 AromaticContact CE2-CD2 3.78Å; F159-H222 AromaticContact CE2-CG 3.61Å; F159-H222 HydrophobicContact CZ-CB 3.53Å; F159-H222 AromaticContact CZ-CG 3.56Å; F159-H222 AromaticContact CZ-ND1 3.73Å; F159-I224 HydrophobicContact CB-CD1 3.4Å; F159-I224 VanDerWaalsContact CB-CD1 3.4Å; F159-I224 HydrophobicContact CD1-CD1 3.74Å; F159-I224 HydrophobicContact CD2-CD1 3.96Å; F159-I224 HydrophobicContact CG-CD1 3.41Å; F159-I224 VanDerWaalsContact CG-CD1 3.41Å
160F98.9Very high98.7Very high97 Ų9757.3 Ų57.343%0.42528%0.283SS..EExtended strand (participates in β ladder)trans-146.2149165.960.4-86.8000109.4G149 L150 V157 N247G149-F160 CarbonylContact O-C 3.54Å; G149-F160 WeakPolarHBondContact O-CA 3.27Å; L150-F160 HydrophobicContact CB-CB 3.83Å; V157-F160 HydrophobicContact CG1-CD1 3.88Å; F160-N247 WeakPolarHBondContact CD2-ND2 3.42Å; F160-N247 WeakPolarHBondContact CG-ND2 3.42Å
161T98.9Very high98.7Very high3 Ų357.8 Ų57.82%0.01829%0.285CS..PPolyproline II helixtrans-70147.2176.355.80000110.9V130 F141 N143 R148 G149 F159V130-T161 HydrophobicContact CG2-CG2 4.25Å; F141-T161 HydrophobicContact CB-CG2 4.11Å; F141-T161 HydrophobicContact CD1-CG2 3.98Å; F141-T161 HydrophobicContact CG-CG2 4.46Å; N143-T161 HydrophobicContact CB-CG2 3.84Å; R148-T161 WeakPolarHBondContact CA-OG1 3.33Å; R148-T161 WeakPolarHBondContact CG-O 3.3Å; R148-T161 WeakPolarHBondContact CG-OG1 3.45Å; G149-T161 PolarHBondContact N-OG1 3.31Å; G149-T161 PolarHBondContact O-N 2.91Å; G149-T161 PolarHBondContact O-OG1 3.03Å; F159-T161 HydrophobicContact CE1-CG2 3.93Å; F159-T161 HydrophobicContact CZ-CG2 4.42Å
162Q98.8Very high98.7Very high126 Ų12661.8 Ų61.859%0.58930%0.302SS*.PPolyproline II helixtrans-87.6128.1173.6-176.4172.697.100110.3N143N143-Q162 PolarHBondContact ND2-O 3.43Å
163D98.8Very high98.7Very high26 Ų2666.8 Ų66.814%0.13933%0.326CS..PPolyproline II helixtrans-66.7137.5178.7-58.57.3000111.6D146 R148 K165 N168D146-D163 HydrophobicContact CB-CB 4.07Å; R148-D163 IonicContact CZ-OD1 3.19Å; R148-D163 IonicContact CZ-OD2 3.47Å; R148-D163 IonicContact NE-OD1 2.8Å; R148-D163 PolarHBondContact NE-OD1 3.48Å; R148-D163 IonicContact NE-OD2 3.49Å; R148-D163 IonicContact NH2-OD1 3.65Å; R148-D163 PolarHBondContact NH2-OD1 2.94Å; R148-D163 IonicContact NH2-OD2 2.69Å; R148-D163 PolarHBondContact NH2-OD2 3.07Å; D163-K165 HydrophobicContact CB-CG 4.24Å; D163-K165 PolarHBondContact O-N 3.21Å; D163-K165 VanDerWaalsContact O-N 3.15Å; D163-N168 PolarHBondContact O-ND2 3.26Å
164H98.8Very high98.7Very high6 Ų666.3 Ų66.33%0.02832%0.324CS..  trans-88.378.4177.6-65.8104.9000111.5N143 G145 S194 R195N143-H164 PolarHBondContact ND2-ND1 3.37Å; N143-H164 VanDerWaalsContact ND2-ND1 3.14Å; N143-H164 PolarHBondContact O-CE1 3.35Å; G145-H164 PolarHBondContact N-ND1 2.99Å; G145-H164 WeakPolarHBondContact O-CB 3.27Å; G145-H164 PolarHBondContact O-N 2.96Å; G145-H164 PolarHBondContact O-ND1 2.61Å; H164-S194 VanDerWaalsContact C-OG 3.26Å; H164-S194 PolarHBondContact O-N 3.2Å; H164-S194 PolarHBondContact O-OG 2.88Å; H164-S194 VanDerWaalsContact O-OG 3.06Å; H164-R195 HydrophobicContact CB-CB 3.91Å; H164-R195 HydrophobicContact CB-CG 3.86Å; H164-R195 WeakPolarHBondContact CD2-CD 3.39Å; H164-R195 PolarHBondContact CD2-NE 3.45Å; H164-R195 PolarHBondContact NE2-NE 3.42Å
165K98.5Very high98.7Very high45 Ų4561.4 Ų61.420%0.19630%0.298CS..  trans-91.3139.1176.6-63.6-63.6-164.9-177.10111.2D146 D163 S167 N168D146-K165 HydrophobicContact CB-CD 4.1Å; D146-K165 IonicContact OD2-NZ 3.29Å; D146-K165 PolarHBondContact OD2-NZ 3.23Å; D163-K165 HydrophobicContact CB-CG 4.24Å; D163-K165 PolarHBondContact O-N 3.21Å; D163-K165 VanDerWaalsContact O-N 3.15Å; K165-S167 PolarHBondContact O-N 3.17Å; K165-N168 VanDerWaalsContact O-CB 3.29Å; K165-N168 WeakPolarHBondContact O-CB 3.29Å; K165-N168 PolarHBondContact O-N 2.61Å
166P98.7Very high98.7Very high0 Ų061 Ų610%030%0.301CS..THydrogen-bonded Turntrans-54.5-27.6177-30.437.8000114.9N168 K172 I175 V182 Q185 V187 A192P166-N168 VanDerWaalsContact C-N 3.28Å; P166-N168 PolarHBondContact O-N 2.82Å; P166-K172 WeakPolarHBondContact O-CB 3.42Å; P166-I175 HydrophobicContact CB-CD1 3.97Å; P166-V182 HydrophobicContact CB-CG1 3.92Å; P166-V182 HydrophobicContact CB-CG2 4.15Å; P166-V182 WeakPolarHBondContact O-CG2 3.39Å; P166-Q185 WeakPolarHBondContact CD-O 3.2Å; P166-Q185 VanDerWaalsContact CG-O 3.28Å; P166-Q185 WeakPolarHBondContact CG-O 3.42Å; P166-V187 HydrophobicContact CB-CG2 4Å; P166-V187 HydrophobicContact CG-CG2 3.69Å; P166-A192 WeakPolarHBondContact CD-O 3.45Å
167S98.1Very high98.7Very high54 Ų5458.3 Ų58.338%0.37829%0.294SS..THydrogen-bonded Turntrans-74.7-13.5177.650.50000114.4K165K165-S167 PolarHBondContact O-N 3.17Å
168N98.6Very high98.7Very high39 Ų3957 Ų5721%0.20929%0.287CS..SBendtrans-64143.2179.1-68.5-2.9000110.2D163 K165 P166 L170 E171 K172D163-N168 PolarHBondContact O-ND2 3.26Å; K165-N168 VanDerWaalsContact O-CB 3.29Å; K165-N168 WeakPolarHBondContact O-CB 3.29Å; K165-N168 PolarHBondContact O-N 2.61Å; P166-N168 VanDerWaalsContact C-N 3.28Å; P166-N168 PolarHBondContact O-N 2.82Å; N168-L170 PolarHBondContact O-N 2.99Å; N168-E171 HydrophobicContact CB-CB 4.16Å; N168-E171 HydrophobicContact CB-CG 3.87Å; N168-E171 PolarHBondContact O-N 3.23Å; N168-K172 VanDerWaalsContact O-CB 3.31Å; N168-K172 WeakPolarHBondContact O-CB 3.18Å; N168-K172 PolarHBondContact O-N 2.97Å
169P98.5Very high98.7Very high110 Ų11056 Ų5671%0.71430%0.302SS*.Hα-helixtrans-55.1-50.7-169.2-2935.8000114.8K172 E173P169-K172 PolarHBondContact O-N 3.29Å; P169-E173 WeakPolarHBondContact O-CB 3.27Å; P169-E173 PolarHBondContact O-N 2.99Å
170L98.6Very high98.7Very high126 Ų12655.1 Ų55.166%0.6630%0.303SS*.Hα-helixtrans-71-34.8-178.5-62179.4000112.4N168 E173 R174N168-L170 PolarHBondContact O-N 2.99Å; L170-E173 PolarHBondContact O-N 3.25Å; L170-R174 PolarHBondContact O-N 3.41Å
171E98.8Very high98.7Very high10 Ų1052.4 Ų52.45%0.04730%0.296CS..Hα-helixtrans-66.3-46.4176.4-58.2-57.6115.800110.6N168 E173 R174 I175 S194 R195N168-E171 HydrophobicContact CB-CB 4.16Å; N168-E171 HydrophobicContact CB-CG 3.87Å; N168-E171 PolarHBondContact O-N 3.23Å; E171-E173 PolarHBondContact O-N 3.35Å; E171-R174 PolarHBondContact O-N 3.37Å; E171-R174 IonicContact OE2-CZ 2.64Å; E171-R174 IonicContact OE2-NH1 3.9Å; E171-R174 PolarHBondContact OE2-NH1 3.5Å; E171-R174 IonicContact OE2-NH2 3.84Å; E171-I175 WeakPolarHBondContact O-CD1 3.43Å; E171-I175 WeakPolarHBondContact O-CG1 3.38Å; E171-I175 PolarHBondContact O-N 2.94Å; E171-S194 VanDerWaalsContact CD-OG 3.28Å; E171-S194 VanDerWaalsContact CG-OG 3.26Å; E171-S194 WeakPolarHBondContact CG-OG 3.29Å; E171-S194 VanDerWaalsContact OE2-CB 3.27Å; E171-S194 WeakPolarHBondContact OE2-CB 3.35Å; E171-S194 PolarHBondContact OE2-OG 2.83Å; E171-R195 IonicContact OE1-CZ 3.27Å; E171-R195 IonicContact OE1-NE 2.84Å; E171-R195 PolarHBondContact OE1-NE 2.96Å; E171-R195 VanDerWaalsContact OE1-NE 3.11Å; E171-R195 IonicContact OE1-NH2 3.8Å; E171-R195 PolarHBondContact OE1-NH2 2.9Å; E171-R195 VanDerWaalsContact OE2-CG 3.28Å; E171-R195 WeakPolarHBondContact OE2-CG 3.49Å; E171-R195 IonicContact OE2-NE 2.75Å; E171-R195 PolarHBondContact OE2-NE 3.39Å; E171-R195 VanDerWaalsContact OE2-NE 3.14Å
172K98.7Very high98.6Very high84 Ų8453.4 Ų53.437%0.36530%0.302SS..Hα-helixtrans-61.1-43.7176.1-176.6171.7-177.9178.50111.7P166 N168 P169 I175 Q176 V182P166-K172 WeakPolarHBondContact O-CB 3.42Å; N168-K172 VanDerWaalsContact O-CB 3.31Å; N168-K172 WeakPolarHBondContact O-CB 3.18Å; N168-K172 PolarHBondContact O-N 2.97Å; P169-K172 PolarHBondContact O-N 3.29Å; K172-I175 PolarHBondContact O-N 2.85Å; K172-Q176 HydrophobicContact CG-CG 4.47Å; K172-Q176 WeakPolarHBondContact O-CB 3.08Å; K172-Q176 VanDerWaalsContact O-CG 3.29Å; K172-Q176 WeakPolarHBondContact O-CG 3.28Å; K172-Q176 PolarHBondContact O-N 3.05Å; K172-V182 HydrophobicContact CB-CG2 4.23Å; K172-V182 HydrophobicContact CG-CB 4.33Å; K172-V182 HydrophobicContact CG-CG2 3.86Å
173E98.8Very high98.6Very high105 Ų10552.5 Ų52.549%0.49130%0.299SS..Hα-helixtrans-58.9-49.6176.3177.6176.3-164.700111.1P169 L170 E171 I175 Q176 N177P169-E173 WeakPolarHBondContact O-CB 3.27Å; P169-E173 PolarHBondContact O-N 2.99Å; L170-E173 PolarHBondContact O-N 3.25Å; E171-E173 PolarHBondContact O-N 3.35Å; E173-I175 PolarHBondContact O-N 2.95Å; E173-Q176 PolarHBondContact O-N 3.48Å; E173-N177 WeakPolarHBondContact O-CB 3.23Å; E173-N177 VanDerWaalsContact O-CG 3.26Å; E173-N177 PolarHBondContact O-N 3.18Å; E173-N177 PolarHBondContact O-ND2 2.8Å
174R98.9Very high98.4Very high27 Ų2759.2 Ų59.210%0.10233%0.333CS..Hα-helixtrans-56.5-49.3175.2-175.7-153.665.2-135.9-2.6111.4L170 E171 Q176 N177 A178 S194 T211 Q213 L214L170-R174 PolarHBondContact O-N 3.41Å; E171-R174 PolarHBondContact O-N 3.37Å; E171-R174 IonicContact OE2-CZ 2.64Å; E171-R174 IonicContact OE2-NH1 3.9Å; E171-R174 PolarHBondContact OE2-NH1 3.5Å; E171-R174 IonicContact OE2-NH2 3.84Å; R174-Q176 VanDerWaalsContact C-N 3.32Å; R174-Q176 PolarHBondContact O-N 2.92Å; R174-N177 PolarHBondContact O-N 2.89Å; R174-A178 WeakPolarHBondContact O-CB 3.27Å; R174-A178 PolarHBondContact O-N 3.34Å; R174-S194 PolarHBondContact NH1-O 2.66Å; R174-S194 PolarHBondContact NH2-O 3.18Å; R174-T211 WeakPolarHBondContact CD-O 3.2Å; R174-Q213 WeakPolarHBondContact CD-O 3.33Å; R174-Q213 PolarHBondContact NE-O 3.27Å; R174-L214 PolarHBondContact NH2-O 3.3Å
175I98.9Very high98.3Very high0 Ų064.2 Ų64.20%036%0.357CS..Hα-helixtrans-57.3-44.9-179.9-70.3159000111.2P166 E171 K172 E173 A178 G179 G180 V182 V187 L214P166-I175 HydrophobicContact CB-CD1 3.97Å; E171-I175 WeakPolarHBondContact O-CD1 3.43Å; E171-I175 WeakPolarHBondContact O-CG1 3.38Å; E171-I175 PolarHBondContact O-N 2.94Å; K172-I175 PolarHBondContact O-N 2.85Å; E173-I175 PolarHBondContact O-N 2.95Å; I175-A178 PolarHBondContact O-N 2.72Å; I175-G179 PolarHBondContact O-N 3.24Å; I175-G180 WeakPolarHBondContact O-CA 3.4Å; I175-G180 PolarHBondContact O-N 2.93Å; I175-V182 HydrophobicContact CB-CG2 4.26Å; I175-V182 HydrophobicContact CD1-CG2 3.76Å; I175-V182 HydrophobicContact CG2-CG2 3.97Å; I175-V187 HydrophobicContact CD1-CG2 3.81Å; I175-V187 HydrophobicContact CG1-CG2 4.45Å; I175-V187 HydrophobicContact CG2-CG1 4.19Å; I175-L214 WeakPolarHBondContact CG1-O 3.44Å; I175-L214 HydrophobicContact CG2-CD2 4.24Å
176Q98.7Very high98.3Very high105 Ų10568 Ų6849%0.49137%0.37SS..Hα-helixtrans-67.3-42.7178.4-71.6175.9-25.500111.9K172 E173 R174 A178 G179K172-Q176 HydrophobicContact CG-CG 4.47Å; K172-Q176 WeakPolarHBondContact O-CB 3.08Å; K172-Q176 VanDerWaalsContact O-CG 3.29Å; K172-Q176 WeakPolarHBondContact O-CG 3.28Å; K172-Q176 PolarHBondContact O-N 3.05Å; E173-Q176 PolarHBondContact O-N 3.48Å; R174-Q176 VanDerWaalsContact C-N 3.32Å; R174-Q176 PolarHBondContact O-N 2.92Å; Q176-A178 PolarHBondContact O-N 3.01Å; Q176-G179 PolarHBondContact O-N 3.1Å
177N98.8Very high98.2Very high97 Ų9768 Ų6852%0.51937%0.37SS..Hα-helixtrans-65.4-25.2176.5-73.5-22.5000112.9E173 R174 K208E173-N177 WeakPolarHBondContact O-CB 3.23Å; E173-N177 VanDerWaalsContact O-CG 3.26Å; E173-N177 PolarHBondContact O-N 3.18Å; E173-N177 PolarHBondContact O-ND2 2.8Å; R174-N177 PolarHBondContact O-N 2.89Å; N177-K208 WeakPolarHBondContact O-CE 3.21Å; N177-K208 PolarHBondContact O-NZ 2.88Å
178A98.7Very high98.2Very high7 Ų768.3 Ų68.36%0.05837%0.367CS..THydrogen-bonded Turntrans-836.1171.900000113.2R174 I175 Q176 V205 E212 L214R174-A178 WeakPolarHBondContact O-CB 3.27Å; R174-A178 PolarHBondContact O-N 3.34Å; I175-A178 PolarHBondContact O-N 2.72Å; Q176-A178 PolarHBondContact O-N 3.01Å; A178-V205 HydrophobicContact CB-CG2 4.28Å; A178-V205 WeakPolarHBondContact O-CG1 3.48Å; A178-E212 WeakPolarHBondContact CB-O 3.35Å; A178-L214 HydrophobicContact CB-CD2 3.84Å; A178-L214 HydrophobicContact CB-CG 4.25Å
179G98.6Very high98.1Very high75 Ų7568.2 Ų68.277%0.77338%0.375SS*.THydrogen-bonded Turntrans82.97.517800000114.8I175 Q176I175-G179 PolarHBondContact O-N 3.24Å; Q176-G179 PolarHBondContact O-N 3.1Å
180G98.5Very high98.1Very high16 Ų1666.2 Ų66.217%0.16536%0.364CS..  trans-93.2-171.4176.100000113.7I175 N188I175-G180 WeakPolarHBondContact O-CA 3.4Å; I175-G180 PolarHBondContact O-N 2.93Å; G180-N188 WeakPolarHBondContact CA-OD1 3.49Å
181S98.2Very high97.9Very high40 Ų4061.2 Ų61.228%0.2834%0.338SS..  trans-141.9159.7175.663.20000111.1M183 N188S181-M183 WeakPolarHBondContact OG-CE 3.22Å; S181-N188 PolarHBondContact N-OD1 3.25Å; S181-N188 PolarHBondContact O-N 3.4Å; S181-N188 PolarHBondContact O-OD1 3.18Å; S181-N188 PolarHBondContact OG-OD1 2.85Å
182V98.5Very high97.8Very high24 Ų2462.2 Ų62.215%0.14535%0.348CS..EExtended strand (participates in β ladder)trans-110.3109.7171.3-179.90000107.5P166 K172 I175P166-V182 HydrophobicContact CB-CG1 3.92Å; P166-V182 HydrophobicContact CB-CG2 4.15Å; P166-V182 WeakPolarHBondContact O-CG2 3.39Å; K172-V182 HydrophobicContact CB-CG2 4.23Å; K172-V182 HydrophobicContact CG-CB 4.33Å; K172-V182 HydrophobicContact CG-CG2 3.86Å; I175-V182 HydrophobicContact CB-CG2 4.26Å; I175-V182 HydrophobicContact CD1-CG2 3.76Å; I175-V182 HydrophobicContact CG2-CG2 3.97Å
183M97.3Very high97.8Very high106 Ų10658.7 Ų58.752%0.52233%0.333SS..EExtended strand (participates in β ladder)trans-102.8115177.9-58.3-176.1-172.700108.1S181 Q185 R186S181-M183 WeakPolarHBondContact OG-CE 3.22Å; M183-Q185 PolarHBondContact O-N 3.4Å; M183-R186 PolarHBondContact N-O 2.87Å; M183-R186 PolarHBondContact O-N 3.16Å
184I95Very high97.8Very high167 Ų16753.7 Ų53.786%0.85631%0.31SS*.THydrogen-bonded Turntrans60.3-95.8-169.6-51.9172000109.7
185Q96Very high97.8Very high112 Ų11254.2 Ų54.252%0.52331%0.312SS..THydrogen-bonded Turntrans-130.314.7179-68178.5300111.8P166 M183P166-Q185 WeakPolarHBondContact CD-O 3.2Å; P166-Q185 VanDerWaalsContact CG-O 3.28Å; P166-Q185 WeakPolarHBondContact CG-O 3.42Å; M183-Q185 PolarHBondContact O-N 3.4Å
186R98.5Very high97.8Very high123 Ų12354.2 Ų54.246%0.46431%0.312SS..EExtended strand (participates in β ladder)trans-120.9138.5-172.5-65.6175.6177.8-86.5-6.7112.6M183 N188 G189 S190 L191 A192M183-R186 PolarHBondContact N-O 2.87Å; M183-R186 PolarHBondContact O-N 3.16Å; R186-N188 PolarHBondContact O-N 3.01Å; R186-G189 PolarHBondContact O-N 2.86Å; R186-S190 WeakPolarHBondContact CD-O 3.19Å; R186-S190 PolarHBondContact NH1-O 2.81Å; R186-L191 CarbonylContact C-O 3.52Å; R186-L191 WeakPolarHBondContact CA-O 3.3Å; R186-L191 WeakPolarHBondContact CB-O 3.32Å; R186-A192 HydrophobicContact CG-CB 4.29Å
187V98Very high97.8Very high0 Ų049.3 Ų49.30%029%0.289CS..EExtended strand (participates in β ladder)trans-63.6118.3171.4-172.20000108.5P166 I175 G189 S190 L191 Y202 L214P166-V187 HydrophobicContact CB-CG2 4Å; P166-V187 HydrophobicContact CG-CG2 3.69Å; I175-V187 HydrophobicContact CD1-CG2 3.81Å; I175-V187 HydrophobicContact CG1-CG2 4.45Å; I175-V187 HydrophobicContact CG2-CG1 4.19Å; V187-G189 PolarHBondContact O-N 2.84Å; V187-G189 VanDerWaalsContact O-N 3.08Å; V187-S190 PolarHBondContact O-N 2.92Å; V187-L191 HydrophobicContact CB-CB 4.3Å; V187-L191 PolarHBondContact N-O 2.82Å; V187-L191 PolarHBondContact O-N 3Å; V187-Y202 HydrophobicContact CB-CE1 4.41Å; V187-Y202 HydrophobicContact CG1-CD1 4.03Å; V187-Y202 HydrophobicContact CG1-CE1 4.12Å; V187-L214 HydrophobicContact CG1-CB 4.12Å
188N98.1Very high97.8Very high61 Ų6144.7 Ų44.733%0.32626%0.264SS..THydrogen-bonded Turntrans49.333.9-175-61.5-24.7000113.2G180 S181 R186 S190G180-N188 WeakPolarHBondContact CA-OD1 3.49Å; S181-N188 PolarHBondContact N-OD1 3.25Å; S181-N188 PolarHBondContact O-N 3.4Å; S181-N188 PolarHBondContact O-OD1 3.18Å; S181-N188 PolarHBondContact OG-OD1 2.85Å; R186-N188 PolarHBondContact O-N 3.01Å; N188-S190 PolarHBondContact O-N 3.04Å; N188-S190 PolarHBondContact O-OG 2.92Å
189G97Very high97.8Very high37 Ų3744.7 Ų44.738%0.38126%0.264SS..THydrogen-bonded Turntrans723.8-178.600000115.4R186 V187R186-G189 PolarHBondContact O-N 2.86Å; V187-G189 PolarHBondContact O-N 2.84Å; V187-G189 VanDerWaalsContact O-N 3.08Å
190S96.7Very high97.7Very high69 Ų6942.6 Ų42.648%0.48323%0.233SC..THydrogen-bonded Turntrans-111.3-68.1-172.3-59.30000112.5R186 V187 N188 Y202R186-S190 WeakPolarHBondContact CD-O 3.19Å; R186-S190 PolarHBondContact NH1-O 2.81Å; V187-S190 PolarHBondContact O-N 2.92Å; N188-S190 PolarHBondContact O-N 3.04Å; N188-S190 PolarHBondContact O-OG 2.92Å; S190-Y202 VanDerWaalsContact CB-OH 3.23Å; S190-Y202 WeakPolarHBondContact CB-OH 3.21Å
191L94.5Very high97.7Very high21 Ų2146.3 Ų46.311%0.1125%0.249CC..BIsolated β-bridgetrans-88.3129.6-170.2-166.568.7000112.3R186 V187 V193 Y202 V215R186-L191 CarbonylContact C-O 3.52Å; R186-L191 WeakPolarHBondContact CA-O 3.3Å; R186-L191 WeakPolarHBondContact CB-O 3.32Å; V187-L191 HydrophobicContact CB-CB 4.3Å; V187-L191 PolarHBondContact N-O 2.82Å; V187-L191 PolarHBondContact O-N 3Å; L191-V193 HydrophobicContact CD1-CG2 4.14Å; L191-V193 HydrophobicContact CD2-CG2 3.83Å; L191-V193 HydrophobicContact CG-CG2 3.76Å; L191-Y202 HydrophobicContact CB-CE1 4.33Å; L191-Y202 HydrophobicContact CD2-CD2 4.43Å; L191-Y202 HydrophobicContact CD2-CE2 4.42Å; L191-V215 HydrophobicContact CD2-CG2 3.43Å; L191-V215 VanDerWaalsContact CD2-CG2 3.43Å
