A0A087XUW7_POEFO Loading...

Numb-like protein

Plays a role in the process of neurogenesis.

AlphaFold DB , UniProt , Accession A0A087XUW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 662 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M52.5Low52.5Low225 Ų225198 Ų198100%1.10891%0.909SS**  0140.40-47.470.18500106.4
2N47.7Very low52.1Low155 Ų155197.8 Ų197.883%0.82991%0.905SS**  cis-142.810834.3-66.5-39.4000112
3K54.3Low51.8Low215 Ų215191.5 Ų191.594%0.93589%0.893SS**  trans-135.931.5173.9-78.4-166.5176.1-178.10114
4L56.1Low51.4Low171 Ų171186.8 Ų186.890%0.89588%0.884SS**  trans-14058.1-176.7-162.769.4000113.3
5R61Low51.2Low249 Ų249187.9 Ų187.994%0.9488%0.878SS**SBendtrans-14524.3174.9-122.7175.8-169-113.71116.4
6Q51.3Low50.9Low198 Ų198180.5 Ų180.593%0.92585%0.85SS**SBendtrans-137.957.1173.8-65.9-166.59.500113.2
7S51.4Low51.3Low115 Ų115173.9 Ų173.980%0.80483%0.826SS**SBendtrans-150.432.1170.9-149.90000115.8
8L49.9Very low51.4Low169 Ų169169.8 Ų169.889%0.88581%0.806SS**  trans-129.515172-77.6179.2000114.7R10L8-R10 PolarHBondContact O-N 3.16Å
9R56.1Low51.5Low245 Ų245161.7 Ų161.793%0.92577%0.771SS**  trans-75.682153.4-77-175.4175.4170-1.3108K11R9-K11 VanDerWaalsContact C-N 3.31Å; R9-K11 PolarHBondContact O-N 3.31Å
10R51Low51.7Low239 Ų239157.2 Ų157.290%0.90276%0.757SS**  trans-51.3104155.8-90.1-177.1168.6175.2-4.2105.7L8 K12L8-R10 PolarHBondContact O-N 3.16Å; R10-K12 PolarHBondContact O-N 2.72Å
11K46Very low52.3Low197 Ų197155.9 Ų155.986%0.85774%0.744SS**  trans-57.1111.4167.8-85.3-176.6174.1179.30105.1R9 P13R9-K11 VanDerWaalsContact C-N 3.31Å; R9-K11 PolarHBondContact O-N 3.31Å; K11-P13 VanDerWaalsContact O-N 3.11Å
12K48.4Very low53Low196 Ų196149.3 Ų149.385%0.85272%0.719SS**PPolyproline II helixtrans-50.2121.1165.4-144.2162.6-173.8173.40104.4R10 T14R10-K12 PolarHBondContact O-N 2.72Å; K12-T14 PolarHBondContact O-N 3.18Å; K12-T14 VanDerWaalsContact O-N 3.16Å
13P47.2Very low54.2Low115 Ų115149 Ų14975%0.74771%0.712SS**PPolyproline II helixtrans-54.3130.3-173.622-32.5000107.1K11 Y15K11-P13 VanDerWaalsContact O-N 3.11Å; P13-Y15 PolarHBondContact O-N 2.95Å
14T47.1Very low55.5Low126 Ų126140.5 Ų140.577%0.77368%0.675SS**PPolyproline II helixtrans-48.5122.7177.9-56.30000106.8K12 V16K12-T14 PolarHBondContact O-N 3.18Å; K12-T14 VanDerWaalsContact O-N 3.16Å; T14-V16 HydrophobicContact CG2-CG2 4.37Å; T14-V16 PolarHBondContact O-N 2.88Å
15Y47.3Very low56.9Low204 Ų204137.1 Ų137.180%0.865%0.651SS**  trans-72.477.3-178.4-179.3-98.5000108.6P13 P17P13-Y15 PolarHBondContact O-N 2.95Å; Y15-P17 WeakPolarHBondContact O-CD 3.45Å
16V47.2Very low58.2Low69 Ų69130.9 Ų130.942%0.41863%0.632SS.*  trans-70.8116.6163.9176.70000104.9T14 E18 S20T14-V16 HydrophobicContact CG2-CG2 4.37Å; T14-V16 PolarHBondContact O-N 2.88Å; V16-E18 PolarHBondContact O-N 3.1Å; V16-S20 WeakPolarHBondContact CG1-OG 3.46Å
17P57.9Low60Low68 Ų68124 Ų12444%0.44261%0.61SS.*  trans-55.1132178.7-25.235.2000110Y15 A19 S20Y15-P17 WeakPolarHBondContact O-CD 3.45Å; P17-A19 PolarHBondContact O-N 2.95Å; P17-S20 PolarHBondContact O-N 2.96Å; P17-S20 PolarHBondContact O-OG 3.4Å
18E52.6Low62Low100 Ų100119.1 Ų119.147%0.46757%0.574SS.*G310 helixtrans-52.4-36.7-171.2-158.967.7-132.400112.5V16 S20 R21 Q24V16-E18 PolarHBondContact O-N 3.1Å; E18-S20 PolarHBondContact O-N 3.2Å; E18-S20 VanDerWaalsContact O-N 3.12Å; E18-R21 PolarHBondContact O-N 3.04Å; E18-R21 IonicContact OE1-CZ 2.72Å; E18-R21 IonicContact OE1-NH1 3.66Å; E18-R21 PolarHBondContact OE1-NH1 2.91Å; E18-Q24 PolarHBondContact O-OE1 2.86Å
19A52.8Low64.1Low17 Ų17114.3 Ų114.314%0.1455%0.547CS..G310 helixtrans-62-12177.900000115.6P17 R21 W25 R142P17-A19 PolarHBondContact O-N 2.95Å; A19-R21 VanDerWaalsContact C-N 3.34Å; A19-R21 PolarHBondContact O-N 3.24Å; A19-W25 WeakPolarHBondContact O-CZ2 3.44Å; A19-W25 PolarHBondContact O-NE1 2.93Å; A19-R142 HydrophobicContact CB-CB 4.5Å
20S56.3Low65.8Low71 Ų71107.3 Ų107.350%0.49753%0.525SS..G310 helixtrans-94.121.4-17989.40000114V16 P17 E18V16-S20 WeakPolarHBondContact CG1-OG 3.46Å; P17-S20 PolarHBondContact O-N 2.96Å; P17-S20 PolarHBondContact O-OG 3.4Å; E18-S20 PolarHBondContact O-N 3.2Å; E18-S20 VanDerWaalsContact O-N 3.12Å
21R64.6Low68Low129 Ų12997 Ų9749%0.48749%0.491SS..  trans-108.9113.8178.1-70.5177167.3177.8-7.8110.4E18 A19 H23 Q24E18-R21 PolarHBondContact O-N 3.04Å; E18-R21 IonicContact OE1-CZ 2.72Å; E18-R21 IonicContact OE1-NH1 3.66Å; E18-R21 PolarHBondContact OE1-NH1 2.91Å; A19-R21 VanDerWaalsContact C-N 3.34Å; A19-R21 PolarHBondContact O-N 3.24Å; R21-H23 PolarHBondContact O-N 2.86Å; R21-H23 VanDerWaalsContact O-N 3.13Å; R21-Q24 HydrophobicContact CB-CB 4.38Å; R21-Q24 WeakPolarHBondContact O-CB 3.46Å; R21-Q24 PolarHBondContact O-N 3.42Å
22P66.2Low70.3Confident88 Ų8887.8 Ų87.857%0.57145%0.451SS*.Hα-helixtrans-54-35.2178.9-29.636.3000114.3Q24 W25 Q26P22-Q24 PolarHBondContact O-N 3.18Å; P22-W25 PolarHBondContact O-N 2.97Å; P22-Q26 PolarHBondContact O-N 2.96Å; P22-Q26 VanDerWaalsContact O-N 3.16Å
23H72.8Confident72.4Confident149 Ų14984.5 Ų84.569%0.6943%0.433SS*.Hα-helixtrans-58.1-31.6174.1-64.299.6000113.7R21 A27R21-H23 PolarHBondContact O-N 2.86Å; R21-H23 VanDerWaalsContact O-N 3.13Å; H23-A27 WeakPolarHBondContact O-CB 3.07Å; H23-A27 PolarHBondContact O-N 3.33Å; H23-A27 VanDerWaalsContact O-N 3.09Å
24Q81.6Confident74.7Confident36 Ų3685.3 Ų85.317%0.16843%0.425CS..Hα-helixtrans-70.1-41.7177.2-178.6171.772.900110.9E18 R21 P22 Q26 A27 D28E18-Q24 PolarHBondContact O-OE1 2.86Å; R21-Q24 HydrophobicContact CB-CB 4.38Å; R21-Q24 WeakPolarHBondContact O-CB 3.46Å; R21-Q24 PolarHBondContact O-N 3.42Å; P22-Q24 PolarHBondContact O-N 3.18Å; Q24-Q26 VanDerWaalsContact C-N 3.32Å; Q24-Q26 PolarHBondContact O-N 3.04Å; Q24-A27 PolarHBondContact O-N 2.59Å; Q24-D28 VanDerWaalsContact O-CG 3.31Å; Q24-D28 PolarHBondContact O-N 3Å
25W85.4Confident76.8Confident99 Ų9981.2 Ų81.238%0.37541%0.408SS..Hα-helixtrans-67.7-33.9179.5-58.9-5.2000112A19 P22 D28 E29A19-W25 WeakPolarHBondContact O-CZ2 3.44Å; A19-W25 PolarHBondContact O-NE1 2.93Å; P22-W25 PolarHBondContact O-N 2.97Å; W25-D28 PolarHBondContact O-N 2.91Å; W25-E29 WeakPolarHBondContact O-CB 3.43Å; W25-E29 PolarHBondContact O-N 2.8Å
26Q88.5Confident79Confident119 Ų11978.7 Ų78.756%0.55640%0.401SS*.Hα-helixtrans-65.4-44.2171.6-70172-22.400111.9P22 Q24 D28 E29 E30P22-Q26 PolarHBondContact O-N 2.96Å; P22-Q26 VanDerWaalsContact O-N 3.16Å; Q24-Q26 VanDerWaalsContact C-N 3.32Å; Q24-Q26 PolarHBondContact O-N 3.04Å; Q26-D28 VanDerWaalsContact C-N 3.31Å; Q26-D28 PolarHBondContact O-N 3.35Å; Q26-E29 PolarHBondContact O-N 3.04Å; Q26-E30 PolarHBondContact O-N 3.42Å
27A90.8Very high81.4Confident54 Ų5475.6 Ų75.645%0.44638%0.383SS..Hα-helixtrans-63.6-36.2174.300000112.2H23 Q24 A31H23-A27 WeakPolarHBondContact O-CB 3.07Å; H23-A27 PolarHBondContact O-N 3.33Å; H23-A27 VanDerWaalsContact O-N 3.09Å; Q24-A27 PolarHBondContact O-N 2.59Å; A27-A31 WeakPolarHBondContact O-CB 3.2Å; A27-A31 PolarHBondContact O-N 2.87Å
28D92.6Very high83.2Confident12 Ų1276.1 Ų76.16%0.06438%0.382CS..Hα-helixtrans-65.2-45.2172.9-71.6-36.8000111.9Q24 W25 Q26 E30 A31 V32 R142Q24-D28 VanDerWaalsContact O-CG 3.31Å; Q24-D28 PolarHBondContact O-N 3Å; W25-D28 PolarHBondContact O-N 2.91Å; Q26-D28 VanDerWaalsContact C-N 3.31Å; Q26-D28 PolarHBondContact O-N 3.35Å; D28-E30 VanDerWaalsContact C-N 3.31Å; D28-E30 PolarHBondContact O-N 3.19Å; D28-A31 CarbonylContact O-C 3.53Å; D28-A31 PolarHBondContact O-N 3.35Å; D28-A31 VanDerWaalsContact O-N 3.16Å; D28-V32 WeakPolarHBondContact O-CB 3.28Å; D28-V32 VanDerWaalsContact O-CG2 3.29Å; D28-V32 WeakPolarHBondContact O-CG2 3.28Å; D28-V32 PolarHBondContact O-N 3.32Å; D28-R142 IonicContact OD1-CZ 2.73Å; D28-R142 IonicContact OD1-NE 2.81Å; D28-R142 IonicContact OD1-NH2 3.49Å; D28-R142 PolarHBondContact OD1-NH2 2.68Å; D28-R142 IonicContact OD2-CZ 3.36Å; D28-R142 VanDerWaalsContact OD2-CZ 3.24Å; D28-R142 IonicContact OD2-NE 3.7Å; D28-R142 PolarHBondContact OD2-NE 3.06Å; D28-R142 IonicContact OD2-NH2 3.6Å; D28-R142 PolarHBondContact OD2-NH2 3.14Å
29E93Very high85.3Confident67 Ų6771.4 Ų71.431%0.31336%0.36SS..Hα-helixtrans-59.6-41.2177.7-166.3-160.6122.600111.7W25 Q26 R33 C149W25-E29 WeakPolarHBondContact O-CB 3.43Å; W25-E29 PolarHBondContact O-N 2.8Å; Q26-E29 PolarHBondContact O-N 3.04Å; E29-R33 PolarHBondContact O-N 3.36Å; E29-R33 IonicContact OE1-CZ 3.24Å; E29-R33 IonicContact OE1-NH1 3.71Å; E29-R33 PolarHBondContact OE1-NH1 2.72Å; E29-R33 IonicContact OE1-NH2 2.68Å; E29-R33 PolarHBondContact OE1-NH2 3.46Å; E29-C149 HydrophobicContact CB-CB 4.5Å; E29-C149 HydrophobicContact CG-CB 4.03Å
30E93.8Very high87.4Confident98 Ų9872.1 Ų72.146%0.45837%0.365SS..Hα-helixtrans-68.1-43.4173.1-161-167.9164.700111.8Q26 D28 V32 R33 K34Q26-E30 PolarHBondContact O-N 3.42Å; D28-E30 VanDerWaalsContact C-N 3.31Å; D28-E30 PolarHBondContact O-N 3.19Å; E30-V32 VanDerWaalsContact C-N 3.31Å; E30-V32 PolarHBondContact O-N 3.4Å; E30-R33 PolarHBondContact O-N 3.09Å; E30-K34 HydrophobicContact CG-CD 4.22Å; E30-K34 WeakPolarHBondContact O-CB 3.49Å; E30-K34 WeakPolarHBondContact O-CG 3.41Å; E30-K34 PolarHBondContact O-N 3.06Å; E30-K34 WeakPolarHBondContact OE1-CE 3.43Å; E30-K34 IonicContact OE1-NZ 2.78Å; E30-K34 PolarHBondContact OE1-NZ 3.49Å
31A95.3Very high89.4Confident24 Ų2468.7 Ų68.720%0.19834%0.342CS..Hα-helixtrans-64-33.4177.600000112.6A27 D28 K34 G35 K36 C37A27-A31 WeakPolarHBondContact O-CB 3.2Å; A27-A31 PolarHBondContact O-N 2.87Å; D28-A31 CarbonylContact O-C 3.53Å; D28-A31 PolarHBondContact O-N 3.35Å; D28-A31 VanDerWaalsContact O-N 3.16Å; A31-K34 CarbonylContact O-C 3.51Å; A31-K34 PolarHBondContact O-N 3.02Å; A31-G35 PolarHBondContact O-N 2.99Å; A31-K36 PolarHBondContact O-N 2.87Å; A31-C37 HydrophobicContact CB-CB 3.82Å; A31-C37 PolarHBondContact O-N 2.86Å
32V95.9Very high90.9Very high2 Ų268 Ų681%0.01234%0.339CS..Hα-helixtrans-67.7-44173.71680000110.7D28 E30 K34 G35 C37 V79 A146 C149 A150D28-V32 WeakPolarHBondContact O-CB 3.28Å; D28-V32 VanDerWaalsContact O-CG2 3.29Å; D28-V32 WeakPolarHBondContact O-CG2 3.28Å; D28-V32 PolarHBondContact O-N 3.32Å; E30-V32 VanDerWaalsContact C-N 3.31Å; E30-V32 PolarHBondContact O-N 3.4Å; V32-K34 VanDerWaalsContact C-N 3.27Å; V32-K34 PolarHBondContact O-N 3.18Å; V32-G35 PolarHBondContact O-N 3.34Å; V32-C37 HydrophobicContact CB-CB 4.33Å; V32-C37 HydrophobicContact CG2-CB 3.46Å; V32-C37 VanDerWaalsContact CG2-CB 3.46Å; V32-V79 HydrophobicContact CG1-CG1 4.44Å; V32-V79 HydrophobicContact CG2-CB 4.25Å; V32-V79 HydrophobicContact CG2-CG1 3.86Å; V32-A146 HydrophobicContact CG2-CB 4.14Å; V32-C149 HydrophobicContact CG1-CB 4.35Å; V32-A150 HydrophobicContact CG1-CB 3.72Å
33R92.7Very high92.4Very high127 Ų12765 Ų6548%0.47932%0.317SS..Hα-helixtrans-61.7-35.2172.8-72-169.2-17187.5-2.9112.6E29 E30 G35E29-R33 PolarHBondContact O-N 3.36Å; E29-R33 IonicContact OE1-CZ 3.24Å; E29-R33 IonicContact OE1-NH1 3.71Å; E29-R33 PolarHBondContact OE1-NH1 2.72Å; E29-R33 IonicContact OE1-NH2 2.68Å; E29-R33 PolarHBondContact OE1-NH2 3.46Å; E30-R33 PolarHBondContact O-N 3.09Å; R33-G35 VanDerWaalsContact C-N 3.35Å
34K94Very high93.5Very high132 Ų13258.7 Ų58.757%0.57429%0.288SS*.THydrogen-bonded Turntrans-82.2-3.4177.1-72.6175.2167.3175.40114.4E30 A31 V32 K36E30-K34 HydrophobicContact CG-CD 4.22Å; E30-K34 WeakPolarHBondContact O-CB 3.49Å; E30-K34 WeakPolarHBondContact O-CG 3.41Å; E30-K34 PolarHBondContact O-N 3.06Å; E30-K34 WeakPolarHBondContact OE1-CE 3.43Å; E30-K34 IonicContact OE1-NZ 2.78Å; E30-K34 PolarHBondContact OE1-NZ 3.49Å; A31-K34 CarbonylContact O-C 3.51Å; A31-K34 PolarHBondContact O-N 3.02Å; V32-K34 VanDerWaalsContact C-N 3.27Å; V32-K34 PolarHBondContact O-N 3.18Å; K34-K36 VanDerWaalsContact C-N 3.27Å; K34-K36 HydrophobicContact CB-CG 4.45Å; K34-K36 PolarHBondContact O-N 3.02Å
35G92.8Very high94.1Very high40 Ų4057.6 Ų57.641%0.41229%0.286SS..THydrogen-bonded Turntrans67.618.7-177.600000115.4A31 V32 R33A31-G35 PolarHBondContact O-N 2.99Å; V32-G35 PolarHBondContact O-N 3.34Å; R33-G35 VanDerWaalsContact C-N 3.35Å
36K93.5Very high94.5Very high152 Ų15256 Ų5666%0.66128%0.284SS*.  trans-107.2-10.1-176-64.1-172.3179-171.60114.2A31 K34 N38A31-K36 PolarHBondContact O-N 2.87Å; K34-K36 VanDerWaalsContact C-N 3.27Å; K34-K36 HydrophobicContact CB-CG 4.45Å; K34-K36 PolarHBondContact O-N 3.02Å; K36-N38 PolarHBondContact O-N 2.78Å; K36-N38 PolarHBondContact O-ND2 3.24Å
37C95.9Very high94.9Very high4 Ų451.4 Ų51.43%0.02727%0.265CS..EExtended strand (participates in β ladder)trans-65.6129.5-179.2-172.10000111A31 V32 F39 W78 V79A31-C37 HydrophobicContact CB-CB 3.82Å; A31-C37 PolarHBondContact O-N 2.86Å; V32-C37 HydrophobicContact CB-CB 4.33Å; V32-C37 HydrophobicContact CG2-CB 3.46Å; V32-C37 VanDerWaalsContact CG2-CB 3.46Å; C37-F39 WeakPolarHBondContact SG-CE2 3.04Å; C37-F39 VanDerWaalsContact SG-CZ 3.58Å; C37-W78 WeakPolarHBondContact O-CA 3.36Å; C37-V79 HydrophobicContact CB-CB 4.42Å; C37-V79 PolarHBondContact O-N 2.75Å
38N95.9Very high95.1Very high78 Ų7853.4 Ų53.442%0.41727%0.265SS..EExtended strand (participates in β ladder)trans-151.3147.2-178.67095.4000112.3K36 V76 L77 W78K36-N38 PolarHBondContact O-N 2.78Å; K36-N38 PolarHBondContact O-ND2 3.24Å; N38-V76 HydrophobicContact CB-CG1 3.83Å; N38-L77 CarbonylContact C-O 3.56Å; N38-L77 VanDerWaalsContact CA-O 3.29Å; N38-L77 WeakPolarHBondContact CA-O 3.29Å; N38-W78 HydrophobicContact CB-CD2 3.7Å; N38-W78 HydrophobicContact CB-CE3 3.65Å; N38-W78 HydrophobicContact CB-CG 4.22Å; N38-W78 HydrophobicContact CB-CH2 4.23Å; N38-W78 HydrophobicContact CB-CZ2 4.28Å; N38-W78 HydrophobicContact CB-CZ3 3.92Å
39F96.8Very high95.3Very high2 Ų253.5 Ų53.51%0.00927%0.266CS..EExtended strand (participates in β ladder)trans-130.8135.8-176.5-60.6-79.9000111.5C37 V41 V76 L77 V79 R142 L143 A146C37-F39 WeakPolarHBondContact SG-CE2 3.04Å; C37-F39 VanDerWaalsContact SG-CZ 3.58Å; F39-V41 HydrophobicContact CB-CG1 4.22Å; F39-V41 PolarHBondContact O-N 3.49Å; F39-V76 CarbonylContact O-C 3.52Å; F39-V76 WeakPolarHBondContact O-CA 3.35Å; F39-L77 PolarHBondContact N-O 2.87Å; F39-L77 PolarHBondContact O-N 3.15Å; F39-V79 HydrophobicContact CD2-CG2 3.96Å; F39-V79 HydrophobicContact CE2-CG2 3.91Å; F39-R142 HydrophobicContact CE1-CG 4.04Å; F39-L143 HydrophobicContact CB-CD1 3.98Å; F39-L143 HydrophobicContact CB-CD2 4.35Å; F39-L143 HydrophobicContact CB-CG 4.09Å; F39-L143 HydrophobicContact CD1-CD1 3.49Å; F39-L143 VanDerWaalsContact CD1-CD1 3.49Å; F39-L143 HydrophobicContact CD1-CG 4.11Å; F39-L143 HydrophobicContact CD2-CD1 4.28Å; F39-L143 HydrophobicContact CD2-CG 3.97Å; F39-L143 HydrophobicContact CE1-CD1 4Å; F39-L143 HydrophobicContact CE2-CG 4.45Å; F39-L143 HydrophobicContact CG-CD1 3.64Å; F39-L143 HydrophobicContact CG-CG 3.78Å; F39-A146 HydrophobicContact CE2-CB 3.61Å; F39-A146 HydrophobicContact CZ-CB 3.61Å
40A97.1Very high95.4Very high31 Ų3159 Ų5926%0.25629%0.292SS..EExtended strand (participates in β ladder)trans-81.2115.7174.800000110.1L136A40-L136 HydrophobicContact CB-CB 4.41Å; A40-L136 HydrophobicContact CB-CD1 4.11Å; A40-L136 WeakPolarHBondContact O-CB 3.44Å; A40-L136 PolarHBondContact O-N 2.79Å
41V97.4Very high95.5Very high0 Ų058.9 Ų58.90%029%0.291CS..EExtended strand (participates in β ladder)trans-130.6168.8-171.1-61.40000112.4F39 A75 L77 F133 M134 L143F39-V41 HydrophobicContact CB-CG1 4.22Å; F39-V41 PolarHBondContact O-N 3.49Å; V41-A75 HydrophobicContact CG2-CB 4.17Å; V41-A75 WeakPolarHBondContact CG2-O 3.17Å; V41-A75 PolarHBondContact N-O 3.41Å; V41-A75 PolarHBondContact O-N 2.74Å; V41-L77 HydrophobicContact CG1-CB 4.15Å; V41-L77 HydrophobicContact CG2-CB 3.97Å; V41-F133 HydrophobicContact CG2-CD1 4.06Å; V41-M134 CarbonylContact C-O 3.55Å; V41-M134 WeakPolarHBondContact CA-O 3.29Å; V41-L143 HydrophobicContact CG1-CD2 3.79Å
42R96.9Very high95.6Very high113 Ų11359.5 Ų59.543%0.42629%0.294SS..EExtended strand (participates in β ladder)trans-110.3120.5155.9-58.5175.467.7165.64.2107.9L44 T72 V73 F133 M134 L136R42-L44 PolarHBondContact O-N 2.78Å; R42-T72 PolarHBondContact NE-OG1 3.42Å; R42-T72 PolarHBondContact NH2-OG1 2.86Å; R42-V73 CarbonylContact C-O 3.44Å; R42-V73 WeakPolarHBondContact CA-O 3.44Å; R42-F133 CarbonylContact O-C 3.59Å; R42-F133 WeakPolarHBondContact O-CA 3.49Å; R42-M134 HydrophobicContact CB-CB 4.33Å; R42-M134 PolarHBondContact N-O 2.94Å; R42-M134 PolarHBondContact O-N 2.93Å; R42-L136 HydrophobicContact CG-CD2 3.74Å; R42-L136 HydrophobicContact CG-CG 4.29Å
43Y97.1Very high95.6Very high27 Ų2767.8 Ų67.811%0.10633%0.325CS..EExtended strand (participates in β ladder)trans-73.5120.3170.4-178-138.8000108.4G45 T72 V73 I95 V96 H131 C132 F133Y43-G45 WeakPolarHBondContact CE2-O 3.38Å; Y43-T72 CarbonylContact O-C 3.42Å; Y43-T72 WeakPolarHBondContact O-CA 3.34Å; Y43-T72 WeakPolarHBondContact O-CB 3.38Å; Y43-V73 PolarHBondContact N-O 3.1Å; Y43-V73 PolarHBondContact O-N 3.49Å; Y43-I95 HydrophobicContact CD1-CG2 4.23Å; Y43-I95 HydrophobicContact CE1-CG2 4.14Å; Y43-V96 HydrophobicContact CE1-CG2 4.33Å; Y43-H131 HydrophobicContact CE2-CB 4.32Å; Y43-H131 AromaticContact CE2-ND1 3.91Å; Y43-H131 AromaticContact CZ-ND1 3.88Å; Y43-H131 PolarHBondContact OH-ND1 3.32Å; Y43-C132 WeakPolarHBondContact CD2-O 3.39Å; Y43-F133 AromaticContact CD2-CD1 3.79Å; Y43-F133 HydrophobicContact CD2-CD1 3.79Å; Y43-F133 AromaticContact CD2-CE1 3.36Å; Y43-F133 HydrophobicContact CD2-CE1 3.36Å; Y43-F133 AromaticContact CD2-CZ 3.82Å; Y43-F133 HydrophobicContact CD2-CZ 3.82Å; Y43-F133 HydrophobicContact CE2-CE1 4Å; Y43-F133 AromaticContact CE2-CZ 3.99Å; Y43-F133 HydrophobicContact CE2-CZ 3.99Å; Y43-F133 HydrophobicContact CG-CD1 4.46Å; Y43-F133 HydrophobicContact CG-CE1 4.09Å
44L96.1Very high95.7Very high15 Ų1562.5 Ų62.58%0.07931%0.31CS..EExtended strand (participates in β ladder)trans-81.6-29.7179.3-55.6-177.4000111.3R42 V62 L65 T72 C132 M134R42-L44 PolarHBondContact O-N 2.78Å; L44-V62 HydrophobicContact CD1-CG1 4.25Å; L44-L65 HydrophobicContact CB-CB 4.25Å; L44-L65 HydrophobicContact CB-CD1 4.09Å; L44-T72 HydrophobicContact CD2-CG2 3.67Å; L44-C132 HydrophobicContact CB-CB 4.12Å; L44-C132 WeakPolarHBondContact CB-O 3.39Å; L44-C132 HydrophobicContact CD1-CB 4.04Å; L44-C132 HydrophobicContact CG-CB 4.45Å; L44-C132 PolarHBondContact N-O 2.84Å; L44-M134 HydrophobicContact CD1-CE 4.27Å; L44-M134 HydrophobicContact CD2-CB 4.14Å
45G95.1Very high95.8Very high14 Ų1461.8 Ų61.814%0.14431%0.31CS..EExtended strand (participates in β ladder)trans131.6-161179.700000112.5Y43 C132Y43-G45 WeakPolarHBondContact CE2-O 3.38Å; G45-C132 PolarHBondContact O-N 3.15Å
46L93.6Very high96Very high64 Ų6465.2 Ų65.234%0.33532%0.315SS..EExtended strand (participates in β ladder)trans-122.6140.6-178.3-174.555.9000110M129 C130 H131L46-M129 HydrophobicContact CD1-CB 3.72Å; L46-M129 HydrophobicContact CD1-CE 4.3Å; L46-M129 HydrophobicContact CD2-CE 3.87Å; L46-M129 HydrophobicContact CG-CB 4.42Å; L46-M129 HydrophobicContact CG-CE 3.82Å; L46-C130 VanDerWaalsContact CD1-O 3.28Å; L46-C130 WeakPolarHBondContact CD1-O 3.25Å; L46-H131 HydrophobicContact CD1-CB 4.5Å; L46-H131 WeakPolarHBondContact CD1-CD2 3.37Å; L46-H131 WeakPolarHBondContact CD1-NE2 3.34Å
47V95.8Very high96.2Very high23 Ų2358.4 Ų58.414%0.13929%0.286CS..EExtended strand (participates in β ladder)trans-133.2138.2174.6158.10000109.2V49 A61 K64 L65 C130V47-V49 HydrophobicContact CG1-CG1 4.09Å; V47-A61 HydrophobicContact CB-CB 4.28Å; V47-A61 HydrophobicContact CG1-CB 4.08Å; V47-K64 HydrophobicContact CG1-CD 4.44Å; V47-L65 HydrophobicContact CG2-CD1 4.04Å; V47-L65 HydrophobicContact CG2-CD2 3.83Å; V47-L65 HydrophobicContact CG2-CG 3.61Å; V47-C130 PolarHBondContact N-O 3.03Å; V47-C130 PolarHBondContact O-N 3.48Å
48E96.2Very high96.2Very high96 Ų9658.2 Ų58.245%0.44929%0.285SS..EExtended strand (participates in β ladder)trans-73.3136.9167.8-178.7174.7166.100110R127 M129E48-R127 HydrophobicContact CG-CB 4.36Å; E48-R127 WeakPolarHBondContact OE1-CD 3.42Å; E48-R127 IonicContact OE1-CZ 3.43Å; E48-R127 IonicContact OE1-NE 3.24Å; E48-R127 PolarHBondContact OE1-NE 3.05Å; E48-R127 IonicContact OE1-NH1 2.78Å; E48-R127 PolarHBondContact OE1-NH1 3.43Å; E48-R127 IonicContact OE2-CZ 3.88Å; E48-R127 IonicContact OE2-NH1 3.42Å; E48-R127 PolarHBondContact OE2-NH1 2.89Å; E48-M129 HydrophobicContact CB-CE 4.07Å; E48-M129 HydrophobicContact CB-SD 4.05Å; E48-M129 HydrophobicContact CG-SD 4.18Å
49V97Very high96.2Very high14 Ų1456.3 Ų56.39%0.08527%0.273CS..EExtended strand (participates in β ladder)trans-130.6156.6179.7-62.80000110.7V47 V57 A61 I119 W128 C130V47-V49 HydrophobicContact CG1-CG1 4.09Å; V49-V57 HydrophobicContact CB-CG1 3.67Å; V49-V57 HydrophobicContact CG1-CG1 3.84Å; V49-V57 HydrophobicContact CG2-CG1 4.09Å; V49-A61 HydrophobicContact CG1-CB 4.33Å; V49-I119 HydrophobicContact CG2-CD1 4.48Å; V49-I119 HydrophobicContact CG2-CG1 4.47Å; V49-I119 HydrophobicContact CG2-CG2 3.96Å; V49-W128 HydrophobicContact CG2-CB 3.76Å; V49-W128 PolarHBondContact N-O 2.91Å; V49-W128 WeakPolarHBondContact O-CB 3.15Å; V49-C130 HydrophobicContact CG1-CB 3.64Å; V49-C130 HydrophobicContact CG2-CB 4.18Å
50E94.8Very high96.2Very high184 Ų18460.7 Ų60.786%0.8629%0.294SS*.SBendtrans-85.4-43.2-177.2-171.3167.2-173.400112.1
51E96.7Very high96.1Very high95 Ų9559.2 Ų59.244%0.44428%0.282SS..  trans-89.6147.6179.2-66.8-167.6173.500113.3H56 V57E51-H56 IonicContact OE2-CE1 2.78Å; E51-H56 PolarHBondContact OE2-CE1 2.9Å; E51-H56 IonicContact OE2-NE2 3.2Å; E51-V57 HydrophobicContact CB-CG2 3.88Å; E51-V57 HydrophobicContact CG-CG2 4.42Å
52S95.4Very high96Very high36 Ų3659.2 Ų59.225%0.25228%0.282SS..SBendtrans-80.1-13.417863.70000114.7S104 W128S52-S104 WeakPolarHBondContact O-CB 3.37Å; S52-S104 PolarHBondContact O-OG 2.89Å; S52-W128 VanDerWaalsContact CB-CE2 3.45Å; S52-W128 VanDerWaalsContact CB-CZ2 3.48Å
53R96.3Very high95.9Very high177 Ų17760.4 Ų60.467%0.66829%0.29SS*.SBendtrans-159.1142-171.762.7-172.9-179.788.94.6109.7F105R53-F105 HydrophobicContact CB-CB 3.87Å; R53-F105 HydrophobicContact CB-CD2 3.96Å; R53-F105 HydrophobicContact CB-CG 3.88Å
54G96Very high95.9Very high16 Ų1663.6 Ų63.617%0.16530%0.304CS..  trans148.3132.8173.800000112.8V57 C58 F105G54-V57 WeakPolarHBondContact O-CB 3.12Å; G54-V57 PolarHBondContact O-N 3.18Å; G54-C58 PolarHBondContact O-N 3.21Å; G54-F105 VanDerWaalsContact C-CE1 3.45Å; G54-F105 VanDerWaalsContact N-CE1 3.33Å
55M96.1Very high95.8Very high117 Ų11763.2 Ų63.258%0.57630%0.302SS*.Hα-helixtrans-65.4-40.5179.9-59.7-176.1-59.300111.6V57 C58 E59 F105 A107M55-V57 VanDerWaalsContact C-N 3.27Å; M55-V57 PolarHBondContact O-N 3.05Å; M55-C58 VanDerWaalsContact O-CB 3.3Å; M55-C58 WeakPolarHBondContact O-CB 3.34Å; M55-C58 PolarHBondContact O-N 2.82Å; M55-E59 WeakPolarHBondContact O-CG 3.47Å; M55-E59 PolarHBondContact O-N 2.63Å; M55-F105 HydrophobicContact CG-CZ 4.15Å; M55-A107 HydrophobicContact CG-CB 4.31Å
56H96.4Very high95.7Very high112 Ų11265.8 Ų65.852%0.51931%0.309SS..Hα-helixtrans-62.7-34.1178.474.9-90.6000112.4E51 E59 E60E51-H56 IonicContact OE2-CE1 2.78Å; E51-H56 PolarHBondContact OE2-CE1 2.9Å; E51-H56 IonicContact OE2-NE2 3.2Å; H56-E59 PolarHBondContact O-N 2.79Å; H56-E60 WeakPolarHBondContact O-CB 3.43Å; H56-E60 PolarHBondContact O-N 3.13Å
57V97Very high95.7Very high9 Ų968.6 Ų68.66%0.05533%0.329CS..Hα-helixtrans-65-44176.1-168.70000110.5V49 E51 G54 M55 A61 I119V49-V57 HydrophobicContact CB-CG1 3.67Å; V49-V57 HydrophobicContact CG1-CG1 3.84Å; V49-V57 HydrophobicContact CG2-CG1 4.09Å; E51-V57 HydrophobicContact CB-CG2 3.88Å; E51-V57 HydrophobicContact CG-CG2 4.42Å; G54-V57 WeakPolarHBondContact O-CB 3.12Å; G54-V57 PolarHBondContact O-N 3.18Å; M55-V57 VanDerWaalsContact C-N 3.27Å; M55-V57 PolarHBondContact O-N 3.05Å; V57-A61 WeakPolarHBondContact O-CB 3.36Å; V57-A61 PolarHBondContact O-N 2.83Å; V57-I119 HydrophobicContact CB-CD1 4.2Å; V57-I119 HydrophobicContact CG1-CD1 3.99Å
58C96.7Very high95.5Very high0 Ų070.5 Ų70.50%034%0.344CS..Hα-helixtrans-62.9-49.6174.1-78.10000112.4G54 M55 E60 A61 V62 A107 S117G54-C58 PolarHBondContact O-N 3.21Å; M55-C58 VanDerWaalsContact O-CB 3.3Å; M55-C58 WeakPolarHBondContact O-CB 3.34Å; M55-C58 PolarHBondContact O-N 2.82Å; C58-E60 VanDerWaalsContact C-N 3.34Å; C58-E60 PolarHBondContact O-N 2.93Å; C58-A61 PolarHBondContact O-N 2.88Å; C58-V62 WeakPolarHBondContact O-CG2 3.41Å; C58-V62 PolarHBondContact O-N 3.4Å; C58-A107 HydrophobicContact CB-CB 4.5Å; C58-S117 WeakPolarHBondContact CB-OG 3.27Å; C58-S117 PolarHBondContact SG-OG 2.95Å
59E95.8Very high94.8Very high38 Ų3869.1 Ų69.118%0.17836%0.355CS..Hα-helixtrans-59.4-42.7177.4-70.5166.8167.700111.6M55 H56 V62 K63 R110M55-E59 WeakPolarHBondContact O-CG 3.47Å; M55-E59 PolarHBondContact O-N 2.63Å; H56-E59 PolarHBondContact O-N 2.79Å; E59-V62 PolarHBondContact O-N 2.58Å; E59-K63 VanDerWaalsContact O-CB 3.3Å; E59-K63 WeakPolarHBondContact O-CB 3.2Å; E59-K63 PolarHBondContact O-N 3.38Å; E59-R110 WeakPolarHBondContact OE1-CB 3.27Å; E59-R110 PolarHBondContact OE1-N 3.42Å
60E96.1Very high94.5Very high94 Ų9474 Ų7444%0.43938%0.375SS..Hα-helixtrans-66.8-39.3177.4-156.7-145.1-176.800112.1H56 C58 K63 K64H56-E60 WeakPolarHBondContact O-CB 3.43Å; H56-E60 PolarHBondContact O-N 3.13Å; C58-E60 VanDerWaalsContact C-N 3.34Å; C58-E60 PolarHBondContact O-N 2.93Å; E60-K63 PolarHBondContact O-N 3.24Å; E60-K64 HydrophobicContact CG-CD 4.37Å; E60-K64 WeakPolarHBondContact O-CB 3.23Å; E60-K64 VanDerWaalsContact O-CG 3.3Å; E60-K64 WeakPolarHBondContact O-CG 3.37Å; E60-K64 PolarHBondContact O-N 3.15Å; E60-K64 WeakPolarHBondContact OE1-CE 3.17Å; E60-K64 IonicContact OE1-NZ 3.76Å; E60-K64 PolarHBondContact OE1-NZ 2.91Å; E60-K64 WeakPolarHBondContact OE2-CE 3.18Å; E60-K64 IonicContact OE2-NZ 2.63Å; E60-K64 PolarHBondContact OE2-NZ 3.11Å
61A96.5Very high94.3Very high0 Ų075 Ų750%038%0.376CS..Hα-helixtrans-64.6-42.7174.900000112.4V47 V49 V57 C58 K63 K64 L65 C130V47-A61 HydrophobicContact CB-CB 4.28Å; V47-A61 HydrophobicContact CG1-CB 4.08Å; V49-A61 HydrophobicContact CG1-CB 4.33Å; V57-A61 WeakPolarHBondContact O-CB 3.36Å; V57-A61 PolarHBondContact O-N 2.83Å; C58-A61 PolarHBondContact O-N 2.88Å; A61-K63 VanDerWaalsContact C-N 3.35Å; A61-K63 PolarHBondContact O-N 2.83Å; A61-K64 PolarHBondContact O-N 3.49Å; A61-L65 PolarHBondContact O-N 3.27Å; A61-C130 HydrophobicContact CB-CB 3.91Å
62V95.4Very high94.1Very high0 Ų072.6 Ų72.60%037%0.369CS..Hα-helixtrans-61.3-43.6173.5173.20000110.7L44 C58 E59 L65 K66 D109 Y112 A115 C132L44-V62 HydrophobicContact CD1-CG1 4.25Å; C58-V62 WeakPolarHBondContact O-CG2 3.41Å; C58-V62 PolarHBondContact O-N 3.4Å; E59-V62 PolarHBondContact O-N 2.58Å; V62-L65 PolarHBondContact O-N 3.44Å; V62-K66 HydrophobicContact CG1-CD 4.1Å; V62-K66 WeakPolarHBondContact O-CG 3.49Å; V62-K66 PolarHBondContact O-N 2.99Å; V62-D109 WeakPolarHBondContact CB-OD2 3.45Å; V62-D109 WeakPolarHBondContact CG1-OD2 3.4Å; V62-Y112 HydrophobicContact CG1-CD2 4.3Å; V62-A115 HydrophobicContact CG1-CB 4.2Å; V62-A115 HydrophobicContact CG2-CB 4.48Å; V62-C132 HydrophobicContact CG2-CB 3.93Å
63K95.1Very high94.2Very high137 Ų13773.2 Ų73.260%0.59637%0.371SS*.Hα-helixtrans-62.9-47.6176.7-173.2179.1-179.3-178.20111.7E59 E60 A61 L65 K66 V67E59-K63 VanDerWaalsContact O-CB 3.3Å; E59-K63 WeakPolarHBondContact O-CB 3.2Å; E59-K63 PolarHBondContact O-N 3.38Å; E60-K63 PolarHBondContact O-N 3.24Å; A61-K63 VanDerWaalsContact C-N 3.35Å; A61-K63 PolarHBondContact O-N 2.83Å; K63-L65 PolarHBondContact O-N 2.9Å; K63-K66 PolarHBondContact O-N 2.96Å; K63-V67 WeakPolarHBondContact O-CG2 3.22Å; K63-V67 PolarHBondContact O-N 3Å
64K95Very high94.2Very high95 Ų9569.6 Ų69.641%0.41336%0.36SS..Hα-helixtrans-56.4-47.4175.4-80167.8170.7165.40111.5V47 E60 A61 V67 S68V47-K64 HydrophobicContact CG1-CD 4.44Å; E60-K64 HydrophobicContact CG-CD 4.37Å; E60-K64 WeakPolarHBondContact O-CB 3.23Å; E60-K64 VanDerWaalsContact O-CG 3.3Å; E60-K64 WeakPolarHBondContact O-CG 3.37Å; E60-K64 PolarHBondContact O-N 3.15Å; E60-K64 WeakPolarHBondContact OE1-CE 3.17Å; E60-K64 IonicContact OE1-NZ 3.76Å; E60-K64 PolarHBondContact OE1-NZ 2.91Å; E60-K64 WeakPolarHBondContact OE2-CE 3.18Å; E60-K64 IonicContact OE2-NZ 2.63Å; E60-K64 PolarHBondContact OE2-NZ 3.11Å; A61-K64 PolarHBondContact O-N 3.49Å; K64-V67 PolarHBondContact O-N 2.73Å; K64-S68 WeakPolarHBondContact O-CB 3.45Å; K64-S68 PolarHBondContact O-N 3.49Å
65L95.1Very high94.3Very high7 Ų769 Ų694%0.03735%0.353CS..Hα-helixtrans-66.7-37.5179-76.9167.6000113.3L44 V47 A61 V62 K63 K70 C132L44-L65 HydrophobicContact CB-CB 4.25Å; L44-L65 HydrophobicContact CB-CD1 4.09Å; V47-L65 HydrophobicContact CG2-CD1 4.04Å; V47-L65 HydrophobicContact CG2-CD2 3.83Å; V47-L65 HydrophobicContact CG2-CG 3.61Å; A61-L65 PolarHBondContact O-N 3.27Å; V62-L65 PolarHBondContact O-N 3.44Å; K63-L65 PolarHBondContact O-N 2.9Å; L65-K70 HydrophobicContact CD2-CD 4.16Å; L65-C132 HydrophobicContact CD1-CB 3.65Å
66K92.3Very high94.4Very high67 Ų6764.5 Ų64.529%0.29133%0.332SS..Hα-helixtrans-64.9-48.8174.3-77.1173.4178.3171.20112.2V62 K63 S68 G69 Y112V62-K66 HydrophobicContact CG1-CD 4.1Å; V62-K66 WeakPolarHBondContact O-CG 3.49Å; V62-K66 PolarHBondContact O-N 2.99Å; K63-K66 PolarHBondContact O-N 2.96Å; K66-S68 VanDerWaalsContact C-N 3.3Å; K66-S68 PolarHBondContact O-N 3.4Å; K66-G69 PolarHBondContact O-N 3.17Å; K66-Y112 HydrophobicContact CD-CE2 4.15Å; K66-Y112 VanDerWaalsContact NZ-CE1 3.27Å
67V93.7Very high94.4Very high123 Ų12359.1 Ų59.175%0.74531%0.307SS*.Hα-helixtrans-65.6-33.9178.7174.20000111.4K63 K64 G69K63-V67 WeakPolarHBondContact O-CG2 3.22Å; K63-V67 PolarHBondContact O-N 3Å; K64-V67 PolarHBondContact O-N 2.73Å; V67-G69 PolarHBondContact O-N 3.2Å; V67-G69 VanDerWaalsContact O-N 3.11Å
68S91.3Very high94.4Very high64 Ų6463.5 Ų63.545%0.44832%0.323SS..THydrogen-bonded Turntrans-66-7.8177.3-176.70000114.6K64 K66 K70K64-S68 WeakPolarHBondContact O-CB 3.45Å; K64-S68 PolarHBondContact O-N 3.49Å; K66-S68 VanDerWaalsContact C-N 3.3Å; K66-S68 PolarHBondContact O-N 3.4Å; S68-K70 PolarHBondContact O-N 2.92Å; S68-K70 VanDerWaalsContact OG-CE 3.29Å; S68-K70 WeakPolarHBondContact OG-CE 3.38Å
69G82.7Confident94.5Very high67 Ų6763.5 Ų63.569%0.69132%0.323SS*.THydrogen-bonded Turntrans62.512.7173.800000115.9K66 V67K66-G69 PolarHBondContact O-N 3.17Å; V67-G69 PolarHBondContact O-N 3.2Å; V67-G69 VanDerWaalsContact O-N 3.11Å
70K90.1Very high94.5Very high115 Ų11562.6 Ų62.650%0.532%0.321SS..  trans-62.4140.7-175.2-75172.4178.8175.10110.9L65 S68 T72L65-K70 HydrophobicContact CD2-CD 4.16Å; S68-K70 PolarHBondContact O-N 2.92Å; S68-K70 VanDerWaalsContact OG-CE 3.29Å; S68-K70 WeakPolarHBondContact OG-CE 3.38Å; K70-T72 WeakPolarHBondContact O-CG2 3.2Å; K70-T72 PolarHBondContact O-N 3.04Å; K70-T72 VanDerWaalsContact O-N 3.13Å
71K91Very high94.5Very high205 Ų20558.4 Ų58.489%0.89130%0.302SS*.  trans-63.2114.5177-69.8-178.9-179.7175.80109.4
72T93.3Very high94.4Very high46 Ų4664.5 Ų64.528%0.28234%0.335SS..PPolyproline II helixtrans-88130.2-176.6600000111R42 Y43 L44 K70R42-T72 PolarHBondContact NE-OG1 3.42Å; R42-T72 PolarHBondContact NH2-OG1 2.86Å; Y43-T72 CarbonylContact O-C 3.42Å; Y43-T72 WeakPolarHBondContact O-CA 3.34Å; Y43-T72 WeakPolarHBondContact O-CB 3.38Å; L44-T72 HydrophobicContact CD2-CG2 3.67Å; K70-T72 WeakPolarHBondContact O-CG2 3.2Å; K70-T72 PolarHBondContact O-N 3.04Å; K70-T72 VanDerWaalsContact O-N 3.13Å