192A97.5Very high97.7Very high31 Ų3146.6 Ų46.626%0.25625%0.245SC..SBendtrans-85.5-8.2-175.800000114.8P166 R186P166-A192 WeakPolarHBondContact CD-O 3.45Å; R186-A192 HydrophobicContact CG-CB 4.29Å
193V98Very high97.7Very high9 Ų945.8 Ų45.86%0.05524%0.239CC..  trans-107146.8175.5-65.90000110.8T128 D146 L191 A196T128-V193 HydrophobicContact CG2-CG1 4.23Å; D146-V193 HydrophobicContact CB-CG1 4.38Å; D146-V193 VanDerWaalsContact CG-CG1 3.41Å; D146-V193 WeakPolarHBondContact OD1-CG1 3.38Å; D146-V193 WeakPolarHBondContact OD2-CG1 3.22Å; L191-V193 HydrophobicContact CD1-CG2 4.14Å; L191-V193 HydrophobicContact CD2-CG2 3.83Å; L191-V193 HydrophobicContact CG-CG2 3.76Å; V193-A196 HydrophobicContact CG2-CB 4.26Å
194S98.8Very high97.7Very high0 Ų044.5 Ų44.50%024%0.239CC..SBendtrans-96.9-17.1173.368.60000112.9H164 E171 R174 V215 S216H164-S194 VanDerWaalsContact C-OG 3.26Å; H164-S194 PolarHBondContact O-N 3.2Å; H164-S194 PolarHBondContact O-OG 2.88Å; H164-S194 VanDerWaalsContact O-OG 3.06Å; E171-S194 VanDerWaalsContact CD-OG 3.28Å; E171-S194 VanDerWaalsContact CG-OG 3.26Å; E171-S194 WeakPolarHBondContact CG-OG 3.29Å; E171-S194 VanDerWaalsContact OE2-CB 3.27Å; E171-S194 WeakPolarHBondContact OE2-CB 3.35Å; E171-S194 PolarHBondContact OE2-OG 2.83Å; R174-S194 PolarHBondContact NH1-O 2.66Å; R174-S194 PolarHBondContact NH2-O 3.18Å; S194-V215 WeakPolarHBondContact O-CA 3.29Å; S194-S216 PolarHBondContact O-N 2.68Å; S194-S216 VanDerWaalsContact O-N 3.17Å
195R98.9Very high97.9Very high39 Ų3938.3 Ų38.315%0.14721%0.209CC..BIsolated β-bridgetrans-132.8137.7177.3-57.7-160.6-168.6178.710.9110.4G145 H164 E171 S216 E218G145-R195 WeakPolarHBondContact CA-O 3.3Å; H164-R195 HydrophobicContact CB-CB 3.91Å; H164-R195 HydrophobicContact CB-CG 3.86Å; H164-R195 WeakPolarHBondContact CD2-CD 3.39Å; H164-R195 PolarHBondContact CD2-NE 3.45Å; H164-R195 PolarHBondContact NE2-NE 3.42Å; E171-R195 IonicContact OE1-CZ 3.27Å; E171-R195 IonicContact OE1-NE 2.84Å; E171-R195 PolarHBondContact OE1-NE 2.96Å; E171-R195 VanDerWaalsContact OE1-NE 3.11Å; E171-R195 IonicContact OE1-NH2 3.8Å; E171-R195 PolarHBondContact OE1-NH2 2.9Å; E171-R195 VanDerWaalsContact OE2-CG 3.28Å; E171-R195 WeakPolarHBondContact OE2-CG 3.49Å; E171-R195 IonicContact OE2-NE 2.75Å; E171-R195 PolarHBondContact OE2-NE 3.39Å; E171-R195 VanDerWaalsContact OE2-NE 3.14Å; R195-S216 CarbonylContact C-O 3.53Å; R195-S216 WeakPolarHBondContact CA-O 3.48Å; R195-S216 VanDerWaalsContact CB-O 3.23Å; R195-S216 WeakPolarHBondContact CB-O 3.42Å; R195-E218 VanDerWaalsContact CD-O 3.26Å; R195-E218 WeakPolarHBondContact CD-O 3.48Å; R195-E218 PolarHBondContact NH1-O 2.93Å
196A98.9Very high98Very high0 Ų041.8 Ų41.80%023%0.225CC..  trans-168.1154.4178.500000110S127 V193 D199 K203 V215 S216S127-A196 WeakPolarHBondContact O-CA 3.36Å; V193-A196 HydrophobicContact CG2-CB 4.26Å; A196-D199 VanDerWaalsContact CB-OD2 3.26Å; A196-D199 WeakPolarHBondContact CB-OD2 3.2Å; A196-K203 PolarHBondContact O-NZ 3.24Å; A196-V215 HydrophobicContact CB-CG1 3.96Å; A196-S216 PolarHBondContact N-O 3.27Å; A196-S216 VanDerWaalsContact N-O 3.07Å
197L98.9Very high98Very high1 Ų140 Ų401%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-78.7152159-65.9170.9000108.7V67 C71 L75 F105 I108 D109 M112 G126 S127 P217V67-L197 HydrophobicContact CG1-CB 3.98Å; C71-L197 HydrophobicContact CB-CD1 4.44Å; C71-L197 WeakPolarHBondContact SG-CD1 3.44Å; L75-L197 HydrophobicContact CD1-CD1 4.48Å; F105-L197 HydrophobicContact CD1-CD1 4.06Å; F105-L197 HydrophobicContact CD1-CD2 3.98Å; F105-L197 HydrophobicContact CD1-CG 4.14Å; F105-L197 HydrophobicContact CE1-CD1 4.1Å; F105-L197 HydrophobicContact CE1-CG 4.45Å; F105-L197 WeakPolarHBondContact O-CD2 3.15Å; I108-L197 HydrophobicContact CG2-CD1 4.1Å; I108-L197 HydrophobicContact CG2-CD2 3.91Å; D109-L197 HydrophobicContact CB-CD2 3.76Å; D109-L197 WeakPolarHBondContact OD1-CA 3.41Å; M112-L197 HydrophobicContact CE-CB 4.03Å; G126-L197 CarbonylContact C-O 3.5Å; G126-L197 WeakPolarHBondContact CA-O 3.45Å; S127-L197 PolarHBondContact N-O 3.48Å; S127-L197 PolarHBondContact O-N 3.41Å; L197-P217 HydrophobicContact CD2-CB 4.03Å
198G98.6Very high98Very high0 Ų043.4 Ų43.40%026%0.26CS..EExtended strand (participates in β ladder)trans79-139.8-174.200000112.6D109 F200 K203D109-G198 PolarHBondContact OD1-N 3.4Å; G198-F200 PolarHBondContact O-N 2.94Å; G198-K203 WeakPolarHBondContact O-CD 3.46Å; G198-K203 WeakPolarHBondContact O-CE 3.45Å; G198-K203 PolarHBondContact O-NZ 3.12Å
199D98.3Very high98Very high8 Ų841.7 Ų41.74%0.04326%0.257CS..  trans50.840.4179.6-67.5-48000113.7H62 S125 A196 D201 Y202 V215H62-D199 IonicContact CD2-OD1 2.71Å; H62-D199 IonicContact CD2-OD2 3.15Å; H62-D199 IonicContact CE1-OD2 3.39Å; H62-D199 PolarHBondContact CE1-OD2 2.93Å; H62-D199 IonicContact NE2-OD1 3.19Å; H62-D199 PolarHBondContact NE2-OD1 3.49Å; H62-D199 IonicContact NE2-OD2 3.54Å; H62-D199 PolarHBondContact NE2-OD2 3.11Å; S125-D199 PolarHBondContact O-N 2.9Å; S125-D199 VanDerWaalsContact O-N 3.16Å; A196-D199 VanDerWaalsContact CB-OD2 3.26Å; A196-D199 WeakPolarHBondContact CB-OD2 3.2Å; D199-D201 PolarHBondContact O-N 3.39Å; D199-Y202 HydrophobicContact CB-CD2 4.12Å; D199-Y202 WeakPolarHBondContact O-CB 3.34Å; D199-Y202 PolarHBondContact O-N 3.02Å; D199-V215 HydrophobicContact CB-CG1 4.38Å
200F97.9Very high98.1Very high31 Ų3144.1 Ų44.114%0.13627%0.266CS..G310 helixtrans-61.6-25.1-167.1-59-55.4000114.2D109 M112 R113 G198 Y202 K203 C204D109-F200 WeakPolarHBondContact O-CE1 3.45Å; M112-F200 HydrophobicContact CB-CE2 4.34Å; M112-F200 HydrophobicContact CB-CZ 3.75Å; R113-F200 HydrophobicContact CB-CD1 3.88Å; R113-F200 HydrophobicContact CB-CE1 3.66Å; R113-F200 HydrophobicContact CB-CE2 4.34Å; R113-F200 HydrophobicContact CB-CG 4.33Å; R113-F200 HydrophobicContact CB-CZ 3.91Å; R113-F200 HydrophobicContact CG-CD1 4.14Å; R113-F200 HydrophobicContact CG-CE1 4.43Å; R113-F200 HydrophobicContact CG-CG 4.31Å; R113-F200 VanDerWaalsContact N-CZ 3.29Å; G198-F200 PolarHBondContact O-N 2.94Å; F200-Y202 PolarHBondContact O-N 2.96Å; F200-K203 HydrophobicContact CD1-CD 4.4Å; F200-K203 CarbonylContact O-C 3.53Å; F200-K203 WeakPolarHBondContact O-CA 3.33Å; F200-K203 PolarHBondContact O-N 3.39Å; F200-C204 PolarHBondContact O-SG 3.02Å
201D97.1Very high98.2Very high94 Ų9442.3 Ų42.350%0.50325%0.252SS..G310 helixtrans-61.5-26.5173.9-70-19.6000112.3R124 D199 K203R124-D201 WeakPolarHBondContact CD-OD2 3.39Å; R124-D201 IonicContact CZ-OD1 3.11Å; R124-D201 IonicContact CZ-OD2 3.49Å; R124-D201 VanDerWaalsContact NE-CG 3.35Å; R124-D201 IonicContact NE-OD1 3.67Å; R124-D201 PolarHBondContact NE-OD1 3.34Å; R124-D201 VanDerWaalsContact NE-OD1 3.15Å; R124-D201 IonicContact NE-OD2 2.68Å; R124-D201 PolarHBondContact NE-OD2 3.43Å; R124-D201 IonicContact NH2-OD1 2.74Å; R124-D201 PolarHBondContact NH2-OD1 3.42Å; D199-D201 PolarHBondContact O-N 3.39Å; D201-K203 VanDerWaalsContact C-N 3.31Å
202Y98.6Very high98.4Very high46 Ų4645.7 Ų45.718%0.1827%0.267CS..G310 helixtrans-87.4-0.5174.8-67-91.7000113.3V187 S190 L191 D199 F200 L214 V215V187-Y202 HydrophobicContact CB-CE1 4.41Å; V187-Y202 HydrophobicContact CG1-CD1 4.03Å; V187-Y202 HydrophobicContact CG1-CE1 4.12Å; S190-Y202 VanDerWaalsContact CB-OH 3.23Å; S190-Y202 WeakPolarHBondContact CB-OH 3.21Å; L191-Y202 HydrophobicContact CB-CE1 4.33Å; L191-Y202 HydrophobicContact CD2-CD2 4.43Å; L191-Y202 HydrophobicContact CD2-CE2 4.42Å; D199-Y202 HydrophobicContact CB-CD2 4.12Å; D199-Y202 WeakPolarHBondContact O-CB 3.34Å; D199-Y202 PolarHBondContact O-N 3.02Å; F200-Y202 PolarHBondContact O-N 2.96Å; Y202-L214 HydrophobicContact CD1-CB 4.22Å; Y202-L214 HydrophobicContact CD1-CD1 4.2Å; Y202-L214 VanDerWaalsContact O-CB 3.3Å; Y202-L214 WeakPolarHBondContact O-CB 3.36Å; Y202-L214 PolarHBondContact O-N 3Å; Y202-L214 VanDerWaalsContact O-N 3.16Å; Y202-V215 HydrophobicContact CD1-CG2 4.15Å; Y202-V215 HydrophobicContact CG-CG2 3.83Å
203K98.6Very high98.5Very high7 Ų744.7 Ų44.73%0.0326%0.258CS..SBendtrans-122.939.4-173.9-60176.9178.7170.50111.7D109 R113 A196 G198 F200 D201 Q213 V215D109-K203 IonicContact OD1-NZ 2.78Å; D109-K203 PolarHBondContact OD1-NZ 2.93Å; D109-K203 WeakPolarHBondContact OD2-CD 3.25Å; D109-K203 IonicContact OD2-NZ 3.14Å; D109-K203 PolarHBondContact OD2-NZ 3.26Å; R113-K203 PolarHBondContact NH1-O 2.94Å; R113-K203 VanDerWaalsContact NH1-O 3.17Å; R113-K203 PolarHBondContact NH2-O 3.05Å; A196-K203 PolarHBondContact O-NZ 3.24Å; G198-K203 WeakPolarHBondContact O-CD 3.46Å; G198-K203 WeakPolarHBondContact O-CE 3.45Å; G198-K203 PolarHBondContact O-NZ 3.12Å; F200-K203 HydrophobicContact CD1-CD 4.4Å; F200-K203 CarbonylContact O-C 3.53Å; F200-K203 WeakPolarHBondContact O-CA 3.33Å; F200-K203 PolarHBondContact O-N 3.39Å; D201-K203 VanDerWaalsContact C-N 3.31Å; K203-Q213 VanDerWaalsContact CA-OE1 3.3Å; K203-Q213 HydrophobicContact CB-CB 4.24Å; K203-Q213 HydrophobicContact CB-CG 4.03Å; K203-Q213 HydrophobicContact CG-CB 4.09Å; K203-Q213 HydrophobicContact CG-CG 4.32Å; K203-V215 VanDerWaalsContact CE-O 3.28Å; K203-V215 WeakPolarHBondContact CE-O 3.26Å; K203-V215 WeakPolarHBondContact CG-O 3.34Å
204C98.2Very high98.5Very high78 Ų7845.1 Ų45.153%0.52726%0.259SS..  trans-121.217.9-177.3-70.80000113.1F200 H206F200-C204 PolarHBondContact O-SG 3.02Å; C204-H206 PolarHBondContact O-N 2.97Å
205V98.5Very high98.5Very high37 Ų3745.1 Ų45.122%0.22426%0.259CS..  trans-76.7110.8-179.8-175.60000109.6A178 K208 Q213 L214A178-V205 HydrophobicContact CB-CG2 4.28Å; A178-V205 WeakPolarHBondContact O-CG1 3.48Å; V205-K208 HydrophobicContact CB-CB 4.33Å; V205-K208 HydrophobicContact CB-CG 4.28Å; V205-K208 HydrophobicContact CG1-CB 4.25Å; V205-K208 HydrophobicContact CG1-CG 3.69Å; V205-K208 PolarHBondContact O-N 3.43Å; V205-Q213 PolarHBondContact O-NE2 3.46Å; V205-L214 HydrophobicContact CG2-CD1 4.38Å; V205-L214 HydrophobicContact CG2-CG 4.06Å
206H98.1Very high98.5Very high186 Ų18643.3 Ų43.386%0.86125%0.253SS*.THydrogen-bonded Turntrans-62.1140.1177.3-67.9-65.9000112C204 K208C204-H206 PolarHBondContact O-N 2.97Å; H206-K208 VanDerWaalsContact C-N 3.26Å; H206-K208 PolarHBondContact O-N 2.89Å
207G98.2Very high98.5Very high86 Ų8643.3 Ų43.389%0.88725%0.253SS*.THydrogen-bonded Turntrans78.55.4179.900000114.7
208K98.5Very high98.5Very high70 Ų7045.5 Ų45.530%0.30426%0.263SS..  trans-112.4138.6173.3-67.1-59.1-170.1173.60110.6N177 V205 H206 E212 Q213N177-K208 WeakPolarHBondContact O-CE 3.21Å; N177-K208 PolarHBondContact O-NZ 2.88Å; V205-K208 HydrophobicContact CB-CB 4.33Å; V205-K208 HydrophobicContact CB-CG 4.28Å; V205-K208 HydrophobicContact CG1-CB 4.25Å; V205-K208 HydrophobicContact CG1-CG 3.69Å; V205-K208 PolarHBondContact O-N 3.43Å; H206-K208 VanDerWaalsContact C-N 3.26Å; H206-K208 PolarHBondContact O-N 2.89Å; K208-E212 HydrophobicContact CB-CB 4Å; K208-E212 HydrophobicContact CD-CB 4.04Å; K208-E212 HydrophobicContact CG-CB 4.48Å; K208-Q213 PolarHBondContact O-NE2 3.41Å
209G98.5Very high98.5Very high26 Ų2646 Ų4627%0.26827%0.266SS..  trans-66.6172.3172.200000112.4T211 E212 Q213G209-T211 VanDerWaalsContact C-N 3.26Å; G209-T211 PolarHBondContact O-N 3.24Å; G209-E212 PolarHBondContact N-OE2 3.28Å; G209-E212 PolarHBondContact O-N 2.75Å; G209-E212 VanDerWaalsContact O-N 3.11Å; G209-Q213 WeakPolarHBondContact O-CG 3.31Å; G209-Q213 PolarHBondContact O-NE2 2.98Å; G209-Q213 VanDerWaalsContact O-NE2 3.14Å
210P98.6Very high98.5Very high87 Ų8748.5 Ų48.557%0.56528%0.277SS*.G310 helixtrans-58-34.7-177.5-26.134.9000114.2Q213 P217P210-Q213 WeakPolarHBondContact O-CG 3.02Å; P210-P217 WeakPolarHBondContact O-CD 3.09Å
211T98.8Very high98.6Very high32 Ų3248.2 Ų48.220%0.19628%0.278CS..G310 helixtrans-90.9-3.6-177.966.40000113.2L106 R174 G209 E218L106-T211 HydrophobicContact CD1-CG2 4.33Å; L106-T211 HydrophobicContact CD2-CG2 3.77Å; R174-T211 WeakPolarHBondContact CD-O 3.2Å; G209-T211 VanDerWaalsContact C-N 3.26Å; G209-T211 PolarHBondContact O-N 3.24Å; T211-E218 HydrophobicContact CG2-CB 3.76Å; T211-E218 HydrophobicContact CG2-CG 4.17Å
212E98.8Very high98.7Very high91 Ų9147.1 Ų47.143%0.42527%0.27SS..G310 helixtrans-10511179.8-55.1179.8118.500112.3A178 K208 G209A178-E212 WeakPolarHBondContact CB-O 3.35Å; K208-E212 HydrophobicContact CB-CB 4Å; K208-E212 HydrophobicContact CD-CB 4.04Å; K208-E212 HydrophobicContact CG-CB 4.48Å; G209-E212 PolarHBondContact N-OE2 3.28Å; G209-E212 PolarHBondContact O-N 2.75Å; G209-E212 VanDerWaalsContact O-N 3.11Å
213Q98.9Very high98.7Very high11 Ų1147.4 Ų47.45%0.05127%0.274CS..SBendtrans-74.8177.1178.8-64.6-60.2-42.400112.2R174 K203 V205 K208 G209 P210 V215R174-Q213 WeakPolarHBondContact CD-O 3.33Å; R174-Q213 PolarHBondContact NE-O 3.27Å; K203-Q213 VanDerWaalsContact CA-OE1 3.3Å; K203-Q213 HydrophobicContact CB-CB 4.24Å; K203-Q213 HydrophobicContact CB-CG 4.03Å; K203-Q213 HydrophobicContact CG-CB 4.09Å; K203-Q213 HydrophobicContact CG-CG 4.32Å; V205-Q213 PolarHBondContact O-NE2 3.46Å; K208-Q213 PolarHBondContact O-NE2 3.41Å; G209-Q213 WeakPolarHBondContact O-CG 3.31Å; G209-Q213 PolarHBondContact O-NE2 2.98Å; G209-Q213 VanDerWaalsContact O-NE2 3.14Å; P210-Q213 WeakPolarHBondContact O-CG 3.02Å; Q213-V215 VanDerWaalsContact C-N 3.26Å; Q213-V215 WeakPolarHBondContact CB-O 3.2Å; Q213-V215 PolarHBondContact O-N 2.86Å
214L98.8Very high98.7Very high17 Ų1748 Ų489%0.08928%0.278CS..SBendtrans-63.8-36.2174.9-62.8168.2000111.5R174 I175 A178 V187 Y202 V205R174-L214 PolarHBondContact NH2-O 3.3Å; I175-L214 WeakPolarHBondContact CG1-O 3.44Å; I175-L214 HydrophobicContact CG2-CD2 4.24Å; A178-L214 HydrophobicContact CB-CD2 3.84Å; A178-L214 HydrophobicContact CB-CG 4.25Å; V187-L214 HydrophobicContact CG1-CB 4.12Å; Y202-L214 HydrophobicContact CD1-CB 4.22Å; Y202-L214 HydrophobicContact CD1-CD1 4.2Å; Y202-L214 VanDerWaalsContact O-CB 3.3Å; Y202-L214 WeakPolarHBondContact O-CB 3.36Å; Y202-L214 PolarHBondContact O-N 3Å; Y202-L214 VanDerWaalsContact O-N 3.16Å; V205-L214 HydrophobicContact CG2-CD1 4.38Å; V205-L214 HydrophobicContact CG2-CG 4.06Å
215V98.8Very high98.7Very high0 Ų051 Ų510%028%0.284CS..SBendtrans-120.8124.4172.3175.80000107.9L191 S194 A196 D199 Y202 K203 Q213L191-V215 HydrophobicContact CD2-CG2 3.43Å; L191-V215 VanDerWaalsContact CD2-CG2 3.43Å; S194-V215 WeakPolarHBondContact O-CA 3.29Å; A196-V215 HydrophobicContact CB-CG1 3.96Å; D199-V215 HydrophobicContact CB-CG1 4.38Å; Y202-V215 HydrophobicContact CD1-CG2 4.15Å; Y202-V215 HydrophobicContact CG-CG2 3.83Å; K203-V215 VanDerWaalsContact CE-O 3.28Å; K203-V215 WeakPolarHBondContact CE-O 3.26Å; K203-V215 WeakPolarHBondContact CG-O 3.34Å; Q213-V215 VanDerWaalsContact C-N 3.26Å; Q213-V215 WeakPolarHBondContact CB-O 3.2Å; Q213-V215 PolarHBondContact O-N 2.86Å
216S98.9Very high98.7Very high1 Ų151.5 Ų51.51%0.00728%0.282CS..BIsolated β-bridgetrans-94.8137.4-179.3-178.30000111.2S194 R195 A196 E218S194-S216 PolarHBondContact O-N 2.68Å; S194-S216 VanDerWaalsContact O-N 3.17Å; R195-S216 CarbonylContact C-O 3.53Å; R195-S216 WeakPolarHBondContact CA-O 3.48Å; R195-S216 VanDerWaalsContact CB-O 3.23Å; R195-S216 WeakPolarHBondContact CB-O 3.42Å; A196-S216 PolarHBondContact N-O 3.27Å; A196-S216 VanDerWaalsContact N-O 3.07Å; S216-E218 VanDerWaalsContact C-N 3.29Å; S216-E218 VanDerWaalsContact OG-CB 3.29Å; S216-E218 WeakPolarHBondContact OG-CB 3.41Å; S216-E218 PolarHBondContact OG-N 3.35Å; S216-E218 VanDerWaalsContact OG-N 3.12Å
217P98.9Very high98.8Very high0 Ų043.9 Ų43.90%025%0.249CC..  trans-83.2-2.1168.132.4-32000113.3L106 D109 L197 P210 P219L106-P217 HydrophobicContact CD2-CB 4.4Å; L106-P217 HydrophobicContact CD2-CG 3.71Å; D109-P217 HydrophobicContact CB-CB 3.91Å; D109-P217 HydrophobicContact CB-CG 4.36Å; L197-P217 HydrophobicContact CD2-CB 4.03Å; P210-P217 WeakPolarHBondContact O-CD 3.09Å; P217-P219 WeakPolarHBondContact O-CD 3.36Å
218E98.9Very high98.8Very high48 Ų4844.2 Ų44.222%0.22423%0.228CC..PPolyproline II helixtrans-70.3118.5-173.5-170.4167.7-127.100112.1R102 R195 T211 S216R102-E218 HydrophobicContact CG-CG 4.43Å; R102-E218 IonicContact CZ-OE1 3.5Å; R102-E218 IonicContact NE-OE1 3.72Å; R102-E218 PolarHBondContact NE-OE1 3.33Å; R102-E218 IonicContact NH2-OE1 2.76Å; R102-E218 PolarHBondContact NH2-OE1 3.1Å; R195-E218 VanDerWaalsContact CD-O 3.26Å; R195-E218 WeakPolarHBondContact CD-O 3.48Å; R195-E218 PolarHBondContact NH1-O 2.93Å; T211-E218 HydrophobicContact CG2-CB 3.76Å; T211-E218 HydrophobicContact CG2-CG 4.17Å; S216-E218 VanDerWaalsContact C-N 3.29Å; S216-E218 VanDerWaalsContact OG-CB 3.29Å; S216-E218 WeakPolarHBondContact OG-CB 3.41Å; S216-E218 PolarHBondContact OG-N 3.35Å; S216-E218 VanDerWaalsContact OG-N 3.12Å