73V96Very high94.4Very high48 Ų4864.7 Ų64.729%0.29134%0.337SS..EExtended strand (participates in β ladder)trans-86.3135-173.6-179.70000109.7R42 Y43 D88 I95R42-V73 CarbonylContact C-O 3.44Å; R42-V73 WeakPolarHBondContact CA-O 3.44Å; Y43-V73 PolarHBondContact N-O 3.1Å; Y43-V73 PolarHBondContact O-N 3.49Å; V73-D88 WeakPolarHBondContact CG1-OD2 3.46Å; V73-I95 HydrophobicContact CB-CD1 4.43Å; V73-I95 HydrophobicContact CG1-CD1 3.7Å
74K97.1Very high94.5Very high102 Ų10258.2 Ų58.244%0.44331%0.308SS..EExtended strand (participates in β ladder)trans-81123.9172-167.7-165.6176.2-156.10108.1D89 L136K74-D89 HydrophobicContact CB-CB 4.43Å; K74-D89 HydrophobicContact CD-CB 4.14Å; K74-D89 WeakPolarHBondContact CD-OD2 3.36Å; K74-D89 WeakPolarHBondContact CE-OD2 3.19Å; K74-D89 HydrophobicContact CG-CB 4.14Å; K74-D89 IonicContact NZ-OD2 3.64Å; K74-D89 PolarHBondContact NZ-OD2 3.36Å; K74-D89 WeakPolarHBondContact O-CB 3.39Å; K74-D89 PolarHBondContact O-N 3.4Å; K74-L136 HydrophobicContact CD-CD1 4.45Å; K74-L136 HydrophobicContact CG-CD1 4Å
75A97.5Very high94.6Very high2 Ų259.3 Ų59.32%0.01731%0.31CS..EExtended strand (participates in β ladder)trans-144.3167.5-169.400000112.3V41 V86 V87 I95V41-A75 HydrophobicContact CG2-CB 4.17Å; V41-A75 WeakPolarHBondContact CG2-O 3.17Å; V41-A75 PolarHBondContact N-O 3.41Å; V41-A75 PolarHBondContact O-N 2.74Å; A75-V86 HydrophobicContact CB-CG1 3.73Å; A75-V87 CarbonylContact C-O 3.52Å; A75-V87 WeakPolarHBondContact CA-O 3.33Å; A75-V87 VanDerWaalsContact CB-O 3.25Å; A75-V87 WeakPolarHBondContact CB-O 3.33Å; A75-I95 HydrophobicContact CB-CD1 4.37Å
76V97.7Very high94.7Very high23 Ų2359 Ų5914%0.13931%0.308CS..EExtended strand (participates in β ladder)trans-110.6121.4168-177.20000108.2N38 F39 W78 V87N38-V76 HydrophobicContact CB-CG1 3.83Å; F39-V76 CarbonylContact O-C 3.52Å; F39-V76 WeakPolarHBondContact O-CA 3.35Å; V76-W78 HydrophobicContact CG1-CZ2 4.47Å; V76-V87 PolarHBondContact N-O 3.24Å; V76-V87 PolarHBondContact O-N 3Å
77L97.7Very high95Very high0 Ų057.2 Ų57.20%030%0.303CS..EExtended strand (participates in β ladder)trans-90.9108.9171.9171.762.9000108.5N38 F39 V41 V79 L84 R85 V86 F116 L143N38-L77 CarbonylContact C-O 3.56Å; N38-L77 VanDerWaalsContact CA-O 3.29Å; N38-L77 WeakPolarHBondContact CA-O 3.29Å; F39-L77 PolarHBondContact N-O 2.87Å; F39-L77 PolarHBondContact O-N 3.15Å; V41-L77 HydrophobicContact CG1-CB 4.15Å; V41-L77 HydrophobicContact CG2-CB 3.97Å; L77-V79 HydrophobicContact CD2-CG2 4.47Å; L77-V79 HydrophobicContact CG-CG2 4.12Å; L77-L84 HydrophobicContact CD1-CB 4.23Å; L77-R85 CarbonylContact C-O 3.59Å; L77-R85 WeakPolarHBondContact CA-O 3.37Å; L77-V86 HydrophobicContact CD1-CG2 4.01Å; L77-F116 HydrophobicContact CD2-CD1 4.2Å; L77-F116 HydrophobicContact CD2-CE1 4.14Å; L77-L143 HydrophobicContact CD2-CD2 4.14Å
78W97.4Very high95.1Very high101 Ų10152.7 Ų52.738%0.38328%0.275SS..EExtended strand (participates in β ladder)trans-86.1136.1170.3-64.482.3000109.8C37 N38 V76 L84 R85C37-W78 WeakPolarHBondContact O-CA 3.36Å; N38-W78 HydrophobicContact CB-CD2 3.7Å; N38-W78 HydrophobicContact CB-CE3 3.65Å; N38-W78 HydrophobicContact CB-CG 4.22Å; N38-W78 HydrophobicContact CB-CH2 4.23Å; N38-W78 HydrophobicContact CB-CZ2 4.28Å; N38-W78 HydrophobicContact CB-CZ3 3.92Å; V76-W78 HydrophobicContact CG1-CZ2 4.47Å; W78-L84 WeakPolarHBondContact O-CA 3.47Å; W78-R85 HydrophobicContact CB-CB 4.15Å; W78-R85 PolarHBondContact N-O 3.16Å; W78-R85 PolarHBondContact O-N 3.15Å
79V97.8Very high95.3Very high0 Ų051.9 Ų51.90%027%0.265CS..EExtended strand (participates in β ladder)trans-122.5119.7-177.5-176.10000109V32 C37 F39 L77 L84 A146 V147 A150V32-V79 HydrophobicContact CG1-CG1 4.44Å; V32-V79 HydrophobicContact CG2-CB 4.25Å; V32-V79 HydrophobicContact CG2-CG1 3.86Å; C37-V79 HydrophobicContact CB-CB 4.42Å; C37-V79 PolarHBondContact O-N 2.75Å; F39-V79 HydrophobicContact CD2-CG2 3.96Å; F39-V79 HydrophobicContact CE2-CG2 3.91Å; L77-V79 HydrophobicContact CD2-CG2 4.47Å; L77-V79 HydrophobicContact CG-CG2 4.12Å; V79-L84 HydrophobicContact CB-CD2 4.34Å; V79-L84 HydrophobicContact CG1-CD2 3.9Å; V79-L84 HydrophobicContact CG2-CD2 4.18Å; V79-A146 HydrophobicContact CG1-CB 4.44Å; V79-V147 HydrophobicContact CG1-CG2 3.97Å; V79-V147 HydrophobicContact CG2-CG2 4.04Å; V79-A150 HydrophobicContact CG1-CB 3.93Å
80S96.6Very high95.9Very high19 Ų1957.4 Ų57.413%0.13327%0.27CS..  trans-138.6161.4179.368.80000109.9D82 G83 I100 A150S80-D82 PolarHBondContact O-N 3.22Å; S80-G83 PolarHBondContact N-O 3.11Å; S80-G83 VanDerWaalsContact N-O 3.15Å; S80-G83 PolarHBondContact O-N 3.18Å; S80-G83 PolarHBondContact OG-N 3.18Å; S80-G83 PolarHBondContact OG-O 2.88Å; S80-I100 WeakPolarHBondContact O-CG1 3.39Å; S80-A150 WeakPolarHBondContact O-CB 3.41Å
81A94.6Very high96.2Very high5 Ų555.9 Ų55.94%0.04127%0.271CS..SBendtrans-64.5-18.3175.500000113.6A153 C154 R157A81-A153 HydrophobicContact CB-CB 4.23Å; A81-C154 WeakPolarHBondContact O-CB 3.25Å; A81-R157 VanDerWaalsContact CB-NH1 3.35Å
82D94.6Very high96.4Very high129 Ų12952.2 Ų52.269%0.6926%0.255SS*.SBendtrans-89.9-41.5179.3-48.4-66.6000111.9S80 T99 I100S80-D82 PolarHBondContact O-N 3.22Å; D82-T99 WeakPolarHBondContact O-CA 3.34Å; D82-I100 PolarHBondContact O-N 3.36Å
83G95.9Very high96.5Very high4 Ų454.9 Ų54.94%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-162.8160.9-176.100000116.1S80 Q98S80-G83 PolarHBondContact N-O 3.11Å; S80-G83 VanDerWaalsContact N-O 3.15Å; S80-G83 PolarHBondContact O-N 3.18Å; S80-G83 PolarHBondContact OG-N 3.18Å; S80-G83 PolarHBondContact OG-O 2.88Å; G83-Q98 CarbonylContact C-O 3.49Å; G83-Q98 VanDerWaalsContact CA-O 3.28Å; G83-Q98 WeakPolarHBondContact CA-O 3.36Å
84L97.4Very high96.6Very high0 Ų057.1 Ų57.10%028%0.277CS..EExtended strand (participates in β ladder)trans-96.2120.1165.5-54.3-178.1000108.5L77 W78 V79 Q98 I100 V103 Y118 V147L77-L84 HydrophobicContact CD1-CB 4.23Å; W78-L84 WeakPolarHBondContact O-CA 3.47Å; V79-L84 HydrophobicContact CB-CD2 4.34Å; V79-L84 HydrophobicContact CG1-CD2 3.9Å; V79-L84 HydrophobicContact CG2-CD2 4.18Å; L84-Q98 HydrophobicContact CB-CB 4.35Å; L84-Q98 PolarHBondContact N-O 3.42Å; L84-Q98 PolarHBondContact O-N 2.87Å; L84-I100 HydrophobicContact CD2-CD1 3.71Å; L84-I100 HydrophobicContact CG-CD1 3.77Å; L84-V103 HydrophobicContact CD1-CG2 4.41Å; L84-Y118 HydrophobicContact CB-CE1 4.44Å; L84-Y118 HydrophobicContact CD1-CD1 3.51Å; L84-Y118 HydrophobicContact CD1-CE1 3.47Å; L84-Y118 VanDerWaalsContact CD1-CE1 3.47Å; L84-Y118 HydrophobicContact CD1-CG 4.12Å; L84-V147 HydrophobicContact CD1-CG1 4.14Å; L84-V147 HydrophobicContact CD1-CG2 4.37Å; L84-V147 HydrophobicContact CD2-CG1 4.27Å; L84-V147 HydrophobicContact CD2-CG2 3.79Å
85R97.3Very high96.5Very high119 Ų11955.4 Ų55.445%0.44927%0.272SS..EExtended strand (participates in β ladder)trans-119.1125.7-176.9-76.7174.6172.8176.3-8.8111.3L77 W78 L94 V96 D97L77-R85 CarbonylContact C-O 3.59Å; L77-R85 WeakPolarHBondContact CA-O 3.37Å; W78-R85 HydrophobicContact CB-CB 4.15Å; W78-R85 PolarHBondContact N-O 3.16Å; W78-R85 PolarHBondContact O-N 3.15Å; R85-L94 HydrophobicContact CB-CD1 4.02Å; R85-L94 HydrophobicContact CG-CD1 4.16Å; R85-V96 WeakPolarHBondContact CA-O 3.46Å; R85-D97 HydrophobicContact CG-CB 4.43Å; R85-D97 WeakPolarHBondContact CG-OD1 3.29Å; R85-D97 IonicContact CZ-OD1 2.59Å; R85-D97 IonicContact CZ-OD2 2.92Å; R85-D97 IonicContact NE-OD1 2.76Å; R85-D97 PolarHBondContact NE-OD1 3.25Å; R85-D97 IonicContact NE-OD2 3.9Å; R85-D97 PolarHBondContact NE-OD2 3.18Å; R85-D97 IonicContact NH2-OD1 3.97Å; R85-D97 IonicContact NH2-OD2 2.67Å; R85-D97 PolarHBondContact NH2-OD2 2.8Å
86V97.7Very high96.4Very high0 Ų056.2 Ų56.20%028%0.277CS..EExtended strand (participates in β ladder)trans-108.7115.3-178.8-174.50000108.4A75 L77 I95 V96 F133A75-V86 HydrophobicContact CB-CG1 3.73Å; L77-V86 HydrophobicContact CD1-CG2 4.01Å; V86-I95 HydrophobicContact CB-CB 4.45Å; V86-I95 HydrophobicContact CG1-CB 4.34Å; V86-I95 HydrophobicContact CG1-CD1 4.26Å; V86-I95 WeakPolarHBondContact O-CB 3.38Å; V86-I95 PolarHBondContact O-N 3.28Å; V86-V96 HydrophobicContact CB-CB 3.9Å; V86-V96 HydrophobicContact CB-CG2 4.07Å; V86-V96 HydrophobicContact CG2-CB 3.86Å; V86-V96 HydrophobicContact CG2-CG2 4.11Å; V86-V96 PolarHBondContact N-O 3.03Å; V86-V96 PolarHBondContact O-N 3.44Å; V86-F133 HydrophobicContact CG1-CE1 4.19Å; V86-F133 HydrophobicContact CG2-CE1 3.59Å; V86-F133 HydrophobicContact CG2-CZ 3.77Å
87V97.4Very high96.3Very high29 Ų2959 Ų5918%0.17629%0.291CS..EExtended strand (participates in β ladder)trans-114131.3-177.2178.50000109.6A75 V76 D89 K92 D93 L94A75-V87 CarbonylContact C-O 3.52Å; A75-V87 WeakPolarHBondContact CA-O 3.33Å; A75-V87 VanDerWaalsContact CB-O 3.25Å; A75-V87 WeakPolarHBondContact CB-O 3.33Å; V76-V87 PolarHBondContact N-O 3.24Å; V76-V87 PolarHBondContact O-N 3Å; V87-D89 PolarHBondContact O-N 2.93Å; V87-K92 HydrophobicContact CG1-CB 4.4Å; V87-K92 WeakPolarHBondContact CG1-O 3.39Å; V87-D93 CarbonylContact C-O 3.55Å; V87-D93 VanDerWaalsContact CA-O 3.28Å; V87-D93 WeakPolarHBondContact CA-O 3.44Å; V87-L94 HydrophobicContact CG2-CD1 4.07Å
88D97Very high96.2Very high29 Ų2959.9 Ų59.916%0.15530%0.295CS..EExtended strand (participates in β ladder)trans-62134.8177-165.6-61.3000110.4V73 K90 T91 K92 D93 I95V73-D88 WeakPolarHBondContact CG1-OD2 3.46Å; D88-K90 VanDerWaalsContact C-N 3.31Å; D88-K90 PolarHBondContact O-N 2.78Å; D88-K90 WeakPolarHBondContact OD1-CA 3.34Å; D88-K90 WeakPolarHBondContact OD1-CB 3.09Å; D88-K90 PolarHBondContact OD1-N 2.91Å; D88-T91 WeakPolarHBondContact CB-OG1 3.47Å; D88-T91 PolarHBondContact OD1-N 2.97Å; D88-K92 WeakPolarHBondContact O-CA 3.28Å; D88-K92 WeakPolarHBondContact O-CD 3.49Å; D88-K92 PolarHBondContact O-N 2.87Å; D88-K92 VanDerWaalsContact O-N 3.09Å; D88-D93 PolarHBondContact N-O 2.82Å; D88-I95 HydrophobicContact CB-CD1 3.92Å; D88-I95 HydrophobicContact CB-CG1 4.22Å
89D95.6Very high96.1Very high46 Ų4657.8 Ų57.825%0.24629%0.293CS..THydrogen-bonded Turntrans-75.3-20.1-179.1-172.542.3000113.2K74 V87 K92K74-D89 HydrophobicContact CB-CB 4.43Å; K74-D89 HydrophobicContact CD-CB 4.14Å; K74-D89 WeakPolarHBondContact CD-OD2 3.36Å; K74-D89 WeakPolarHBondContact CE-OD2 3.19Å; K74-D89 HydrophobicContact CG-CB 4.14Å; K74-D89 IonicContact NZ-OD2 3.64Å; K74-D89 PolarHBondContact NZ-OD2 3.36Å; K74-D89 WeakPolarHBondContact O-CB 3.39Å; K74-D89 PolarHBondContact O-N 3.4Å; V87-D89 PolarHBondContact O-N 2.93Å; D89-K92 WeakPolarHBondContact O-CE 3.34Å; D89-K92 PolarHBondContact O-NZ 2.87Å; D89-K92 IonicContact OD1-NZ 2.86Å; D89-K92 PolarHBondContact OD1-NZ 3.45Å
90K93.9Very high96Very high184 Ų18457.9 Ų57.980%0.829%0.294SS*.THydrogen-bonded Turntrans-90.4-55.8178.1-64.8-173.4174.1-170.30112.7D88D88-K90 VanDerWaalsContact C-N 3.31Å; D88-K90 PolarHBondContact O-N 2.78Å; D88-K90 WeakPolarHBondContact OD1-CA 3.34Å; D88-K90 WeakPolarHBondContact OD1-CB 3.09Å; D88-K90 PolarHBondContact OD1-N 2.91Å
91T96Very high95.9Very high82 Ų8263.5 Ų63.550%0.50332%0.318SS..THydrogen-bonded Turntrans-88.8-19.3-174.362.70000113.1D88 D93D88-T91 WeakPolarHBondContact CB-OG1 3.47Å; D88-T91 PolarHBondContact OD1-N 2.97Å; T91-D93 WeakPolarHBondContact CB-OD2 3.01Å; T91-D93 PolarHBondContact O-N 2.79Å; T91-D93 WeakPolarHBondContact OG1-CB 3.38Å; T91-D93 VanDerWaalsContact OG1-CG 3.22Å; T91-D93 PolarHBondContact OG1-N 3.45Å; T91-D93 PolarHBondContact OG1-OD2 2.74Å
92K95.9Very high95.9Very high128 Ų12868.6 Ų68.656%0.55734%0.339SS*.  trans63.818-170.3-48.4-49.4-168.3-171.30114.3V87 D88 D89V87-K92 HydrophobicContact CG1-CB 4.4Å; V87-K92 WeakPolarHBondContact CG1-O 3.39Å; D88-K92 WeakPolarHBondContact O-CA 3.28Å; D88-K92 WeakPolarHBondContact O-CD 3.49Å; D88-K92 PolarHBondContact O-N 2.87Å; D88-K92 VanDerWaalsContact O-N 3.09Å; D89-K92 WeakPolarHBondContact O-CE 3.34Å; D89-K92 PolarHBondContact O-NZ 2.87Å; D89-K92 IonicContact OD1-NZ 2.86Å; D89-K92 PolarHBondContact OD1-NZ 3.45Å
93D96.2Very high96Very high102 Ų10262.9 Ų62.955%0.54531%0.309SS..  trans-69.4146.5172.1-64.3-48.9000112.1V87 D88 T91 I95V87-D93 CarbonylContact C-O 3.55Å; V87-D93 VanDerWaalsContact CA-O 3.28Å; V87-D93 WeakPolarHBondContact CA-O 3.44Å; D88-D93 PolarHBondContact N-O 2.82Å; T91-D93 WeakPolarHBondContact CB-OD2 3.01Å; T91-D93 PolarHBondContact O-N 2.79Å; T91-D93 WeakPolarHBondContact OG1-CB 3.38Å; T91-D93 VanDerWaalsContact OG1-CG 3.22Å; T91-D93 PolarHBondContact OG1-N 3.45Å; T91-D93 PolarHBondContact OG1-OD2 2.74Å; D93-I95 PolarHBondContact O-N 2.9Å
94L96.9Very high96Very high95 Ų9565.1 Ų65.150%0.49732%0.324SS..EExtended strand (participates in β ladder)trans-81.7103.9173.2-176.860.8000110.1R85 V87 V96 D97R85-L94 HydrophobicContact CB-CD1 4.02Å; R85-L94 HydrophobicContact CG-CD1 4.16Å; V87-L94 HydrophobicContact CG2-CD1 4.07Å; L94-V96 WeakPolarHBondContact CD1-O 3.29Å; L94-D97 HydrophobicContact CD2-CB 4.13Å
95I95.5Very high95.9Very high66 Ų6667.8 Ų67.834%0.33834%0.336SS..EExtended strand (participates in β ladder)trans-78.6-39-178.2-47.1179.5000111.4Y43 V73 A75 V86 D88 D93Y43-I95 HydrophobicContact CD1-CG2 4.23Å; Y43-I95 HydrophobicContact CE1-CG2 4.14Å; V73-I95 HydrophobicContact CB-CD1 4.43Å; V73-I95 HydrophobicContact CG1-CD1 3.7Å; A75-I95 HydrophobicContact CB-CD1 4.37Å; V86-I95 HydrophobicContact CB-CB 4.45Å; V86-I95 HydrophobicContact CG1-CB 4.34Å; V86-I95 HydrophobicContact CG1-CD1 4.26Å; V86-I95 WeakPolarHBondContact O-CB 3.38Å; V86-I95 PolarHBondContact O-N 3.28Å; D88-I95 HydrophobicContact CB-CD1 3.92Å; D88-I95 HydrophobicContact CB-CG1 4.22Å; D93-I95 PolarHBondContact O-N 2.9Å
96V95.5Very high95.9Very high19 Ų1963.3 Ų63.312%0.11532%0.323CS..EExtended strand (participates in β ladder)trans-143.3131.2-177.5-172.60000109.4Y43 R85 V86 L94 Q98Y43-V96 HydrophobicContact CE1-CG2 4.33Å; R85-V96 WeakPolarHBondContact CA-O 3.46Å; V86-V96 HydrophobicContact CB-CB 3.9Å; V86-V96 HydrophobicContact CB-CG2 4.07Å; V86-V96 HydrophobicContact CG2-CB 3.86Å; V86-V96 HydrophobicContact CG2-CG2 4.11Å; V86-V96 PolarHBondContact N-O 3.03Å; V86-V96 PolarHBondContact O-N 3.44Å; L94-V96 WeakPolarHBondContact CD1-O 3.29Å; V96-Q98 HydrophobicContact CG1-CB 3.96Å
97D95.4Very high95.9Very high82 Ų8263.4 Ų63.444%0.43932%0.323SS..EExtended strand (participates in β ladder)trans-120.698.7165.3-166.38.2000109.6R85 L94R85-D97 HydrophobicContact CG-CB 4.43Å; R85-D97 WeakPolarHBondContact CG-OD1 3.29Å; R85-D97 IonicContact CZ-OD1 2.59Å; R85-D97 IonicContact CZ-OD2 2.92Å; R85-D97 IonicContact NE-OD1 2.76Å; R85-D97 PolarHBondContact NE-OD1 3.25Å; R85-D97 IonicContact NE-OD2 3.9Å; R85-D97 PolarHBondContact NE-OD2 3.18Å; R85-D97 IonicContact NH2-OD1 3.97Å; R85-D97 IonicContact NH2-OD2 2.67Å; R85-D97 PolarHBondContact NH2-OD2 2.8Å; L94-D97 HydrophobicContact CD2-CB 4.13Å
98Q96.3Very high95.8Very high19 Ų1964.3 Ų64.39%0.08933%0.329CS..EExtended strand (participates in β ladder)trans-112.399.8-170.1176.660.757.900110.3G83 L84 V96 I100 K102 V103 Y118 C120G83-Q98 CarbonylContact C-O 3.49Å; G83-Q98 VanDerWaalsContact CA-O 3.28Å; G83-Q98 WeakPolarHBondContact CA-O 3.36Å; L84-Q98 HydrophobicContact CB-CB 4.35Å; L84-Q98 PolarHBondContact N-O 3.42Å; L84-Q98 PolarHBondContact O-N 2.87Å; V96-Q98 HydrophobicContact CG1-CB 3.96Å; Q98-I100 PolarHBondContact O-N 2.85Å; Q98-K102 VanDerWaalsContact NE2-CB 3.27Å; Q98-V103 HydrophobicContact CG-CG2 3.62Å; Q98-Y118 HydrophobicContact CG-CE2 3.74Å; Q98-C120 HydrophobicContact CG-CB 4.47Å; Q98-C120 PolarHBondContact OE1-SG 2.83Å