219P98.9Very high98.8Very high10 Ų1048 Ų487%0.06525%0.247CC..PPolyproline II helixtrans-76.6153.2177.633.5-35.7000110.9I101 F105 I142 N143 C144 P217 V221I101-P219 HydrophobicContact CG2-CB 4.48Å; I101-P219 HydrophobicContact CG2-CG 4Å; F105-P219 HydrophobicContact CB-CG 3.91Å; F105-P219 HydrophobicContact CD1-CB 4.02Å; F105-P219 HydrophobicContact CD1-CG 4.11Å; F105-P219 HydrophobicContact CD2-CB 4.05Å; F105-P219 HydrophobicContact CD2-CG 3.67Å; F105-P219 HydrophobicContact CE1-CB 4.05Å; F105-P219 HydrophobicContact CE2-CB 4.06Å; F105-P219 HydrophobicContact CE2-CG 4.15Å; F105-P219 HydrophobicContact CG-CB 4.01Å; F105-P219 HydrophobicContact CG-CG 3.63Å; F105-P219 HydrophobicContact CZ-CB 4.06Å; I142-P219 HydrophobicContact CG2-CB 3.99Å; N143-P219 CarbonylContact O-C 3.41Å; N143-P219 VanDerWaalsContact O-CA 3.31Å; N143-P219 WeakPolarHBondContact O-CA 3.34Å; C144-P219 HydrophobicContact CB-CB 4.36Å; P217-P219 WeakPolarHBondContact O-CD 3.36Å; P219-V221 HydrophobicContact CB-CG2 4.44Å; P219-V221 HydrophobicContact CG-CG2 4.38Å
220E98.8Very high98.8Very high60 Ų6049.9 Ų49.928%0.2825%0.251SS..EExtended strand (participates in β ladder)trans-93.1131.4161.6-173.6172.3-152.300109.2I142 N143 H222I142-E220 WeakPolarHBondContact CA-O 3.32Å; N143-E220 PolarHBondContact N-O 2.9Å; N143-E220 PolarHBondContact O-N 3.31Å; E220-H222 VanDerWaalsContact CD-CE1 3.47Å; E220-H222 IonicContact OE1-CE1 2.67Å; E220-H222 PolarHBondContact OE1-CE1 3.38Å
221V98.9Very high98.8Very high25 Ų2545.8 Ų45.815%0.15222%0.224CC..EExtended strand (participates in β ladder)trans-126.2119.1-176.5-170.70000111.1K98 I101 F141 I142 P219K98-V221 HydrophobicContact CG-CB 4.24Å; K98-V221 HydrophobicContact CG-CG1 3.89Å; I101-V221 HydrophobicContact CB-CG2 4.02Å; I101-V221 HydrophobicContact CD1-CG1 3.76Å; I101-V221 HydrophobicContact CD1-CG2 4.35Å; I101-V221 HydrophobicContact CG2-CG2 3.53Å; F141-V221 CarbonylContact O-C 3.53Å; F141-V221 VanDerWaalsContact O-CA 3.28Å; F141-V221 WeakPolarHBondContact O-CA 3.43Å; I142-V221 HydrophobicContact CG1-CG1 4.45Å; P219-V221 HydrophobicContact CB-CG2 4.44Å; P219-V221 HydrophobicContact CG-CG2 4.38Å
222H98.9Very high98.8Very high72 Ų7245.2 Ų45.233%0.33322%0.219SC..EExtended strand (participates in β ladder)trans-112.6125.2175.5-75.486.8000110Y140 F141 F159 E220Y140-H222 CarbonylContact C-O 3.55Å; Y140-H222 WeakPolarHBondContact CA-O 3.44Å; F141-H222 HydrophobicContact CB-CB 4.49Å; F141-H222 PolarHBondContact N-O 2.88Å; F141-H222 PolarHBondContact O-N 3.02Å; F159-H222 HydrophobicContact CE1-CB 4.36Å; F159-H222 HydrophobicContact CE2-CB 3.76Å; F159-H222 AromaticContact CE2-CD2 3.78Å; F159-H222 AromaticContact CE2-CG 3.61Å; F159-H222 HydrophobicContact CZ-CB 3.53Å; F159-H222 AromaticContact CZ-CG 3.56Å; F159-H222 AromaticContact CZ-ND1 3.73Å; E220-H222 VanDerWaalsContact CD-CE1 3.47Å; E220-H222 IonicContact OE1-CE1 2.67Å; E220-H222 PolarHBondContact OE1-CE1 3.38Å
223D98.9Very high98.8Very high51 Ų5140.9 Ų40.927%0.27320%0.199SC..EExtended strand (participates in β ladder)trans-92.9140.6169.892.692.7000110.2V94 K98 H138 Y140V94-D223 HydrophobicContact CG1-CB 4.14Å; K98-D223 WeakPolarHBondContact CE-OD2 3.45Å; K98-D223 IonicContact NZ-OD2 2.8Å; K98-D223 PolarHBondContact NZ-OD2 3.2Å; H138-D223 IonicContact CD2-OD1 3.94Å; H138-D223 PolarHBondContact CD2-OD1 2.88Å; Y140-D223 HydrophobicContact CD1-CB 3.44Å; Y140-D223 VanDerWaalsContact CD1-CB 3.44Å; Y140-D223 HydrophobicContact CE1-CB 3.43Å; Y140-D223 VanDerWaalsContact CE1-CB 3.43Å; Y140-D223 HydrophobicContact CG-CB 4.5Å
224I98.9Very high98.8Very high19 Ų1940.4 Ų40.410%0.09720%0.197CC..EExtended strand (participates in β ladder)trans-133.4120.6176.7-54.7177.2000106.9H138 T139 F141 L151 F159 R226H138-I224 CarbonylContact C-O 3.52Å; H138-I224 WeakPolarHBondContact CA-O 3.48Å; T139-I224 PolarHBondContact N-O 2.67Å; T139-I224 PolarHBondContact O-N 3.15Å; F141-I224 HydrophobicContact CD2-CD1 3.78Å; F141-I224 HydrophobicContact CE2-CD1 3.9Å; L151-I224 HydrophobicContact CD2-CD1 4.2Å; L151-I224 HydrophobicContact CD2-CG2 4.19Å; F159-I224 HydrophobicContact CB-CD1 3.4Å; F159-I224 VanDerWaalsContact CB-CD1 3.4Å; F159-I224 HydrophobicContact CD1-CD1 3.74Å; F159-I224 HydrophobicContact CD2-CD1 3.96Å; F159-I224 HydrophobicContact CG-CD1 3.41Å; F159-I224 VanDerWaalsContact CG-CD1 3.41Å; I224-R226 PolarHBondContact O-N 3.34Å
225E98.8Very high98.8Very high141 Ų14139.6 Ų39.666%0.65919%0.193SC*.EExtended strand (participates in β ladder)trans-58.8130.8169.1-69.9-177.7-172.700110.1R153R153-E225 PolarHBondContact NH1-O 2.88Å; R153-E225 PolarHBondContact NH2-O 3.33Å
226R98.9Very high98.8Very high48 Ų4839.6 Ų39.618%0.18119%0.193CC..  trans-69.6139.8178.6-72.3177.657.8-176.8-6.9110.3S135 Q137 I224 E228 D231S135-R226 VanDerWaalsContact O-CD 3.29Å; S135-R226 WeakPolarHBondContact O-CD 3.47Å; S135-R226 PolarHBondContact O-NH1 2.79Å; Q137-R226 WeakPolarHBondContact O-CB 3.39Å; Q137-R226 PolarHBondContact O-N 2.83Å; I224-R226 PolarHBondContact O-N 3.34Å; R226-E228 IonicContact NH2-OE2 3.97Å; R226-D231 WeakPolarHBondContact CA-OD2 3.49Å
227S98.8Very high98.8Very high26 Ų2639.6 Ų39.618%0.18219%0.192CC..  trans-113.6104.7167.6178.60000107.4R153 E229 D230 D231R153-S227 VanDerWaalsContact NH2-N 3.18Å; S227-E229 PolarHBondContact O-N 3.48Å; S227-D230 PolarHBondContact O-N 2.75Å; S227-D230 WeakPolarHBondContact OG-CB 3.41Å; S227-D230 PolarHBondContact OG-N 3.48Å; S227-D230 PolarHBondContact OG-OD2 3.24Å; S227-D231 PolarHBondContact N-OD2 2.85Å; S227-D231 WeakPolarHBondContact O-CB 3.19Å; S227-D231 PolarHBondContact O-N 3.19Å
228E98.2Very high98.8Very high94 Ų9439.6 Ų39.644%0.43919%0.192SC..THydrogen-bonded Turntrans-57-36.8179-174.363.2-165.800111.4R226 P292 N293R226-E228 IonicContact NH2-OE2 3.97Å; E228-P292 VanDerWaalsContact OE1-CG 3.29Å; E228-P292 WeakPolarHBondContact OE1-CG 3.39Å; E228-N293 PolarHBondContact O-ND2 3.11Å
229E98.4Very high98.8Very high148 Ų14838.4 Ų38.469%0.69219%0.188SC*.THydrogen-bonded Turntrans-74.1-34.2-178.7-58.6-57.6144.700113.2S227S227-E229 PolarHBondContact O-N 3.48Å
230D98.7Very high98.8Very high66 Ų6637.9 Ų37.935%0.35318%0.184SC..THydrogen-bonded Turntrans-110.2-24-168.9-56.4-63.5000114.6R153 N154 S227 Q232R153-D230 CarbonylContact C-O 3.17Å; R153-D230 WeakPolarHBondContact CA-O 3.47Å; R153-D230 HydrophobicContact CG-CB 3.37Å; R153-D230 WeakPolarHBondContact CG-O 3.14Å; N154-D230 HydrophobicContact CB-CB 4.38Å; N154-D230 PolarHBondContact N-O 3.41Å; S227-D230 PolarHBondContact O-N 2.75Å; S227-D230 WeakPolarHBondContact OG-CB 3.41Å; S227-D230 PolarHBondContact OG-N 3.48Å; S227-D230 PolarHBondContact OG-OD2 3.24Å; D230-Q232 WeakPolarHBondContact O-CG 3.39Å; D230-Q232 PolarHBondContact O-N 2.89Å
231D98.9Very high98.8Very high1 Ų135 Ų351%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-66.3126.1-179.3-78.5-30.1000110.2R153 R226 S227 F291R153-D231 IonicContact CZ-OD1 3.5Å; R153-D231 IonicContact CZ-OD2 2.86Å; R153-D231 IonicContact NE-OD1 3.49Å; R153-D231 PolarHBondContact NE-OD1 2.66Å; R153-D231 IonicContact NH2-OD1 2.78Å; R153-D231 PolarHBondContact NH2-OD1 2.89Å; R153-D231 IonicContact NH2-OD2 3.47Å; R153-D231 PolarHBondContact NH2-OD2 3.35Å; R226-D231 WeakPolarHBondContact CA-OD2 3.49Å; S227-D231 PolarHBondContact N-OD2 2.85Å; S227-D231 WeakPolarHBondContact O-CB 3.19Å; S227-D231 PolarHBondContact O-N 3.19Å; D231-F291 HydrophobicContact CB-CB 4.21Å; D231-F291 HydrophobicContact CB-CD1 4.26Å; D231-F291 HydrophobicContact CB-CD2 3.74Å; D231-F291 HydrophobicContact CB-CE2 4.09Å; D231-F291 HydrophobicContact CB-CG 3.82Å; D231-F291 WeakPolarHBondContact O-CB 3.26Å
232Q98.9Very high98.8Very high21 Ų2134.5 Ų34.510%0.09817%0.166CC..EExtended strand (participates in β ladder)trans-109.9-63.1-175-60.4-151.3-7700111.2C152 R155 D230 F291 N293 A294C152-Q232 HydrophobicContact CB-CB 4.46Å; C152-Q232 WeakPolarHBondContact O-CB 3.46Å; C152-Q232 PolarHBondContact O-N 2.95Å; R155-Q232 VanDerWaalsContact CA-OE1 3.24Å; D230-Q232 WeakPolarHBondContact O-CG 3.39Å; D230-Q232 PolarHBondContact O-N 2.89Å; Q232-F291 PolarHBondContact O-N 2.8Å; Q232-N293 PolarHBondContact NE2-O 2.86Å; Q232-A294 VanDerWaalsContact O-CB 3.27Å; Q232-A294 WeakPolarHBondContact O-CB 3.46Å
233F98.9Very high98.8Very high0 Ų036.6 Ų36.60%018%0.18CC..EExtended strand (participates in β ladder)trans-158.3159.9-179.956.9-97.2000112.2C152 I235 V254 R255 L258 L288 I289 P295C152-F233 HydrophobicContact CB-CD1 4.03Å; C152-F233 HydrophobicContact CB-CD2 3.7Å; C152-F233 HydrophobicContact CB-CE1 3.77Å; C152-F233 HydrophobicContact CB-CE2 3.4Å; C152-F233 VanDerWaalsContact CB-CE2 3.4Å; C152-F233 HydrophobicContact CB-CG 4.01Å; C152-F233 HydrophobicContact CB-CZ 3.44Å; C152-F233 VanDerWaalsContact CB-CZ 3.44Å; C152-F233 PolarHBondContact N-O 2.8Å; C152-F233 PolarHBondContact O-N 2.84Å; C152-F233 VanDerWaalsContact SG-CZ 3.57Å; F233-I235 HydrophobicContact CD2-CD1 4.29Å; F233-I235 HydrophobicContact CD2-CG1 3.97Å; F233-I235 HydrophobicContact CE2-CD1 3.89Å; F233-I235 HydrophobicContact CE2-CG1 4.09Å; F233-V254 HydrophobicContact CD2-CG1 4.1Å; F233-V254 HydrophobicContact CE1-CG1 4.4Å; F233-V254 HydrophobicContact CE2-CB 4.26Å; F233-V254 HydrophobicContact CE2-CG1 3.81Å; F233-V254 HydrophobicContact CZ-CB 4.34Å; F233-V254 HydrophobicContact CZ-CG1 3.97Å; F233-R255 HydrophobicContact CE1-CB 4.24Å; F233-R255 HydrophobicContact CZ-CB 4.34Å; F233-L258 HydrophobicContact CD1-CD1 3.78Å; F233-L258 HydrophobicContact CE1-CD1 4.13Å; F233-L258 HydrophobicContact CG-CD1 4.35Å; F233-L288 HydrophobicContact CB-CD1 3.99Å; F233-L288 HydrophobicContact CD2-CD1 3.99Å; F233-L288 HydrophobicContact CG-CD1 4.18Å; F233-I289 CarbonylContact C-O 3.52Å; F233-I289 WeakPolarHBondContact CA-O 3.4Å; F233-I289 WeakPolarHBondContact CB-O 3.36Å; F233-P295 HydrophobicContact CE1-CG 4.27Å
234I99Very high98.7Very high0 Ų035.9 Ų35.90%018%0.177CC..EExtended strand (participates in β ladder)trans-116.1141.1171.2-68.1162.4000108.3V132 I134 T139 F141 L150 L151 L236 I289 F291V132-I234 HydrophobicContact CG1-CD1 4.3Å; V132-I234 HydrophobicContact CG1-CG2 4.17Å; V132-I234 HydrophobicContact CG2-CD1 4.34Å; V132-I234 HydrophobicContact CG2-CG2 4.33Å; I134-I234 HydrophobicContact CD1-CD1 4.17Å; T139-I234 HydrophobicContact CG2-CD1 3.69Å; F141-I234 HydrophobicContact CE1-CG2 4.02Å; F141-I234 HydrophobicContact CE2-CD1 4.48Å; F141-I234 HydrophobicContact CZ-CD1 4.16Å; F141-I234 HydrophobicContact CZ-CG1 3.96Å; F141-I234 HydrophobicContact CZ-CG2 3.97Å; L150-I234 VanDerWaalsContact O-CA 3.25Å; L150-I234 WeakPolarHBondContact O-CA 3.25Å; L150-I234 WeakPolarHBondContact O-CG2 3.45Å; L151-I234 HydrophobicContact CB-CG1 4.47Å; L151-I234 HydrophobicContact CD1-CD1 4.27Å; L151-I234 HydrophobicContact CD1-CG1 3.66Å; I234-L236 HydrophobicContact CG2-CD2 4.07Å; I234-L236 HydrophobicContact CG2-CG 4.22Å; I234-I289 HydrophobicContact CB-CB 4.3Å; I234-I289 HydrophobicContact CB-CD1 4.12Å; I234-I289 HydrophobicContact CG2-CD1 3.95Å; I234-I289 PolarHBondContact N-O 3.36Å; I234-I289 PolarHBondContact O-N 3.46Å; I234-F291 HydrophobicContact CD1-CE2 3.61Å; I234-F291 HydrophobicContact CD1-CZ 3.71Å; I234-F291 HydrophobicContact CG1-CE2 3.85Å; I234-F291 HydrophobicContact CG1-CZ 4.46Å
235I99Very high98.7Very high1 Ų135 Ų351%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-116.1130.2170.2-54.3173.1000107.3G149 L150 F233 W242 L250 V254 V286 I287 L288G149-I235 CarbonylContact C-O 3.52Å; G149-I235 WeakPolarHBondContact CA-O 3.17Å; L150-I235 HydrophobicContact CD1-CD1 4.31Å; L150-I235 HydrophobicContact CD1-CG1 4.46Å; L150-I235 HydrophobicContact CG-CB 4.25Å; L150-I235 PolarHBondContact N-O 3.24Å; L150-I235 PolarHBondContact O-N 3.28Å; F233-I235 HydrophobicContact CD2-CD1 4.29Å; F233-I235 HydrophobicContact CD2-CG1 3.97Å; F233-I235 HydrophobicContact CE2-CD1 3.89Å; F233-I235 HydrophobicContact CE2-CG1 4.09Å; I235-W242 HydrophobicContact CB-CH2 4.49Å; I235-W242 HydrophobicContact CG2-CH2 4.15Å; I235-W242 HydrophobicContact CG2-CZ2 4.14Å; I235-L250 HydrophobicContact CD1-CD2 4.16Å; I235-L250 HydrophobicContact CD1-CG 3.97Å; I235-L250 HydrophobicContact CG2-CD2 3.98Å; I235-V254 HydrophobicContact CD1-CB 4.1Å; I235-V254 HydrophobicContact CD1-CG1 4.37Å; I235-V254 HydrophobicContact CD1-CG2 3.68Å; I235-V286 HydrophobicContact CG2-CG2 3.82Å; I235-I287 WeakPolarHBondContact CA-O 3.48Å; I235-L288 HydrophobicContact CG1-CD1 4.11Å
236L99Very high98.7Very high0 Ų029.6 Ų29.60%016%0.155CC..EExtended strand (participates in β ladder)trans-117.7129.5166.4-56176.8000107.7F56 V58 V130 V132 I234 V286 I287 I289F56-L236 HydrophobicContact CB-CD1 3.8Å; F56-L236 WeakPolarHBondContact O-CD1 3.17Å; V58-L236 HydrophobicContact CG2-CB 3.95Å; V130-L236 HydrophobicContact CG1-CB 4.41Å; V130-L236 HydrophobicContact CG2-CD2 4.44Å; V132-L236 HydrophobicContact CG1-CD2 4.3Å; V132-L236 HydrophobicContact CG2-CD1 4.29Å; I234-L236 HydrophobicContact CG2-CD2 4.07Å; I234-L236 HydrophobicContact CG2-CG 4.22Å; L236-V286 CarbonylContact O-C 3.43Å; L236-V286 VanDerWaalsContact O-CA 3.27Å; L236-V286 WeakPolarHBondContact O-CA 3.28Å; L236-I287 HydrophobicContact CB-CB 4.31Å; L236-I287 HydrophobicContact CD1-CD1 4.44Å; L236-I287 PolarHBondContact N-O 2.91Å; L236-I287 PolarHBondContact O-N 3.41Å; L236-I289 HydrophobicContact CD1-CD1 4.26Å; L236-I289 HydrophobicContact CG-CD1 4.24Å
237A98.9Very high98.7Very high0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-152.7158.7175.600000112.7R148 I241 W242 S285 V286R148-A237 PolarHBondContact N-O 3.37Å; R148-A237 PolarHBondContact O-N 2.9Å; R148-A237 VanDerWaalsContact O-O 3.12Å; A237-I241 HydrophobicContact CB-CB 3.83Å; A237-I241 HydrophobicContact CB-CG1 3.83Å; A237-I241 HydrophobicContact CB-CG2 4.11Å; A237-W242 HydrophobicContact CB-CZ2 4.07Å; A237-W242 PolarHBondContact O-NE1 2.86Å; A237-S285 WeakPolarHBondContact CA-O 3.45Å; A237-S285 VanDerWaalsContact CB-O 3.29Å; A237-S285 WeakPolarHBondContact CB-O 3.38Å; A237-V286 HydrophobicContact CB-CB 4.16Å; A237-V286 HydrophobicContact CB-CG2 4.18Å
238C98.8Very high98.7Very high0 Ų032.3 Ų32.30%017%0.168CC..  trans-75.4170.3169.963.10000112.4V58 D60 S147 G240 I241 S285V58-C238 HydrophobicContact CG1-CB 4.3Å; D60-C238 HydrophobicContact CB-CB 3.95Å; D60-C238 WeakPolarHBondContact OD2-CB 3.46Å; S147-C238 WeakPolarHBondContact OG-CA 3.39Å; C238-G240 PolarHBondContact O-N 2.86Å; C238-I241 PolarHBondContact O-N 3.09Å; C238-I241 VanDerWaalsContact O-N 3.1Å; C238-S285 PolarHBondContact N-O 3.42Å; C238-S285 PolarHBondContact SG-N 2.77Å
239D98.6Very high98.7Very high23 Ų2331.9 Ų31.912%0.12317%0.165CC..Hα-helixtrans-63.6-25.5-178.673.8-13.5000112.4I241 W242 D243D239-I241 CarbonylContact O-C 3.47Å; D239-I241 PolarHBondContact O-N 3.06Å; D239-W242 PolarHBondContact O-N 2.84Å; D239-D243 VanDerWaalsContact O-CB 3.26Å; D239-D243 WeakPolarHBondContact O-CB 3.12Å; D239-D243 PolarHBondContact O-N 2.81Å
240G98.6Very high98.8Very high0 Ų024.8 Ų24.80%013%0.132CC..Hα-helixtrans-53.1-21.1170.900000114.4C238 S280 M284C238-G240 PolarHBondContact O-N 2.86Å; G240-S280 VanDerWaalsContact O-CB 3.22Å; G240-S280 WeakPolarHBondContact O-CB 3.48Å; G240-S280 PolarHBondContact O-OG 2.95Å; G240-M284 WeakPolarHBondContact O-CG 3.45Å
241I98.9Very high98.8Very high0 Ų021.7 Ų21.70%012%0.116CC..Hα-helixtrans-92.2-50.5168.5-61.1-59.3000111.5A237 C238 D239 D243 V244 M245 L250 V271 V272 C275 M284A237-I241 HydrophobicContact CB-CB 3.83Å; A237-I241 HydrophobicContact CB-CG1 3.83Å; A237-I241 HydrophobicContact CB-CG2 4.11Å; C238-I241 PolarHBondContact O-N 3.09Å; C238-I241 VanDerWaalsContact O-N 3.1Å; D239-I241 CarbonylContact O-C 3.47Å; D239-I241 PolarHBondContact O-N 3.06Å; I241-D243 VanDerWaalsContact C-N 3.31Å; I241-D243 PolarHBondContact O-N 3.25Å; I241-V244 WeakPolarHBondContact O-CG2 3.39Å; I241-V244 PolarHBondContact O-N 3.17Å; I241-M245 PolarHBondContact O-N 3.2Å; I241-L250 HydrophobicContact CG2-CD2 3.71Å; I241-V271 HydrophobicContact CD1-CG1 4.12Å; I241-V271 HydrophobicContact CG2-CG1 4.17Å; I241-V272 HydrophobicContact CD1-CG2 4.32Å; I241-C275 HydrophobicContact CD1-CB 3.77Å; I241-M284 HydrophobicContact CD1-CB 3.9Å; I241-M284 HydrophobicContact CD1-CG 3.77Å; I241-M284 HydrophobicContact CD1-SD 4.08Å; I241-M284 HydrophobicContact CG1-CB 4.49Å; I241-M284 HydrophobicContact CG1-CG 4.41Å
242W98.8Very high98.8Very high14 Ų1424.3 Ų24.35%0.05313%0.13CC..Hα-helixtrans-72.1-20.1-171.3-57.2113.6000114.8R148 L150 I235 A237 D239 V244 L250R148-W242 HydrophobicContact CB-CD2 4.09Å; R148-W242 HydrophobicContact CB-CG 4.04Å; R148-W242 HydrophobicContact CB-CZ2 4.3Å; R148-W242 WeakPolarHBondContact O-CZ2 3.34Å; R148-W242 PolarHBondContact O-NE1 3.09Å; R148-W242 VanDerWaalsContact O-NE1 3.1Å; L150-W242 HydrophobicContact CD2-CH2 3.42Å; L150-W242 VanDerWaalsContact CD2-CH2 3.42Å; L150-W242 HydrophobicContact CD2-CZ3 3.73Å; L150-W242 HydrophobicContact CG-CH2 4.07Å; I235-W242 HydrophobicContact CB-CH2 4.49Å; I235-W242 HydrophobicContact CG2-CH2 4.15Å; I235-W242 HydrophobicContact CG2-CZ2 4.14Å; A237-W242 HydrophobicContact CB-CZ2 4.07Å; A237-W242 PolarHBondContact O-NE1 2.86Å; D239-W242 PolarHBondContact O-N 2.84Å; W242-V244 PolarHBondContact O-N 2.95Å; W242-L250 HydrophobicContact CE3-CD2 4.11Å; W242-L250 HydrophobicContact CH2-CD2 3.49Å; W242-L250 VanDerWaalsContact CH2-CD2 3.49Å; W242-L250 HydrophobicContact CZ2-CD2 4.17Å; W242-L250 HydrophobicContact CZ3-CB 4.15Å; W242-L250 HydrophobicContact CZ3-CD2 3.45Å; W242-L250 VanDerWaalsContact CZ3-CD2 3.45Å; W242-L250 HydrophobicContact CZ3-CG 4.4Å