99T95.7Very high95.7Very high56 Ų5663.3 Ų63.334%0.34432%0.324SS..EExtended strand (participates in β ladder)trans-54.7131.8174.752.30000111.7D82 E101 K102D82-T99 WeakPolarHBondContact O-CA 3.34Å; T99-E101 VanDerWaalsContact C-N 3.27Å; T99-E101 PolarHBondContact O-N 3.11Å; T99-K102 PolarHBondContact O-N 3.4Å; T99-K102 VanDerWaalsContact O-N 3.13Å; T99-K102 WeakPolarHBondContact OG1-CD 3.28Å; T99-K102 WeakPolarHBondContact OG1-CG 3.47Å
100I95.3Very high95.6Very high2 Ų270.9 Ų70.91%0.0135%0.349CS..G310 helixtrans-56.4-40.2-177-67.3-68.8000111.6S80 D82 L84 Q98 K102 V103 A150 F151 C154S80-I100 WeakPolarHBondContact O-CG1 3.39Å; D82-I100 PolarHBondContact O-N 3.36Å; L84-I100 HydrophobicContact CD2-CD1 3.71Å; L84-I100 HydrophobicContact CG-CD1 3.77Å; Q98-I100 PolarHBondContact O-N 2.85Å; I100-K102 PolarHBondContact O-N 3.03Å; I100-V103 PolarHBondContact O-N 2.88Å; I100-A150 HydrophobicContact CD1-CB 3.87Å; I100-A150 HydrophobicContact CG1-CB 4.42Å; I100-F151 HydrophobicContact CG2-CD1 3.61Å; I100-F151 HydrophobicContact CG2-CE1 3.95Å; I100-F151 HydrophobicContact CG2-CG 4.35Å; I100-C154 HydrophobicContact CB-CB 4.37Å; I100-C154 HydrophobicContact CG2-CB 3.67Å
101E93.7Very high95.5Very high138 Ų13867.2 Ų67.265%0.64534%0.339SS*.G310 helixtrans-57.2-20.8-179.5-60.8-171.2152.500115T99T99-E101 VanDerWaalsContact C-N 3.27Å; T99-E101 PolarHBondContact O-N 3.11Å
102K95.1Very high95.4Very high111 Ų11168.4 Ų68.448%0.48334%0.335SS..G310 helixtrans-94.3-12.1177.7-73.2-179.7-167.2166.80113.5Q98 T99 I100 C120 R121Q98-K102 VanDerWaalsContact NE2-CB 3.27Å; T99-K102 PolarHBondContact O-N 3.4Å; T99-K102 VanDerWaalsContact O-N 3.13Å; T99-K102 WeakPolarHBondContact OG1-CD 3.28Å; T99-K102 WeakPolarHBondContact OG1-CG 3.47Å; I100-K102 PolarHBondContact O-N 3.03Å; K102-C120 CarbonylContact O-C 3.6Å; K102-C120 VanDerWaalsContact O-CA 3.27Å; K102-C120 WeakPolarHBondContact O-CA 3.45Å; K102-C120 WeakPolarHBondContact O-CB 3.3Å; K102-R121 PolarHBondContact O-N 2.78Å
103V95.9Very high95.3Very high10 Ų1068.5 Ų68.56%0.06134%0.341CS..EExtended strand (participates in β ladder)trans-83.2124.2179-166.30000107.6L84 Q98 I100 Y118 I119 C120 F151L84-V103 HydrophobicContact CD1-CG2 4.41Å; Q98-V103 HydrophobicContact CG-CG2 3.62Å; I100-V103 PolarHBondContact O-N 2.88Å; V103-Y118 HydrophobicContact CG1-CD2 3.79Å; V103-Y118 HydrophobicContact CG1-CG 3.97Å; V103-Y118 HydrophobicContact CG2-CD2 4.4Å; V103-I119 VanDerWaalsContact CG1-O 3.27Å; V103-I119 WeakPolarHBondContact CG1-O 3.45Å; V103-C120 HydrophobicContact CB-CB 4.46Å; V103-C120 HydrophobicContact CG2-CB 4.24Å; V103-F151 HydrophobicContact CB-CE1 3.95Å; V103-F151 HydrophobicContact CB-CZ 3.56Å; V103-F151 HydrophobicContact CG1-CE1 4.44Å; V103-F151 HydrophobicContact CG1-CE2 4.3Å; V103-F151 HydrophobicContact CG1-CZ 3.57Å; V103-F151 VanDerWaalsContact O-CE1 3.25Å; V103-F151 WeakPolarHBondContact O-CE1 3.32Å
104S95.6Very high95.3Very high50 Ų5067.8 Ų67.835%0.3533%0.333SS..EExtended strand (participates in β ladder)trans-97.3-25.7-175.148.90000113.3S52 I119 W128S52-S104 WeakPolarHBondContact O-CB 3.37Å; S52-S104 PolarHBondContact O-OG 2.89Å; S104-I119 PolarHBondContact N-O 2.91Å; S104-I119 PolarHBondContact OG-O 3.3Å; S104-W128 WeakPolarHBondContact OG-CZ3 3.39Å
105F97.2Very high95.3Very high56 Ų5663.2 Ų63.225%0.24631%0.309CS..EExtended strand (participates in β ladder)trans-158.9148.3-176.4-174.2-110.6000110.8R53 G54 M55 A107 Y118 I119R53-F105 HydrophobicContact CB-CB 3.87Å; R53-F105 HydrophobicContact CB-CD2 3.96Å; R53-F105 HydrophobicContact CB-CG 3.88Å; G54-F105 VanDerWaalsContact C-CE1 3.45Å; G54-F105 VanDerWaalsContact N-CE1 3.33Å; M55-F105 HydrophobicContact CG-CZ 4.15Å; F105-A107 HydrophobicContact CD1-CB 4.47Å; F105-A107 HydrophobicContact CE1-CB 3.63Å; F105-A107 HydrophobicContact CZ-CB 4.01Å; F105-Y118 CarbonylContact O-C 3.46Å; F105-Y118 VanDerWaalsContact O-CA 3.27Å; F105-Y118 WeakPolarHBondContact O-CA 3.23Å; F105-Y118 WeakPolarHBondContact O-CB 3.4Å; F105-I119 HydrophobicContact CB-CB 4.42Å; F105-I119 HydrophobicContact CD1-CD1 4.19Å; F105-I119 PolarHBondContact N-O 2.65Å; F105-I119 PolarHBondContact O-N 3.02Å
106C96.8Very high95.4Very high26 Ų2660.1 Ų60.118%0.17629%0.293CS..EExtended strand (participates in β ladder)trans-138.6145.3168.1660000110.5F116 S117 V147 F151C106-F116 HydrophobicContact CB-CE2 3.95Å; C106-F116 HydrophobicContact CB-CZ 3.98Å; C106-S117 WeakPolarHBondContact CA-O 3.47Å; C106-V147 HydrophobicContact CB-CG1 4.11Å; C106-F151 HydrophobicContact CB-CE2 4.23Å
107A96.3Very high95.5Very high2 Ų259.2 Ų59.22%0.01729%0.288CS..EExtended strand (participates in β ladder)trans-150.1148.8179.800000112.9M55 C58 F105 S117M55-A107 HydrophobicContact CG-CB 4.31Å; C58-A107 HydrophobicContact CB-CB 4.5Å; F105-A107 HydrophobicContact CD1-CB 4.47Å; F105-A107 HydrophobicContact CE1-CB 3.63Å; F105-A107 HydrophobicContact CZ-CB 4.01Å; A107-S117 PolarHBondContact N-O 3.5Å; A107-S117 PolarHBondContact O-N 3.03Å; A107-S117 PolarHBondContact O-OG 3.07Å
108P96.4Very high95.6Very high47 Ų4755.3 Ų55.331%0.30527%0.267SS..EExtended strand (participates in β ladder)trans-72.5161.8157.434.9-32.7000109.6E141 S144P108-E141 HydrophobicContact CB-CG 4.21Å; P108-E141 HydrophobicContact CG-CG 4.46Å; P108-S144 VanDerWaalsContact CD-OG 3.28Å; P108-S144 WeakPolarHBondContact CD-OG 3.23Å; P108-S144 VanDerWaalsContact N-OG 3.13Å
109D95.8Very high95.7Very high8 Ų854.4 Ų54.44%0.04326%0.263CS..EExtended strand (participates in β ladder)trans-97.8128.5178.6-178.6-51.4000110.1V62 N111 Y112 A115V62-D109 WeakPolarHBondContact CB-OD2 3.45Å; V62-D109 WeakPolarHBondContact CG1-OD2 3.4Å; D109-N111 VanDerWaalsContact C-N 3.29Å; D109-N111 PolarHBondContact O-N 3.24Å; D109-N111 WeakPolarHBondContact OD1-CA 3.41Å; D109-N111 WeakPolarHBondContact OD1-CB 3.27Å; D109-N111 PolarHBondContact OD1-N 2.89Å; D109-Y112 CarbonylContact O-C 3.51Å; D109-Y112 PolarHBondContact O-N 3.48Å; D109-Y112 WeakPolarHBondContact OD1-CD2 3.27Å; D109-Y112 PolarHBondContact OD1-N 2.97Å; D109-A115 HydrophobicContact CB-CB 3.66Å; D109-A115 PolarHBondContact N-O 2.81Å
110R93.3Very high95.7Very high205 Ų20551.8 Ų51.877%0.77425%0.247SC*.THydrogen-bonded Turntrans-80-6.5-176.1-153.5-170.169.7-173.6-1.2114E59E59-R110 WeakPolarHBondContact OE1-CB 3.27Å; E59-R110 PolarHBondContact OE1-N 3.42Å
111N92Very high95.8Very high108 Ų10857.5 Ų57.558%0.57827%0.268SS*.THydrogen-bonded Turntrans-101.5-13173-69.6126.7000112.8D109D109-N111 VanDerWaalsContact C-N 3.29Å; D109-N111 PolarHBondContact O-N 3.24Å; D109-N111 WeakPolarHBondContact OD1-CA 3.41Å; D109-N111 WeakPolarHBondContact OD1-CB 3.27Å; D109-N111 PolarHBondContact OD1-N 2.89Å
112Y93.3Very high95.8Very high107 Ų10753 Ų5342%0.4225%0.249SC..EExtended strand (participates in β ladder)trans-145.895.4-174.5-59.4-73.4000111.5V62 K66 D109 K114 A115V62-Y112 HydrophobicContact CG1-CD2 4.3Å; K66-Y112 HydrophobicContact CD-CE2 4.15Å; K66-Y112 VanDerWaalsContact NZ-CE1 3.27Å; D109-Y112 CarbonylContact O-C 3.51Å; D109-Y112 PolarHBondContact O-N 3.48Å; D109-Y112 WeakPolarHBondContact OD1-CD2 3.27Å; D109-Y112 PolarHBondContact OD1-N 2.97Å; Y112-K114 PolarHBondContact O-N 3.47Å; Y112-A115 PolarHBondContact O-N 3.4Å
113D94.4Very high95.4Very high130 Ų13050.6 Ų50.670%0.69526%0.255SS*.EExtended strand (participates in β ladder)trans-51.4-19-176.1-38.5-16.2000115.6S139 G140D113-S139 CarbonylContact O-C 3.55Å; D113-S139 WeakPolarHBondContact O-CA 3.21Å; D113-S139 WeakPolarHBondContact O-CB 3.12Å; D113-G140 PolarHBondContact O-N 2.88Å
114K95.6Very high95.1Very high86 Ų8656 Ų5637%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-103.2-9.3178.4-65.7-159.3159.7-1640114.5Y112 M134 A135 L136 K137 D138Y112-K114 PolarHBondContact O-N 3.47Å; K114-M134 HydrophobicContact CB-SD 3.78Å; K114-M134 CarbonylContact O-C 3.56Å; K114-A135 HydrophobicContact CB-CB 4.43Å; K114-A135 WeakPolarHBondContact O-CB 3.19Å; K114-A135 PolarHBondContact O-N 3.01Å; K114-L136 PolarHBondContact NZ-O 3.13Å; K114-K137 PolarHBondContact NZ-O 2.77Å; K114-D138 VanDerWaalsContact CE-O 3.31Å; K114-D138 WeakPolarHBondContact CE-O 3.41Å; K114-D138 WeakPolarHBondContact CG-O 3.48Å
115A96.7Very high94.8Very high0 Ų056.9 Ų56.90%029%0.292CS..EExtended strand (participates in β ladder)trans-81.9138.1176.500000110.8V62 D109 Y112 F133 M134V62-A115 HydrophobicContact CG1-CB 4.2Å; V62-A115 HydrophobicContact CG2-CB 4.48Å; D109-A115 HydrophobicContact CB-CB 3.66Å; D109-A115 PolarHBondContact N-O 2.81Å; Y112-A115 PolarHBondContact O-N 3.4Å; A115-F133 VanDerWaalsContact CA-O 3.3Å; A115-F133 WeakPolarHBondContact CA-O 3.46Å; A115-M134 HydrophobicContact CB-CE 3.67Å; A115-M134 HydrophobicContact CB-SD 4.16Å
116F97.7Very high94.5Very high0 Ų063.6 Ų63.60%032%0.316CS..EExtended strand (participates in β ladder)trans-132.9145.3176.9170.6-112.9000108.5L77 C106 Y118 F133 L143 S144 V147L77-F116 HydrophobicContact CD2-CD1 4.2Å; L77-F116 HydrophobicContact CD2-CE1 4.14Å; C106-F116 HydrophobicContact CB-CE2 3.95Å; C106-F116 HydrophobicContact CB-CZ 3.98Å; F116-Y118 HydrophobicContact CE1-CD1 4.16Å; F116-F133 HydrophobicContact CD1-CD2 4.06Å; F116-F133 PolarHBondContact N-O 3.26Å; F116-F133 PolarHBondContact O-N 2.89Å; F116-L143 HydrophobicContact CB-CB 4.08Å; F116-L143 HydrophobicContact CB-CD2 3.91Å; F116-L143 HydrophobicContact CD1-CB 3.99Å; F116-L143 HydrophobicContact CD1-CD2 3.94Å; F116-L143 HydrophobicContact CD2-CB 4.11Å; F116-L143 HydrophobicContact CG-CB 3.76Å; F116-L143 HydrophobicContact CG-CD2 4.1Å; F116-S144 VanDerWaalsContact CD2-OG 3.22Å; F116-S144 WeakPolarHBondContact CD2-OG 3.48Å; F116-S144 WeakPolarHBondContact CE2-OG 3.42Å; F116-V147 HydrophobicContact CE1-CG2 4.05Å; F116-V147 HydrophobicContact CZ-CB 4.06Å; F116-V147 HydrophobicContact CZ-CG1 4.3Å; F116-V147 HydrophobicContact CZ-CG2 3.72Å
117S97.6Very high94.5Very high0 Ų068.5 Ų68.50%033%0.331CS..EExtended strand (participates in β ladder)trans-149.7156.4177.4610000112.5C58 C106 A107 H131C58-S117 WeakPolarHBondContact CB-OG 3.27Å; C58-S117 PolarHBondContact SG-OG 2.95Å; C106-S117 WeakPolarHBondContact CA-O 3.47Å; A107-S117 PolarHBondContact N-O 3.5Å; A107-S117 PolarHBondContact O-N 3.03Å; A107-S117 PolarHBondContact O-OG 3.07Å; S117-H131 VanDerWaalsContact CA-O 3.23Å; S117-H131 WeakPolarHBondContact CA-O 3.3Å; S117-H131 WeakPolarHBondContact CB-O 3.3Å
118Y98Very high94.5Very high0 Ų071.1 Ų71.10%034%0.34CS..EExtended strand (participates in β ladder)trans-136.8148.1169.265.6-106.5000110.9L84 Q98 V103 F105 F116 C120 C130 H131 F133L84-Y118 HydrophobicContact CB-CE1 4.44Å; L84-Y118 HydrophobicContact CD1-CD1 3.51Å; L84-Y118 HydrophobicContact CD1-CE1 3.47Å; L84-Y118 VanDerWaalsContact CD1-CE1 3.47Å; L84-Y118 HydrophobicContact CD1-CG 4.12Å; Q98-Y118 HydrophobicContact CG-CE2 3.74Å; V103-Y118 HydrophobicContact CG1-CD2 3.79Å; V103-Y118 HydrophobicContact CG1-CG 3.97Å; V103-Y118 HydrophobicContact CG2-CD2 4.4Å; F105-Y118 CarbonylContact O-C 3.46Å; F105-Y118 VanDerWaalsContact O-CA 3.27Å; F105-Y118 WeakPolarHBondContact O-CA 3.23Å; F105-Y118 WeakPolarHBondContact O-CB 3.4Å; F116-Y118 HydrophobicContact CE1-CD1 4.16Å; Y118-C120 HydrophobicContact CD2-CB 4.3Å; Y118-C120 HydrophobicContact CE2-CB 4.32Å; Y118-C130 CarbonylContact O-C 3.58Å; Y118-C130 WeakPolarHBondContact O-CA 3.44Å; Y118-H131 HydrophobicContact CD1-CB 4.42Å; Y118-H131 HydrophobicContact CD2-CB 4.16Å; Y118-H131 HydrophobicContact CE1-CB 3.98Å; Y118-H131 HydrophobicContact CE2-CB 3.66Å; Y118-H131 AromaticContact CE2-CD2 3.33Å; Y118-H131 WeakPolarHBondContact CE2-CD2 3.47Å; Y118-H131 AromaticContact CE2-CG 3.58Å; Y118-H131 AromaticContact CZ-CD2 3.84Å; Y118-H131 AromaticContact CZ-CG 3.63Å; Y118-H131 PolarHBondContact N-O 2.72Å; Y118-H131 VanDerWaalsContact N-O 3.12Å; Y118-H131 PolarHBondContact O-N 3.22Å; Y118-F133 AromaticContact CD1-CE2 3.9Å; Y118-F133 HydrophobicContact CD1-CE2 3.9Å; Y118-F133 AromaticContact CE1-CE2 3.46Å; Y118-F133 HydrophobicContact CE1-CE2 3.46Å; Y118-F133 VanDerWaalsContact CE1-CE2 3.46Å; Y118-F133 AromaticContact CE1-CZ 3.87Å; Y118-F133 HydrophobicContact CE1-CZ 3.87Å
119I97.6Very high94.5Very high0 Ų070.3 Ų70.30%033%0.333CS..EExtended strand (participates in β ladder)trans-101.5128.9171.5-55.6172.6000106.9V49 V57 V103 S104 F105 W128 M129 C130V49-I119 HydrophobicContact CG2-CD1 4.48Å; V49-I119 HydrophobicContact CG2-CG1 4.47Å; V49-I119 HydrophobicContact CG2-CG2 3.96Å; V57-I119 HydrophobicContact CB-CD1 4.2Å; V57-I119 HydrophobicContact CG1-CD1 3.99Å; V103-I119 VanDerWaalsContact CG1-O 3.27Å; V103-I119 WeakPolarHBondContact CG1-O 3.45Å; S104-I119 PolarHBondContact N-O 2.91Å; S104-I119 PolarHBondContact OG-O 3.3Å; F105-I119 HydrophobicContact CB-CB 4.42Å; F105-I119 HydrophobicContact CD1-CD1 4.19Å; F105-I119 PolarHBondContact N-O 2.65Å; F105-I119 PolarHBondContact O-N 3.02Å; I119-W128 HydrophobicContact CG2-CB 4.07Å; I119-W128 HydrophobicContact CG2-CE3 4.28Å; I119-M129 WeakPolarHBondContact CA-O 3.41Å; I119-C130 HydrophobicContact CG1-CB 4.26Å
120C96.8Very high94.6Very high2 Ų270 Ų701%0.01433%0.331CS..EExtended strand (participates in β ladder)trans-125.6161.1172.266.60000111Q98 K102 V103 Y118 M129Q98-C120 HydrophobicContact CG-CB 4.47Å; Q98-C120 PolarHBondContact OE1-SG 2.83Å; K102-C120 CarbonylContact O-C 3.6Å; K102-C120 VanDerWaalsContact O-CA 3.27Å; K102-C120 WeakPolarHBondContact O-CA 3.45Å; K102-C120 WeakPolarHBondContact O-CB 3.3Å; V103-C120 HydrophobicContact CB-CB 4.46Å; V103-C120 HydrophobicContact CG2-CB 4.24Å; Y118-C120 HydrophobicContact CD2-CB 4.3Å; Y118-C120 HydrophobicContact CE2-CB 4.32Å; C120-M129 PolarHBondContact N-O 3.05Å; C120-M129 PolarHBondContact O-N 3.18Å
121R95.5Very high94.8Very high121 Ų12160.8 Ų60.846%0.45730%0.297SS..EExtended strand (participates in β ladder)trans-90.9122.7170.8-154.1173.8-168.6160.57.1110.4K102 G123 R126 W128K102-R121 PolarHBondContact O-N 2.78Å; R121-G123 PolarHBondContact O-N 3.02Å; R121-R126 PolarHBondContact NE-O 3.36Å; R121-R126 PolarHBondContact NH2-O 2.81Å; R121-W128 HydrophobicContact CB-CE3 3.84Å; R121-W128 HydrophobicContact CB-CH2 4.13Å; R121-W128 HydrophobicContact CB-CZ3 3.52Å; R121-W128 HydrophobicContact CG-CD2 4.38Å; R121-W128 HydrophobicContact CG-CE3 3.97Å; R121-W128 HydrophobicContact CG-CH2 4.06Å; R121-W128 HydrophobicContact CG-CZ2 4.44Å; R121-W128 HydrophobicContact CG-CZ3 3.82Å
122D94.6Very high95Very high43 Ų4355.6 Ų55.623%0.2327%0.269CS..  trans-75.5119.2164.417322.6000109.3T124 T125 R126 R127 M129D122-T124 VanDerWaalsContact CG-OG1 3.25Å; D122-T124 PolarHBondContact O-N 2.82Å; D122-T124 PolarHBondContact OD1-N 3.1Å; D122-T124 PolarHBondContact OD1-OG1 2.94Å; D122-T124 PolarHBondContact OD2-OG1 3.14Å; D122-T125 VanDerWaalsContact OD2-CB 3.23Å; D122-T125 WeakPolarHBondContact OD2-CB 3.14Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.33Å; D122-T125 PolarHBondContact OD2-N 3.37Å; D122-T125 PolarHBondContact OD2-OG1 3Å; D122-R126 WeakPolarHBondContact O-CA 3.44Å; D122-R126 PolarHBondContact O-N 3.16Å; D122-R127 PolarHBondContact N-O 2.94Å; D122-R127 VanDerWaalsContact N-O 3.11Å; D122-M129 HydrophobicContact CB-CG 3.83Å
123G86.8Confident95.2Very high61 Ų6150.5 Ų50.563%0.62925%0.249SC*.THydrogen-bonded Turntrans-71.1-17.2177.800000113.9R121R121-G123 PolarHBondContact O-N 3.02Å