243D98.2Very high98.8Very high115 Ų11523.4 Ų23.462%0.61513%0.125SC*.THydrogen-bonded Turntrans-66.5-22.2175.7-87.71.5000112.4D239 I241D239-D243 VanDerWaalsContact O-CB 3.26Å; D239-D243 WeakPolarHBondContact O-CB 3.12Å; D239-D243 PolarHBondContact O-N 2.81Å; I241-D243 VanDerWaalsContact C-N 3.31Å; I241-D243 PolarHBondContact O-N 3.25Å
244V98.7Very high98.8Very high36 Ų3623.6 Ų23.622%0.21813%0.127CC..THydrogen-bonded Turntrans-123.2-8.1-175.7-61.60000114.3I241 W242 C275 K278I241-V244 WeakPolarHBondContact O-CG2 3.39Å; I241-V244 PolarHBondContact O-N 3.17Å; W242-V244 PolarHBondContact O-N 2.95Å; V244-C275 HydrophobicContact CG2-CB 3.56Å; V244-K278 HydrophobicContact CB-CB 3.97Å; V244-K278 HydrophobicContact CG2-CB 4.22Å
245M98.7Very high98.8Very high1 Ų124.8 Ų24.81%0.00513%0.131CC..SBendtrans-137.1125174.8-68.6-169.169.400111.1I241 E249 L250 F253 T274 K278I241-M245 PolarHBondContact O-N 3.2Å; M245-E249 HydrophobicContact CE-CB 4.4Å; M245-L250 HydrophobicContact CB-CB 4.31Å; M245-L250 HydrophobicContact CE-CB 4.26Å; M245-L250 HydrophobicContact CE-CD1 3.87Å; M245-L250 HydrophobicContact SD-CD1 3.95Å; M245-F253 HydrophobicContact CE-CB 3.9Å; M245-F253 HydrophobicContact CE-CD1 4.21Å; M245-F253 HydrophobicContact CE-CG 4.17Å; M245-T274 HydrophobicContact SD-CG2 4.04Å; M245-K278 HydrophobicContact CG-CD 3.68Å; M245-K278 HydrophobicContact SD-CD 4.15Å
246G98.6Very high98.7Very high28 Ų2825.5 Ų25.529%0.28914%0.136SC..  trans-70.2167.5174.700000113.2E248 E249 L250G246-E248 PolarHBondContact O-N 2.84Å; G246-E249 PolarHBondContact N-OE2 3.45Å; G246-E249 PolarHBondContact O-N 2.86Å; G246-L250 WeakPolarHBondContact O-CB 3.15Å; G246-L250 PolarHBondContact O-N 3.18Å
247N98.8Very high98.7Very high17 Ų1726 Ų269%0.09114%0.138CC..Hα-helixtrans-57.4-51.1-178.2-63.6-16.7000112R148 L150 V157 F160 C251R148-N247 WeakPolarHBondContact CD-OD1 3.44Å; R148-N247 PolarHBondContact NH1-OD1 2.82Å; L150-N247 HydrophobicContact CD2-CB 4.23Å; V157-N247 HydrophobicContact CG1-CB 4.5Å; V157-N247 HydrophobicContact CG2-CB 4.38Å; F160-N247 WeakPolarHBondContact CD2-ND2 3.42Å; F160-N247 WeakPolarHBondContact CG-ND2 3.42Å; N247-C251 WeakPolarHBondContact O-CB 3.48Å; N247-C251 PolarHBondContact O-N 3.26Å
248E98.7Very high98.7Very high114 Ų11426.2 Ų26.253%0.53314%0.139SC..Hα-helixtrans-66.8-42.1179.7-70.371.7-162.900111.4V157 G246 L250 C251 D252V157-E248 HydrophobicContact CG2-CG 4.36Å; G246-E248 PolarHBondContact O-N 2.84Å; E248-L250 PolarHBondContact O-N 3.13Å; E248-C251 PolarHBondContact O-N 3.34Å; E248-D252 WeakPolarHBondContact O-CB 3.32Å; E248-D252 VanDerWaalsContact O-CG 3.3Å; E248-D252 PolarHBondContact O-N 3.41Å
249E98.6Very high98.7Very high84 Ų8428.5 Ų28.539%0.39315%0.15SC..Hα-helixtrans-60.1-48178.4-67.4-175.7137.600111.5M245 G246 D252 F253M245-E249 HydrophobicContact CE-CB 4.4Å; G246-E249 PolarHBondContact N-OE2 3.45Å; G246-E249 PolarHBondContact O-N 2.86Å; E249-D252 PolarHBondContact O-N 2.95Å; E249-F253 VanDerWaalsContact O-CB 3.27Å; E249-F253 WeakPolarHBondContact O-CB 3.37Å; E249-F253 PolarHBondContact O-N 2.83Å
250L98.9Very high98.7Very high0 Ų028.9 Ų28.90%015%0.153CC..Hα-helixtrans-70-38.5-179.6-172.762.3000111.8I235 I241 W242 M245 G246 E248 F253 V254 V271I235-L250 HydrophobicContact CD1-CD2 4.16Å; I235-L250 HydrophobicContact CD1-CG 3.97Å; I235-L250 HydrophobicContact CG2-CD2 3.98Å; I241-L250 HydrophobicContact CG2-CD2 3.71Å; W242-L250 HydrophobicContact CE3-CD2 4.11Å; W242-L250 HydrophobicContact CH2-CD2 3.49Å; W242-L250 VanDerWaalsContact CH2-CD2 3.49Å; W242-L250 HydrophobicContact CZ2-CD2 4.17Å; W242-L250 HydrophobicContact CZ3-CB 4.15Å; W242-L250 HydrophobicContact CZ3-CD2 3.45Å; W242-L250 VanDerWaalsContact CZ3-CD2 3.45Å; W242-L250 HydrophobicContact CZ3-CG 4.4Å; M245-L250 HydrophobicContact CB-CB 4.31Å; M245-L250 HydrophobicContact CE-CB 4.26Å; M245-L250 HydrophobicContact CE-CD1 3.87Å; M245-L250 HydrophobicContact SD-CD1 3.95Å; G246-L250 WeakPolarHBondContact O-CB 3.15Å; G246-L250 PolarHBondContact O-N 3.18Å; E248-L250 PolarHBondContact O-N 3.13Å; L250-F253 HydrophobicContact CD1-CD1 4.4Å; L250-F253 PolarHBondContact O-N 3.3Å; L250-V254 HydrophobicContact CD1-CG2 4.21Å; L250-V254 HydrophobicContact CG-CG2 4.4Å; L250-V254 WeakPolarHBondContact O-CB 3.33Å; L250-V254 WeakPolarHBondContact O-CG2 3.28Å; L250-V254 PolarHBondContact O-N 2.83Å; L250-V271 HydrophobicContact CD1-CB 4.46Å; L250-V271 HydrophobicContact CD1-CG1 3.72Å; L250-V271 HydrophobicContact CD1-CG2 3.91Å
251C98.8Very high98.8Very high1 Ų129.8 Ų29.81%0.00716%0.158CC..Hα-helixtrans-61.1-44.8175.5-174.70000111.8L150 V157 N247 E248 R255L150-C251 HydrophobicContact CD1-CB 4.49Å; V157-C251 HydrophobicContact CG2-CB 3.73Å; N247-C251 WeakPolarHBondContact O-CB 3.48Å; N247-C251 PolarHBondContact O-N 3.26Å; E248-C251 PolarHBondContact O-N 3.34Å; C251-R255 WeakPolarHBondContact O-CB 3.42Å; C251-R255 PolarHBondContact O-N 2.98Å; C251-R255 VanDerWaalsContact O-N 3.07Å
252D98.8Very high98.7Very high56 Ų5634.3 Ų34.330%0.29918%0.183SC..Hα-helixtrans-67.6-41.4177.4-74.7-2.9000111.9E248 E249 R255 S256 P347E248-D252 WeakPolarHBondContact O-CB 3.32Å; E248-D252 VanDerWaalsContact O-CG 3.3Å; E248-D252 PolarHBondContact O-N 3.41Å; E249-D252 PolarHBondContact O-N 2.95Å; D252-R255 PolarHBondContact O-N 3.33Å; D252-R255 IonicContact OD1-CZ 3.79Å; D252-R255 IonicContact OD1-NH1 3.85Å; D252-R255 PolarHBondContact OD1-NH1 3Å; D252-R255 IonicContact OD1-NH2 2.96Å; D252-R255 PolarHBondContact OD1-NH2 2.8Å; D252-R255 IonicContact OD2-NH2 2.63Å; D252-S256 PolarHBondContact O-N 3.12Å; D252-P347 HydrophobicContact CB-CB 4.21Å; D252-P347 HydrophobicContact CB-CG 4.26Å
253F98.9Very high98.7Very high1 Ų136.6 Ų36.60%0.00420%0.196CC..Hα-helixtrans-60.9-54.7176.4-178.2-116.7000111.3M245 E249 L250 R255 S256 R257 E270 V271 T274 P346 P347 S353M245-F253 HydrophobicContact CE-CB 3.9Å; M245-F253 HydrophobicContact CE-CD1 4.21Å; M245-F253 HydrophobicContact CE-CG 4.17Å; E249-F253 VanDerWaalsContact O-CB 3.27Å; E249-F253 WeakPolarHBondContact O-CB 3.37Å; E249-F253 PolarHBondContact O-N 2.83Å; L250-F253 HydrophobicContact CD1-CD1 4.4Å; L250-F253 PolarHBondContact O-N 3.3Å; F253-R255 VanDerWaalsContact C-N 3.29Å; F253-R255 PolarHBondContact O-N 3.44Å; F253-S256 WeakPolarHBondContact O-CA 3.25Å; F253-S256 WeakPolarHBondContact O-CB 3.39Å; F253-S256 PolarHBondContact O-N 2.9Å; F253-S256 PolarHBondContact O-OG 3.49Å; F253-R257 HydrophobicContact CD1-CG 4.44Å; F253-R257 HydrophobicContact CD2-CG 4.36Å; F253-R257 HydrophobicContact CE1-CG 4.05Å; F253-R257 HydrophobicContact CE2-CG 3.97Å; F253-R257 HydrophobicContact CZ-CG 3.81Å; F253-R257 WeakPolarHBondContact O-CG 3.31Å; F253-R257 PolarHBondContact O-N 2.99Å; F253-E270 HydrophobicContact CZ-CB 4.41Å; F253-V271 HydrophobicContact CD1-CG2 3.97Å; F253-V271 HydrophobicContact CE1-CG2 3.9Å; F253-T274 WeakPolarHBondContact CZ-OG1 3.46Å; F253-P346 HydrophobicContact CD2-CB 3.92Å; F253-P346 HydrophobicContact CE2-CB 3.81Å; F253-P347 VanDerWaalsContact CA-O 3.25Å; F253-P347 WeakPolarHBondContact CA-O 3.09Å; F253-P347 VanDerWaalsContact CB-O 3.3Å; F253-P347 WeakPolarHBondContact CB-O 3.23Å; F253-P347 PolarHBondContact N-O 2.87Å; F253-S353 VanDerWaalsContact CE2-CB 3.44Å
254V98.9Very high98.8Very high4 Ų431.2 Ų31.22%0.02417%0.167CC..Hα-helixtrans-56.9-43.2179.1166.10000111.3F233 I235 L250 S256 R257 L258 V267 V271 L288F233-V254 HydrophobicContact CD2-CG1 4.1Å; F233-V254 HydrophobicContact CE1-CG1 4.4Å; F233-V254 HydrophobicContact CE2-CB 4.26Å; F233-V254 HydrophobicContact CE2-CG1 3.81Å; F233-V254 HydrophobicContact CZ-CB 4.34Å; F233-V254 HydrophobicContact CZ-CG1 3.97Å; I235-V254 HydrophobicContact CD1-CB 4.1Å; I235-V254 HydrophobicContact CD1-CG1 4.37Å; I235-V254 HydrophobicContact CD1-CG2 3.68Å; L250-V254 HydrophobicContact CD1-CG2 4.21Å; L250-V254 HydrophobicContact CG-CG2 4.4Å; L250-V254 WeakPolarHBondContact O-CB 3.33Å; L250-V254 WeakPolarHBondContact O-CG2 3.28Å; L250-V254 PolarHBondContact O-N 2.83Å; V254-S256 VanDerWaalsContact C-N 3.34Å; V254-S256 PolarHBondContact O-N 2.84Å; V254-R257 PolarHBondContact O-N 2.88Å; V254-R257 VanDerWaalsContact O-N 3.17Å; V254-L258 HydrophobicContact CG1-CD1 3.91Å; V254-L258 HydrophobicContact CG1-CG 4.31Å; V254-L258 WeakPolarHBondContact O-CG 3.44Å; V254-L258 PolarHBondContact O-N 2.98Å; V254-V267 HydrophobicContact CG1-CG1 4.31Å; V254-V267 HydrophobicContact CG2-CG1 4.48Å; V254-V271 HydrophobicContact CG2-CG2 3.81Å; V254-L288 HydrophobicContact CG1-CD1 3.69Å; V254-L288 HydrophobicContact CG1-CD2 4Å
255R98.8Very high98.8Very high26 Ų2631.5 Ų31.510%0.09817%0.166CC..Hα-helixtrans-59.5-44.1174.9-178.917072.4-111.7-2112R155 F233 C251 D252 F253 R257 L258 E259 P295R155-R255 PolarHBondContact O-NH1 3.42Å; F233-R255 HydrophobicContact CE1-CB 4.24Å; F233-R255 HydrophobicContact CZ-CB 4.34Å; C251-R255 WeakPolarHBondContact O-CB 3.42Å; C251-R255 PolarHBondContact O-N 2.98Å; C251-R255 VanDerWaalsContact O-N 3.07Å; D252-R255 PolarHBondContact O-N 3.33Å; D252-R255 IonicContact OD1-CZ 3.79Å; D252-R255 IonicContact OD1-NH1 3.85Å; D252-R255 PolarHBondContact OD1-NH1 3Å; D252-R255 IonicContact OD1-NH2 2.96Å; D252-R255 PolarHBondContact OD1-NH2 2.8Å; D252-R255 IonicContact OD2-NH2 2.63Å; F253-R255 VanDerWaalsContact C-N 3.29Å; F253-R255 PolarHBondContact O-N 3.44Å; R255-R257 VanDerWaalsContact C-N 3.26Å; R255-R257 PolarHBondContact O-N 2.86Å; R255-L258 PolarHBondContact O-N 2.97Å; R255-E259 WeakPolarHBondContact O-CG 3.35Å; R255-E259 PolarHBondContact O-N 3.09Å; R255-P295 HydrophobicContact CB-CG 4.47Å; R255-P295 HydrophobicContact CG-CB 4.33Å; R255-P295 HydrophobicContact CG-CG 3.75Å
256S98.8Very high98.8Very high15 Ų1536 Ų3611%0.10519%0.185CC..Hα-helixtrans-61.3-35.5177.283.50000112.4D252 F253 V254D252-S256 PolarHBondContact O-N 3.12Å; F253-S256 WeakPolarHBondContact O-CA 3.25Å; F253-S256 WeakPolarHBondContact O-CB 3.39Å; F253-S256 PolarHBondContact O-N 2.9Å; F253-S256 PolarHBondContact O-OG 3.49Å; V254-S256 VanDerWaalsContact C-N 3.34Å; V254-S256 PolarHBondContact O-N 2.84Å
257R98.9Very high98.8Very high11 Ų1134.6 Ų34.64%0.04217%0.172CC..Hα-helixtrans-75.1-40.1178.7-59.2-55.586.7-171-7111.6F253 V254 R255 E259 V260 T261 V267 E270 E305F253-R257 HydrophobicContact CD1-CG 4.44Å; F253-R257 HydrophobicContact CD2-CG 4.36Å; F253-R257 HydrophobicContact CE1-CG 4.05Å; F253-R257 HydrophobicContact CE2-CG 3.97Å; F253-R257 HydrophobicContact CZ-CG 3.81Å; F253-R257 WeakPolarHBondContact O-CG 3.31Å; F253-R257 PolarHBondContact O-N 2.99Å; V254-R257 PolarHBondContact O-N 2.88Å; V254-R257 VanDerWaalsContact O-N 3.17Å; R255-R257 VanDerWaalsContact C-N 3.26Å; R255-R257 PolarHBondContact O-N 2.86Å; R257-E259 PolarHBondContact O-N 2.81Å; R257-V260 WeakPolarHBondContact O-CA 3.45Å; R257-V260 WeakPolarHBondContact O-CB 3.47Å; R257-V260 PolarHBondContact O-N 2.93Å; R257-T261 WeakPolarHBondContact O-CG2 3.39Å; R257-T261 PolarHBondContact O-N 3.27Å; R257-V267 HydrophobicContact CB-CB 4.44Å; R257-V267 HydrophobicContact CB-CG1 3.87Å; R257-V267 HydrophobicContact CB-CG2 3.94Å; R257-E270 WeakPolarHBondContact CD-OE2 3.13Å; R257-E270 WeakPolarHBondContact CG-OE2 3.21Å; R257-E305 IonicContact CZ-OE1 3.16Å; R257-E305 IonicContact CZ-OE2 2.76Å; R257-E305 VanDerWaalsContact NH1-CD 3.3Å; R257-E305 IonicContact NH1-OE1 2.67Å; R257-E305 PolarHBondContact NH1-OE1 3.1Å; R257-E305 IonicContact NH1-OE2 3.66Å; R257-E305 PolarHBondContact NH1-OE2 2.91Å; R257-E305 IonicContact NH2-OE1 3.54Å; R257-E305 IonicContact NH2-OE2 3.61Å; R257-E305 PolarHBondContact NH2-OE2 3.35Å
258L98.8Very high98.8Very high4 Ų433.9 Ų33.92%0.02117%0.168CC..Hα-helixtrans-63-28.3173.5-72173.3000113.3F233 V254 R255 V260 T261 L264 V267 L288 P295F233-L258 HydrophobicContact CD1-CD1 3.78Å; F233-L258 HydrophobicContact CE1-CD1 4.13Å; F233-L258 HydrophobicContact CG-CD1 4.35Å; V254-L258 HydrophobicContact CG1-CD1 3.91Å; V254-L258 HydrophobicContact CG1-CG 4.31Å; V254-L258 WeakPolarHBondContact O-CG 3.44Å; V254-L258 PolarHBondContact O-N 2.98Å; R255-L258 PolarHBondContact O-N 2.97Å; L258-V260 PolarHBondContact O-N 2.9Å; L258-T261 WeakPolarHBondContact CA-O 3.2Å; L258-L264 HydrophobicContact CD2-CD2 3.55Å; L258-V267 HydrophobicContact CD2-CG2 4.22Å; L258-L288 HydrophobicContact CD2-CD2 4.23Å; L258-P295 HydrophobicContact CB-CB 4.06Å; L258-P295 HydrophobicContact CB-CG 4.48Å; L258-P295 HydrophobicContact CD1-CG 4.39Å
259E98.9Very high98.8Very high49 Ų4930 Ų3023%0.22915%0.15CC..THydrogen-bonded Turntrans-72.6-13.2171.9-71.9176.7-172.800112.4R155 R255 R257 P295 V297 S298 A301R155-E259 IonicContact CZ-OE1 2.75Å; R155-E259 IonicContact NH1-OE1 2.86Å; R155-E259 PolarHBondContact NH1-OE1 2.86Å; R155-E259 IonicContact NH2-OE1 3.35Å; R155-E259 PolarHBondContact NH2-OE1 3.21Å; R155-E259 VanDerWaalsContact NH2-OE1 3.15Å; R255-E259 WeakPolarHBondContact O-CG 3.35Å; R255-E259 PolarHBondContact O-N 3.09Å; R257-E259 PolarHBondContact O-N 2.81Å; E259-P295 HydrophobicContact CG-CB 4.11Å; E259-V297 CarbonylContact O-C 3.58Å; E259-V297 WeakPolarHBondContact O-CA 3.26Å; E259-S298 PolarHBondContact O-N 3.32Å; E259-A301 HydrophobicContact CB-CB 3.96Å; E259-A301 WeakPolarHBondContact O-CB 3.35Å
260V98.8Very high98.8Very high30 Ų3027.9 Ų27.918%0.18214%0.141CC..THydrogen-bonded Turntrans-105.8-35.8178.81760000112.5R257 L258 A301 V302 E305R257-V260 WeakPolarHBondContact O-CA 3.45Å; R257-V260 WeakPolarHBondContact O-CB 3.47Å; R257-V260 PolarHBondContact O-N 2.93Å; L258-V260 PolarHBondContact O-N 2.9Å; V260-A301 HydrophobicContact CG2-CB 4.24Å; V260-V302 HydrophobicContact CG1-CG2 4.49Å; V260-V302 WeakPolarHBondContact O-CG2 3.4Å; V260-E305 HydrophobicContact CG1-CB 4.23Å; V260-E305 HydrophobicContact CG1-CG 4.08Å; V260-E305 HydrophobicContact CG2-CB 4.15Å; V260-E305 HydrophobicContact CG2-CG 4.43Å
261T98.7Very high98.8Very high19 Ų1928 Ų2812%0.11714%0.141CC..  trans-143.1145.2-176.9-178.50000111R257 L258 D263 K266 V267R257-T261 WeakPolarHBondContact O-CG2 3.39Å; R257-T261 PolarHBondContact O-N 3.27Å; L258-T261 WeakPolarHBondContact CA-O 3.2Å; T261-D263 WeakPolarHBondContact OG1-CB 3.35Å; T261-D263 PolarHBondContact OG1-N 2.78Å; T261-K266 HydrophobicContact CG2-CD 4.31Å; T261-V267 HydrophobicContact CG2-CG2 3.7Å
262D98.5Very high98.8Very high96 Ų9628 Ų2851%0.51314%0.141SC..  trans-97.6-4.9170.864.4-16.7000113R23 L264 V297R23-D262 PolarHBondContact NH2-O 3.45Å; D262-L264 PolarHBondContact O-N 3Å; D262-V297 HydrophobicContact CB-CG2 4.03Å
263D98.8Very high98.8Very high62 Ų6226.2 Ų26.233%0.33213%0.132SC..  trans-67.6105.9170.1-177.9-19.6000110.3T261 E265 K266 V267T261-D263 WeakPolarHBondContact OG1-CB 3.35Å; T261-D263 PolarHBondContact OG1-N 2.78Å; D263-E265 PolarHBondContact OD1-N 3.47Å; D263-E265 VanDerWaalsContact OD1-N 3.09Å; D263-K266 HydrophobicContact CB-CB 3.88Å; D263-K266 PolarHBondContact O-N 2.96Å; D263-K266 PolarHBondContact OD1-N 3.07Å; D263-V267 WeakPolarHBondContact O-CG2 3.19Å; D263-V267 PolarHBondContact O-N 3.33Å; D263-V267 VanDerWaalsContact O-N 3.16Å
264L98.9Very high98.8Very high2 Ų226.3 Ų26.31%0.0113%0.132CC..Hα-helixtrans-75.7-30-174.6-57.2-174.9000112.4R23 Y24 L258 D262 K266 V267 C268 L288 C290R23-L264 HydrophobicContact CB-CD1 3.75Å; Y24-L264 VanDerWaalsContact C-CD1 3.47Å; L258-L264 HydrophobicContact CD2-CD2 3.55Å; D262-L264 PolarHBondContact O-N 3Å; L264-K266 VanDerWaalsContact C-N 3.32Å; L264-V267 PolarHBondContact O-N 3.2Å; L264-C268 WeakPolarHBondContact O-CB 3.3Å; L264-C268 PolarHBondContact O-N 3.49Å; L264-C268 PolarHBondContact O-SG 2.53Å; L264-L288 HydrophobicContact CD2-CD2 4.04Å; L264-C290 HydrophobicContact CD1-CB 4.28Å
265E98.9Very high98.8Very high42 Ų4226.1 Ų26.120%0.19613%0.131CC..Hα-helixtrans-64.6-42.7173.2-61.5-17614900109.5N14 A15 Q16 D263 V267 C268 N269N14-E265 HydrophobicContact CB-CB 4.18Å; N14-E265 HydrophobicContact CB-CG 4.07Å; A15-E265 WeakPolarHBondContact CA-OE1 3.11Å; A15-E265 PolarHBondContact N-OE1 3.36Å; Q16-E265 HydrophobicContact CB-CG 3.82Å; Q16-E265 HydrophobicContact CG-CG 4.14Å; Q16-E265 WeakPolarHBondContact CG-OE1 3.36Å; Q16-E265 PolarHBondContact N-OE1 3.48Å; D263-E265 PolarHBondContact OD1-N 3.47Å; D263-E265 VanDerWaalsContact OD1-N 3.09Å; E265-V267 PolarHBondContact O-N 2.98Å; E265-C268 PolarHBondContact O-N 2.94Å; E265-N269 WeakPolarHBondContact O-CB 3.41Å; E265-N269 PolarHBondContact O-N 3.3Å; E265-N269 PolarHBondContact O-ND2 3.05Å
266K98.8Very high98.8Very high94 Ų9425.3 Ų25.341%0.40913%0.129SC..Hα-helixtrans-60-45.7175-178.6173.1175.7176.80112.5T261 D263 L264 C268 N269 E270T261-K266 HydrophobicContact CG2-CD 4.31Å; D263-K266 HydrophobicContact CB-CB 3.88Å; D263-K266 PolarHBondContact O-N 2.96Å; D263-K266 PolarHBondContact OD1-N 3.07Å; L264-K266 VanDerWaalsContact C-N 3.32Å; K266-C268 VanDerWaalsContact C-N 3.32Å; K266-C268 PolarHBondContact O-N 2.88Å; K266-N269 PolarHBondContact O-N 3.43Å; K266-E270 WeakPolarHBondContact CE-OE1 3.39Å; K266-E270 WeakPolarHBondContact O-CG 3.44Å; K266-E270 PolarHBondContact O-N 3.34Å
267V98.9Very high98.8Very high0 Ų026.7 Ų26.70%013%0.132CC..Hα-helixtrans-61.1-42.7176.6177.20000111V254 R257 L258 T261 D263 L264 E265 E270 V271 L288V254-V267 HydrophobicContact CG1-CG1 4.31Å; V254-V267 HydrophobicContact CG2-CG1 4.48Å; R257-V267 HydrophobicContact CB-CB 4.44Å; R257-V267 HydrophobicContact CB-CG1 3.87Å; R257-V267 HydrophobicContact CB-CG2 3.94Å; L258-V267 HydrophobicContact CD2-CG2 4.22Å; T261-V267 HydrophobicContact CG2-CG2 3.7Å; D263-V267 WeakPolarHBondContact O-CG2 3.19Å; D263-V267 PolarHBondContact O-N 3.33Å; D263-V267 VanDerWaalsContact O-N 3.16Å; L264-V267 PolarHBondContact O-N 3.2Å; E265-V267 PolarHBondContact O-N 2.98Å; V267-E270 PolarHBondContact O-N 3.49Å; V267-V271 WeakPolarHBondContact O-CG2 3.41Å; V267-V271 PolarHBondContact O-N 3.45Å; V267-L288 HydrophobicContact CB-CD2 4.03Å; V267-L288 HydrophobicContact CG1-CD2 3.67Å
268C98.9Very high98.8Very high1 Ų129.3 Ų29.31%0.00714%0.144CC..Hα-helixtrans-62.7-42.4175.9-72.40000112.4G25 L264 E265 K266 E270 V271 V272 V286 L288G25-C268 PolarHBondContact O-SG 2.88Å; G25-C268 VanDerWaalsContact O-SG 3.4Å; L264-C268 WeakPolarHBondContact O-CB 3.3Å; L264-C268 PolarHBondContact O-N 3.49Å; L264-C268 PolarHBondContact O-SG 2.53Å; E265-C268 PolarHBondContact O-N 2.94Å; K266-C268 VanDerWaalsContact C-N 3.32Å; K266-C268 PolarHBondContact O-N 2.88Å; C268-E270 VanDerWaalsContact C-N 3.33Å; C268-E270 PolarHBondContact O-N 3.38Å; C268-V271 WeakPolarHBondContact O-CB 3.46Å; C268-V271 PolarHBondContact O-N 3.46Å; C268-V272 WeakPolarHBondContact O-CG2 3.35Å; C268-V272 PolarHBondContact O-N 3.36Å; C268-V286 HydrophobicContact CB-CG1 3.84Å; C268-L288 VanDerWaalsContact SG-CB 3.54Å
269N98.9Very high98.8Very high32 Ų3231.4 Ų31.417%0.17117%0.166CC..Hα-helixtrans-60.9-42.6174.6-71-40.9000111.7K12 N14 S27 E265 K266 V271 V272 D273K12-N269 WeakPolarHBondContact CB-OD1 3.33Å; K12-N269 WeakPolarHBondContact CD-OD1 3.44Å; K12-N269 WeakPolarHBondContact CG-OD1 3.26Å; N14-N269 PolarHBondContact ND2-ND2 3.25Å; N14-N269 VanDerWaalsContact ND2-ND2 3.14Å; N14-N269 PolarHBondContact ND2-OD1 3.4Å; N14-N269 PolarHBondContact OD1-OD1 3.46Å; S27-N269 PolarHBondContact OG-OD1 2.82Å; E265-N269 WeakPolarHBondContact O-CB 3.41Å; E265-N269 PolarHBondContact O-N 3.3Å; E265-N269 PolarHBondContact O-ND2 3.05Å; K266-N269 PolarHBondContact O-N 3.43Å; N269-V271 VanDerWaalsContact C-N 3.33Å; N269-V271 PolarHBondContact O-N 3.29Å; N269-V272 PolarHBondContact O-N 2.87Å; N269-D273 WeakPolarHBondContact O-CB 3.43Å; N269-D273 PolarHBondContact O-N 3.01Å
270E98.9Very high98.8Very high41 Ų4129.4 Ų29.419%0.19216%0.157CC..Hα-helixtrans-62.5-38.7176.8-73.1171.4170.400111.7F253 R257 K266 V267 C268 T274F253-E270 HydrophobicContact CZ-CB 4.41Å; R257-E270 WeakPolarHBondContact CD-OE2 3.13Å; R257-E270 WeakPolarHBondContact CG-OE2 3.21Å; K266-E270 WeakPolarHBondContact CE-OE1 3.39Å; K266-E270 WeakPolarHBondContact O-CG 3.44Å; K266-E270 PolarHBondContact O-N 3.34Å; V267-E270 PolarHBondContact O-N 3.49Å; C268-E270 VanDerWaalsContact C-N 3.33Å; C268-E270 PolarHBondContact O-N 3.38Å; E270-T274 WeakPolarHBondContact O-CB 3.44Å; E270-T274 PolarHBondContact O-N 2.81Å; E270-T274 PolarHBondContact O-OG1 3.39Å
271V98.9Very high98.7Very high2 Ų233.8 Ų33.81%0.01217%0.171CC..Hα-helixtrans-61.8-52.5173168.50000111I241 L250 F253 V254 V267 C268 N269 D273 T274 C275 V286I241-V271 HydrophobicContact CD1-CG1 4.12Å; I241-V271 HydrophobicContact CG2-CG1 4.17Å; L250-V271 HydrophobicContact CD1-CB 4.46Å; L250-V271 HydrophobicContact CD1-CG1 3.72Å; L250-V271 HydrophobicContact CD1-CG2 3.91Å; F253-V271 HydrophobicContact CD1-CG2 3.97Å; F253-V271 HydrophobicContact CE1-CG2 3.9Å; V254-V271 HydrophobicContact CG2-CG2 3.81Å; V267-V271 WeakPolarHBondContact O-CG2 3.41Å; V267-V271 PolarHBondContact O-N 3.45Å; C268-V271 WeakPolarHBondContact O-CB 3.46Å; C268-V271 PolarHBondContact O-N 3.46Å; N269-V271 VanDerWaalsContact C-N 3.33Å; N269-V271 PolarHBondContact O-N 3.29Å; V271-D273 PolarHBondContact O-N 2.77Å; V271-T274 WeakPolarHBondContact O-CB 3.4Å; V271-T274 PolarHBondContact O-N 2.69Å; V271-C275 PolarHBondContact O-N 2.84Å; V271-C275 PolarHBondContact O-SG 2.95Å; V271-V286 HydrophobicContact CG1-CG1 4.39Å; V271-V286 HydrophobicContact CG1-CG2 4.47Å
272V98.9Very high98.7Very high0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-60.5-46.5-177169.60000111.7K12 M29 I241 C268 N269 C275 L276 M284 V286K12-V272 HydrophobicContact CD-CG1 4.32Å; M29-V272 HydrophobicContact CB-CG1 3.55Å; M29-V272 HydrophobicContact CE-CG1 3.42Å; M29-V272 VanDerWaalsContact CE-CG1 3.42Å; M29-V272 HydrophobicContact CG-CG1 4.23Å; M29-V272 HydrophobicContact SD-CG1 3.73Å; I241-V272 HydrophobicContact CD1-CG2 4.32Å; C268-V272 WeakPolarHBondContact O-CG2 3.35Å; C268-V272 PolarHBondContact O-N 3.36Å; N269-V272 PolarHBondContact O-N 2.87Å; V272-C275 PolarHBondContact O-N 3.42Å; V272-L276 PolarHBondContact O-N 3.47Å; V272-M284 HydrophobicContact CG1-CB 4.08Å; V272-M284 HydrophobicContact CG1-SD 4.36Å; V272-M284 HydrophobicContact CG2-CB 4.41Å; V272-V286 HydrophobicContact CG2-CG1 3.75Å
273D98.8Very high98.7Very high20 Ų2030.3 Ų30.311%0.10715%0.152CC..Hα-helixtrans-64.2-41.7176.7-78.3-13.3000111.5K12 N269 V271 C275 L276 Y277 N356K12-D273 VanDerWaalsContact CE-OD1 3.23Å; K12-D273 WeakPolarHBondContact CE-OD1 3.33Å; K12-D273 IonicContact NZ-OD1 3.76Å; K12-D273 PolarHBondContact NZ-OD1 3.05Å; K12-D273 IonicContact NZ-OD2 3.37Å; N269-D273 WeakPolarHBondContact O-CB 3.43Å; N269-D273 PolarHBondContact O-N 3.01Å; V271-D273 PolarHBondContact O-N 2.77Å; D273-C275 VanDerWaalsContact C-N 3.33Å; D273-C275 PolarHBondContact O-N 2.89Å; D273-L276 WeakPolarHBondContact O-CB 3.25Å; D273-L276 PolarHBondContact O-N 2.91Å; D273-Y277 HydrophobicContact CB-CD2 4.31Å; D273-Y277 HydrophobicContact CB-CE2 3.79Å; D273-Y277 WeakPolarHBondContact O-CB 3.44Å; D273-Y277 WeakPolarHBondContact O-CD2 3.4Å; D273-Y277 PolarHBondContact O-N 2.82Å; D273-N356 PolarHBondContact OD2-ND2 3.34Å
274T98.9Very high98.7Very high2 Ų227.4 Ų27.41%0.01214%0.136CC..Hα-helixtrans-59.2-45177.2-61.80000111.3M245 F253 E270 V271 Y277 K278 A352 S353M245-T274 HydrophobicContact SD-CG2 4.04Å; F253-T274 WeakPolarHBondContact CZ-OG1 3.46Å; E270-T274 WeakPolarHBondContact O-CB 3.44Å; E270-T274 PolarHBondContact O-N 2.81Å; E270-T274 PolarHBondContact O-OG1 3.39Å; V271-T274 WeakPolarHBondContact O-CB 3.4Å; V271-T274 PolarHBondContact O-N 2.69Å; T274-Y277 PolarHBondContact O-N 2.91Å; T274-K278 HydrophobicContact CG2-CD 4.13Å; T274-K278 WeakPolarHBondContact O-CG 3.4Å; T274-K278 PolarHBondContact O-N 2.92Å; T274-A352 HydrophobicContact CG2-CB 4.46Å; T274-S353 VanDerWaalsContact OG1-CA 3.27Å; T274-S353 WeakPolarHBondContact OG1-CA 3.44Å; T274-S353 VanDerWaalsContact OG1-CB 3.28Å; T274-S353 WeakPolarHBondContact OG1-CB 3.38Å
275C98.8Very high98.7Very high0 Ų027.4 Ų27.40%014%0.136CC..Hα-helixtrans-65.9-42177.8-71.20000112.3I241 V244 V271 V272 D273 Y277 K278 G279 S280 M284I241-C275 HydrophobicContact CD1-CB 3.77Å; V244-C275 HydrophobicContact CG2-CB 3.56Å; V271-C275 PolarHBondContact O-N 2.84Å; V271-C275 PolarHBondContact O-SG 2.95Å; V272-C275 PolarHBondContact O-N 3.42Å; D273-C275 VanDerWaalsContact C-N 3.33Å; D273-C275 PolarHBondContact O-N 2.89Å; C275-Y277 VanDerWaalsContact C-N 3.27Å; C275-Y277 PolarHBondContact O-N 2.93Å; C275-K278 PolarHBondContact O-N 2.83Å; C275-G279 PolarHBondContact O-N 2.8Å; C275-S280 VanDerWaalsContact O-CB 3.3Å; C275-S280 WeakPolarHBondContact O-CB 3.14Å; C275-S280 PolarHBondContact O-N 2.92Å; C275-M284 HydrophobicContact CB-SD 3.81Å
276L98.8Very high98.7Very high10 Ų1025.6 Ų25.65%0.05213%0.128CC..Hα-helixtrans-55.1-45.3171.9-179.570000111.1P8 M10 M29 W32 V272 D273 G279 M284P8-L276 HydrophobicContact CB-CD1 4.16Å; P8-L276 HydrophobicContact CG-CD2 4.47Å; M10-L276 HydrophobicContact CG-CD2 4.27Å; M10-L276 HydrophobicContact SD-CD2 4.42Å; M29-L276 HydrophobicContact CE-CB 3.97Å; M29-L276 HydrophobicContact CE-CD1 4.11Å; M29-L276 HydrophobicContact CE-CD2 3.85Å; M29-L276 HydrophobicContact CE-CG 4.19Å; M29-L276 HydrophobicContact SD-CD2 4.48Å; W32-L276 VanDerWaalsContact CD1-CD1 3.48Å; V272-L276 PolarHBondContact O-N 3.47Å; D273-L276 WeakPolarHBondContact O-CB 3.25Å; D273-L276 PolarHBondContact O-N 2.91Å; L276-G279 WeakPolarHBondContact O-CA 3.33Å; L276-G279 PolarHBondContact O-N 3.13Å; L276-M284 HydrophobicContact CB-CE 4.03Å; L276-M284 HydrophobicContact CB-SD 4.47Å; L276-M284 HydrophobicContact CD1-CE 3.97Å
277Y98.5Very high98.7Very high44 Ų4421.2 Ų21.217%0.17311%0.109CC..Hα-helixtrans-76.8-21-177.7-57.4-29.2000114.1D273 T274 C275 G279 A352 R355 N356D273-Y277 HydrophobicContact CB-CD2 4.31Å; D273-Y277 HydrophobicContact CB-CE2 3.79Å; D273-Y277 WeakPolarHBondContact O-CB 3.44Å; D273-Y277 WeakPolarHBondContact O-CD2 3.4Å; D273-Y277 PolarHBondContact O-N 2.82Å; T274-Y277 PolarHBondContact O-N 2.91Å; C275-Y277 VanDerWaalsContact C-N 3.27Å; C275-Y277 PolarHBondContact O-N 2.93Å; Y277-G279 PolarHBondContact O-N 2.84Å; Y277-A352 WeakPolarHBondContact CD2-O 3.21Å; Y277-R355 HydrophobicContact CD2-CB 3.56Å; Y277-R355 HydrophobicContact CD2-CG 4.11Å; Y277-R355 HydrophobicContact CE2-CB 3.86Å; Y277-R355 HydrophobicContact CE2-CG 4.22Å; Y277-R355 HydrophobicContact CG-CB 4.11Å; Y277-R355 VanDerWaalsContact CG-CD 3.42Å; Y277-R355 HydrophobicContact CG-CG 4.31Å; Y277-N356 WeakPolarHBondContact CE2-OD1 3.17Å; Y277-N356 PolarHBondContact OH-OD1 3.21Å
278K98.5Very high98.7Very high66 Ų6621.4 Ų21.429%0.28711%0.11SC..THydrogen-bonded Turntrans-75.8-6.2165.7-76.1171.9171.1-92.60112.9V244 M245 T274 C275 G348 A352V244-K278 HydrophobicContact CB-CB 3.97Å; V244-K278 HydrophobicContact CG2-CB 4.22Å; M245-K278 HydrophobicContact CG-CD 3.68Å; M245-K278 HydrophobicContact SD-CD 4.15Å; T274-K278 HydrophobicContact CG2-CD 4.13Å; T274-K278 WeakPolarHBondContact O-CG 3.4Å; T274-K278 PolarHBondContact O-N 2.92Å; C275-K278 PolarHBondContact O-N 2.83Å; K278-G348 WeakPolarHBondContact CE-O 3.33Å; K278-G348 PolarHBondContact NZ-O 2.94Å; K278-A352 HydrophobicContact CG-CB 3.82Å
279G98.1Very high98.7Very high47 Ų4721.3 Ų21.349%0.48511%0.11SC..THydrogen-bonded Turntrans105.712.8172.700000114.6C275 L276 Y277 R281C275-G279 PolarHBondContact O-N 2.8Å; L276-G279 WeakPolarHBondContact O-CA 3.33Å; L276-G279 PolarHBondContact O-N 3.13Å; Y277-G279 PolarHBondContact O-N 2.84Å; G279-R281 WeakPolarHBondContact O-CG 3.2Å; G279-R281 PolarHBondContact O-N 3.48Å
280S98.6Very high98.7Very high7 Ų720 Ų205%0.04910%0.102CC..  trans-60130.8169.2-179.20000109.7G240 C275G240-S280 VanDerWaalsContact O-CB 3.22Å; G240-S280 WeakPolarHBondContact O-CB 3.48Å; G240-S280 PolarHBondContact O-OG 2.95Å; C275-S280 VanDerWaalsContact O-CB 3.3Å; C275-S280 WeakPolarHBondContact O-CB 3.14Å; C275-S280 PolarHBondContact O-N 2.92Å
281R98.3Very high98.7Very high122 Ų12218.3 Ų18.346%0.4610%0.095SC..  trans-11310-179.9-57.1-172.573.4-178.54112.7F4 W32 R33 G279F4-R281 HydrophobicContact CD1-CB 4.33Å; F4-R281 HydrophobicContact CE1-CB 3.7Å; F4-R281 HydrophobicContact CZ-CB 4.33Å; W32-R281 HydrophobicContact CB-CB 4.14Å; W32-R281 WeakPolarHBondContact CB-O 3.41Å; W32-R281 HydrophobicContact CG-CB 4.33Å; W32-R281 HydrophobicContact CG-CG 4.47Å; R33-R281 WeakPolarHBondContact CD-O 3.42Å; G279-R281 WeakPolarHBondContact O-CG 3.2Å; G279-R281 PolarHBondContact O-N 3.48Å
282D98.4Very high98.7Very high41 Ų4120.2 Ų20.222%0.21911%0.107CC..SBendtrans-98.8178.9-176.6-137.4-25.7000113.4R33 M284R33-D282 WeakPolarHBondContact CD-OD1 3.49Å; R33-D282 VanDerWaalsContact CG-OD1 3.3Å; R33-D282 WeakPolarHBondContact CG-OD1 3.45Å; R33-D282 IonicContact CZ-OD1 3.5Å; R33-D282 IonicContact NE-OD1 3.9Å; R33-D282 PolarHBondContact NE-OD1 2.97Å; R33-D282 IonicContact NH2-OD1 2.7Å; D282-M284 WeakPolarHBondContact O-CE 3.33Å
283N98.7Very high98.7Very high2 Ų223.3 Ų23.31%0.01112%0.124CC..  trans-60.8148.6155.9-64.3158.7000109.1Q30 E35 M36 E37Q30-N283 PolarHBondContact O-ND2 2.81Å; E35-N283 PolarHBondContact O-ND2 2.84Å; E35-N283 PolarHBondContact O-OD1 3.09Å; M36-N283 WeakPolarHBondContact CA-OD1 3.37Å; M36-N283 HydrophobicContact SD-CB 3.99Å; E37-N283 PolarHBondContact N-OD1 3.41Å
284M98.9Very high98.7Very high0 Ų022.7 Ų22.70%012%0.121CC..EExtended strand (participates in β ladder)trans-137.9118.6-177.7-79169.7-87.400109.3S28 M29 G240 I241 V272 C275 L276 D282S28-M284 CarbonylContact C-O 3.57Å; S28-M284 VanDerWaalsContact CA-O 3.26Å; S28-M284 WeakPolarHBondContact CA-O 3.3Å; M29-M284 HydrophobicContact CE-CE 3.32Å; M29-M284 HydrophobicContact CE-SD 4.25Å; M29-M284 PolarHBondContact N-O 3.03Å; M29-M284 PolarHBondContact O-N 3.14Å; G240-M284 WeakPolarHBondContact O-CG 3.45Å; I241-M284 HydrophobicContact CD1-CB 3.9Å; I241-M284 HydrophobicContact CD1-CG 3.77Å; I241-M284 HydrophobicContact CD1-SD 4.08Å; I241-M284 HydrophobicContact CG1-CB 4.49Å; I241-M284 HydrophobicContact CG1-CG 4.41Å; V272-M284 HydrophobicContact CG1-CB 4.08Å; V272-M284 HydrophobicContact CG1-SD 4.36Å; V272-M284 HydrophobicContact CG2-CB 4.41Å; C275-M284 HydrophobicContact CB-SD 3.81Å; L276-M284 HydrophobicContact CB-CE 4.03Å; L276-M284 HydrophobicContact CB-SD 4.47Å; L276-M284 HydrophobicContact CD1-CE 3.97Å; D282-M284 WeakPolarHBondContact O-CE 3.33Å
285S98.9Very high98.7Very high3 Ų323.4 Ų23.42%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-126.7135.3172.4-64.20000110.3S27 S28 D38 A237 C238S27-S285 WeakPolarHBondContact O-CA 3.45Å; S28-S285 VanDerWaalsContact CB-OG 3.25Å; S28-S285 WeakPolarHBondContact CB-OG 3.38Å; D38-S285 VanDerWaalsContact CB-OG 3.25Å; D38-S285 WeakPolarHBondContact CB-OG 3.43Å; D38-S285 VanDerWaalsContact OD2-CB 3.27Å; D38-S285 WeakPolarHBondContact OD2-CB 3.44Å; D38-S285 PolarHBondContact OD2-N 2.85Å; D38-S285 PolarHBondContact OD2-OG 2.96Å; A237-S285 WeakPolarHBondContact CA-O 3.45Å; A237-S285 VanDerWaalsContact CB-O 3.29Å; A237-S285 WeakPolarHBondContact CB-O 3.38Å; C238-S285 PolarHBondContact N-O 3.42Å; C238-S285 PolarHBondContact SG-N 2.77Å
286V98.9Very high98.7Very high4 Ų429.5 Ų29.52%0.02415%0.152CC..EExtended strand (participates in β ladder)trans-139.8135.9176.362.40000110.6L26 S27 I235 L236 A237 C268 V271 V272L26-V286 CarbonylContact C-O 3.53Å; L26-V286 WeakPolarHBondContact CA-O 3.44Å; L26-V286 WeakPolarHBondContact CB-O 3.38Å; S27-V286 PolarHBondContact N-O 3.43Å; S27-V286 PolarHBondContact O-N 2.66Å; I235-V286 HydrophobicContact CG2-CG2 3.82Å; L236-V286 CarbonylContact O-C 3.43Å; L236-V286 VanDerWaalsContact O-CA 3.27Å; L236-V286 WeakPolarHBondContact O-CA 3.28Å; A237-V286 HydrophobicContact CB-CB 4.16Å; A237-V286 HydrophobicContact CB-CG2 4.18Å; C268-V286 HydrophobicContact CB-CG1 3.84Å; V271-V286 HydrophobicContact CG1-CG1 4.39Å; V271-V286 HydrophobicContact CG1-CG2 4.47Å; V272-V286 HydrophobicContact CG2-CG1 3.75Å
287I99Very high98.7Very high2 Ų232 Ų321%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-115.6128.7168.2-52178.4000108.1L26 H40 F56 A57 V58 I235 L236 I289L26-I287 HydrophobicContact CB-CB 4.24Å; L26-I287 HydrophobicContact CB-CG1 3.84Å; L26-I287 HydrophobicContact CB-CG2 4.3Å; L26-I287 HydrophobicContact CD2-CG1 4.35Å; H40-I287 HydrophobicContact CB-CD1 4.19Å; F56-I287 HydrophobicContact CB-CD1 4.43Å; F56-I287 HydrophobicContact CD1-CG2 4.14Å; A57-I287 WeakPolarHBondContact O-CD1 3.48Å; V58-I287 HydrophobicContact CG2-CD1 3.83Å; V58-I287 HydrophobicContact CG2-CG1 3.77Å; I235-I287 WeakPolarHBondContact CA-O 3.48Å; L236-I287 HydrophobicContact CB-CB 4.31Å; L236-I287 HydrophobicContact CD1-CD1 4.44Å; L236-I287 PolarHBondContact N-O 2.91Å; L236-I287 PolarHBondContact O-N 3.41Å; I287-I289 HydrophobicContact CB-CD1 4.29Å; I287-I289 HydrophobicContact CG2-CD1 3.63Å; I287-I289 HydrophobicContact CG2-CG1 3.97Å
288L99Very high98.7Very high3 Ų331.9 Ų31.92%0.01617%0.173CC..EExtended strand (participates in β ladder)trans-110.5117.6173.1178.460.5000109.5Y24 G25 F233 I235 V254 L258 L264 V267 C268Y24-L288 CarbonylContact C-O 3.49Å; Y24-L288 WeakPolarHBondContact CA-O 3.38Å; Y24-L288 WeakPolarHBondContact CB-O 3.32Å; G25-L288 PolarHBondContact N-O 3.03Å; G25-L288 PolarHBondContact O-N 3.45Å; F233-L288 HydrophobicContact CB-CD1 3.99Å; F233-L288 HydrophobicContact CD2-CD1 3.99Å; F233-L288 HydrophobicContact CG-CD1 4.18Å; I235-L288 HydrophobicContact CG1-CD1 4.11Å; V254-L288 HydrophobicContact CG1-CD1 3.69Å; V254-L288 HydrophobicContact CG1-CD2 4Å; L258-L288 HydrophobicContact CD2-CD2 4.23Å; L264-L288 HydrophobicContact CD2-CD2 4.04Å; V267-L288 HydrophobicContact CB-CD2 4.03Å; V267-L288 HydrophobicContact CG1-CD2 3.67Å; C268-L288 VanDerWaalsContact SG-CB 3.54Å