124T89.3Confident95.3Very high123 Ų12346.1 Ų46.176%0.75523%0.225SC*.THydrogen-bonded Turntrans-87.9-53.7-178.4690000111.9D122D122-T124 VanDerWaalsContact CG-OG1 3.25Å; D122-T124 PolarHBondContact O-N 2.82Å; D122-T124 PolarHBondContact OD1-N 3.1Å; D122-T124 PolarHBondContact OD1-OG1 2.94Å; D122-T124 PolarHBondContact OD2-OG1 3.14Å
125T90.3Very high95.4Very high70 Ų7042.2 Ų42.243%0.42921%0.208SC..THydrogen-bonded Turntrans-86.4-10.1178.365.50000114.4D122 R127D122-T125 VanDerWaalsContact OD2-CB 3.23Å; D122-T125 WeakPolarHBondContact OD2-CB 3.14Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.33Å; D122-T125 PolarHBondContact OD2-N 3.37Å; D122-T125 PolarHBondContact OD2-OG1 3Å; T125-R127 PolarHBondContact O-N 2.75Å; T125-R127 VanDerWaalsContact O-N 3.15Å; T125-R127 PolarHBondContact OG1-N 3.27Å
126R91Very high95.3Very high196 Ų19645.3 Ų45.374%0.7423%0.225SC*.  trans65.3-2.4-172.9-56.9-176.7170.8-153.5-3.3116.1R121 D122R121-R126 PolarHBondContact NE-O 3.36Å; R121-R126 PolarHBondContact NH2-O 2.81Å; D122-R126 WeakPolarHBondContact O-CA 3.44Å; D122-R126 PolarHBondContact O-N 3.16Å
127R95.4Very high95Very high129 Ų12953.5 Ų53.549%0.48726%0.26SS..  trans-75.7163.9-179.3-66.3159.9178.9-131.6-3.5111.9E48 D122 T125 M129E48-R127 HydrophobicContact CG-CB 4.36Å; E48-R127 WeakPolarHBondContact OE1-CD 3.42Å; E48-R127 IonicContact OE1-CZ 3.43Å; E48-R127 IonicContact OE1-NE 3.24Å; E48-R127 PolarHBondContact OE1-NE 3.05Å; E48-R127 IonicContact OE1-NH1 2.78Å; E48-R127 PolarHBondContact OE1-NH1 3.43Å; E48-R127 IonicContact OE2-CZ 3.88Å; E48-R127 IonicContact OE2-NH1 3.42Å; E48-R127 PolarHBondContact OE2-NH1 2.89Å; D122-R127 PolarHBondContact N-O 2.94Å; D122-R127 VanDerWaalsContact N-O 3.11Å; T125-R127 PolarHBondContact O-N 2.75Å; T125-R127 VanDerWaalsContact O-N 3.15Å; T125-R127 PolarHBondContact OG1-N 3.27Å; R127-M129 HydrophobicContact CB-SD 4.08Å
128W96.6Very high94.8Very high58 Ų5854.5 Ų54.522%0.2227%0.265CS..EExtended strand (participates in β ladder)trans-94.6133.4172.2-58.4106.1000109.8V49 S52 S104 I119 R121V49-W128 HydrophobicContact CG2-CB 3.76Å; V49-W128 PolarHBondContact N-O 2.91Å; V49-W128 WeakPolarHBondContact O-CB 3.15Å; S52-W128 VanDerWaalsContact CB-CE2 3.45Å; S52-W128 VanDerWaalsContact CB-CZ2 3.48Å; S104-W128 WeakPolarHBondContact OG-CZ3 3.39Å; I119-W128 HydrophobicContact CG2-CB 4.07Å; I119-W128 HydrophobicContact CG2-CE3 4.28Å; R121-W128 HydrophobicContact CB-CE3 3.84Å; R121-W128 HydrophobicContact CB-CH2 4.13Å; R121-W128 HydrophobicContact CB-CZ3 3.52Å; R121-W128 HydrophobicContact CG-CD2 4.38Å; R121-W128 HydrophobicContact CG-CE3 3.97Å; R121-W128 HydrophobicContact CG-CH2 4.06Å; R121-W128 HydrophobicContact CG-CZ2 4.44Å; R121-W128 HydrophobicContact CG-CZ3 3.82Å
129M96.7Very high94.7Very high30 Ų3055.5 Ų55.515%0.14827%0.272CS..EExtended strand (participates in β ladder)trans-126.7119.6-171.3-53.5-56.3-61.100109.1L46 E48 I119 C120 D122 R127L46-M129 HydrophobicContact CD1-CB 3.72Å; L46-M129 HydrophobicContact CD1-CE 4.3Å; L46-M129 HydrophobicContact CD2-CE 3.87Å; L46-M129 HydrophobicContact CG-CB 4.42Å; L46-M129 HydrophobicContact CG-CE 3.82Å; E48-M129 HydrophobicContact CB-CE 4.07Å; E48-M129 HydrophobicContact CB-SD 4.05Å; E48-M129 HydrophobicContact CG-SD 4.18Å; I119-M129 WeakPolarHBondContact CA-O 3.41Å; C120-M129 PolarHBondContact N-O 3.05Å; C120-M129 PolarHBondContact O-N 3.18Å; D122-M129 HydrophobicContact CB-CG 3.83Å; R127-M129 HydrophobicContact CB-SD 4.08Å
130C97.2Very high94.5Very high0 Ų055.5 Ų55.50%027%0.272CS..EExtended strand (participates in β ladder)trans-96.3117178.2-168.80000110.3L46 V47 V49 A61 Y118 I119L46-C130 VanDerWaalsContact CD1-O 3.28Å; L46-C130 WeakPolarHBondContact CD1-O 3.25Å; V47-C130 PolarHBondContact N-O 3.03Å; V47-C130 PolarHBondContact O-N 3.48Å; V49-C130 HydrophobicContact CG1-CB 3.64Å; V49-C130 HydrophobicContact CG2-CB 4.18Å; A61-C130 HydrophobicContact CB-CB 3.91Å; Y118-C130 CarbonylContact O-C 3.58Å; Y118-C130 WeakPolarHBondContact O-CA 3.44Å; I119-C130 HydrophobicContact CG1-CB 4.26Å
131H97.1Very high94.4Very high12 Ų1261.5 Ų61.56%0.05630%0.3CS..EExtended strand (participates in β ladder)trans-93.4127.2171.7-69-109.7000109.3Y43 L46 S117 Y118 F133Y43-H131 HydrophobicContact CE2-CB 4.32Å; Y43-H131 AromaticContact CE2-ND1 3.91Å; Y43-H131 AromaticContact CZ-ND1 3.88Å; Y43-H131 PolarHBondContact OH-ND1 3.32Å; L46-H131 HydrophobicContact CD1-CB 4.5Å; L46-H131 WeakPolarHBondContact CD1-CD2 3.37Å; L46-H131 WeakPolarHBondContact CD1-NE2 3.34Å; S117-H131 VanDerWaalsContact CA-O 3.23Å; S117-H131 WeakPolarHBondContact CA-O 3.3Å; S117-H131 WeakPolarHBondContact CB-O 3.3Å; Y118-H131 HydrophobicContact CD1-CB 4.42Å; Y118-H131 HydrophobicContact CD2-CB 4.16Å; Y118-H131 HydrophobicContact CE1-CB 3.98Å; Y118-H131 HydrophobicContact CE2-CB 3.66Å; Y118-H131 AromaticContact CE2-CD2 3.33Å; Y118-H131 WeakPolarHBondContact CE2-CD2 3.47Å; Y118-H131 AromaticContact CE2-CG 3.58Å; Y118-H131 AromaticContact CZ-CD2 3.84Å; Y118-H131 AromaticContact CZ-CG 3.63Å; Y118-H131 PolarHBondContact N-O 2.72Å; Y118-H131 VanDerWaalsContact N-O 3.12Å; Y118-H131 PolarHBondContact O-N 3.22Å; H131-F133 HydrophobicContact CB-CE2 3.68Å; H131-F133 HydrophobicContact CB-CZ 4.02Å
132C97.1Very high94.4Very high0 Ų057.3 Ų57.30%028%0.284CS..EExtended strand (participates in β ladder)trans-116.9139.1-177.2-54.90000112.2Y43 L44 G45 V62 L65Y43-C132 WeakPolarHBondContact CD2-O 3.39Å; L44-C132 HydrophobicContact CB-CB 4.12Å; L44-C132 WeakPolarHBondContact CB-O 3.39Å; L44-C132 HydrophobicContact CD1-CB 4.04Å; L44-C132 HydrophobicContact CG-CB 4.45Å; L44-C132 PolarHBondContact N-O 2.84Å; G45-C132 PolarHBondContact O-N 3.15Å; V62-C132 HydrophobicContact CG2-CB 3.93Å; L65-C132 HydrophobicContact CD1-CB 3.65Å
133F97.5Very high94.5Very high0 Ų055.2 Ų55.20%027%0.274CS..EExtended strand (participates in β ladder)trans-132.5156.4-175.5-56.4-89.8000110.7V41 R42 Y43 V86 A115 F116 Y118 H131V41-F133 HydrophobicContact CG2-CD1 4.06Å; R42-F133 CarbonylContact O-C 3.59Å; R42-F133 WeakPolarHBondContact O-CA 3.49Å; Y43-F133 AromaticContact CD2-CD1 3.79Å; Y43-F133 HydrophobicContact CD2-CD1 3.79Å; Y43-F133 AromaticContact CD2-CE1 3.36Å; Y43-F133 HydrophobicContact CD2-CE1 3.36Å; Y43-F133 AromaticContact CD2-CZ 3.82Å; Y43-F133 HydrophobicContact CD2-CZ 3.82Å; Y43-F133 HydrophobicContact CE2-CE1 4Å; Y43-F133 AromaticContact CE2-CZ 3.99Å; Y43-F133 HydrophobicContact CE2-CZ 3.99Å; Y43-F133 HydrophobicContact CG-CD1 4.46Å; Y43-F133 HydrophobicContact CG-CE1 4.09Å; V86-F133 HydrophobicContact CG1-CE1 4.19Å; V86-F133 HydrophobicContact CG2-CE1 3.59Å; V86-F133 HydrophobicContact CG2-CZ 3.77Å; A115-F133 VanDerWaalsContact CA-O 3.3Å; A115-F133 WeakPolarHBondContact CA-O 3.46Å; F116-F133 HydrophobicContact CD1-CD2 4.06Å; F116-F133 PolarHBondContact N-O 3.26Å; F116-F133 PolarHBondContact O-N 2.89Å; Y118-F133 AromaticContact CD1-CE2 3.9Å; Y118-F133 HydrophobicContact CD1-CE2 3.9Å; Y118-F133 AromaticContact CE1-CE2 3.46Å; Y118-F133 HydrophobicContact CE1-CE2 3.46Å; Y118-F133 VanDerWaalsContact CE1-CE2 3.46Å; Y118-F133 AromaticContact CE1-CZ 3.87Å; Y118-F133 HydrophobicContact CE1-CZ 3.87Å; H131-F133 HydrophobicContact CB-CE2 3.68Å; H131-F133 HydrophobicContact CB-CZ 4.02Å
134M96.8Very high94.9Very high38 Ų3853.1 Ų53.119%0.18725%0.249CC..EExtended strand (participates in β ladder)trans-126.2111.2170-17067.752.300108.5V41 R42 L44 K114 A115V41-M134 CarbonylContact C-O 3.55Å; V41-M134 WeakPolarHBondContact CA-O 3.29Å; R42-M134 HydrophobicContact CB-CB 4.33Å; R42-M134 PolarHBondContact N-O 2.94Å; R42-M134 PolarHBondContact O-N 2.93Å; L44-M134 HydrophobicContact CD1-CE 4.27Å; L44-M134 HydrophobicContact CD2-CB 4.14Å; K114-M134 HydrophobicContact CB-SD 3.78Å; K114-M134 CarbonylContact O-C 3.56Å; A115-M134 HydrophobicContact CB-CE 3.67Å; A115-M134 HydrophobicContact CB-SD 4.16Å
135A96.4Very high95.2Very high3 Ų350.5 Ų50.53%0.02523%0.228CC..EExtended strand (participates in β ladder)trans-59.9140.1175.200000110.9K114 D138 L143K114-A135 HydrophobicContact CB-CB 4.43Å; K114-A135 WeakPolarHBondContact O-CB 3.19Å; K114-A135 PolarHBondContact O-N 3.01Å; A135-D138 HydrophobicContact CB-CB 4.25Å; A135-D138 VanDerWaalsContact CB-O 3.27Å; A135-D138 WeakPolarHBondContact CB-O 3.43Å; A135-L143 HydrophobicContact CB-CD1 4.18Å; A135-L143 HydrophobicContact CB-CD2 4.36Å
136L95.4Very high95.5Very high65 Ų6547.1 Ų47.134%0.3421%0.208SC..SBendtrans-85.8-58.2178.2-70.2168.6000110.5A40 R42 K74 K114A40-L136 HydrophobicContact CB-CB 4.41Å; A40-L136 HydrophobicContact CB-CD1 4.11Å; A40-L136 WeakPolarHBondContact O-CB 3.44Å; A40-L136 PolarHBondContact O-N 2.79Å; R42-L136 HydrophobicContact CG-CD2 3.74Å; R42-L136 HydrophobicContact CG-CG 4.29Å; K74-L136 HydrophobicContact CD-CD1 4.45Å; K74-L136 HydrophobicContact CG-CD1 4Å; K114-L136 PolarHBondContact NZ-O 3.13Å
137K91.7Very high95.8Very high172 Ų17237.8 Ų37.875%0.74817%0.172SC*.SBendtrans-85.6-53179.7-63.5-177.9178.6-178.30110.6K114K114-K137 PolarHBondContact NZ-O 2.77Å
138D93.6Very high95.8Very high21 Ų2133.1 Ų33.111%0.11216%0.164CC..SBendtrans-82177.9-166.3-50.6-77.9000115.2K114 A135 R142 L143K114-D138 VanDerWaalsContact CE-O 3.31Å; K114-D138 WeakPolarHBondContact CE-O 3.41Å; K114-D138 WeakPolarHBondContact CG-O 3.48Å; A135-D138 HydrophobicContact CB-CB 4.25Å; A135-D138 VanDerWaalsContact CB-O 3.27Å; A135-D138 WeakPolarHBondContact CB-O 3.43Å; D138-R142 IonicContact OD1-CZ 2.86Å; D138-R142 IonicContact OD1-NH1 3.52Å; D138-R142 PolarHBondContact OD1-NH1 3.36Å; D138-L143 HydrophobicContact CB-CD1 3.89Å
139S94.7Very high95.7Very high21 Ų2131.2 Ų31.215%0.14716%0.159CC..  trans-92.8155.1165.664.10000111.4D113 E141 R142 L143D113-S139 CarbonylContact O-C 3.55Å; D113-S139 WeakPolarHBondContact O-CA 3.21Å; D113-S139 WeakPolarHBondContact O-CB 3.12Å; S139-E141 PolarHBondContact O-N 2.81Å; S139-R142 PolarHBondContact O-N 2.84Å; S139-R142 PolarHBondContact OG-N 3.05Å; S139-L143 WeakPolarHBondContact O-CD1 3.37Å; S139-L143 PolarHBondContact O-N 3.05Å
140G94.4Very high95.8Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-63.4-26.4173.300000112.9D113 L143 S144D113-G140 PolarHBondContact O-N 2.88Å; G140-L143 PolarHBondContact O-N 3.25Å; G140-S144 WeakPolarHBondContact O-CB 3.43Å; G140-S144 PolarHBondContact O-N 3.44Å; G140-S144 PolarHBondContact O-OG 3.12Å
141E94.9Very high95.7Very high128 Ų12831.6 Ų31.660%0.59816%0.16SC*.Hα-helixtrans-62.8-45.4172.7-59.9179.3132.300112P108 S139 L143 S144 H145P108-E141 HydrophobicContact CB-CG 4.21Å; P108-E141 HydrophobicContact CG-CG 4.46Å; S139-E141 PolarHBondContact O-N 2.81Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.34Å; E141-S144 WeakPolarHBondContact O-CB 3.36Å; E141-S144 PolarHBondContact O-N 2.98Å; E141-S144 VanDerWaalsContact O-N 3.14Å; E141-H145 PolarHBondContact O-N 3.45Å
142R94.8Very high95.6Very high33 Ų3333.8 Ų33.813%0.12518%0.181CC..Hα-helixtrans-61.9-41.9177.8-173.8-177.2173.9-148-3.7111.5A19 D28 F39 D138 S139 H145 A146A19-R142 HydrophobicContact CB-CB 4.5Å; D28-R142 IonicContact OD1-CZ 2.73Å; D28-R142 IonicContact OD1-NE 2.81Å; D28-R142 IonicContact OD1-NH2 3.49Å; D28-R142 PolarHBondContact OD1-NH2 2.68Å; D28-R142 IonicContact OD2-CZ 3.36Å; D28-R142 VanDerWaalsContact OD2-CZ 3.24Å; D28-R142 IonicContact OD2-NE 3.7Å; D28-R142 PolarHBondContact OD2-NE 3.06Å; D28-R142 IonicContact OD2-NH2 3.6Å; D28-R142 PolarHBondContact OD2-NH2 3.14Å; F39-R142 HydrophobicContact CE1-CG 4.04Å; D138-R142 IonicContact OD1-CZ 2.86Å; D138-R142 IonicContact OD1-NH1 3.52Å; D138-R142 PolarHBondContact OD1-NH1 3.36Å; S139-R142 PolarHBondContact O-N 2.84Å; S139-R142 PolarHBondContact OG-N 3.05Å; R142-H145 PolarHBondContact O-N 2.99Å; R142-A146 PolarHBondContact O-N 3.17Å; R142-A146 VanDerWaalsContact O-N 3.09Å
143L95.9Very high95.5Very high0 Ų034 Ų340%018%0.183CC..Hα-helixtrans-63.2-43173.9-85.366.5000111.2F39 V41 L77 F116 A135 D138 S139 G140 E141 H145 A146 V147F39-L143 HydrophobicContact CB-CD1 3.98Å; F39-L143 HydrophobicContact CB-CD2 4.35Å; F39-L143 HydrophobicContact CB-CG 4.09Å; F39-L143 HydrophobicContact CD1-CD1 3.49Å; F39-L143 VanDerWaalsContact CD1-CD1 3.49Å; F39-L143 HydrophobicContact CD1-CG 4.11Å; F39-L143 HydrophobicContact CD2-CD1 4.28Å; F39-L143 HydrophobicContact CD2-CG 3.97Å; F39-L143 HydrophobicContact CE1-CD1 4Å; F39-L143 HydrophobicContact CE2-CG 4.45Å; F39-L143 HydrophobicContact CG-CD1 3.64Å; F39-L143 HydrophobicContact CG-CG 3.78Å; V41-L143 HydrophobicContact CG1-CD2 3.79Å; L77-L143 HydrophobicContact CD2-CD2 4.14Å; F116-L143 HydrophobicContact CB-CB 4.08Å; F116-L143 HydrophobicContact CB-CD2 3.91Å; F116-L143 HydrophobicContact CD1-CB 3.99Å; F116-L143 HydrophobicContact CD1-CD2 3.94Å; F116-L143 HydrophobicContact CD2-CB 4.11Å; F116-L143 HydrophobicContact CG-CB 3.76Å; F116-L143 HydrophobicContact CG-CD2 4.1Å; A135-L143 HydrophobicContact CB-CD1 4.18Å; A135-L143 HydrophobicContact CB-CD2 4.36Å; D138-L143 HydrophobicContact CB-CD1 3.89Å; S139-L143 WeakPolarHBondContact O-CD1 3.37Å; S139-L143 PolarHBondContact O-N 3.05Å; G140-L143 PolarHBondContact O-N 3.25Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.34Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-H145 PolarHBondContact O-N 2.93Å; L143-A146 PolarHBondContact O-N 2.92Å; L143-V147 WeakPolarHBondContact O-CG2 2.8Å; L143-V147 PolarHBondContact O-N 2.95Å
144S96.1Very high95.3Very high17 Ų1734.9 Ų34.912%0.11919%0.188CC..Hα-helixtrans-62.1-40.7177.3-56.10000112.1P108 F116 G140 E141 G148P108-S144 VanDerWaalsContact CD-OG 3.28Å; P108-S144 WeakPolarHBondContact CD-OG 3.23Å; P108-S144 VanDerWaalsContact N-OG 3.13Å; F116-S144 VanDerWaalsContact CD2-OG 3.22Å; F116-S144 WeakPolarHBondContact CD2-OG 3.48Å; F116-S144 WeakPolarHBondContact CE2-OG 3.42Å; G140-S144 WeakPolarHBondContact O-CB 3.43Å; G140-S144 PolarHBondContact O-N 3.44Å; G140-S144 PolarHBondContact O-OG 3.12Å; E141-S144 WeakPolarHBondContact O-CB 3.36Å; E141-S144 PolarHBondContact O-N 2.98Å; E141-S144 VanDerWaalsContact O-N 3.14Å; S144-G148 PolarHBondContact O-N 3.37Å
145H95.1Very high95.1Very high67 Ų6738.3 Ų38.331%0.3121%0.207SC..Hα-helixtrans-61.2-52.8175-175-87.6000111E141 R142 L143 V147 G148 C149E141-H145 PolarHBondContact O-N 3.45Å; R142-H145 PolarHBondContact O-N 2.99Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-H145 PolarHBondContact O-N 2.93Å; H145-V147 VanDerWaalsContact C-N 3.32Å; H145-V147 PolarHBondContact O-N 3.43Å; H145-G148 CarbonylContact O-C 3.5Å; H145-G148 WeakPolarHBondContact O-CA 3.26Å; H145-G148 PolarHBondContact O-N 2.93Å; H145-C149 PolarHBondContact CE1-SG 3.04Å; H145-C149 PolarHBondContact O-N 3.45Å; H145-C149 PolarHBondContact O-SG 2.99Å
146A96.6Very high94.8Very high0 Ų044.3 Ų44.30%023%0.234CC..Hα-helixtrans-60.5-38.3-179.800000113.1V32 F39 V79 R142 L143 C149 A150V32-A146 HydrophobicContact CG2-CB 4.14Å; F39-A146 HydrophobicContact CE2-CB 3.61Å; F39-A146 HydrophobicContact CZ-CB 3.61Å; V79-A146 HydrophobicContact CG1-CB 4.44Å; R142-A146 PolarHBondContact O-N 3.17Å; R142-A146 VanDerWaalsContact O-N 3.09Å; L143-A146 PolarHBondContact O-N 2.92Å; A146-C149 WeakPolarHBondContact O-CB 3.43Å; A146-C149 PolarHBondContact O-N 3.26Å; A146-A150 PolarHBondContact O-N 3.42Å