289I98.9Very high98.7Very high0 Ų034.1 Ų34.10%020%0.195CC..EExtended strand (participates in β ladder)trans-111.5113.7178-50.691.5000108.6L22 R23 F56 I134 F233 I234 L236 I287L22-I289 HydrophobicContact CB-CG2 4.45Å; L22-I289 HydrophobicContact CD1-CG2 4.39Å; R23-I289 CarbonylContact O-C 3.52Å; F56-I289 HydrophobicContact CB-CD1 4.18Å; F56-I289 HydrophobicContact CB-CG1 4.34Å; F56-I289 HydrophobicContact CD1-CG1 4.05Å; F56-I289 HydrophobicContact CD2-CD1 4.48Å; F56-I289 HydrophobicContact CD2-CG1 3.84Å; F56-I289 HydrophobicContact CD2-CG2 4.48Å; F56-I289 HydrophobicContact CE1-CG1 4.31Å; F56-I289 HydrophobicContact CE2-CG1 4.1Å; F56-I289 HydrophobicContact CE2-CG2 4.05Å; F56-I289 HydrophobicContact CG-CD1 4.2Å; F56-I289 HydrophobicContact CG-CG1 3.8Å; F56-I289 HydrophobicContact CZ-CG1 4.33Å; F56-I289 HydrophobicContact CZ-CG2 4.36Å; I134-I289 HydrophobicContact CD1-CG2 4.23Å; F233-I289 CarbonylContact C-O 3.52Å; F233-I289 WeakPolarHBondContact CA-O 3.4Å; F233-I289 WeakPolarHBondContact CB-O 3.36Å; I234-I289 HydrophobicContact CB-CB 4.3Å; I234-I289 HydrophobicContact CB-CD1 4.12Å; I234-I289 HydrophobicContact CG2-CD1 3.95Å; I234-I289 PolarHBondContact N-O 3.36Å; I234-I289 PolarHBondContact O-N 3.46Å; L236-I289 HydrophobicContact CD1-CD1 4.26Å; L236-I289 HydrophobicContact CG-CD1 4.24Å; I287-I289 HydrophobicContact CB-CD1 4.29Å; I287-I289 HydrophobicContact CG2-CD1 3.63Å; I287-I289 HydrophobicContact CG2-CG1 3.97Å
290C98.9Very high98.7Very high3 Ų337.5 Ų37.52%0.0220%0.198CC..EExtended strand (participates in β ladder)trans-96.7131.7177.9-74.40000111.6R23 L264 A294R23-C290 PolarHBondContact N-O 2.86Å; R23-C290 PolarHBondContact O-N 3.23Å; L264-C290 HydrophobicContact CD1-CB 4.28Å; C290-A294 HydrophobicContact CB-CB 3.79Å
291F98.9Very high98.7Very high6 Ų638 Ų383%0.02620%0.202CC..  trans-83.7170.5168.6-70.3-81000111.2L22 I134 L151 D231 Q232 I234 N293 A294L22-F291 HydrophobicContact CD2-CD1 3.52Å; L22-F291 HydrophobicContact CD2-CE1 3.66Å; L22-F291 HydrophobicContact CD2-CG 4.34Å; I134-F291 HydrophobicContact CD1-CZ 4.42Å; L151-F291 HydrophobicContact CD1-CE2 4.05Å; D231-F291 HydrophobicContact CB-CB 4.21Å; D231-F291 HydrophobicContact CB-CD1 4.26Å; D231-F291 HydrophobicContact CB-CD2 3.74Å; D231-F291 HydrophobicContact CB-CE2 4.09Å; D231-F291 HydrophobicContact CB-CG 3.82Å; D231-F291 WeakPolarHBondContact O-CB 3.26Å; Q232-F291 PolarHBondContact O-N 2.8Å; I234-F291 HydrophobicContact CD1-CE2 3.61Å; I234-F291 HydrophobicContact CD1-CZ 3.71Å; I234-F291 HydrophobicContact CG1-CE2 3.85Å; I234-F291 HydrophobicContact CG1-CZ 4.46Å; F291-N293 PolarHBondContact O-N 2.99Å; F291-A294 VanDerWaalsContact O-CB 3.3Å; F291-A294 WeakPolarHBondContact O-CB 3.41Å; F291-A294 PolarHBondContact O-N 2.92Å
292P98.6Very high98.7Very high42 Ų4235 Ų3527%0.27320%0.198SC..THydrogen-bonded Turntrans-53.1-38.4-180-33.242.1000114.1G21 E228 K296G21-P292 WeakPolarHBondContact O-CD 3.32Å; G21-P292 VanDerWaalsContact O-CG 3.31Å; G21-P292 WeakPolarHBondContact O-CG 3.38Å; E228-P292 VanDerWaalsContact OE1-CG 3.29Å; E228-P292 WeakPolarHBondContact OE1-CG 3.39Å; P292-K296 WeakPolarHBondContact O-CE 3.37Å; P292-K296 PolarHBondContact O-NZ 2.91Å
293N98.5Very high98.7Very high66 Ų6639.4 Ų39.435%0.35322%0.215SC..THydrogen-bonded Turntrans-95.721.7-178.9-72.7-42000114.4E228 Q232 F291E228-N293 PolarHBondContact O-ND2 3.11Å; Q232-N293 PolarHBondContact NE2-O 2.86Å; F291-N293 PolarHBondContact O-N 2.99Å
294A98.8Very high98.7Very high6 Ų644.9 Ų44.95%0.0524%0.238CC..SBendtrans-53.3148.716400000111.4Q232 C290 F291 K296Q232-A294 VanDerWaalsContact O-CB 3.27Å; Q232-A294 WeakPolarHBondContact O-CB 3.46Å; C290-A294 HydrophobicContact CB-CB 3.79Å; F291-A294 VanDerWaalsContact O-CB 3.3Å; F291-A294 WeakPolarHBondContact O-CB 3.41Å; F291-A294 PolarHBondContact O-N 2.92Å; A294-K296 WeakPolarHBondContact O-CD 3.38Å; A294-K296 VanDerWaalsContact O-CE 3.31Å; A294-K296 WeakPolarHBondContact O-CE 3.31Å; A294-K296 PolarHBondContact O-N 3.1Å
295P98.7Very high98.7Very high17 Ų1746 Ų4611%0.1124%0.244CC..  trans-47.5137.6172.2-23.129.8000111.3F233 R255 L258 E259F233-P295 HydrophobicContact CE1-CG 4.27Å; R255-P295 HydrophobicContact CB-CG 4.47Å; R255-P295 HydrophobicContact CG-CB 4.33Å; R255-P295 HydrophobicContact CG-CG 3.75Å; L258-P295 HydrophobicContact CB-CB 4.06Å; L258-P295 HydrophobicContact CB-CG 4.48Å; L258-P295 HydrophobicContact CD1-CG 4.39Å; E259-P295 HydrophobicContact CG-CB 4.11Å
296K98.6Very high98.7Very high128 Ų12848.7 Ų48.756%0.55727%0.266SS*.  trans-104.3154.4179.5-55.3-56.6178.2-168.30109.8P292 A294 S298P292-K296 WeakPolarHBondContact O-CE 3.37Å; P292-K296 PolarHBondContact O-NZ 2.91Å; A294-K296 WeakPolarHBondContact O-CD 3.38Å; A294-K296 VanDerWaalsContact O-CE 3.31Å; A294-K296 WeakPolarHBondContact O-CE 3.31Å; A294-K296 PolarHBondContact O-N 3.1Å; K296-S298 PolarHBondContact O-N 3.36Å; K296-S298 VanDerWaalsContact O-N 3.16Å
297V98.8Very high98.6Very high64 Ų6453.4 Ų53.439%0.38829%0.288SS..  trans-53.6121.8173.7-1790000109.7E259 D262 V302E259-V297 CarbonylContact O-C 3.58Å; E259-V297 WeakPolarHBondContact O-CA 3.26Å; D262-V297 HydrophobicContact CB-CG2 4.03Å; V297-V302 HydrophobicContact CG1-CG2 3.62Å
298S98.6Very high98.6Very high40 Ų4054 Ų5428%0.2829%0.291SS..  trans-102.5123.2178.4170.10000109.2E259 K296 E300 A301 V302E259-S298 PolarHBondContact O-N 3.32Å; K296-S298 PolarHBondContact O-N 3.36Å; K296-S298 VanDerWaalsContact O-N 3.16Å; S298-E300 PolarHBondContact O-N 2.89Å; S298-E300 VanDerWaalsContact O-N 3.12Å; S298-E300 PolarHBondContact OG-N 2.75Å; S298-A301 PolarHBondContact O-N 2.92Å; S298-A301 PolarHBondContact OG-N 2.7Å; S298-V302 WeakPolarHBondContact O-CG2 3.42Å; S298-V302 PolarHBondContact O-N 2.85Å
299P98.6Very high98.6Very high113 Ų11356 Ų5673%0.73430%0.301SS*.Hα-helixtrans-55.3-31.8175.4-26.734.9000113.2K303P299-K303 WeakPolarHBondContact O-CB 3.37Å; P299-K303 PolarHBondContact O-N 3.16Å; P299-K303 VanDerWaalsContact O-N 3.12Å
300E98.5Very high98.6Very high119 Ų11961.2 Ų61.256%0.55632%0.324SS*.Hα-helixtrans-70.4-42.7176.3-171.6-176160.500111.8S298 K303 K304S298-E300 PolarHBondContact O-N 2.89Å; S298-E300 VanDerWaalsContact O-N 3.12Å; S298-E300 PolarHBondContact OG-N 2.75Å; E300-K303 PolarHBondContact O-N 3.35Å; E300-K304 HydrophobicContact CG-CD 4.45Å; E300-K304 WeakPolarHBondContact O-CG 3.43Å; E300-K304 PolarHBondContact O-N 2.96Å; E300-K304 WeakPolarHBondContact OE1-CE 3.23Å; E300-K304 IonicContact OE1-NZ 3.51Å; E300-K304 PolarHBondContact OE1-NZ 3.25Å
301A98.5Very high98.5Very high16 Ų1665.9 Ų65.913%0.13234%0.342CS..Hα-helixtrans-66-42.8178.300000111.4E259 V260 S298 K303 K304 E305E259-A301 HydrophobicContact CB-CB 3.96Å; E259-A301 WeakPolarHBondContact O-CB 3.35Å; V260-A301 HydrophobicContact CG2-CB 4.24Å; S298-A301 PolarHBondContact O-N 2.92Å; S298-A301 PolarHBondContact OG-N 2.7Å; A301-K303 VanDerWaalsContact C-N 3.3Å; A301-K303 PolarHBondContact O-N 2.86Å; A301-K304 PolarHBondContact O-N 3.49Å; A301-E305 WeakPolarHBondContact O-CB 3.1Å; A301-E305 PolarHBondContact O-N 3.47Å
302V98.7Very high98.5Very high61 Ų6165.6 Ų65.637%0.3734%0.341SS..Hα-helixtrans-58.7-42.8174.4175.40000111.3V260 V297 S298 E305 A306V260-V302 HydrophobicContact CG1-CG2 4.49Å; V260-V302 WeakPolarHBondContact O-CG2 3.4Å; V297-V302 HydrophobicContact CG1-CG2 3.62Å; S298-V302 WeakPolarHBondContact O-CG2 3.42Å; S298-V302 PolarHBondContact O-N 2.85Å; V302-E305 PolarHBondContact O-N 2.97Å; V302-A306 PolarHBondContact O-N 2.95Å; V302-A306 VanDerWaalsContact O-N 3.07Å
303K98.5Very high98.5Very high133 Ų13365.4 Ų65.458%0.57834%0.336SS*.Hα-helixtrans-64.8-45.5177.2-172-177.1180-156.80111.9P299 E300 A301 E305 A306 E307P299-K303 WeakPolarHBondContact O-CB 3.37Å; P299-K303 PolarHBondContact O-N 3.16Å; P299-K303 VanDerWaalsContact O-N 3.12Å; E300-K303 PolarHBondContact O-N 3.35Å; A301-K303 VanDerWaalsContact C-N 3.3Å; A301-K303 PolarHBondContact O-N 2.86Å; K303-E305 VanDerWaalsContact C-N 3.31Å; K303-E305 PolarHBondContact O-N 3.36Å; K303-A306 PolarHBondContact O-N 3.05Å; K303-E307 WeakPolarHBondContact CE-OE1 3.49Å; K303-E307 IonicContact NZ-OE1 2.95Å; K303-E307 WeakPolarHBondContact O-CG 3.42Å; K303-E307 PolarHBondContact O-N 2.98Å
304K98.3Very high98.4Very high116 Ų11665 Ų6550%0.50434%0.337SS..Hα-helixtrans-61.2-39.5176.7-75.2177-176.7168.40112.1E300 A301 E307 L308E300-K304 HydrophobicContact CG-CD 4.45Å; E300-K304 WeakPolarHBondContact O-CG 3.43Å; E300-K304 PolarHBondContact O-N 2.96Å; E300-K304 WeakPolarHBondContact OE1-CE 3.23Å; E300-K304 IonicContact OE1-NZ 3.51Å; E300-K304 PolarHBondContact OE1-NZ 3.25Å; A301-K304 PolarHBondContact O-N 3.49Å; K304-E307 PolarHBondContact O-N 3.2Å; K304-L308 WeakPolarHBondContact O-CB 3.34Å; K304-L308 PolarHBondContact O-N 3.41Å
305E98.4Very high98.3Very high24 Ų2466.5 Ų66.511%0.11234%0.342CS..Hα-helixtrans-61.7-47175.4-170.275.6-173.600110.9R257 V260 A301 V302 K303 E307 L308 D309 K354R257-E305 IonicContact CZ-OE1 3.16Å; R257-E305 IonicContact CZ-OE2 2.76Å; R257-E305 VanDerWaalsContact NH1-CD 3.3Å; R257-E305 IonicContact NH1-OE1 2.67Å; R257-E305 PolarHBondContact NH1-OE1 3.1Å; R257-E305 IonicContact NH1-OE2 3.66Å; R257-E305 PolarHBondContact NH1-OE2 2.91Å; R257-E305 IonicContact NH2-OE1 3.54Å; R257-E305 IonicContact NH2-OE2 3.61Å; R257-E305 PolarHBondContact NH2-OE2 3.35Å; V260-E305 HydrophobicContact CG1-CB 4.23Å; V260-E305 HydrophobicContact CG1-CG 4.08Å; V260-E305 HydrophobicContact CG2-CB 4.15Å; V260-E305 HydrophobicContact CG2-CG 4.43Å; A301-E305 WeakPolarHBondContact O-CB 3.1Å; A301-E305 PolarHBondContact O-N 3.47Å; V302-E305 PolarHBondContact O-N 2.97Å; K303-E305 VanDerWaalsContact C-N 3.31Å; K303-E305 PolarHBondContact O-N 3.36Å; E305-E307 PolarHBondContact O-N 2.8Å; E305-L308 PolarHBondContact O-N 3.46Å; E305-D309 WeakPolarHBondContact O-CB 3.14Å; E305-D309 PolarHBondContact O-N 3.26Å; E305-K354 IonicContact OE1-NZ 2.66Å; E305-K354 PolarHBondContact OE1-NZ 2.98Å
306A98.4Very high98.2Very high59 Ų5965.7 Ų65.749%0.48834%0.337SS..Hα-helixtrans-64.3-37.8177.700000113V302 K303 K310V302-A306 PolarHBondContact O-N 2.95Å; V302-A306 VanDerWaalsContact O-N 3.07Å; K303-A306 PolarHBondContact O-N 3.05Å; A306-K310 WeakPolarHBondContact O-CB 3.39Å; A306-K310 PolarHBondContact O-N 3.37Å
307E98.5Very high98Very high104 Ų10462.3 Ų62.349%0.48632%0.323SS..Hα-helixtrans-65-44174.7-73.8171.6179.700111.6K303 K304 E305 K310 Y311K303-E307 WeakPolarHBondContact CE-OE1 3.49Å; K303-E307 IonicContact NZ-OE1 2.95Å; K303-E307 WeakPolarHBondContact O-CG 3.42Å; K303-E307 PolarHBondContact O-N 2.98Å; K304-E307 PolarHBondContact O-N 3.2Å; E305-E307 PolarHBondContact O-N 2.8Å; E307-K310 PolarHBondContact O-N 3.17Å; E307-Y311 WeakPolarHBondContact O-CB 3.28Å; E307-Y311 PolarHBondContact O-N 3.5Å
308L98.4Very high97.8Very high15 Ų1563.2 Ų63.28%0.07932%0.323CS..Hα-helixtrans-63.5-45.6176176.963.6000111.5K304 E305 K310 Y311 L312 I342 L345 K354K304-L308 WeakPolarHBondContact O-CB 3.34Å; K304-L308 PolarHBondContact O-N 3.41Å; E305-L308 PolarHBondContact O-N 3.46Å; L308-K310 VanDerWaalsContact C-N 3.34Å; L308-K310 PolarHBondContact O-N 2.8Å; L308-Y311 WeakPolarHBondContact O-CB 3.26Å; L308-Y311 PolarHBondContact O-N 3.45Å; L308-L312 HydrophobicContact CD1-CD1 4.36Å; L308-L312 HydrophobicContact CD1-CG 4.33Å; L308-L312 HydrophobicContact CG-CD1 4.2Å; L308-L312 WeakPolarHBondContact O-CG 3.02Å; L308-L312 PolarHBondContact O-N 2.88Å; L308-I342 HydrophobicContact CD1-CG2 4.19Å; L308-L345 HydrophobicContact CD1-CD2 4.34Å; L308-L345 HydrophobicContact CD2-CD2 4.36Å; L308-K354 HydrophobicContact CD2-CD 4.29Å; L308-K354 HydrophobicContact CD2-CG 4.49Å
309D98.5Very high97.6Very high43 Ų4361.8 Ų61.823%0.2331%0.312CS..Hα-helixtrans-58.6-49.6177.3-77.2-7.6000110.3E305 Y311 L312 E313 K354 V357E305-D309 WeakPolarHBondContact O-CB 3.14Å; E305-D309 PolarHBondContact O-N 3.26Å; D309-Y311 VanDerWaalsContact C-N 3.28Å; D309-Y311 PolarHBondContact O-N 2.96Å; D309-L312 PolarHBondContact O-N 3.04Å; D309-L312 VanDerWaalsContact O-N 3.12Å; D309-E313 VanDerWaalsContact O-CG 3.26Å; D309-E313 WeakPolarHBondContact O-CG 3.43Å; D309-E313 PolarHBondContact O-N 2.89Å; D309-K354 WeakPolarHBondContact OD1-CE 3.28Å; D309-K354 IonicContact OD1-NZ 3.81Å; D309-K354 PolarHBondContact OD1-NZ 2.77Å; D309-K354 IonicContact OD2-NZ 3.78Å; D309-V357 HydrophobicContact CB-CG1 4.18Å
310K98.3Very high97.2Very high110 Ų11057.7 Ų57.748%0.47828%0.284SS..Hα-helixtrans-58.5-41.1177.6-16971-143.8158.90112.2A306 E307 L308 E313 C314A306-K310 WeakPolarHBondContact O-CB 3.39Å; A306-K310 PolarHBondContact O-N 3.37Å; E307-K310 PolarHBondContact O-N 3.17Å; L308-K310 VanDerWaalsContact C-N 3.34Å; L308-K310 PolarHBondContact O-N 2.8Å; K310-E313 IonicContact NZ-OE2 3.15Å; K310-E313 PolarHBondContact NZ-OE2 3.32Å; K310-E313 PolarHBondContact O-N 3.48Å; K310-C314 PolarHBondContact O-N 3.41Å; K310-C314 VanDerWaalsContact O-N 3.13Å; K310-C314 PolarHBondContact O-SG 3.24Å
311Y98.4Very high96.6Very high102 Ų10259.2 Ų59.240%0.429%0.289SS..Hα-helixtrans-60.1-49.7175.2176.8-90.3000111.1E307 L308 D309 E313 C314 R315 I342E307-Y311 WeakPolarHBondContact O-CB 3.28Å; E307-Y311 PolarHBondContact O-N 3.5Å; L308-Y311 WeakPolarHBondContact O-CB 3.26Å; L308-Y311 PolarHBondContact O-N 3.45Å; D309-Y311 VanDerWaalsContact C-N 3.28Å; D309-Y311 PolarHBondContact O-N 2.96Å; Y311-E313 PolarHBondContact O-N 3.23Å; Y311-C314 PolarHBondContact O-N 2.86Å; Y311-R315 HydrophobicContact CD1-CG 3.93Å; Y311-R315 HydrophobicContact CE1-CG 3.45Å; Y311-R315 VanDerWaalsContact CE1-CG 3.45Å; Y311-R315 HydrophobicContact CE2-CG 4.35Å; Y311-R315 WeakPolarHBondContact O-CG 3.36Å; Y311-R315 PolarHBondContact O-N 3.42Å; Y311-I342 HydrophobicContact CD1-CG2 4.08Å; Y311-I342 HydrophobicContact CE1-CD1 4.19Å; Y311-I342 HydrophobicContact CE1-CG1 4.16Å; Y311-I342 HydrophobicContact CE1-CG2 3.73Å
312L98.2Very high95.8Very high0 Ų065.7 Ų65.70%031%0.314CS..Hα-helixtrans-61-42178.5-69.5172.3000111.9L308 D309 C314 R315 V316 I342 L351 K354 I358L308-L312 HydrophobicContact CD1-CD1 4.36Å; L308-L312 HydrophobicContact CD1-CG 4.33Å; L308-L312 HydrophobicContact CG-CD1 4.2Å; L308-L312 WeakPolarHBondContact O-CG 3.02Å; L308-L312 PolarHBondContact O-N 2.88Å; D309-L312 PolarHBondContact O-N 3.04Å; D309-L312 VanDerWaalsContact O-N 3.12Å; L312-C314 VanDerWaalsContact C-N 3.34Å; L312-C314 PolarHBondContact O-N 3.11Å; L312-R315 PolarHBondContact O-N 3.04Å; L312-V316 VanDerWaalsContact O-CG2 3.32Å; L312-V316 WeakPolarHBondContact O-CG2 3.43Å; L312-V316 PolarHBondContact O-N 3.04Å; L312-I342 HydrophobicContact CD2-CD1 3.61Å; L312-L351 HydrophobicContact CD2-CD1 4.4Å; L312-K354 HydrophobicContact CD1-CB 3.7Å; L312-K354 HydrophobicContact CD1-CG 3.99Å; L312-I358 HydrophobicContact CB-CG1 4.48Å; L312-I358 HydrophobicContact CD1-CG1 4.43Å; L312-I358 HydrophobicContact CD2-CD1 4.46Å
313E97.6Very high94.4Very high38 Ų3866.6 Ų66.618%0.17831%0.314CS..Hα-helixtrans-56.2-49.2175-56-160.7115.300111.3D309 K310 Y311 R315 V316 E317 V361 R364D309-E313 VanDerWaalsContact O-CG 3.26Å; D309-E313 WeakPolarHBondContact O-CG 3.43Å; D309-E313 PolarHBondContact O-N 2.89Å; K310-E313 IonicContact NZ-OE2 3.15Å; K310-E313 PolarHBondContact NZ-OE2 3.32Å; K310-E313 PolarHBondContact O-N 3.48Å; Y311-E313 PolarHBondContact O-N 3.23Å; E313-R315 VanDerWaalsContact C-N 3.35Å; E313-R315 PolarHBondContact O-N 2.84Å; E313-V316 PolarHBondContact O-N 2.82Å; E313-E317 PolarHBondContact O-N 3.18Å; E313-V361 HydrophobicContact CB-CG1 4.41Å; E313-V361 HydrophobicContact CB-CG2 3.95Å; E313-V361 HydrophobicContact CG-CG2 3.58Å; E313-R364 IonicContact OE1-CZ 2.65Å; E313-R364 IonicContact OE1-NH1 3.52Å; E313-R364 IonicContact OE1-NH2 2.88Å; E313-R364 PolarHBondContact OE1-NH2 3.17Å
314C97.2Very high92.7Very high56 Ų5664.1 Ų64.138%0.37833%0.326SS..Hα-helixtrans-63.9-38.8179.8-71.20000112.1K310 Y311 L312 E317 E318K310-C314 PolarHBondContact O-N 3.41Å; K310-C314 VanDerWaalsContact O-N 3.13Å; K310-C314 PolarHBondContact O-SG 3.24Å; Y311-C314 PolarHBondContact O-N 2.86Å; L312-C314 VanDerWaalsContact C-N 3.34Å; L312-C314 PolarHBondContact O-N 3.11Å; C314-E317 PolarHBondContact O-N 3.12Å; C314-E318 PolarHBondContact O-N 3.33Å
315R96.9Very high91.1Very high39 Ų3967.6 Ų67.615%0.14734%0.344CS..Hα-helixtrans-63.2-45.4175.5-68.7-52-54.9142.99.8111.8Y311 L312 E313 E317 E318 I319 L337 E340Y311-R315 HydrophobicContact CD1-CG 3.93Å; Y311-R315 HydrophobicContact CE1-CG 3.45Å; Y311-R315 VanDerWaalsContact CE1-CG 3.45Å; Y311-R315 HydrophobicContact CE2-CG 4.35Å; Y311-R315 WeakPolarHBondContact O-CG 3.36Å; Y311-R315 PolarHBondContact O-N 3.42Å; L312-R315 PolarHBondContact O-N 3.04Å; E313-R315 VanDerWaalsContact C-N 3.35Å; E313-R315 PolarHBondContact O-N 2.84Å; R315-E317 VanDerWaalsContact C-N 3.33Å; R315-E317 PolarHBondContact O-N 2.84Å; R315-E318 IonicContact CZ-OE2 2.82Å; R315-E318 VanDerWaalsContact NH1-CD 3.28Å; R315-E318 IonicContact NH1-OE1 2.66Å; R315-E318 IonicContact NH1-OE2 3.55Å; R315-E318 PolarHBondContact NH1-OE2 3.22Å; R315-E318 PolarHBondContact O-N 3.48Å; R315-I319 VanDerWaalsContact O-CG1 3.24Å; R315-I319 WeakPolarHBondContact O-CG1 3.28Å; R315-I319 PolarHBondContact O-N 3.28Å; R315-L337 HydrophobicContact CB-CD2 3.63Å; R315-L337 HydrophobicContact CG-CD2 4.37Å; R315-E340 IonicContact CZ-OE1 2.95Å; R315-E340 IonicContact CZ-OE2 3.96Å; R315-E340 IonicContact NE-OE1 3.14Å; R315-E340 PolarHBondContact NE-OE1 2.71Å; R315-E340 IonicContact NE-OE2 2.83Å; R315-E340 PolarHBondContact NE-OE2 3.14Å; R315-E340 IonicContact NH2-OE1 2.77Å; R315-E340 PolarHBondContact NH2-OE1 2.8Å; R315-E340 IonicContact NH2-OE2 3.91Å; R315-E340 PolarHBondContact NH2-OE2 3.11Å
316V96.2Very high89.9Confident0 Ų069.2 Ų69.20%037%0.367CS..Hα-helixtrans-59.7-45.1177.31740000110.9L312 E313 E318 I319 I320 V333 L337 I358 V361 L365L312-V316 VanDerWaalsContact O-CG2 3.32Å; L312-V316 WeakPolarHBondContact O-CG2 3.43Å; L312-V316 PolarHBondContact O-N 3.04Å; E313-V316 PolarHBondContact O-N 2.82Å; V316-E318 VanDerWaalsContact C-N 3.33Å; V316-E318 PolarHBondContact O-N 3.24Å; V316-I319 PolarHBondContact O-N 3.19Å; V316-I320 HydrophobicContact CG1-CD1 3.93Å; V316-I320 WeakPolarHBondContact O-CG1 3.1Å; V316-I320 PolarHBondContact O-N 3.12Å; V316-V333 HydrophobicContact CG1-CG1 4.36Å; V316-V333 HydrophobicContact CG2-CG1 4.13Å; V316-L337 HydrophobicContact CG2-CD1 4.07Å; V316-I358 HydrophobicContact CG2-CB 4.5Å; V316-I358 HydrophobicContact CG2-CG2 3.8Å; V316-V361 HydrophobicContact CB-CG1 3.98Å; V316-V361 HydrophobicContact CG1-CB 4.33Å; V316-V361 HydrophobicContact CG1-CG1 3.82Å; V316-L365 HydrophobicContact CG1-CD1 4.2Å
317E94.5Very high89.1Confident56 Ų5669.4 Ų69.426%0.26236%0.362SS..Hα-helixtrans-57.7-43.6175-78.1-173.5-148.300112.8E313 C314 R315 K321 L365E313-E317 PolarHBondContact O-N 3.18Å; C314-E317 PolarHBondContact O-N 3.12Å; R315-E317 VanDerWaalsContact C-N 3.33Å; R315-E317 PolarHBondContact O-N 2.84Å; E317-K321 WeakPolarHBondContact O-CB 3.44Å; E317-K321 WeakPolarHBondContact O-CD 3.45Å; E317-K321 VanDerWaalsContact O-CG 3.22Å; E317-K321 WeakPolarHBondContact O-CG 3.33Å; E317-K321 PolarHBondContact O-N 2.78Å; E317-K321 VanDerWaalsContact O-N 3.11Å; E317-K321 IonicContact OE2-NZ 3.74Å; E317-K321 PolarHBondContact OE2-NZ 3.07Å; E317-K321 VanDerWaalsContact OE2-NZ 3.16Å; E317-L365 HydrophobicContact CB-CD1 4.35Å; E317-L365 HydrophobicContact CG-CD1 3.59Å; E317-L365 HydrophobicContact CG-CD2 4.26Å
318E94.6Very high88.7Confident83 Ų8364.8 Ų64.839%0.38834%0.341SS..Hα-helixtrans-67.3-41.5177.9-79.4-165.4-158.800113.1C314 R315 V316 I320 K321 K322C314-E318 PolarHBondContact O-N 3.33Å; R315-E318 IonicContact CZ-OE2 2.82Å; R315-E318 VanDerWaalsContact NH1-CD 3.28Å; R315-E318 IonicContact NH1-OE1 2.66Å; R315-E318 IonicContact NH1-OE2 3.55Å; R315-E318 PolarHBondContact NH1-OE2 3.22Å; R315-E318 PolarHBondContact O-N 3.48Å; V316-E318 VanDerWaalsContact C-N 3.33Å; V316-E318 PolarHBondContact O-N 3.24Å; E318-I320 VanDerWaalsContact C-N 3.35Å; E318-K321 PolarHBondContact O-N 2.84Å; E318-K322 WeakPolarHBondContact O-CB 3.23Å; E318-K322 WeakPolarHBondContact O-CG 3.44Å; E318-K322 PolarHBondContact O-N 3.25Å; E318-K322 IonicContact OE2-NZ 3.17Å; E318-K322 PolarHBondContact OE2-NZ 2.97Å
319I93.8Very high88.4Confident10 Ų1068 Ų685%0.05136%0.358CS..Hα-helixtrans-62.2-45.5180-68.9163.7000109.9R315 V316 K321 K322 V333 T336 L337R315-I319 VanDerWaalsContact O-CG1 3.24Å; R315-I319 WeakPolarHBondContact O-CG1 3.28Å; R315-I319 PolarHBondContact O-N 3.28Å; V316-I319 PolarHBondContact O-N 3.19Å; I319-K321 PolarHBondContact O-N 2.76Å; I319-K322 PolarHBondContact O-N 3.19Å; I319-V333 HydrophobicContact CD1-CG1 4.5Å; I319-V333 HydrophobicContact CG2-CG2 4.11Å; I319-T336 HydrophobicContact CD1-CG2 3.74Å; I319-T336 HydrophobicContact CG1-CG2 3.89Å; I319-T336 HydrophobicContact CG2-CG2 4.37Å; I319-L337 HydrophobicContact CD1-CD2 3.66Å; I319-L337 HydrophobicContact CD1-CG 3.84Å
320I90.2Very high88.2Confident27 Ų2766.9 Ų66.914%0.13835%0.352CS..Hα-helixtrans-63.5-41177.5-69174.4000111V316 E318 V327 Y362 L365V316-I320 HydrophobicContact CG1-CD1 3.93Å; V316-I320 WeakPolarHBondContact O-CG1 3.1Å; V316-I320 PolarHBondContact O-N 3.12Å; E318-I320 VanDerWaalsContact C-N 3.35Å; I320-V327 HydrophobicContact CG2-CG1 4.27Å; I320-Y362 HydrophobicContact CD1-CD2 3.92Å; I320-Y362 HydrophobicContact CD1-CE2 4.26Å; I320-L365 HydrophobicContact CD1-CB 3.88Å; I320-L365 HydrophobicContact CD1-CD1 3.82Å
321K86.3Confident88Confident152 Ų15266 Ų6666%0.66136%0.356SS*.Hα-helixtrans-71.2-29.4-179.4-73.5167.8-173.1159.20114E317 E318 I319E317-K321 WeakPolarHBondContact O-CB 3.44Å; E317-K321 WeakPolarHBondContact O-CD 3.45Å; E317-K321 VanDerWaalsContact O-CG 3.22Å; E317-K321 WeakPolarHBondContact O-CG 3.33Å; E317-K321 PolarHBondContact O-N 2.78Å; E317-K321 VanDerWaalsContact O-N 3.11Å; E317-K321 IonicContact OE2-NZ 3.74Å; E317-K321 PolarHBondContact OE2-NZ 3.07Å; E317-K321 VanDerWaalsContact OE2-NZ 3.16Å; E318-K321 PolarHBondContact O-N 2.84Å; I319-K321 PolarHBondContact O-N 2.76Å
322K82.3Confident87.8Confident152 Ų15264.1 Ų64.166%0.66135%0.351SS*.Hα-helixtrans-76.9-21.5-174.3-83.9178-179.1166.70114.4E318 I319 G324E318-K322 WeakPolarHBondContact O-CB 3.23Å; E318-K322 WeakPolarHBondContact O-CG 3.44Å; E318-K322 PolarHBondContact O-N 3.25Å; E318-K322 IonicContact OE2-NZ 3.17Å; E318-K322 PolarHBondContact OE2-NZ 2.97Å; I319-K322 PolarHBondContact O-N 3.19Å; K322-G324 PolarHBondContact O-N 3.17Å
323Q69.8Low87.7Confident80 Ų8064.1 Ų64.137%0.37435%0.351SS..  trans-85.5106.7177.5-69.5-159-6.400110.3E325 H332Q323-E325 VanDerWaalsContact C-N 3.29Å; Q323-E325 PolarHBondContact O-N 3.29Å; Q323-H332 PolarHBondContact NE2-NE2 3.17Å
324G61.5Low87.7Confident81 Ų8163.7 Ų63.784%0.83535%0.349SS*.SBendtrans-70.5-16.8-175.400000115.2K322K322-G324 PolarHBondContact O-N 3.17Å
325E65Low87.7Confident188 Ų18868.4 Ų68.488%0.87936%0.359SS*.SBendtrans-136.5113.9174.4-74.2-173.5165.700110.5Q323Q323-E325 VanDerWaalsContact C-N 3.29Å; Q323-E325 PolarHBondContact O-N 3.29Å
326G74Confident87.6Confident58 Ų5868.1 Ų68.160%0.59836%0.362SS*.SBendtrans85.1131.4178.600000114.1P328G326-P328 WeakPolarHBondContact O-CD 3.35Å
327V81.9Confident87.7Confident63 Ų6368.2 Ų68.238%0.38236%0.362SS..PPolyproline II helixtrans-75118.9173-179.80000108.4I320 D329 N366 K369I320-V327 HydrophobicContact CG2-CG1 4.27Å; V327-D329 PolarHBondContact O-N 2.72Å; V327-N366 HydrophobicContact CG1-CB 4.26Å; V327-K369 PolarHBondContact O-NZ 3.37Å
328P88.7Confident87.8Confident8 Ų868.3 Ų68.35%0.05237%0.372CS..PPolyproline II helixtrans-56142.4179.422.3-32.3000109.8G326 H332 V333 Y362G326-P328 WeakPolarHBondContact O-CD 3.35Å; P328-H332 HydrophobicContact CB-CB 4Å; P328-V333 HydrophobicContact CB-CG2 4.24Å; P328-V333 HydrophobicContact CG-CG2 4.03Å; P328-Y362 VanDerWaalsContact O-CE2 3.22Å; P328-Y362 WeakPolarHBondContact O-CE2 3.29Å; P328-Y362 PolarHBondContact O-OH 3.22Å
329D92.2Very high87.9Confident81 Ų8168.3 Ų68.343%0.43338%0.382SS..PPolyproline II helixtrans-67.7165.9169.362.936.5000111.2V327 V331 H332 V333 Y362V327-D329 PolarHBondContact O-N 2.72Å; D329-V331 PolarHBondContact O-N 2.87Å; D329-V331 WeakPolarHBondContact OD1-CB 3.29Å; D329-V331 PolarHBondContact OD1-N 3.17Å; D329-V331 VanDerWaalsContact OD1-N 3.17Å; D329-H332 PolarHBondContact O-N 3.06Å; D329-H332 WeakPolarHBondContact OD1-CB 3.29Å; D329-H332 PolarHBondContact OD1-N 2.61Å; D329-V333 PolarHBondContact O-N 2.88Å; D329-V333 VanDerWaalsContact O-N 3.08Å; D329-Y362 WeakPolarHBondContact CA-OH 3.45Å
330L94.7Very high88Confident20 Ų2070.7 Ų70.711%0.10539%0.393CS..Hα-helixtrans-61.1-31.8-179.4-18060.7000112.1H332 V333 M334 I358 E359 Y362L330-H332 VanDerWaalsContact C-N 3.34Å; L330-H332 PolarHBondContact O-N 3Å; L330-V333 PolarHBondContact O-N 3.15Å; L330-M334 HydrophobicContact CD1-CG 4.24Å; L330-M334 HydrophobicContact CG-CG 4.36Å; L330-M334 WeakPolarHBondContact O-CB 3.36Å; L330-M334 VanDerWaalsContact O-CG 3.29Å; L330-M334 WeakPolarHBondContact O-CG 3.27Å; L330-M334 PolarHBondContact O-N 2.81Å; L330-I358 HydrophobicContact CD1-CG2 4.14Å; L330-E359 HydrophobicContact CD2-CB 3.92Å; L330-E359 HydrophobicContact CD2-CG 3.69Å; L330-Y362 HydrophobicContact CB-CD1 4.21Å; L330-Y362 HydrophobicContact CB-CE1 4.21Å; L330-Y362 HydrophobicContact CB-CG 4.42Å; L330-Y362 HydrophobicContact CD1-CD1 4.38Å; L330-Y362 HydrophobicContact CD1-CD2 4.23Å; L330-Y362 HydrophobicContact CD1-CG 3.93Å
331V94.6Very high88.2Confident91 Ų9176.1 Ų76.155%0.55242%0.422SS*.Hα-helixtrans-63.4-43.7177.9177.60000110.3D329 M334 R335D329-V331 PolarHBondContact O-N 2.87Å; D329-V331 WeakPolarHBondContact OD1-CB 3.29Å; D329-V331 PolarHBondContact OD1-N 3.17Å; D329-V331 VanDerWaalsContact OD1-N 3.17Å; V331-M334 PolarHBondContact O-N 3.17Å; V331-R335 WeakPolarHBondContact O-CB 3.49Å; V331-R335 PolarHBondContact O-N 3.33Å
332H94Very high88.7Confident63 Ų6369.5 Ų69.529%0.29239%0.394SS..Hα-helixtrans-64.7-44.7175.6-166.790.9000111.4Q323 P328 D329 L330 M334 R335 T336Q323-H332 PolarHBondContact NE2-NE2 3.17Å; P328-H332 HydrophobicContact CB-CB 4Å; D329-H332 PolarHBondContact O-N 3.06Å; D329-H332 WeakPolarHBondContact OD1-CB 3.29Å; D329-H332 PolarHBondContact OD1-N 2.61Å; L330-H332 VanDerWaalsContact C-N 3.34Å; L330-H332 PolarHBondContact O-N 3Å; H332-M334 PolarHBondContact O-N 3.25Å; H332-R335 WeakPolarHBondContact O-CB 3.3Å; H332-R335 PolarHBondContact O-N 3.08Å; H332-T336 PolarHBondContact O-N 2.98Å; H332-T336 PolarHBondContact O-OG1 3.44Å; H332-T336 VanDerWaalsContact O-OG1 3.08Å
333V96.2Very high89.4Confident0 Ų066.6 Ų66.60%039%0.391CS..Hα-helixtrans-58.6-47.2176.4174.50000111.2V316 I319 P328 D329 L330 R335 T336 L337 I358 Y362V316-V333 HydrophobicContact CG1-CG1 4.36Å; V316-V333 HydrophobicContact CG2-CG1 4.13Å; I319-V333 HydrophobicContact CD1-CG1 4.5Å; I319-V333 HydrophobicContact CG2-CG2 4.11Å; P328-V333 HydrophobicContact CB-CG2 4.24Å; P328-V333 HydrophobicContact CG-CG2 4.03Å; D329-V333 PolarHBondContact O-N 2.88Å; D329-V333 VanDerWaalsContact O-N 3.08Å; L330-V333 PolarHBondContact O-N 3.15Å; V333-R335 VanDerWaalsContact C-N 3.32Å; V333-R335 PolarHBondContact O-N 3.05Å; V333-T336 PolarHBondContact O-N 3.39Å; V333-L337 HydrophobicContact CG1-CD1 4.12Å; V333-L337 WeakPolarHBondContact O-CG 3.35Å; V333-L337 PolarHBondContact O-N 3.15Å; V333-I358 HydrophobicContact CG1-CG2 4.33Å; V333-Y362 HydrophobicContact CG2-CD2 3.95Å; V333-Y362 HydrophobicContact CG2-CE2 3.9Å
334M97.4Very high90.6Very high30 Ų3068 Ų6815%0.14841%0.409CS..Hα-helixtrans-60.7-40.4176.6-71.4-62.5-66.500111.9L330 V331 H332 L337 A338 L351 R355 I358L330-M334 HydrophobicContact CD1-CG 4.24Å; L330-M334 HydrophobicContact CG-CG 4.36Å; L330-M334 WeakPolarHBondContact O-CB 3.36Å; L330-M334 VanDerWaalsContact O-CG 3.29Å; L330-M334 WeakPolarHBondContact O-CG 3.27Å; L330-M334 PolarHBondContact O-N 2.81Å; V331-M334 PolarHBondContact O-N 3.17Å; H332-M334 PolarHBondContact O-N 3.25Å; M334-L337 PolarHBondContact O-N 2.79Å; M334-A338 WeakPolarHBondContact O-CB 3.49Å; M334-A338 PolarHBondContact O-N 3.15Å; M334-L351 HydrophobicContact CE-CD2 4.11Å; M334-L351 HydrophobicContact CE-CG 3.98Å; M334-R355 HydrophobicContact CE-CB 3.95Å; M334-R355 HydrophobicContact CE-CG 4Å; M334-R355 HydrophobicContact SD-CB 4.5Å; M334-R355 HydrophobicContact SD-CG 4.15Å; M334-I358 HydrophobicContact CE-CD1 4.12Å; M334-I358 HydrophobicContact SD-CB 4.07Å; M334-I358 HydrophobicContact SD-CD1 3.64Å; M334-I358 HydrophobicContact SD-CG1 4.44Å; M334-I358 HydrophobicContact SD-CG2 3.63Å
335R96.1Very high92.4Very high154 Ų15465.7 Ų65.758%0.58138%0.377SS*.Hα-helixtrans-64.5-41.4176.3-170.5-175.7-60.4158.53.6112V331 H332 V333 A338 S339V331-R335 WeakPolarHBondContact O-CB 3.49Å; V331-R335 PolarHBondContact O-N 3.33Å; H332-R335 WeakPolarHBondContact O-CB 3.3Å; H332-R335 PolarHBondContact O-N 3.08Å; V333-R335 VanDerWaalsContact C-N 3.32Å; V333-R335 PolarHBondContact O-N 3.05Å; R335-A338 PolarHBondContact O-N 2.67Å; R335-S339 PolarHBondContact O-N 2.92Å; R335-S339 VanDerWaalsContact O-N 3.1Å
336T96.3Very high94Very high34 Ų3456.9 Ų56.921%0.20934%0.337CS..Hα-helixtrans-62.2-49.2175.6-54.90000110.5I319 H332 V333 A338 S339 E340I319-T336 HydrophobicContact CD1-CG2 3.74Å; I319-T336 HydrophobicContact CG1-CG2 3.89Å; I319-T336 HydrophobicContact CG2-CG2 4.37Å; H332-T336 PolarHBondContact O-N 2.98Å; H332-T336 PolarHBondContact O-OG1 3.44Å; H332-T336 VanDerWaalsContact O-OG1 3.08Å; V333-T336 PolarHBondContact O-N 3.39Å; T336-A338 VanDerWaalsContact C-N 3.31Å; T336-A338 PolarHBondContact O-N 3.14Å; T336-S339 PolarHBondContact O-N 2.93Å; T336-S339 PolarHBondContact O-OG 2.94Å; T336-E340 PolarHBondContact O-N 3.48Å
337L97.7Very high95.1Very high1 Ų156.7 Ų56.71%0.00533%0.325CS..Hα-helixtrans-59.6-40.7177.6-68.7170.8000112.3R315 V316 I319 V333 M334 S339 E340 I342 L351 I358R315-L337 HydrophobicContact CB-CD2 3.63Å; R315-L337 HydrophobicContact CG-CD2 4.37Å; V316-L337 HydrophobicContact CG2-CD1 4.07Å; I319-L337 HydrophobicContact CD1-CD2 3.66Å; I319-L337 HydrophobicContact CD1-CG 3.84Å; V333-L337 HydrophobicContact CG1-CD1 4.12Å; V333-L337 WeakPolarHBondContact O-CG 3.35Å; V333-L337 PolarHBondContact O-N 3.15Å; M334-L337 PolarHBondContact O-N 2.79Å; L337-S339 VanDerWaalsContact C-N 3.28Å; L337-S339 PolarHBondContact O-N 3.22Å; L337-E340 PolarHBondContact O-N 2.6Å; L337-I342 HydrophobicContact CB-CD1 4.13Å; L337-I342 HydrophobicContact CD2-CD1 3.84Å; L337-L351 HydrophobicContact CB-CD1 4.32Å; L337-L351 HydrophobicContact CB-CD2 3.9Å; L337-I358 HydrophobicContact CD1-CD1 3.68Å; L337-I358 HydrophobicContact CD1-CG1 3.93Å; L337-I358 HydrophobicContact CD1-CG2 3.8Å
338A96.5Very high95.9Very high58 Ų5854.1 Ų54.148%0.47931%0.311SS..Hα-helixtrans-61.6-36.117600000112.4M334 R335 T336 E340 L351M334-A338 WeakPolarHBondContact O-CB 3.49Å; M334-A338 PolarHBondContact O-N 3.15Å; R335-A338 PolarHBondContact O-N 2.67Å; T336-A338 VanDerWaalsContact C-N 3.31Å; T336-A338 PolarHBondContact O-N 3.14Å; A338-E340 VanDerWaalsContact C-N 3.25Å; A338-E340 PolarHBondContact O-N 2.78Å; A338-L351 HydrophobicContact CB-CD2 3.85Å
339S96.5Very high96.3Very high84 Ų8453.7 Ų53.759%0.58731%0.309SS*.Hα-helixtrans-71.7-16.7178.374.40000114.3R335 T336 L337 N341R335-S339 PolarHBondContact O-N 2.92Å; R335-S339 VanDerWaalsContact O-N 3.1Å; T336-S339 PolarHBondContact O-N 2.93Å; T336-S339 PolarHBondContact O-OG 2.94Å; L337-S339 VanDerWaalsContact C-N 3.28Å; L337-S339 PolarHBondContact O-N 3.22Å; S339-N341 VanDerWaalsContact C-N 3.33Å; S339-N341 PolarHBondContact O-N 2.74Å
340E96.8Very high96.6Very high59 Ų5954.2 Ų54.228%0.27631%0.308SS..THydrogen-bonded Turntrans-81.4-7.7-178.1-69.8179.6-167.100113.7R315 T336 L337 A338 I342R315-E340 IonicContact CZ-OE1 2.95Å; R315-E340 IonicContact CZ-OE2 3.96Å; R315-E340 IonicContact NE-OE1 3.14Å; R315-E340 PolarHBondContact NE-OE1 2.71Å; R315-E340 IonicContact NE-OE2 2.83Å; R315-E340 PolarHBondContact NE-OE2 3.14Å; R315-E340 IonicContact NH2-OE1 2.77Å; R315-E340 PolarHBondContact NH2-OE1 2.8Å; R315-E340 IonicContact NH2-OE2 3.91Å; R315-E340 PolarHBondContact NH2-OE2 3.11Å; T336-E340 PolarHBondContact O-N 3.48Å; L337-E340 PolarHBondContact O-N 2.6Å; A338-E340 VanDerWaalsContact C-N 3.25Å; A338-E340 PolarHBondContact O-N 2.78Å; E340-I342 VanDerWaalsContact C-N 3.32Å; E340-I342 HydrophobicContact CB-CG1 4.04Å; E340-I342 PolarHBondContact O-N 3.24Å
341N94.2Very high96.8Very high142 Ų14254.3 Ų54.376%0.75931%0.309SS*.THydrogen-bonded Turntrans48.951.7-176.3-62.1-62.4000112.5S339S339-N341 VanDerWaalsContact C-N 3.33Å; S339-N341 PolarHBondContact O-N 2.74Å
342I96.8Very high96.9Very high12 Ų1250.8 Ų50.86%0.06229%0.289CS..  trans-58.1123.5-176.1-58.8174.9000109.6L308 Y311 L312 L337 E340 L345 L351L308-I342 HydrophobicContact CD1-CG2 4.19Å; Y311-I342 HydrophobicContact CD1-CG2 4.08Å; Y311-I342 HydrophobicContact CE1-CD1 4.19Å; Y311-I342 HydrophobicContact CE1-CG1 4.16Å; Y311-I342 HydrophobicContact CE1-CG2 3.73Å; L312-I342 HydrophobicContact CD2-CD1 3.61Å; L337-I342 HydrophobicContact CB-CD1 4.13Å; L337-I342 HydrophobicContact CD2-CD1 3.84Å; E340-I342 VanDerWaalsContact C-N 3.32Å; E340-I342 HydrophobicContact CB-CG1 4.04Å; E340-I342 PolarHBondContact O-N 3.24Å; I342-L345 HydrophobicContact CB-CD1 4.39Å; I342-L345 HydrophobicContact CB-CG 4.48Å; I342-L345 HydrophobicContact CG2-CD2 4.38Å; I342-L345 HydrophobicContact CG2-CG 4.46Å; I342-L351 HydrophobicContact CD1-CD1 4.43Å
343P95.7Very high97.1Very high92 Ų9248.6 Ų48.660%0.59728%0.281SS*.THydrogen-bonded Turntrans-75.4163-179.232-36000111.6L345P343-L345 VanDerWaalsContact C-N 3.25Å; P343-L345 PolarHBondContact O-N 2.76Å
344S96.3Very high97.3Very high110 Ų11048.9 Ų48.977%0.76928%0.282SS*.THydrogen-bonded Turntrans64.121.9172-41.80000115.5