147V97Very high94.6Very high0 Ų046.3 Ų46.30%024%0.238CC..Hα-helixtrans-69.6-34.9173.3176.10000111.3V79 L84 C106 F116 L143 H145 A150 F151V79-V147 HydrophobicContact CG1-CG2 3.97Å; V79-V147 HydrophobicContact CG2-CG2 4.04Å; L84-V147 HydrophobicContact CD1-CG1 4.14Å; L84-V147 HydrophobicContact CD1-CG2 4.37Å; L84-V147 HydrophobicContact CD2-CG1 4.27Å; L84-V147 HydrophobicContact CD2-CG2 3.79Å; C106-V147 HydrophobicContact CB-CG1 4.11Å; F116-V147 HydrophobicContact CE1-CG2 4.05Å; F116-V147 HydrophobicContact CZ-CB 4.06Å; F116-V147 HydrophobicContact CZ-CG1 4.3Å; F116-V147 HydrophobicContact CZ-CG2 3.72Å; L143-V147 WeakPolarHBondContact O-CG2 2.8Å; L143-V147 PolarHBondContact O-N 2.95Å; H145-V147 VanDerWaalsContact C-N 3.32Å; H145-V147 PolarHBondContact O-N 3.43Å; V147-A150 WeakPolarHBondContact O-CB 3.37Å; V147-A150 PolarHBondContact O-N 3.45Å; V147-F151 HydrophobicContact CG1-CD2 3.94Å; V147-F151 HydrophobicContact CG1-CE2 3.8Å; V147-F151 VanDerWaalsContact O-CD2 3.26Å; V147-F151 WeakPolarHBondContact O-CD2 3.4Å; V147-F151 PolarHBondContact O-N 3.14Å
148G95.9Very high94.4Very high31 Ų3142.1 Ų42.132%0.3222%0.219SC..Hα-helixtrans-59.7-41.8168.500000113.2S144 H145 A150 F151 A152S144-G148 PolarHBondContact O-N 3.37Å; H145-G148 CarbonylContact O-C 3.5Å; H145-G148 WeakPolarHBondContact O-CA 3.26Å; H145-G148 PolarHBondContact O-N 2.93Å; G148-A150 VanDerWaalsContact C-N 3.34Å; G148-A150 PolarHBondContact O-N 2.97Å; G148-F151 WeakPolarHBondContact O-CB 3.41Å; G148-F151 PolarHBondContact O-N 3.44Å; G148-A152 WeakPolarHBondContact O-CB 3.46Å; G148-A152 PolarHBondContact O-N 2.96Å
149C95.9Very high94.3Very high17 Ų1746.1 Ų46.112%0.11524%0.237CC..Hα-helixtrans-61.9-40.9172.9-56.30000111.7E29 V32 H145 A146 A152 A153E29-C149 HydrophobicContact CB-CB 4.5Å; E29-C149 HydrophobicContact CG-CB 4.03Å; V32-C149 HydrophobicContact CG1-CB 4.35Å; H145-C149 PolarHBondContact CE1-SG 3.04Å; H145-C149 PolarHBondContact O-N 3.45Å; H145-C149 PolarHBondContact O-SG 2.99Å; A146-C149 WeakPolarHBondContact O-CB 3.43Å; A146-C149 PolarHBondContact O-N 3.26Å; C149-A152 PolarHBondContact O-N 3.29Å; C149-A153 VanDerWaalsContact O-CB 3.31Å; C149-A153 WeakPolarHBondContact O-CB 3.31Å; C149-A153 PolarHBondContact O-N 3.38Å
150A96.9Very high94.1Very high0 Ų052.6 Ų52.60%026%0.258CS..Hα-helixtrans-63.5-44.7175.700000111.6V32 V79 S80 I100 A146 V147 G148 A153 C154V32-A150 HydrophobicContact CG1-CB 3.72Å; V79-A150 HydrophobicContact CG1-CB 3.93Å; S80-A150 WeakPolarHBondContact O-CB 3.41Å; I100-A150 HydrophobicContact CD1-CB 3.87Å; I100-A150 HydrophobicContact CG1-CB 4.42Å; A146-A150 PolarHBondContact O-N 3.42Å; V147-A150 WeakPolarHBondContact O-CB 3.37Å; V147-A150 PolarHBondContact O-N 3.45Å; G148-A150 VanDerWaalsContact C-N 3.34Å; G148-A150 PolarHBondContact O-N 2.97Å; A150-A153 PolarHBondContact O-N 3.42Å; A150-C154 VanDerWaalsContact O-CB 3.23Å; A150-C154 WeakPolarHBondContact O-CB 3.37Å; A150-C154 PolarHBondContact O-N 2.86Å
151F96.3Very high93.7Very high38 Ų3859.3 Ų59.317%0.16728%0.284CS..Hα-helixtrans-58.2-51.3173.3-85.5-59.6000112.5I100 V103 C106 V147 G148 A153 C154 L155I100-F151 HydrophobicContact CG2-CD1 3.61Å; I100-F151 HydrophobicContact CG2-CE1 3.95Å; I100-F151 HydrophobicContact CG2-CG 4.35Å; V103-F151 HydrophobicContact CB-CE1 3.95Å; V103-F151 HydrophobicContact CB-CZ 3.56Å; V103-F151 HydrophobicContact CG1-CE1 4.44Å; V103-F151 HydrophobicContact CG1-CE2 4.3Å; V103-F151 HydrophobicContact CG1-CZ 3.57Å; V103-F151 VanDerWaalsContact O-CE1 3.25Å; V103-F151 WeakPolarHBondContact O-CE1 3.32Å; C106-F151 HydrophobicContact CB-CE2 4.23Å; V147-F151 HydrophobicContact CG1-CD2 3.94Å; V147-F151 HydrophobicContact CG1-CE2 3.8Å; V147-F151 VanDerWaalsContact O-CD2 3.26Å; V147-F151 WeakPolarHBondContact O-CD2 3.4Å; V147-F151 PolarHBondContact O-N 3.14Å; G148-F151 WeakPolarHBondContact O-CB 3.41Å; G148-F151 PolarHBondContact O-N 3.44Å; F151-A153 VanDerWaalsContact C-N 3.34Å; F151-A153 PolarHBondContact O-N 3.47Å; F151-C154 PolarHBondContact O-N 3.22Å; F151-L155 WeakPolarHBondContact O-CB 3.22Å; F151-L155 VanDerWaalsContact O-CG 3.31Å; F151-L155 WeakPolarHBondContact O-CG 3.28Å; F151-L155 PolarHBondContact O-N 3.23Å
152A95Very high93.2Very high59 Ų5958.8 Ų58.849%0.48828%0.281SS..Hα-helixtrans-58.3-48.1-179.400000110.9G148 C149 C154 L155 E156G148-A152 WeakPolarHBondContact O-CB 3.46Å; G148-A152 PolarHBondContact O-N 2.96Å; C149-A152 PolarHBondContact O-N 3.29Å; A152-C154 VanDerWaalsContact C-N 3.33Å; A152-C154 PolarHBondContact O-N 2.93Å; A152-L155 PolarHBondContact O-N 3.07Å; A152-E156 VanDerWaalsContact O-CB 3.29Å; A152-E156 WeakPolarHBondContact O-CB 3.38Å; A152-E156 PolarHBondContact O-N 3.4Å
153A94.1Very high92.7Very high4 Ų464.1 Ų64.13%0.03331%0.305CS..Hα-helixtrans-71-24.2-179.900000113.6A81 C149 A150 F151 R157A81-A153 HydrophobicContact CB-CB 4.23Å; C149-A153 VanDerWaalsContact O-CB 3.31Å; C149-A153 WeakPolarHBondContact O-CB 3.31Å; C149-A153 PolarHBondContact O-N 3.38Å; A150-A153 PolarHBondContact O-N 3.42Å; F151-A153 VanDerWaalsContact C-N 3.34Å; F151-A153 PolarHBondContact O-N 3.47Å; A153-R157 VanDerWaalsContact O-CG 3.3Å; A153-R157 WeakPolarHBondContact O-CG 3.3Å; A153-R157 PolarHBondContact O-N 3.09Å; A153-R157 PolarHBondContact O-NH1 3.48Å
154C93.9Very high91.7Very high18 Ų1869.7 Ų69.712%0.12233%0.332CS..Hα-helixtrans-74.9-47170.8-176.30000111.1A81 I100 A150 F151 A152 R157 K158A81-C154 WeakPolarHBondContact O-CB 3.25Å; I100-C154 HydrophobicContact CB-CB 4.37Å; I100-C154 HydrophobicContact CG2-CB 3.67Å; A150-C154 VanDerWaalsContact O-CB 3.23Å; A150-C154 WeakPolarHBondContact O-CB 3.37Å; A150-C154 PolarHBondContact O-N 2.86Å; F151-C154 PolarHBondContact O-N 3.22Å; A152-C154 VanDerWaalsContact C-N 3.33Å; A152-C154 PolarHBondContact O-N 2.93Å; C154-R157 PolarHBondContact O-N 3.39Å; C154-K158 WeakPolarHBondContact O-CB 3.43Å; C154-K158 PolarHBondContact O-N 3.38Å
155L91.5Very high90.1Very high110 Ų11072.5 Ų72.558%0.57635%0.35SS*.Hα-helixtrans-65.4-38.2178.7-71.2171.3000112F151 A152 K158 Q159F151-L155 WeakPolarHBondContact O-CB 3.22Å; F151-L155 VanDerWaalsContact O-CG 3.31Å; F151-L155 WeakPolarHBondContact O-CG 3.28Å; F151-L155 PolarHBondContact O-N 3.23Å; A152-L155 PolarHBondContact O-N 3.07Å; L155-K158 PolarHBondContact O-N 2.82Å; L155-Q159 VanDerWaalsContact O-CB 3.32Å; L155-Q159 WeakPolarHBondContact O-CB 3.41Å; L155-Q159 PolarHBondContact O-N 3Å
156E91.8Very high88.5Confident129 Ų12971.3 Ų71.360%0.60336%0.356SS*.Hα-helixtrans-59.4-53.1172.8-174-165164.100110.9A152 K158 Q159 R160A152-E156 VanDerWaalsContact O-CB 3.29Å; A152-E156 WeakPolarHBondContact O-CB 3.38Å; A152-E156 PolarHBondContact O-N 3.4Å; E156-K158 VanDerWaalsContact C-N 3.31Å; E156-K158 PolarHBondContact O-N 3.19Å; E156-Q159 PolarHBondContact O-N 3.12Å; E156-R160 WeakPolarHBondContact O-CB 3.33Å; E156-R160 PolarHBondContact O-N 3.2Å
157R89.5Confident86.6Confident108 Ų10873.3 Ų73.341%0.40837%0.368SS..Hα-helixtrans-60-40176.9-75178.8-176.691.7-14.9112.3A81 A153 C154 R161A81-R157 VanDerWaalsContact CB-NH1 3.35Å; A153-R157 VanDerWaalsContact O-CG 3.3Å; A153-R157 WeakPolarHBondContact O-CG 3.3Å; A153-R157 PolarHBondContact O-N 3.09Å; A153-R157 PolarHBondContact O-NH1 3.48Å; C154-R157 PolarHBondContact O-N 3.39Å; R157-R161 WeakPolarHBondContact O-CB 3.5Å; R157-R161 PolarHBondContact O-N 2.88Å
158K88.9Confident84.9Confident84 Ų8477.5 Ų77.537%0.36539%0.394SS..Hα-helixtrans-65.3-52.3176.8177.9177.5168.4178.50111.3C154 L155 E156 R160 R161 E162C154-K158 WeakPolarHBondContact O-CB 3.43Å; C154-K158 PolarHBondContact O-N 3.38Å; L155-K158 PolarHBondContact O-N 2.82Å; E156-K158 VanDerWaalsContact C-N 3.31Å; E156-K158 PolarHBondContact O-N 3.19Å; K158-R160 VanDerWaalsContact C-N 3.3Å; K158-R160 PolarHBondContact O-N 2.79Å; K158-R161 CarbonylContact O-C 3.55Å; K158-R161 WeakPolarHBondContact O-CA 3.48Å; K158-R161 WeakPolarHBondContact O-CB 3.32Å; K158-R161 PolarHBondContact O-N 2.68Å; K158-R161 VanDerWaalsContact O-N 3.1Å; K158-E162 VanDerWaalsContact CE-CD 3.5Å; K158-E162 WeakPolarHBondContact CE-OE1 3.35Å; K158-E162 HydrophobicContact CG-CG 4.44Å; K158-E162 IonicContact NZ-OE1 3.15Å; K158-E162 WeakPolarHBondContact O-CG 3.34Å; K158-E162 PolarHBondContact O-N 2.92Å
159Q90.9Very high83.4Confident105 Ų10578.7 Ų78.749%0.49140%0.401SS..Hα-helixtrans-64.9-36-179.5-168.6-16995.800111.4L155 E156 E162 K163L155-Q159 VanDerWaalsContact O-CB 3.32Å; L155-Q159 WeakPolarHBondContact O-CB 3.41Å; L155-Q159 PolarHBondContact O-N 3Å; E156-Q159 PolarHBondContact O-N 3.12Å; Q159-E162 PolarHBondContact O-N 2.67Å; Q159-K163 HydrophobicContact CG-CD 4.29Å; Q159-K163 WeakPolarHBondContact O-CB 3.41Å; Q159-K163 VanDerWaalsContact O-CG 3.3Å; Q159-K163 WeakPolarHBondContact O-CG 3.34Å; Q159-K163 PolarHBondContact O-N 3.38Å
160R90Very high82Confident156 Ų15680.4 Ų80.459%0.58941%0.413SS*.Hα-helixtrans-59.3-49.3170.5178.8176.3175.5160.310.8110.8E156 K158 E162 K163 E164E156-R160 WeakPolarHBondContact O-CB 3.33Å; E156-R160 PolarHBondContact O-N 3.2Å; K158-R160 VanDerWaalsContact C-N 3.3Å; K158-R160 PolarHBondContact O-N 2.79Å; R160-E162 VanDerWaalsContact C-N 3.34Å; R160-E162 PolarHBondContact O-N 3.39Å; R160-K163 PolarHBondContact O-N 2.89Å; R160-E164 HydrophobicContact CG-CG 4.3Å; R160-E164 WeakPolarHBondContact CG-OE2 3.45Å; R160-E164 IonicContact CZ-OE1 2.69Å; R160-E164 VanDerWaalsContact NE-CD 3.28Å; R160-E164 IonicContact NE-OE1 2.72Å; R160-E164 PolarHBondContact NE-OE1 2.88Å; R160-E164 IonicContact NE-OE2 3.15Å; R160-E164 PolarHBondContact NE-OE2 3.49Å; R160-E164 VanDerWaalsContact NE-OE2 3.15Å; R160-E164 IonicContact NH2-OE1 2.83Å; R160-E164 PolarHBondContact NH2-OE1 3.16Å; R160-E164 IonicContact NH2-OE2 2.65Å; R160-E164 WeakPolarHBondContact O-CB 3.36Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 3.41Å
161R87.8Confident80.8Confident142 Ų14285.7 Ų85.754%0.53644%0.436SS..Hα-helixtrans-61.2-39175.1-169.2-169.8-61.8141.5-0.7112.3R157 K158 K163 E164 C165R157-R161 WeakPolarHBondContact O-CB 3.5Å; R157-R161 PolarHBondContact O-N 2.88Å; K158-R161 CarbonylContact O-C 3.55Å; K158-R161 WeakPolarHBondContact O-CA 3.48Å; K158-R161 WeakPolarHBondContact O-CB 3.32Å; K158-R161 PolarHBondContact O-N 2.68Å; K158-R161 VanDerWaalsContact O-N 3.1Å; R161-K163 VanDerWaalsContact C-N 3.34Å; R161-E164 PolarHBondContact O-N 3.2Å; R161-C165 WeakPolarHBondContact O-CA 3.5Å; R161-C165 WeakPolarHBondContact O-CB 3.38Å; R161-C165 PolarHBondContact O-N 3.05Å; R161-C165 PolarHBondContact O-SG 3.49Å; R161-C165 VanDerWaalsContact O-SG 3.39Å
162E82.9Confident79.7Confident116 Ų11685.9 Ų85.954%0.54244%0.439SS..Hα-helixtrans-68-33177.3-72.8171.1157.400112.4K158 Q159 R160 G166K158-E162 VanDerWaalsContact CE-CD 3.5Å; K158-E162 WeakPolarHBondContact CE-OE1 3.35Å; K158-E162 HydrophobicContact CG-CG 4.44Å; K158-E162 IonicContact NZ-OE1 3.15Å; K158-E162 WeakPolarHBondContact O-CG 3.34Å; K158-E162 PolarHBondContact O-N 2.92Å; Q159-E162 PolarHBondContact O-N 2.67Å; R160-E162 VanDerWaalsContact C-N 3.34Å; R160-E162 PolarHBondContact O-N 3.39Å; E162-G166 PolarHBondContact O-N 3.22Å
163K85Confident78.9Confident145 Ų14586.6 Ų86.663%0.6345%0.445SS*.Hα-helixtrans-72.9-46.1171.8-72.9166170.1174.30112.4Q159 R160 R161 G166Q159-K163 HydrophobicContact CG-CD 4.29Å; Q159-K163 WeakPolarHBondContact O-CB 3.41Å; Q159-K163 VanDerWaalsContact O-CG 3.3Å; Q159-K163 WeakPolarHBondContact O-CG 3.34Å; Q159-K163 PolarHBondContact O-N 3.38Å; R160-K163 PolarHBondContact O-N 2.89Å; R161-K163 VanDerWaalsContact C-N 3.34Å; K163-G166 PolarHBondContact O-N 3.33Å
164E74.9Confident78.3Confident118 Ų11891.5 Ų91.555%0.55148%0.479SS*.Hα-helixtrans-76.4-26.2-177.8-69.7175158.700113.1R160 R161R160-E164 HydrophobicContact CG-CG 4.3Å; R160-E164 WeakPolarHBondContact CG-OE2 3.45Å; R160-E164 IonicContact CZ-OE1 2.69Å; R160-E164 VanDerWaalsContact NE-CD 3.28Å; R160-E164 IonicContact NE-OE1 2.72Å; R160-E164 PolarHBondContact NE-OE1 2.88Å; R160-E164 IonicContact NE-OE2 3.15Å; R160-E164 PolarHBondContact NE-OE2 3.49Å; R160-E164 VanDerWaalsContact NE-OE2 3.15Å; R160-E164 IonicContact NH2-OE1 2.83Å; R160-E164 PolarHBondContact NH2-OE1 3.16Å; R160-E164 IonicContact NH2-OE2 2.65Å; R160-E164 WeakPolarHBondContact O-CB 3.36Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 3.41Å; R161-E164 PolarHBondContact O-N 3.2Å
165C61.5Low77.5Confident76 Ų7699.3 Ų99.351%0.51451%0.506SS..THydrogen-bonded Turntrans-96.518.8170.4-580000112.7R161 V167R161-C165 WeakPolarHBondContact O-CA 3.5Å; R161-C165 WeakPolarHBondContact O-CB 3.38Å; R161-C165 PolarHBondContact O-N 3.05Å; R161-C165 PolarHBondContact O-SG 3.49Å; R161-C165 VanDerWaalsContact O-SG 3.39Å; C165-V167 PolarHBondContact O-N 3.09Å
166G61.9Low76.9Confident42 Ų4299.8 Ų99.843%0.43351%0.514SS..  trans-68.977.5170.500000111.3E162 K163 T168E162-G166 PolarHBondContact O-N 3.22Å; K163-G166 PolarHBondContact O-N 3.33Å; G166-T168 PolarHBondContact O-N 3.41Å
167V57.7Low75.8Confident42 Ų4295.9 Ų95.926%0.25550%0.501SS..  trans-66.699.5-177.61740000110.4C165 A169 R180 F184C165-V167 PolarHBondContact O-N 3.09Å; V167-A169 PolarHBondContact O-N 3.33Å; V167-R180 HydrophobicContact CG1-CB 4.05Å; V167-R180 HydrophobicContact CG1-CG 3.8Å; V167-F184 HydrophobicContact CB-CE2 4.38Å; V167-F184 HydrophobicContact CG1-CE2 4.2Å; V167-F184 HydrophobicContact CG2-CD2 3.99Å; V167-F184 HydrophobicContact CG2-CE2 3.74Å; V167-F184 HydrophobicContact CG2-CZ 4.22Å
168T61.4Low75Confident88 Ų8897.9 Ų97.954%0.5451%0.512SS..EExtended strand (participates in β ladder)trans-79106.7176.543.20000110.1G166 S170 E181G166-T168 PolarHBondContact O-N 3.41Å; T168-S170 PolarHBondContact O-N 3.01Å; T168-E181 PolarHBondContact N-O 2.79Å; T168-E181 PolarHBondContact O-N 3.43Å; T168-E181 PolarHBondContact OG1-O 2.81Å
169A63.4Low74.3Confident56 Ų5696.8 Ų96.846%0.46351%0.513SS..EExtended strand (participates in β ladder)trans-79.491.7166.600000109.3V167 V179 R180V167-A169 PolarHBondContact O-N 3.33Å; A169-V179 CarbonylContact C-O 3.55Å; A169-V179 WeakPolarHBondContact CA-O 3.39Å; A169-R180 HydrophobicContact CB-CG 4.26Å
170S67.3Low73.2Confident53 Ų53100.4 Ų100.437%0.37152%0.522SS..EExtended strand (participates in β ladder)trans-77137.8171.250.20000109.7T168 F178 V179T168-S170 PolarHBondContact O-N 3.01Å; S170-F178 CarbonylContact O-C 3.51Å; S170-F178 WeakPolarHBondContact O-CA 3.29Å; S170-V179 PolarHBondContact N-O 2.84Å; S170-V179 PolarHBondContact O-N 3.34Å; S170-V179 PolarHBondContact OG-O 2.94Å
171F71.1Confident72.2Confident110 Ų11099.3 Ų99.348%0.48252%0.523SS..EExtended strand (participates in β ladder)trans-88.3109.5171.6-179.4-104.4000109A173 F178F171-A173 HydrophobicContact CD1-CB 4.27Å; F171-A173 HydrophobicContact CE1-CB 4.07Å; F171-A173 PolarHBondContact O-N 3.33Å; F171-F178 HydrophobicContact CB-CD1 4.07Å; F171-F178 HydrophobicContact CB-CE1 3.89Å; F171-F178 HydrophobicContact CD2-CD1 4.04Å; F171-F178 HydrophobicContact CD2-CD2 4.08Å; F171-F178 AromaticContact CD2-CE1 3.82Å; F171-F178 HydrophobicContact CD2-CE1 3.82Å; F171-F178 AromaticContact CD2-CE2 3.85Å; F171-F178 HydrophobicContact CD2-CE2 3.85Å; F171-F178 HydrophobicContact CD2-CG 4.17Å; F171-F178 AromaticContact CD2-CZ 3.71Å; F171-F178 HydrophobicContact CD2-CZ 3.71Å; F171-F178 HydrophobicContact CE2-CE2 4.22Å; F171-F178 HydrophobicContact CE2-CZ 4.37Å; F171-F178 HydrophobicContact CG-CE1 4.24Å; F171-F178 HydrophobicContact CG-CZ 4.44Å
172D73.4Confident71Confident42 Ų4294.3 Ų94.323%0.22552%0.516CS..EExtended strand (participates in β ladder)trans-7897.6171.9-178.3-9.8000108.9S174 R175 T176 S177 V179D172-S174 PolarHBondContact O-N 2.99Å; D172-S174 WeakPolarHBondContact OD1-CA 3.37Å; D172-S174 WeakPolarHBondContact OD1-CB 3.39Å; D172-S174 PolarHBondContact OD1-N 3.14Å; D172-S174 PolarHBondContact OD1-OG 2.9Å; D172-R175 HydrophobicContact CB-CB 4.41Å; D172-R175 CarbonylContact O-C 3.54Å; D172-R175 PolarHBondContact O-N 3.47Å; D172-R175 PolarHBondContact OD1-N 3.47Å; D172-R175 WeakPolarHBondContact OD2-CD 3.41Å; D172-R175 WeakPolarHBondContact OD2-CG 3.3Å; D172-T176 WeakPolarHBondContact O-CA 3.5Å; D172-T176 PolarHBondContact O-N 2.7Å; D172-S177 PolarHBondContact N-O 2.78Å; D172-S177 PolarHBondContact O-N 2.91Å; D172-V179 HydrophobicContact CB-CG2 3.92Å