345L98.4Very high97.3Very high31 Ų3150.1 Ų50.116%0.16229%0.285CS..PPolyproline II helixtrans-61.7154.9168.3-67.3170.7000110.7L308 I342 P343 L351 K354L308-L345 HydrophobicContact CD1-CD2 4.34Å; L308-L345 HydrophobicContact CD2-CD2 4.36Å; I342-L345 HydrophobicContact CB-CD1 4.39Å; I342-L345 HydrophobicContact CB-CG 4.48Å; I342-L345 HydrophobicContact CG2-CD2 4.38Å; I342-L345 HydrophobicContact CG2-CG 4.46Å; P343-L345 VanDerWaalsContact C-N 3.25Å; P343-L345 PolarHBondContact O-N 2.76Å; L345-L351 HydrophobicContact CD1-CB 4.14Å; L345-L351 HydrophobicContact CD1-CD1 4.37Å; L345-L351 HydrophobicContact CD2-CD1 4.15Å; L345-K354 HydrophobicContact CD2-CG 4.03Å
346P98.4Very high97.4Very high3 Ų346 Ų462%0.01928%0.275CS..PPolyproline II helixtrans-58.8129178-25.536.6000111.1F253 G348 G349 E350 S353 K354F253-P346 HydrophobicContact CD2-CB 3.92Å; F253-P346 HydrophobicContact CE2-CB 3.81Å; P346-G348 PolarHBondContact O-N 2.81Å; P346-G349 PolarHBondContact O-N 2.93Å; P346-E350 PolarHBondContact O-N 3.46Å; P346-S353 WeakPolarHBondContact CG-OG 3.38Å; P346-K354 HydrophobicContact CG-CD 3.81Å; P346-K354 HydrophobicContact CG-CG 4.32Å
347P98.4Very high97.4Very high54 Ų5446 Ų4635%0.35127%0.274SS..THydrogen-bonded Turntrans-61.9134.9-176.626.9-35.3000110.7D252 F253 G349D252-P347 HydrophobicContact CB-CB 4.21Å; D252-P347 HydrophobicContact CB-CG 4.26Å; F253-P347 VanDerWaalsContact CA-O 3.25Å; F253-P347 WeakPolarHBondContact CA-O 3.09Å; F253-P347 VanDerWaalsContact CB-O 3.3Å; F253-P347 WeakPolarHBondContact CB-O 3.23Å; F253-P347 PolarHBondContact N-O 2.87Å; P347-G349 PolarHBondContact O-N 3.04Å
348G97.1Very high97.5Very high9 Ų945.9 Ų45.99%0.09327%0.274CS..THydrogen-bonded Turntrans78.5-41179.400000113.3K278 P346 E350K278-G348 WeakPolarHBondContact CE-O 3.33Å; K278-G348 PolarHBondContact NZ-O 2.94Å; P346-G348 PolarHBondContact O-N 2.81Å; G348-E350 PolarHBondContact N-OE1 3.16Å; G348-E350 VanDerWaalsContact N-OE1 3.11Å
349G98Very high97.5Very high0 Ų045.1 Ų45.10%026%0.261CS..THydrogen-bonded Turntrans-75.4-33.1175.200000113.8P346 P347 S353P346-G349 PolarHBondContact O-N 2.93Å; P347-G349 PolarHBondContact O-N 3.04Å; G349-S353 PolarHBondContact O-N 3.27Å; G349-S353 VanDerWaalsContact O-N 3.17Å
350E98.3Very high97.5Very high91 Ų9143.9 Ų43.943%0.42526%0.256SS..Hα-helixtrans51.2-153.2177.3-55.3-54.613300112.6P346 G348 A352 S353P346-E350 PolarHBondContact O-N 3.46Å; G348-E350 PolarHBondContact N-OE1 3.16Å; G348-E350 VanDerWaalsContact N-OE1 3.11Å; E350-A352 PolarHBondContact O-N 3.42Å; E350-S353 PolarHBondContact O-N 2.81Å; E350-S353 PolarHBondContact O-OG 2.95Å
351L98.2Very high97.4Very high22 Ų2241.2 Ų41.212%0.11524%0.243CC..Hα-helixtrans-61.4-28.5-178.8-167.268.7000112.8L312 M334 L337 A338 I342 L345 S353 K354 R355 I358L312-L351 HydrophobicContact CD2-CD1 4.4Å; M334-L351 HydrophobicContact CE-CD2 4.11Å; M334-L351 HydrophobicContact CE-CG 3.98Å; L337-L351 HydrophobicContact CB-CD1 4.32Å; L337-L351 HydrophobicContact CB-CD2 3.9Å; A338-L351 HydrophobicContact CB-CD2 3.85Å; I342-L351 HydrophobicContact CD1-CD1 4.43Å; L345-L351 HydrophobicContact CD1-CB 4.14Å; L345-L351 HydrophobicContact CD1-CD1 4.37Å; L345-L351 HydrophobicContact CD2-CD1 4.15Å; L351-S353 VanDerWaalsContact C-N 3.31Å; L351-S353 PolarHBondContact O-N 3.23Å; L351-K354 PolarHBondContact O-N 3.41Å; L351-R355 PolarHBondContact O-N 3.14Å; L351-I358 HydrophobicContact CD1-CD1 3.85Å; L351-I358 HydrophobicContact CG-CD1 4.3Å
352A98.2Very high97.5Very high17 Ų1734.9 Ų34.914%0.1421%0.209CC..Hα-helixtrans-59.4-42.6177.400000111.3T274 Y277 K278 E350 K354 R355T274-A352 HydrophobicContact CG2-CB 4.46Å; Y277-A352 WeakPolarHBondContact CD2-O 3.21Å; K278-A352 HydrophobicContact CG-CB 3.82Å; E350-A352 PolarHBondContact O-N 3.42Å; A352-K354 PolarHBondContact O-N 3.44Å; A352-K354 VanDerWaalsContact O-N 3.13Å; A352-R355 VanDerWaalsContact O-CB 3.27Å; A352-R355 WeakPolarHBondContact O-CB 3.48Å; A352-R355 PolarHBondContact O-N 2.72Å
353S98.5Very high97.4Very high18 Ų1836.7 Ų36.713%0.12622%0.218CC..Hα-helixtrans-64.4-16.9176.471.50000114.6F253 T274 P346 G349 E350 L351F253-S353 VanDerWaalsContact CE2-CB 3.44Å; T274-S353 VanDerWaalsContact OG1-CA 3.27Å; T274-S353 WeakPolarHBondContact OG1-CA 3.44Å; T274-S353 VanDerWaalsContact OG1-CB 3.28Å; T274-S353 WeakPolarHBondContact OG1-CB 3.38Å; P346-S353 WeakPolarHBondContact CG-OG 3.38Å; G349-S353 PolarHBondContact O-N 3.27Å; G349-S353 VanDerWaalsContact O-N 3.17Å; E350-S353 PolarHBondContact O-N 2.81Å; E350-S353 PolarHBondContact O-OG 2.95Å; L351-S353 VanDerWaalsContact C-N 3.31Å; L351-S353 PolarHBondContact O-N 3.23Å
354K98.6Very high97.3Very high5 Ų538.9 Ų38.92%0.02222%0.215CC..THydrogen-bonded Turntrans-99.70177.1-56.5-52.9-59.1172.30113.2E305 L308 D309 L312 L345 P346 L351 A352 N356 V357 I358E305-K354 IonicContact OE1-NZ 2.66Å; E305-K354 PolarHBondContact OE1-NZ 2.98Å; L308-K354 HydrophobicContact CD2-CD 4.29Å; L308-K354 HydrophobicContact CD2-CG 4.49Å; D309-K354 WeakPolarHBondContact OD1-CE 3.28Å; D309-K354 IonicContact OD1-NZ 3.81Å; D309-K354 PolarHBondContact OD1-NZ 2.77Å; D309-K354 IonicContact OD2-NZ 3.78Å; L312-K354 HydrophobicContact CD1-CB 3.7Å; L312-K354 HydrophobicContact CD1-CG 3.99Å; L345-K354 HydrophobicContact CD2-CG 4.03Å; P346-K354 HydrophobicContact CG-CD 3.81Å; P346-K354 HydrophobicContact CG-CG 4.32Å; L351-K354 PolarHBondContact O-N 3.41Å; A352-K354 PolarHBondContact O-N 3.44Å; A352-K354 VanDerWaalsContact O-N 3.13Å; K354-N356 VanDerWaalsContact C-N 3.29Å; K354-N356 PolarHBondContact O-N 3.02Å; K354-V357 PolarHBondContact O-N 3.48Å; K354-V357 VanDerWaalsContact O-N 3.09Å; K354-I358 HydrophobicContact CB-CD1 4.27Å; K354-I358 WeakPolarHBondContact O-CG1 3.31Å; K354-I358 PolarHBondContact O-N 2.98Å; K354-I358 VanDerWaalsContact O-N 3.09Å
355R98.4Very high97Very high57 Ų5736.9 Ų36.922%0.21520%0.195CC..Hα-helixtrans-58.3-38.4-178.2-173.6177.4179.2-79.4-8.8112.4Y277 M334 L351 A352 V357 I358 E359Y277-R355 HydrophobicContact CD2-CB 3.56Å; Y277-R355 HydrophobicContact CD2-CG 4.11Å; Y277-R355 HydrophobicContact CE2-CB 3.86Å; Y277-R355 HydrophobicContact CE2-CG 4.22Å; Y277-R355 HydrophobicContact CG-CB 4.11Å; Y277-R355 VanDerWaalsContact CG-CD 3.42Å; Y277-R355 HydrophobicContact CG-CG 4.31Å; M334-R355 HydrophobicContact CE-CB 3.95Å; M334-R355 HydrophobicContact CE-CG 4Å; M334-R355 HydrophobicContact SD-CB 4.5Å; M334-R355 HydrophobicContact SD-CG 4.15Å; L351-R355 PolarHBondContact O-N 3.14Å; A352-R355 VanDerWaalsContact O-CB 3.27Å; A352-R355 WeakPolarHBondContact O-CB 3.48Å; A352-R355 PolarHBondContact O-N 2.72Å; R355-V357 VanDerWaalsContact C-N 3.32Å; R355-V357 PolarHBondContact O-N 3.33Å; R355-I358 PolarHBondContact O-N 3.11Å; R355-E359 IonicContact CZ-OE2 2.69Å; R355-E359 VanDerWaalsContact CZ-OE2 3.29Å; R355-E359 IonicContact NH1-OE2 3.51Å; R355-E359 PolarHBondContact NH1-OE2 3.27Å; R355-E359 IonicContact NH2-OE1 3.42Å; R355-E359 IonicContact NH2-OE2 2.77Å; R355-E359 PolarHBondContact NH2-OE2 3.4Å; R355-E359 WeakPolarHBondContact O-CB 3.21Å; R355-E359 PolarHBondContact O-N 2.83Å
356N97.5Very high96.5Very high66 Ų6636.5 Ų36.535%0.35319%0.193SC..Hα-helixtrans-58-42.6176.1-80.6-22.6000112.8D273 Y277 K354 A360D273-N356 PolarHBondContact OD2-ND2 3.34Å; Y277-N356 WeakPolarHBondContact CE2-OD1 3.17Å; Y277-N356 PolarHBondContact OH-OD1 3.21Å; K354-N356 VanDerWaalsContact C-N 3.29Å; K354-N356 PolarHBondContact O-N 3.02Å; N356-A360 WeakPolarHBondContact O-CB 3.46Å; N356-A360 PolarHBondContact O-N 3.45Å
357V97.6Very high95.7Very high34 Ų3440 Ų4021%0.20622%0.216CC..Hα-helixtrans-65.9-46.7176.7177.60000110.2D309 K354 R355 A360 V361D309-V357 HydrophobicContact CB-CG1 4.18Å; K354-V357 PolarHBondContact O-N 3.48Å; K354-V357 VanDerWaalsContact O-N 3.09Å; R355-V357 VanDerWaalsContact C-N 3.32Å; R355-V357 PolarHBondContact O-N 3.33Å; V357-A360 PolarHBondContact O-N 2.9Å; V357-V361 VanDerWaalsContact O-CG2 3.29Å; V357-V361 WeakPolarHBondContact O-CG2 3.47Å; V357-V361 PolarHBondContact O-N 3.35Å
358I98.2Very high94.5Very high0 Ų046.2 Ų46.20%023%0.234CC..Hα-helixtrans-62.4-46-179.6-65.6159.9000111.1L312 V316 L330 V333 M334 L337 L351 K354 R355 V361 Y362L312-I358 HydrophobicContact CB-CG1 4.48Å; L312-I358 HydrophobicContact CD1-CG1 4.43Å; L312-I358 HydrophobicContact CD2-CD1 4.46Å; V316-I358 HydrophobicContact CG2-CB 4.5Å; V316-I358 HydrophobicContact CG2-CG2 3.8Å; L330-I358 HydrophobicContact CD1-CG2 4.14Å; V333-I358 HydrophobicContact CG1-CG2 4.33Å; M334-I358 HydrophobicContact CE-CD1 4.12Å; M334-I358 HydrophobicContact SD-CB 4.07Å; M334-I358 HydrophobicContact SD-CD1 3.64Å; M334-I358 HydrophobicContact SD-CG1 4.44Å; M334-I358 HydrophobicContact SD-CG2 3.63Å; L337-I358 HydrophobicContact CD1-CD1 3.68Å; L337-I358 HydrophobicContact CD1-CG1 3.93Å; L337-I358 HydrophobicContact CD1-CG2 3.8Å; L351-I358 HydrophobicContact CD1-CD1 3.85Å; L351-I358 HydrophobicContact CG-CD1 4.3Å; K354-I358 HydrophobicContact CB-CD1 4.27Å; K354-I358 WeakPolarHBondContact O-CG1 3.31Å; K354-I358 PolarHBondContact O-N 2.98Å; K354-I358 VanDerWaalsContact O-N 3.09Å; R355-I358 PolarHBondContact O-N 3.11Å; I358-V361 PolarHBondContact O-N 3.44Å; I358-Y362 WeakPolarHBondContact O-CB 3.42Å; I358-Y362 PolarHBondContact O-N 3.5Å
359E96.9Very high92.8Very high42 Ų4250 Ų5020%0.19625%0.247CC..Hα-helixtrans-66.8-39.7-179.4-179.1160.8-159.200111.9L330 R355 V361 Y362 N363L330-E359 HydrophobicContact CD2-CB 3.92Å; L330-E359 HydrophobicContact CD2-CG 3.69Å; R355-E359 IonicContact CZ-OE2 2.69Å; R355-E359 VanDerWaalsContact CZ-OE2 3.29Å; R355-E359 IonicContact NH1-OE2 3.51Å; R355-E359 PolarHBondContact NH1-OE2 3.27Å; R355-E359 IonicContact NH2-OE1 3.42Å; R355-E359 IonicContact NH2-OE2 2.77Å; R355-E359 PolarHBondContact NH2-OE2 3.4Å; R355-E359 WeakPolarHBondContact O-CB 3.21Å; R355-E359 PolarHBondContact O-N 2.83Å; E359-V361 VanDerWaalsContact C-N 3.32Å; E359-V361 PolarHBondContact O-N 3.33Å; E359-Y362 PolarHBondContact O-N 2.84Å; E359-N363 WeakPolarHBondContact O-CB 3.41Å; E359-N363 PolarHBondContact O-N 3.01Å; E359-N363 PolarHBondContact O-ND2 2.94Å
360A96.3Very high90.5Very high58 Ų5855.5 Ų55.548%0.47928%0.277SS..Hα-helixtrans-60.4-41.7174.600000112.1N356 V357 R364N356-A360 WeakPolarHBondContact O-CB 3.46Å; N356-A360 PolarHBondContact O-N 3.45Å; V357-A360 PolarHBondContact O-N 2.9Å; A360-R364 WeakPolarHBondContact O-CB 3.01Å; A360-R364 PolarHBondContact O-N 3.31Å; A360-R364 VanDerWaalsContact O-N 3.14Å
361V95.8Very high87.8Confident2 Ų257.8 Ų57.81%0.01229%0.292CS..Hα-helixtrans-68.3-44.9175.6179.50000110.7E313 V316 V357 I358 E359 N363 R364 L365E313-V361 HydrophobicContact CB-CG1 4.41Å; E313-V361 HydrophobicContact CB-CG2 3.95Å; E313-V361 HydrophobicContact CG-CG2 3.58Å; V316-V361 HydrophobicContact CB-CG1 3.98Å; V316-V361 HydrophobicContact CG1-CB 4.33Å; V316-V361 HydrophobicContact CG1-CG1 3.82Å; V357-V361 VanDerWaalsContact O-CG2 3.29Å; V357-V361 WeakPolarHBondContact O-CG2 3.47Å; V357-V361 PolarHBondContact O-N 3.35Å; I358-V361 PolarHBondContact O-N 3.44Å; E359-V361 VanDerWaalsContact C-N 3.32Å; E359-V361 PolarHBondContact O-N 3.33Å; V361-N363 PolarHBondContact O-N 2.95Å; V361-R364 WeakPolarHBondContact O-CB 3.35Å; V361-R364 PolarHBondContact O-N 3.3Å; V361-L365 HydrophobicContact CG1-CD1 3.77Å; V361-L365 HydrophobicContact CG1-CG 4.42Å; V361-L365 WeakPolarHBondContact O-CG 3.37Å; V361-L365 PolarHBondContact O-N 3.24Å
362Y95.9Very high84.8Confident9 Ų963.2 Ų63.24%0.03532%0.321CS..Hα-helixtrans-56.8-49.2177.9-178.7-89.7000111.4I320 P328 D329 L330 V333 I358 E359 R364 L365 N366I320-Y362 HydrophobicContact CD1-CD2 3.92Å; I320-Y362 HydrophobicContact CD1-CE2 4.26Å; P328-Y362 VanDerWaalsContact O-CE2 3.22Å; P328-Y362 WeakPolarHBondContact O-CE2 3.29Å; P328-Y362 PolarHBondContact O-OH 3.22Å; D329-Y362 WeakPolarHBondContact CA-OH 3.45Å; L330-Y362 HydrophobicContact CB-CD1 4.21Å; L330-Y362 HydrophobicContact CB-CE1 4.21Å; L330-Y362 HydrophobicContact CB-CG 4.42Å; L330-Y362 HydrophobicContact CD1-CD1 4.38Å; L330-Y362 HydrophobicContact CD1-CD2 4.23Å; L330-Y362 HydrophobicContact CD1-CG 3.93Å; V333-Y362 HydrophobicContact CG2-CD2 3.95Å; V333-Y362 HydrophobicContact CG2-CE2 3.9Å; I358-Y362 WeakPolarHBondContact O-CB 3.42Å; I358-Y362 PolarHBondContact O-N 3.5Å; E359-Y362 PolarHBondContact O-N 2.84Å; Y362-R364 VanDerWaalsContact C-N 3.31Å; Y362-R364 PolarHBondContact O-N 3.49Å; Y362-L365 CarbonylContact O-C 3.47Å; Y362-L365 PolarHBondContact O-N 2.93Å; Y362-L365 VanDerWaalsContact O-N 3.11Å; Y362-N366 HydrophobicContact CE1-CB 4.28Å; Y362-N366 PolarHBondContact O-N 3.49Å; Y362-N366 PolarHBondContact OH-ND2 2.95Å; Y362-N366 VanDerWaalsContact OH-ND2 3.1Å
363N94.2Very high82Confident50 Ų5066.5 Ų66.527%0.26734%0.339SS..Hα-helixtrans-64.7-35.3180-69.8-17.1000112.1E359 V361 L365 N366 P367E359-N363 WeakPolarHBondContact O-CB 3.41Å; E359-N363 PolarHBondContact O-N 3.01Å; E359-N363 PolarHBondContact O-ND2 2.94Å; V361-N363 PolarHBondContact O-N 2.95Å; N363-L365 VanDerWaalsContact C-N 3.32Å; N363-L365 PolarHBondContact O-N 3.37Å; N363-N366 CarbonylContact O-C 3.41Å; N363-P367 VanDerWaalsContact O-CA 3.3Å; N363-P367 WeakPolarHBondContact O-CA 3.4Å
364R94.2Very high78.9Confident139 Ų13973.1 Ų73.153%0.52537%0.374SS..Hα-helixtrans-64.8-35.9173.7-178.2175.464.9-140.36.7112.4E313 A360 V361 Y362E313-R364 IonicContact OE1-CZ 2.65Å; E313-R364 IonicContact OE1-NH1 3.52Å; E313-R364 IonicContact OE1-NH2 2.88Å; E313-R364 PolarHBondContact OE1-NH2 3.17Å; A360-R364 WeakPolarHBondContact O-CB 3.01Å; A360-R364 PolarHBondContact O-N 3.31Å; A360-R364 VanDerWaalsContact O-N 3.14Å; V361-R364 WeakPolarHBondContact O-CB 3.35Å; V361-R364 PolarHBondContact O-N 3.3Å; Y362-R364 VanDerWaalsContact C-N 3.31Å; Y362-R364 PolarHBondContact O-N 3.49Å
365L90.7Very high75.6Confident68 Ų6877 Ų7736%0.35640%0.402SS..Hα-helixtrans-86.5-21.6-179.4-64.2170.8000113.1V316 E317 I320 V361 Y362 N363V316-L365 HydrophobicContact CG1-CD1 4.2Å; E317-L365 HydrophobicContact CB-CD1 4.35Å; E317-L365 HydrophobicContact CG-CD1 3.59Å; E317-L365 HydrophobicContact CG-CD2 4.26Å; I320-L365 HydrophobicContact CD1-CB 3.88Å; I320-L365 HydrophobicContact CD1-CD1 3.82Å; V361-L365 HydrophobicContact CG1-CD1 3.77Å; V361-L365 HydrophobicContact CG1-CG 4.42Å; V361-L365 WeakPolarHBondContact O-CG 3.37Å; V361-L365 PolarHBondContact O-N 3.24Å; Y362-L365 CarbonylContact O-C 3.47Å; Y362-L365 PolarHBondContact O-N 2.93Å; Y362-L365 VanDerWaalsContact O-N 3.11Å; N363-L365 VanDerWaalsContact C-N 3.32Å; N363-L365 PolarHBondContact O-N 3.37Å
366N87.4Confident72.3Confident23 Ų2380.8 Ų80.812%0.12343%0.431CS..  trans-136.465.5-179.2-17023.1000112.4V327 Y362 N363 Y368V327-N366 HydrophobicContact CG1-CB 4.26Å; Y362-N366 HydrophobicContact CE1-CB 4.28Å; Y362-N366 PolarHBondContact O-N 3.49Å; Y362-N366 PolarHBondContact OH-ND2 2.95Å; Y362-N366 VanDerWaalsContact OH-ND2 3.1Å; N363-N366 CarbonylContact O-C 3.41Å; N366-Y368 VanDerWaalsContact C-N 3.3Å; N366-Y368 PolarHBondContact O-N 3.36Å
367P81.3Confident69.1Low75 Ų7583 Ų8349%0.48745%0.452SS..G310 helixtrans-69.8-22.4-170.527-35.2000114.3N363 K369N363-P367 VanDerWaalsContact O-CA 3.3Å; N363-P367 WeakPolarHBondContact O-CA 3.4Å; P367-K369 PolarHBondContact O-N 2.87Å
368Y74Confident65.9Low186 Ų18688.2 Ų88.273%0.72948%0.484SS*.G310 helixtrans-82.7-7.9-170.7-56.8-68.2000114.7N366N366-Y368 VanDerWaalsContact C-N 3.3Å; N366-Y368 PolarHBondContact O-N 3.36Å
369K61.2Low62.8Low88 Ų8895.5 Ų95.538%0.38352%0.523SS..G310 helixtrans-80.1-13.3-177-109.6-168.1-174.3172.40114.8V327 P367 D371V327-K369 PolarHBondContact O-NZ 3.37Å; P367-K369 PolarHBondContact O-N 2.87Å; K369-D371 VanDerWaalsContact C-N 3.32Å
370N49.6Very low59.6Low115 Ų115101.1 Ų101.162%0.61555%0.554SS**G310 helixtrans-77-16.6179.6-83.2-11.7000113.7
371D40.6Very low56.7Low139 Ų139105.5 Ų105.574%0.74357%0.566SS**SBendtrans-88.8-19.3-179.8-74.5-21.6000113.8K369K369-D371 VanDerWaalsContact C-N 3.32Å
372D36.1Very low53.9Low136 Ų136120.1 Ų120.173%0.72762%0.622SS**SBendtrans-103.711.1-170.3-79.9-28.9000115.2
373T38.2Very low51.8Low86 Ų86125.7 Ų125.753%0.52865%0.651SS.*  trans-98.428174.254.50000114K7K7-T373 PolarHBondContact NZ-OG1 2.89Å
374D34.3Very low49.6Very low158 Ų158129.7 Ų129.785%0.84567%0.671SS**SBendtrans-89.31.8173.6-113.77.1000113.5
375S28.8Very low47.1Very low87 Ų87129.2 Ų129.261%0.60868%0.679SS**SBendtrans-160.9132.5168.561.50000111.6
376T28.6Very low44.6Very low136 Ų136132.8 Ų132.883%0.83470%0.698SS**SBendtrans100.6126160.970.10000118.9
377S31.2Very low41.9Very low113 Ų113139.6 Ų139.679%0.7973%0.734SS**  trans77.271.8164.184.70000120.1
378T31Very low39.3Very low142 Ų142143.9 Ų143.987%0.87175%0.751SS**  trans-104.880.4139.649.90000108.1
379D31.6Very low36.8Very low154 Ų154140.9 Ų140.982%0.82475%0.752SS**  trans-145.12.6171.6-109.7-14.1000114.4
380D30.1Very low34.9Very low160 Ų160145 Ų14586%0.85678%0.781SS**SBendtrans-13875.3174-83.8-41.5000110
381M35Very low33.7Very low149 Ų149147.5 Ų147.573%0.73480%0.795SS**  trans-168.993.9149.9-108.4177.771.100109.5
382W38.8Very low33.1Very low310 Ų310148.3 Ų148.3100%1.17480%0.799SS**  trans86.60161-49.894.9000118.4

Retrieved 382 of 382 residues in 280.1 ms (Link to these results)

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