173A78.2Confident70Confident75 Ų7592 Ų9262%0.6251%0.513SS*.THydrogen-bonded Turntrans-62.7-24.5177.700000113.2F171 R175F171-A173 HydrophobicContact CD1-CB 4.27Å; F171-A173 HydrophobicContact CE1-CB 4.07Å; F171-A173 PolarHBondContact O-N 3.33Å; A173-R175 VanDerWaalsContact C-N 3.33Å
174S80.8Confident68.4Low107 Ų10793.2 Ų93.275%0.74852%0.519SS*.THydrogen-bonded Turntrans-77.6-20.5178.176.50000113.1D172D172-S174 PolarHBondContact O-N 2.99Å; D172-S174 WeakPolarHBondContact OD1-CA 3.37Å; D172-S174 WeakPolarHBondContact OD1-CB 3.39Å; D172-S174 PolarHBondContact OD1-N 3.14Å; D172-S174 PolarHBondContact OD1-OG 2.9Å
175R77.9Confident67.3Low182 Ų18298.5 Ų98.569%0.68753%0.533SS*.THydrogen-bonded Turntrans-122.212-179.2-54.1178.987.2-1796.8113.1D172 A173 S177D172-R175 HydrophobicContact CB-CB 4.41Å; D172-R175 CarbonylContact O-C 3.54Å; D172-R175 PolarHBondContact O-N 3.47Å; D172-R175 PolarHBondContact OD1-N 3.47Å; D172-R175 WeakPolarHBondContact OD2-CD 3.41Å; D172-R175 WeakPolarHBondContact OD2-CG 3.3Å; A173-R175 VanDerWaalsContact C-N 3.33Å; R175-S177 WeakPolarHBondContact O-CB 3.39Å; R175-S177 PolarHBondContact O-N 3.44Å; R175-S177 PolarHBondContact O-OG 3.43Å
176T78.4Confident66.5Low120 Ų120101.2 Ų101.274%0.73654%0.541SS*.THydrogen-bonded Turntrans43.334.4-177.456.80000114.8D172D172-T176 WeakPolarHBondContact O-CA 3.5Å; D172-T176 PolarHBondContact O-N 2.7Å
177S68.7Low65.5Low47 Ų47105 Ų10533%0.32955%0.552SS.*EExtended strand (participates in β ladder)trans-136.3147.6-167.963.10000113.7D172 R175 V179D172-S177 PolarHBondContact N-O 2.78Å; D172-S177 PolarHBondContact O-N 2.91Å; R175-S177 WeakPolarHBondContact O-CB 3.39Å; R175-S177 PolarHBondContact O-N 3.44Å; R175-S177 PolarHBondContact O-OG 3.43Å; S177-V179 PolarHBondContact O-N 3.25Å
178F73.3Confident65.1Low149 Ų149108.3 Ų108.365%0.65458%0.577SS**EExtended strand (participates in β ladder)trans-84.3102.2174.7-69.8-85000110S170 F171S170-F178 CarbonylContact O-C 3.51Å; S170-F178 WeakPolarHBondContact O-CA 3.29Å; F171-F178 HydrophobicContact CB-CD1 4.07Å; F171-F178 HydrophobicContact CB-CE1 3.89Å; F171-F178 HydrophobicContact CD2-CD1 4.04Å; F171-F178 HydrophobicContact CD2-CD2 4.08Å; F171-F178 AromaticContact CD2-CE1 3.82Å; F171-F178 HydrophobicContact CD2-CE1 3.82Å; F171-F178 AromaticContact CD2-CE2 3.85Å; F171-F178 HydrophobicContact CD2-CE2 3.85Å; F171-F178 HydrophobicContact CD2-CG 4.17Å; F171-F178 AromaticContact CD2-CZ 3.71Å; F171-F178 HydrophobicContact CD2-CZ 3.71Å; F171-F178 HydrophobicContact CE2-CE2 4.22Å; F171-F178 HydrophobicContact CE2-CZ 4.37Å; F171-F178 HydrophobicContact CG-CE1 4.24Å; F171-F178 HydrophobicContact CG-CZ 4.44Å
179V73.6Confident64Low61 Ų61108.8 Ų108.837%0.3758%0.584SS.*EExtended strand (participates in β ladder)trans-80.7119.5172.2-178.10000107.9A169 S170 D172 S177 E181A169-V179 CarbonylContact C-O 3.55Å; A169-V179 WeakPolarHBondContact CA-O 3.39Å; S170-V179 PolarHBondContact N-O 2.84Å; S170-V179 PolarHBondContact O-N 3.34Å; S170-V179 PolarHBondContact OG-O 2.94Å; D172-V179 HydrophobicContact CB-CG2 3.92Å; S177-V179 PolarHBondContact O-N 3.25Å; V179-E181 PolarHBondContact O-N 3.35Å
180R68.9Low62.9Low181 Ų181110.8 Ų110.868%0.68359%0.594SS**EExtended strand (participates in β ladder)trans-82.3105.7166-84-174.3171.591.30.7108.8V167 A169V167-R180 HydrophobicContact CG1-CB 4.05Å; V167-R180 HydrophobicContact CG1-CG 3.8Å; A169-R180 HydrophobicContact CB-CG 4.26Å
181E67.6Low61.7Low133 Ų133113.5 Ų113.562%0.62161%0.613SS**EExtended strand (participates in β ladder)trans-88.8142.3161.5-163.8162.5-154.400109T168 V179T168-E181 PolarHBondContact N-O 2.79Å; T168-E181 PolarHBondContact O-N 3.43Å; T168-E181 PolarHBondContact OG1-O 2.81Å; V179-E181 PolarHBondContact O-N 3.35Å
182G63.8Low60.4Low38 Ų38117.4 Ų117.439%0.39263%0.633SS.*SBendtrans109.7123.2-169.100000112.8F184G182-F184 PolarHBondContact O-N 3.26Å
183S60.4Low59Low67 Ų67124.6 Ų124.647%0.46967%0.665SS.*  trans-88.9111.7-170.7-176.10000113R185S183-R185 PolarHBondContact O-N 2.98Å; S183-R185 VanDerWaalsContact O-N 3.09Å; S183-R185 PolarHBondContact OG-N 3.41Å; S183-R185 VanDerWaalsContact OG-N 3.12Å
184F52.2Low57Low171 Ų171125 Ų12575%0.7568%0.676SS**THydrogen-bonded Turntrans-66.94.4164.1-94.7-71.2000114V167 G182V167-F184 HydrophobicContact CB-CE2 4.38Å; V167-F184 HydrophobicContact CG1-CE2 4.2Å; V167-F184 HydrophobicContact CG2-CD2 3.99Å; V167-F184 HydrophobicContact CG2-CE2 3.74Å; V167-F184 HydrophobicContact CG2-CZ 4.22Å; G182-F184 PolarHBondContact O-N 3.26Å
185R52.6Low55Low228 Ų228125.2 Ų125.286%0.8668%0.678SS**THydrogen-bonded Turntrans-138.131.7-170.9-62.4-172.1-173.9-99.74.7115.1S183 N187S183-R185 PolarHBondContact O-N 2.98Å; S183-R185 VanDerWaalsContact O-N 3.09Å; S183-R185 PolarHBondContact OG-N 3.41Å; S183-R185 VanDerWaalsContact OG-N 3.12Å; R185-N187 PolarHBondContact O-N 2.78Å
186I43.8Very low53Low133 Ų133122.6 Ų122.668%0.68269%0.688SS**  trans-86.885.8160.8-59175.3000108.5
187N41.4Very low51Low123 Ų123122.7 Ų122.766%0.65869%0.694SS**  trans-78.2134.7155.4-176.382.9000107.6R185 S189R185-N187 PolarHBondContact O-N 2.78Å; N187-S189 PolarHBondContact ND2-OG 3.17Å; N187-S189 PolarHBondContact O-N 3.4Å
188S48.3Very low49.5Very low110 Ų110129.1 Ų129.177%0.76972%0.718SS**SBendtrans-74.956.7-164.3-47.60000115.2
189S39.9Very low47.9Very low99 Ų99133.5 Ų133.569%0.69273%0.73SS**SBendtrans-132.417.7-175.259.30000114.4N187N187-S189 PolarHBondContact ND2-OG 3.17Å; N187-S189 PolarHBondContact O-N 3.4Å
190S39.4Very low46Very low97 Ų97138.2 Ų138.268%0.67875%0.754SS**  trans-145.36.7178.764.90000115.3Q192S190-Q192 PolarHBondContact O-N 3.27Å
191S41.4Very low44.4Very low111 Ų111138.8 Ų138.878%0.77676%0.764SS**THydrogen-bonded Turntrans-80.142.3-176.262.10000113.7
192Q43.8Very low42.6Very low191 Ų191141 Ų14189%0.89377%0.772SS**THydrogen-bonded Turntrans-142.729.9178.8-139.4179.638.500114.2S190S190-Q192 PolarHBondContact O-N 3.27Å
193Q44.3Very low41.2Very low193 Ų193147.4 Ų147.490%0.90279%0.793SS**  trans-141.7108.7159.5-101.6177.3-10.800108.5
194G37.1Very low39.9Very low83 Ų83153.6 Ų153.686%0.85682%0.815SS**  trans171.627-172.700000116
195S38.9Very low38.9Very low113 Ų113151.1 Ų151.179%0.7981%0.81SS**  trans-132.673.1179.460.40000110.4
196S36.4Very low38Very low127 Ų127148.7 Ų148.789%0.88881%0.805SS**  trans-15883.5175.4-74.10000109.7
197S34.7Very low37.4Very low122 Ų122152 Ų15285%0.85381%0.814SS**  trans-142.639.5176.462.60000111.5
198E38.9Very low37Very low182 Ų182154.7 Ų154.785%0.8582%0.821SS**  trans-136.492.9171.5-79.5-167.382.800110
199R39Very low36Very low240 Ų240155.9 Ų155.991%0.90682%0.818SS**  trans157.193.5152.1-92.8-177.6-66.2160.6-1.3109.4
200D32.9Very low35.5Very low160 Ų160159.1 Ų159.186%0.85682%0.823SS**  trans-158.476.8146.3-137.6-52.6000111.6
201E35.4Very low35.7Very low194 Ų194159.1 Ų159.191%0.90782%0.82SS**  trans-153.985.5162.9-96.8-14087.800109.9
202K30.8Very low34.8Very low180 Ų180159.5 Ų159.578%0.78382%0.823SS**  trans-168.5139.9141.1-119.4-171.9176.6177.80115.6
203M34.6Very low33.9Very low171 Ų171154.8 Ų154.884%0.84282%0.817SS**  trans68.2105.3154.7-67.2-175.2163.100118.6
204Q31.9Very low33.4Very low197 Ų197152 Ų15292%0.92181%0.813SS**  trans-132.8109.4157.3177.9-171.7106.300108.2
205D31.1Very low33.3Very low120 Ų120153.8 Ų153.864%0.64281%0.809SS**  trans-163.9124.6157.7-167.6-136.7000113.2
206K34.1Very low32.7Very low177 Ų177152.4 Ų152.477%0.7780%0.804SS**  trans57.8153167.2-67.3165.7-166.774.70116.7
207K31Very low32.4Very low201 Ų201154.3 Ų154.387%0.87480%0.803SS**  cis-148.7129.722.3-172.3179.2175.3-176.10114
208K33.1Very low32.9Very low181 Ų181153.5 Ų153.579%0.78780%0.796SS**  trans-17142160177.9172.1175.2176.10121.7
209D28.2Very low32.9Very low134 Ų134150.9 Ų150.972%0.71779%0.794SS**  trans107.5154.2147.2-105.5-62.3000124.3
210Q28.2Very low32.3Very low168 Ų168143.2 Ų143.279%0.78579%0.79SS**  trans-87.8-171.3-167-90.9-125.486.800115.7
211P43Very low32.1Very low96 Ų96141.8 Ų141.862%0.62379%0.793SS**  cis-135-168.1-14.930-7.2000115.2
212S23.1Very low31.8Very low119 Ų119137 Ų13783%0.83279%0.786SS**  trans77.2151.9150-86.20000119.9
213A25.3Very low31.7Very low93 Ų93133.8 Ų133.877%0.76979%0.786SS**  cis-153.5172.2-4.900000112.3
214V33.8Very low32.4Very low135 Ų135131.3 Ų131.382%0.81878%0.783SS**  trans-110.3153.2176.7-145.90000111.2
215P35.1Very low33.4Very low120 Ų120126.8 Ų126.878%0.77977%0.771SS**  -141.8136.9112.624.6-4.5000113.3
216A25.1Very low33.2Very low83 Ų83130.2 Ų130.269%0.68678%0.783SS**  78.1144.277.400000114.7
217L30.5Very low32.8Very low167 Ų167125.2 Ų125.287%0.87478%0.782SS**  cis-162.5175.7-11.2-102.2173.2000108.6
218P46.3Very low32.7Very low106 Ų106122.4 Ų122.469%0.68878%0.782SS**  trans-102.1-168.1-16845.7-40.7000113.7
219P38.8Very low32.5Very low126 Ų126117.9 Ų117.982%0.81878%0.778SS**  -154.9170.375.241.9-21.5000118.8
220G26.3Very low32.7Very low80 Ų80117 Ų11783%0.82578%0.782SS**  trans84.5152.5157.300000117.6
221S28.2Very low32.9Very low130 Ų130117.3 Ų117.391%0.90978%0.784SS**  cis-152.6178.9-10.854.60000110.5
222A29.9Very low32.3Very low92 Ų92119.4 Ų119.476%0.7679%0.787SS**  trans-94.8127.9-156.400000118.4
223S27.8Very low32.6Very low113 Ų113121.1 Ų121.179%0.7978%0.782SS**  trans70.8-173.3138.2-41.70000118.3
224P49.4Very low33.3Very low119 Ų119126 Ų12677%0.77378%0.78SS**  -125.1-159.9-120.539-15.3000112.3
225P52.4Low33.6Very low102 Ų102125.9 Ų125.966%0.66278%0.782SS**  cis-136.7-153.61.136.1-10.8000114.9
226E27.5Very low33.7Very low193 Ų193125.2 Ų125.290%0.90277%0.769SS**  trans75.7156.9164.2-66.5-178.684.600120.3
227G26.6Very low34.6Very low72 Ų72127.6 Ų127.674%0.74278%0.777SS**  trans124.154.4153.200000122.5
228T27.9Very low34.6Very low142 Ų142123 Ų12387%0.87177%0.771SS**  trans48.8109.9136.2-50.60000123.1
229A28.6Very low34.7Very low86 Ų86119.9 Ų119.971%0.71176%0.758SS**  trans74.3127.7140.400000124.4
230S33.7Very low35.4Very low116 Ų116120.5 Ų120.581%0.81176%0.762SS**  trans54149.7140.9-55.80000120.7
231Q30.9Very low36.3Very low174 Ų174124.2 Ų124.281%0.81376%0.757SS**  cis-156.6156.55-147.7172.3-16.900106.4
232M31Very low37.4Very low139 Ų139122.6 Ų122.669%0.68575%0.751SS**  162.8176.571.7-175.147.8-167.400109.8
233E29.3Very low38.7Very low155 Ų155125.4 Ų125.472%0.72475%0.752SS**  trans85.6147.5165.3-68.7-48.4136.500122.4
234R39.3Very low40.3Very low196 Ų196125.5 Ų125.574%0.7475%0.75SS**  trans-160.2138.9-169.8155.5-179.8168.6-162.2-5.4111.6
235P39.8Very low40.8Very low133 Ų133130.8 Ų130.886%0.86476%0.755SS**  -127160.3120.30.221.5000114.3
236E38.3Very low41.2Very low105 Ų105138 Ų13849%0.49177%0.769SS.*  trans-116.9153.4-176.5-104.4-78.8134.100109.1G238E236-G238 PolarHBondContact OE2-N 3.33Å
237P43.7Very low42.9Very low133 Ų133137.3 Ų137.386%0.86477%0.765SS**  -152.4135.288.836.5-16.7000117.9
238G30.7Very low44.6Very low72 Ų72136.1 Ų136.174%0.74275%0.748SS**  126.865.111600000119E236E236-G238 PolarHBondContact OE2-N 3.33Å
239G47.8Very low46.5Very low40 Ų40133 Ų13341%0.41273%0.73SS.*  trans-161.4132.4163.300000113.6H241G239-H241 PolarHBondContact O-N 3.35Å; G239-H241 VanDerWaalsContact O-N 3.1Å; G239-H241 PolarHBondContact O-ND1 3.49Å
240P53.7Low48.1Very low139 Ų139135.4 Ų135.490%0.90373%0.73SS**  trans-69.7109.4-179.827.9-33.2000110.6A242P240-A242 PolarHBondContact O-N 2.9Å
241H46.1Very low49.7Very low157 Ų157137.6 Ų137.673%0.72773%0.727SS**  trans-69.3121.3-173.6-7443.7000112.2G239 I243G239-H241 PolarHBondContact O-N 3.35Å; G239-H241 VanDerWaalsContact O-N 3.1Å; G239-H241 PolarHBondContact O-ND1 3.49Å; H241-I243 PolarHBondContact O-N 3.42Å
242A50.7Low51.2Low96 Ų96136.4 Ų136.479%0.79372%0.722SS**  trans-72.4107.5164.200000109.3P240 P244P240-A242 PolarHBondContact O-N 2.9Å; A242-P244 VanDerWaalsContact O-CD 3.29Å; A242-P244 WeakPolarHBondContact O-CD 3.33Å
243I58.1Low52.7Low151 Ų151135.6 Ų135.677%0.77472%0.72SS**  trans-57.4121178.5-58.3173.6000109.2H241 R245H241-I243 PolarHBondContact O-N 3.42Å; I243-R245 PolarHBondContact O-N 3.12Å
244P60.3Low54Low116 Ų116133 Ų13375%0.75371%0.714SS**  trans-60.3112.4173.6-23.534.9000109.6A242 R246A242-P244 VanDerWaalsContact O-CD 3.29Å; A242-P244 WeakPolarHBondContact O-CD 3.33Å; P244-R246 PolarHBondContact O-N 3.1Å
245R61.3Low54.9Low230 Ų230135 Ų13587%0.86872%0.721SS**  trans-61.8122.1174.7-72-178.8176.6154.70.4107.9I243 H247I243-R245 PolarHBondContact O-N 3.12Å; R245-H247 PolarHBondContact O-N 3.07Å
246R60.5Low55.5Low252 Ų252137.2 Ų137.295%0.95172%0.72SS**  trans-57.5115.4171.7-69.9-170.7176.6-154.7-1.1108P244 A248P244-R246 PolarHBondContact O-N 3.1Å; R246-A248 PolarHBondContact O-N 3.42Å
247H62.8Low56.1Low180 Ų180135.3 Ų135.383%0.83373%0.729SS**PPolyproline II helixtrans-61.2132.3168.4-84.9-114.3000108R245R245-H247 PolarHBondContact O-N 3.07Å
248A63Low56.4Low46 Ų46133.9 Ų133.938%0.3872%0.722SS.*PPolyproline II helixtrans-62.2139.5171.300000109R246 Q252 L253R246-A248 PolarHBondContact O-N 3.42Å; A248-Q252 HydrophobicContact CB-CB 4.32Å; A248-L253 HydrophobicContact CB-CD1 3.82Å
249P67.1Low57.2Low76 Ų76139.2 Ų139.249%0.49473%0.725SS.*PPolyproline II helixtrans-56.5146.2176.924.6-34.2000110.1E251 Q252P249-E251 PolarHBondContact O-N 3.28Å; P249-Q252 HydrophobicContact CG-CG 4.18Å; P249-Q252 WeakPolarHBondContact O-CB 3.39Å; P249-Q252 PolarHBondContact O-N 3.13Å
250I62.6Low57.9Low137 Ų137148 Ų14870%0.70375%0.746SS**Hα-helixtrans-62.2-26.7-163.6-156.3163000113.2Q252 L253 V254I250-Q252 VanDerWaalsContact C-N 3.26Å; I250-Q252 PolarHBondContact O-N 3.31Å; I250-L253 CarbonylContact O-C 3.58Å; I250-L253 WeakPolarHBondContact O-CA 3.45Å; I250-L253 WeakPolarHBondContact O-CB 3.49Å; I250-L253 PolarHBondContact O-N 3.41Å; I250-V254 PolarHBondContact O-N 2.98Å
251E67.4Low57.7Low162 Ų162142.9 Ų142.976%0.75772%0.718SS**Hα-helixtrans-60.9-29.6173.3-60.6172.6136.400113.1P249P249-E251 PolarHBondContact O-N 3.28Å
252Q62.1Low58Low149 Ų149143.9 Ų143.970%0.69672%0.72SS**Hα-helixtrans-81.5-15.9172.2-68.2-173.3-30.500113.3A248 P249 I250A248-Q252 HydrophobicContact CB-CB 4.32Å; P249-Q252 HydrophobicContact CG-CG 4.18Å; P249-Q252 WeakPolarHBondContact O-CB 3.39Å; P249-Q252 PolarHBondContact O-N 3.13Å; I250-Q252 VanDerWaalsContact C-N 3.26Å; I250-Q252 PolarHBondContact O-N 3.31Å
253L61.9Low57.9Low123 Ų123145.6 Ų145.664%0.64472%0.724SS**Hα-helixtrans-88.5-20.8169.9-97.773.1000112.6A248 I250 R255A248-L253 HydrophobicContact CB-CD1 3.82Å; I250-L253 CarbonylContact O-C 3.58Å; I250-L253 WeakPolarHBondContact O-CA 3.45Å; I250-L253 WeakPolarHBondContact O-CB 3.49Å; I250-L253 PolarHBondContact O-N 3.41Å; L253-R255 PolarHBondContact O-N 3.46Å
254V57.8Low57.4Low99 Ų99142.3 Ų142.360%0.672%0.719SS**SBendtrans-65.5100.4170.4175.10000108.5I250 Q256I250-V254 PolarHBondContact O-N 2.98Å; V254-Q256 PolarHBondContact O-N 3.3Å
255R57.6Low56.8Low238 Ų238143.9 Ų143.990%0.89872%0.72SS**  trans-58.3107.1167.1-128.4-179.6-173.71582.4107.6L253 G257L253-R255 PolarHBondContact O-N 3.46Å; R255-G257 PolarHBondContact O-N 2.96Å
256Q51.6Low56.1Low180 Ų180137.5 Ų137.584%0.84171%0.711SS**  trans-51.6118.1177-163.6-177.142.400108.4V254 S258V254-Q256 PolarHBondContact O-N 3.3Å; Q256-S258 PolarHBondContact O-N 3.39Å
257G50.4Low55.8Low65 Ų65134.5 Ų134.567%0.6771%0.707SS**  trans-57.5126.8-17500000109.6R255 F259R255-G257 PolarHBondContact O-N 2.96Å; G257-F259 PolarHBondContact O-N 2.71Å
258S49.9Very low55.2Low104 Ų104135.4 Ų135.473%0.72771%0.709SS**  trans-45.5111.2-171.9177.60000111.3Q256 R260Q256-S258 PolarHBondContact O-N 3.39Å; S258-R260 WeakPolarHBondContact O-CG 3.3Å; S258-R260 PolarHBondContact O-N 3.45Å
259F48.8Very low54.7Low184 Ų184140.6 Ų140.681%0.80773%0.73SS**  trans-61.8104.1-177.5177.9-107.8000109.6G257 G261G257-F259 PolarHBondContact O-N 2.71Å; F259-G261 PolarHBondContact O-N 3.26Å
260R61.3Low53.9Low225 Ų225140.5 Ų140.585%0.84973%0.731SS**  trans-79.249.5-178-65.9-170.8177.5-89.94.3111.9S258 F262S258-R260 WeakPolarHBondContact O-CG 3.3Å; S258-R260 PolarHBondContact O-N 3.45Å; R260-F262 PolarHBondContact O-N 2.88Å
261G49.5Very low53.3Low30 Ų30139.4 Ų139.431%0.30973%0.733SS.*  trans-71.9-2-172.300000116.7F259F259-G261 PolarHBondContact O-N 3.26Å
262F52.5Low52.6Low178 Ų178140 Ų14078%0.78173%0.734SS**  trans-135.688.9-178.1-69.7-75.7000113.1R260 A264R260-F262 PolarHBondContact O-N 2.88Å; F262-A264 PolarHBondContact O-N 2.9Å
263P48.8Very low51.8Low133 Ų133140.4 Ų140.486%0.86473%0.733SS**SBendtrans-71.6-11.6170.3-18.533.1000114.3
264A48.2Very low51.4Low81 Ų81143.6 Ų143.667%0.66974%0.737SS**  trans-112.414.4-155.800000116.8F262 S266F262-A264 PolarHBondContact O-N 2.9Å; A264-S266 PolarHBondContact O-N 3.24Å
265L47.1Very low51.3Low150 Ų150146.3 Ų146.379%0.78574%0.743SS**  trans-93.969.9173.5-77.2174.1000112.2Q267L265-Q267 PolarHBondContact O-N 2.94Å; L265-Q267 VanDerWaalsContact O-N 3.1Å
266S46.8Very low51Low95 Ų95143.2 Ų143.266%0.66474%0.743SS**  trans-76.490.5-176.648.90000113.6A264 K268A264-S266 PolarHBondContact O-N 3.24Å; S266-K268 PolarHBondContact O-N 2.97Å
267Q55.1Low50.8Low189 Ų189136.5 Ų136.588%0.88372%0.716SS**SBendtrans59.7-19.9153.8-60.7-175.4-8.900120.6L265L265-Q267 PolarHBondContact O-N 2.94Å; L265-Q267 VanDerWaalsContact O-N 3.1Å
268K49.8Very low50.8Low200 Ų200141 Ų14187%0.8772%0.724SS**SBendtrans-100-18.3-164-67-176.4179.81800115.9S266S266-K268 PolarHBondContact O-N 2.97Å
269N51.5Low51Low154 Ų154143.2 Ų143.282%0.82472%0.717SS**  trans-14064.5-179.7-159.5-4.6000112.3
270S50.9Low51.2Low74 Ų74141.9 Ų141.952%0.51772%0.717SS.*  trans-109.2125.1169.1175.70000109.4F272S270-F272 PolarHBondContact O-N 2.93Å
271P50.8Low51Low115 Ų115138.7 Ų138.775%0.74772%0.717SS**SBendtrans-69.9-11.7-177.427.3-34.3000113.7
272F52.5Low51.4Low175 Ų175143.4 Ų143.477%0.76874%0.735SS**  trans-113.264.1178.9-67.6-73.6000111.9S270 R274S270-F272 PolarHBondContact O-N 2.93Å; F272-R274 PolarHBondContact O-N 2.76Å
273K44.5Very low51.6Low156 Ų156139.5 Ų139.568%0.67872%0.722SS**  trans-73.777.4-177.1-163.3179.2-174.2-1780112.7Q275K273-Q275 VanDerWaalsContact C-N 3.29Å; K273-Q275 PolarHBondContact O-N 2.59Å
274R54.9Low52Low191 Ų191136.4 Ų136.472%0.72170%0.701SS**  trans-70.879.8172.7-74.5-169.1-78.3136.1-15.9112.1F272 L276 S277F272-R274 PolarHBondContact O-N 2.76Å; R274-L276 PolarHBondContact O-N 2.81Å; R274-S277 VanDerWaalsContact CB-OG 3.28Å; R274-S277 WeakPolarHBondContact CB-OG 3.45Å; R274-S277 PolarHBondContact O-N 3.15Å; R274-S277 PolarHBondContact O-OG 2.69Å
275Q54Low52.3Low156 Ų156135.3 Ų135.373%0.72969%0.689SS**THydrogen-bonded Turntrans-67.4-3.3-169.4-162.7162.1-22.100115.8K273K273-Q275 VanDerWaalsContact C-N 3.29Å; K273-Q275 PolarHBondContact O-N 2.59Å
276L51.2Low52.6Low172 Ų172134 Ų13490%0.90169%0.687SS**THydrogen-bonded Turntrans-127.637.7177.8-64.5174.1000112.6R274 L278R274-L276 PolarHBondContact O-N 2.81Å; L276-L278 PolarHBondContact O-N 3.41Å
277S49Very low52.9Low40 Ų40135.8 Ų135.828%0.2869%0.689SS.*  trans-84.679.3177-56.80000111.6R274 R279R274-S277 VanDerWaalsContact CB-OG 3.28Å; R274-S277 WeakPolarHBondContact CB-OG 3.45Å; R274-S277 PolarHBondContact O-N 3.15Å; R274-S277 PolarHBondContact O-OG 2.69Å; S277-R279 PolarHBondContact O-N 2.78Å
278L49.4Very low53Low160 Ų160132 Ų13284%0.83867%0.671SS**  trans-59.9106170.8-78172.8000110L276L276-L278 PolarHBondContact O-N 3.41Å
279R54.9Low53.4Low150 Ų150130 Ų13057%0.56666%0.658SS**  trans-95.4136.5171.4-70.2-176.4174.685-4.6108.7S277 N281 D282S277-R279 PolarHBondContact O-N 2.78Å; R279-N281 PolarHBondContact O-N 3.02Å; R279-D282 PolarHBondContact O-N 3.3Å
280L52.1Low53.4Low155 Ų155131 Ų13181%0.81266%0.655SS**G310 helixtrans-57.5-20.2-179.6-88.5157.3000114.2
281N57.1Low53.6Low158 Ų158131.6 Ų131.685%0.84566%0.656SS**G310 helixtrans-86-10-179.5-60.24.9000114R279R279-N281 PolarHBondContact O-N 3.02Å
282D59.2Low53.4Low129 Ų129131.8 Ų131.869%0.6965%0.65SS**G310 helixtrans-104.416-179.8-73.6-66000112.4R279R279-D282 PolarHBondContact O-N 3.3Å
283L55.4Low53.1Low96 Ų96133 Ų13350%0.50366%0.656SS.*SBendtrans-100.7121.6176.9-75.6168.1000110.6
284P56.9Low53.2Low68 Ų68134.4 Ų134.444%0.44267%0.665SS.*PPolyproline II helixtrans-66.7138.6176.127.2-33.7000110.8R289P284-R289 PolarHBondContact O-NH2 2.92Å
285S56.2Low52.7Low59 Ų59130.5 Ų130.541%0.41366%0.662SS.*PPolyproline II helixtrans-54.1147.2-178.2175.60000112L287 Q288 R289S285-L287 PolarHBondContact O-N 3.4Å; S285-L287 VanDerWaalsContact O-N 3.07Å; S285-L287 PolarHBondContact OG-N 3.46Å; S285-Q288 PolarHBondContact O-N 3.09Å; S285-R289 PolarHBondContact O-N 3.18Å
286T53.4Low51.9Low122 Ų122132.2 Ų132.275%0.74867%0.667SS**THydrogen-bonded Turntrans-56.1-24.9175.6-35.90000112.5
287L51.4Low50.9Low132 Ų132131.5 Ų131.569%0.69166%0.664SS**THydrogen-bonded Turntrans-74.5-46.3173.6-68.6171.4000112.6S285 R289 K290 T291S285-L287 PolarHBondContact O-N 3.4Å; S285-L287 VanDerWaalsContact O-N 3.07Å; S285-L287 PolarHBondContact OG-N 3.46Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.46Å; L287-K290 WeakPolarHBondContact O-CB 3.2Å; L287-K290 PolarHBondContact O-N 3.21Å; L287-T291 PolarHBondContact O-N 2.87Å
288Q58.9Low50.5Low109 Ų109134.4 Ų134.451%0.50968%0.682SS.*G310 helixtrans-59.1-43.1178.5-101.3162.8-39.400111.7S285 K290 T291 D292S285-Q288 PolarHBondContact O-N 3.09Å; Q288-K290 PolarHBondContact O-N 3.5Å; Q288-T291 PolarHBondContact O-N 3.25Å; Q288-T291 PolarHBondContact O-OG1 2.99Å; Q288-D292 PolarHBondContact O-N 2.72Å
289R58Low49.8Very low160 Ų160132.9 Ų132.960%0.60468%0.679SS**G310 helixtrans-63.8-8.5177.1-143-178.7-54.2171.27.6114.2P284 S285 L287P284-R289 PolarHBondContact O-NH2 2.92Å; S285-R289 PolarHBondContact O-N 3.18Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.46Å
290K49.9Very low48.7Very low175 Ų175134.3 Ų134.376%0.76169%0.692SS**G310 helixtrans-104.1-8.1173.8-143.5-177.472.7165.20113.6L287 Q288L287-K290 WeakPolarHBondContact O-CB 3.2Å; L287-K290 PolarHBondContact O-N 3.21Å; Q288-K290 PolarHBondContact O-N 3.5Å
291T55.9Low48Very low86 Ų86132.1 Ų132.153%0.52869%0.685SS.*THydrogen-bonded Turntrans-97.3-31.6173.352.20000112.8L287 Q288 F293 T295L287-T291 PolarHBondContact O-N 2.87Å; Q288-T291 PolarHBondContact O-N 3.25Å; Q288-T291 PolarHBondContact O-OG1 2.99Å; T291-F293 PolarHBondContact O-N 3.12Å; T291-F293 VanDerWaalsContact O-N 3.1Å; T291-T295 PolarHBondContact O-OG1 3.22Å
292D45.7Very low47.4Very low119 Ų119130.8 Ų130.864%0.63669%0.685SS**THydrogen-bonded Turntrans-68.8-8.3-175-64.4-39.6000114.8Q288Q288-D292 PolarHBondContact O-N 2.72Å
293F47.9Very low46.7Very low200 Ų200132.9 Ų132.988%0.87769%0.691SS**THydrogen-bonded Turntrans-87.8-11.7-176-133.6-85.5000114.4T291T291-F293 PolarHBondContact O-N 3.12Å; T291-F293 VanDerWaalsContact O-N 3.1Å
294E45.3Very low45.7Very low185 Ų185137.5 Ų137.586%0.86471%0.712SS**SBendtrans-100.4-12.9-171-150.2175.6118.900113.7
295T45.4Very low44.8Very low109 Ų109140.8 Ų140.867%0.66973%0.726SS**SBendtrans-11513.3-154.2-12.10000117.1T291T291-T295 PolarHBondContact O-OG1 3.22Å
296K37.1Very low43.7Very low193 Ų193145.9 Ų145.984%0.83975%0.745SS**  trans-163.998171.5-118.4156.6-172.9169.70116.9
297N30.5Very low42.6Very low156 Ų156143.4 Ų143.483%0.83474%0.744SS**  -174.9128.5117.5-107.3-78.1000111.9
298P40.5Very low41.9Very low102 Ų102145.5 Ų145.566%0.66276%0.755SS**  trans-90.7146.1159.935.4-30000111.5
299V34.3Very low41.7Very low127 Ų127145.9 Ų145.977%0.7777%0.767SS**  trans41117.6134.6-174.50000116.7
300Q32Very low40.2Very low181 Ų181144.3 Ų144.385%0.84678%0.779SS**  cis-164.2166.249.7-156.4144.6-13.400114.2
301V37.3Very low39.9Very low108 Ų108144.8 Ų144.866%0.65578%0.784SS**  trans-88.5148171.1-179.80000110.7E303V301-E303 HydrophobicContact CG1-CG 3.86Å
302P43.8Very low39Very low130 Ų130144 Ų14484%0.84479%0.793SS**  -122.1141.7124.1-4.424.7000113.3
303E44.7Very low39Very low173 Ų173146.3 Ų146.381%0.80881%0.805SS**  trans-87.3155.6176.5-61.5166.287.800111.7V301V301-E303 HydrophobicContact CG1-CG 3.86Å
304M34.3Very low39.5Very low193 Ų193142.3 Ų142.395%0.95180%0.802SS**  trans-161.585.2151.3-110.3167.2-159.400112.8
305D37.8Very low40.5Very low138 Ų138136.7 Ų136.774%0.73878%0.783SS**  trans61.3135.1134-151.9-141.8000124.7
306M34.1Very low41.3Very low165 Ų165137.8 Ų137.881%0.81378%0.784SS**  trans52134155.2-136.265.872.900122.6
307G29.2Very low42.7Very low70 Ų70134.5 Ų134.572%0.72278%0.776SS**  trans-170-30173.500000122.1
308L36.6Very low44.5Very low176 Ų176129.9 Ų129.992%0.92176%0.759SS**  trans64.3165.4-175.6-74.7174.2000116.2
309P54.8Low46Very low118 Ų118129.8 Ų129.877%0.76675%0.752SS**  trans-109.1160.4-14740.2-36.5000116.9
310C27.8Very low47.1Very low126 Ų126127 Ų12785%0.85174%0.738SS**  trans-153.5143.8153-158.50000112.1
311E43.7Very low48.4Very low185 Ų185122.4 Ų122.486%0.86473%0.725SS**  trans-33.7137.2173.5-57.2-67.8103.700115.9
312G37.3Very low49.9Very low70 Ų70123.2 Ų123.272%0.72272%0.721SS**  trans-162.9-2.5179.600000119.4S314G312-S314 VanDerWaalsContact C-N 3.34Å; G312-S314 PolarHBondContact O-N 2.84Å
313D44.3Very low51.3Low168 Ų168121 Ų12190%0.89870%0.702SS**  trans-78.975.5-173.1-81.2-28.5000114.3
314S59.1Low52.1Low116 Ų116118.9 Ų118.981%0.81170%0.696SS**  trans-14639.9161.8-74.80000111.3G312 I316G312-S314 VanDerWaalsContact C-N 3.34Å; G312-S314 PolarHBondContact O-N 2.84Å; S314-I316 PolarHBondContact O-N 3.35Å
315S66.7Low53.4Low67 Ų67114.2 Ų114.247%0.46968%0.678SS.*  trans-65.8133.517679.30000111N317 A318S315-N317 PolarHBondContact O-N 3.37Å; S315-A318 WeakPolarHBondContact O-CB 3.43Å; S315-A318 PolarHBondContact O-N 2.97Å
316I61.8Low54.2Low132 Ų132111.7 Ų111.768%0.67767%0.671SS**Hα-helixtrans-57.2-28.4-176.5-72.6162.9000112.2S314 A318 L319 C320S314-I316 PolarHBondContact O-N 3.35Å; I316-A318 VanDerWaalsContact C-N 3.35Å; I316-A318 PolarHBondContact O-N 2.9Å; I316-L319 PolarHBondContact O-N 2.83Å; I316-C320 WeakPolarHBondContact O-CB 3.29Å; I316-C320 PolarHBondContact O-N 3.2Å; I316-C320 PolarHBondContact O-SG 3.39Å; I316-C320 VanDerWaalsContact O-SG 3.37Å
317N65.5Low55Low124 Ų124112.3 Ų112.366%0.66367%0.67SS**Hα-helixtrans-61.2-38.2174.9-75.9-29.5000113.2S315 C320 C321S315-N317 PolarHBondContact O-N 3.37Å; N317-C320 PolarHBondContact O-N 3.05Å; N317-C321 WeakPolarHBondContact O-CB 3.31Å; N317-C321 PolarHBondContact O-N 2.98Å; N317-C321 PolarHBondContact O-SG 3.34Å
318A69.4Low55.7Low59 Ų59112.4 Ų112.449%0.48866%0.664SS.*Hα-helixtrans-64.7-46.3178.400000111S315 I316 C321 Q322S315-A318 WeakPolarHBondContact O-CB 3.43Å; S315-A318 PolarHBondContact O-N 2.97Å; I316-A318 VanDerWaalsContact C-N 3.35Å; I316-A318 PolarHBondContact O-N 2.9Å; A318-C321 PolarHBondContact O-N 2.86Å; A318-Q322 WeakPolarHBondContact O-CB 3.48Å; A318-Q322 PolarHBondContact O-N 2.78Å
319L71.8Confident55.8Low99 Ų99112.1 Ų112.152%0.51866%0.655SS.*Hα-helixtrans-62.9-43.7176.1-178.661.6000111.9I316 C321 Q322 I323I316-L319 PolarHBondContact O-N 2.83Å; L319-C321 VanDerWaalsContact C-N 3.32Å; L319-C321 PolarHBondContact O-N 3.32Å; L319-Q322 PolarHBondContact O-N 3.28Å; L319-I323 HydrophobicContact CD1-CD1 4.02Å; L319-I323 HydrophobicContact CD1-CG1 4.27Å; L319-I323 HydrophobicContact CG-CD1 3.93Å; L319-I323 VanDerWaalsContact O-CG1 3.32Å; L319-I323 WeakPolarHBondContact O-CG1 3.32Å; L319-I323 PolarHBondContact O-N 3.49Å
320C56.4Low55Low70 Ų70112.3 Ų112.347%0.47366%0.657SS.*Hα-helixtrans-61.6-38.3175.3-73.60000112.5I316 N317 N324I316-C320 WeakPolarHBondContact O-CB 3.29Å; I316-C320 PolarHBondContact O-N 3.2Å; I316-C320 PolarHBondContact O-SG 3.39Å; I316-C320 VanDerWaalsContact O-SG 3.37Å; N317-C320 PolarHBondContact O-N 3.05Å; C320-N324 WeakPolarHBondContact O-CB 3.31Å; C320-N324 PolarHBondContact O-N 2.93Å
321C60.6Low55.4Low84 Ų84111.7 Ų111.757%0.56865%0.654SS**Hα-helixtrans-65.8-47174.3-67.50000111.6N317 A318 L319 I323 N324 T325N317-C321 WeakPolarHBondContact O-CB 3.31Å; N317-C321 PolarHBondContact O-N 2.98Å; N317-C321 PolarHBondContact O-SG 3.34Å; A318-C321 PolarHBondContact O-N 2.86Å; L319-C321 VanDerWaalsContact C-N 3.32Å; L319-C321 PolarHBondContact O-N 3.32Å; C321-I323 PolarHBondContact O-N 2.83Å; C321-N324 PolarHBondContact O-N 3.44Å; C321-N324 VanDerWaalsContact O-N 3.13Å; C321-T325 PolarHBondContact O-N 2.81Å; C321-T325 VanDerWaalsContact O-N 3.07Å; C321-T325 PolarHBondContact O-OG1 2.96Å; C321-T325 VanDerWaalsContact O-OG1 3.1Å
322Q69.3Low54.9Low125 Ų125109.8 Ų109.858%0.58465%0.649SS**Hα-helixtrans-59.7-44.3-179.4-175.7177.9-0.400112.6A318 L319 N324 T325 S326A318-Q322 WeakPolarHBondContact O-CB 3.48Å; A318-Q322 PolarHBondContact O-N 2.78Å; L319-Q322 PolarHBondContact O-N 3.28Å; Q322-N324 VanDerWaalsContact C-N 3.28Å; Q322-N324 PolarHBondContact O-N 3.34Å; Q322-T325 PolarHBondContact O-N 3.1Å; Q322-T325 PolarHBondContact O-OG1 3.39Å; Q322-T325 VanDerWaalsContact O-OG1 3.12Å; Q322-S326 PolarHBondContact O-N 2.84Å; Q322-S326 VanDerWaalsContact O-N 3.1Å; Q322-S326 PolarHBondContact O-OG 3.39Å
323I71.9Confident54.7Low84 Ų84115.1 Ų115.143%0.43166%0.655SS.*Hα-helixtrans-61.8-39.3176.2-68167.1000110.6L319 C321 S326 F327L319-I323 HydrophobicContact CD1-CD1 4.02Å; L319-I323 HydrophobicContact CD1-CG1 4.27Å; L319-I323 HydrophobicContact CG-CD1 3.93Å; L319-I323 VanDerWaalsContact O-CG1 3.32Å; L319-I323 WeakPolarHBondContact O-CG1 3.32Å; L319-I323 PolarHBondContact O-N 3.49Å; C321-I323 PolarHBondContact O-N 2.83Å; I323-S326 WeakPolarHBondContact O-CB 3.43Å; I323-S326 PolarHBondContact O-N 3.23Å; I323-F327 HydrophobicContact CG2-CD2 4.29Å; I323-F327 HydrophobicContact CG2-CE2 3.91Å; I323-F327 VanDerWaalsContact O-CD2 3.3Å; I323-F327 WeakPolarHBondContact O-CD2 3.39Å
324N61.9Low54.5Low128 Ų128114.1 Ų114.168%0.68465%0.649SS**Hα-helixtrans-70.9-34.6-177.3-141.217000112.4C320 C321 Q322C320-N324 WeakPolarHBondContact O-CB 3.31Å; C320-N324 PolarHBondContact O-N 2.93Å; C321-N324 PolarHBondContact O-N 3.44Å; C321-N324 VanDerWaalsContact O-N 3.13Å; Q322-N324 VanDerWaalsContact C-N 3.28Å; Q322-N324 PolarHBondContact O-N 3.34Å
325T61.4Low53.3Low95 Ų95117.8 Ų117.858%0.58365%0.651SS**Hα-helixtrans-72.7-28.4171.230.80000113.2C321 Q322 F327 A328C321-T325 PolarHBondContact O-N 2.81Å; C321-T325 VanDerWaalsContact O-N 3.07Å; C321-T325 PolarHBondContact O-OG1 2.96Å; C321-T325 VanDerWaalsContact O-OG1 3.1Å; Q322-T325 PolarHBondContact O-N 3.1Å; Q322-T325 PolarHBondContact O-OG1 3.39Å; Q322-T325 VanDerWaalsContact O-OG1 3.12Å; T325-F327 VanDerWaalsContact C-N 3.33Å; T325-F327 PolarHBondContact O-N 3.39Å; T325-A328 PolarHBondContact O-N 3.38Å
326S55.5Low51.6Low84 Ų84120.9 Ų120.959%0.58767%0.672SS**Hα-helixtrans-63.4-32.4177.6-62.60000114Q322 I323Q322-S326 PolarHBondContact O-N 2.84Å; Q322-S326 VanDerWaalsContact O-N 3.1Å; Q322-S326 PolarHBondContact O-OG 3.39Å; I323-S326 WeakPolarHBondContact O-CB 3.43Å; I323-S326 PolarHBondContact O-N 3.23Å
327F49.4Very low50.2Low178 Ų178121.7 Ų121.778%0.78168%0.678SS**THydrogen-bonded Turntrans-86.4-4.8177.8-69.2-70.8000114.3I323 T325I323-F327 HydrophobicContact CG2-CD2 4.29Å; I323-F327 HydrophobicContact CG2-CE2 3.91Å; I323-F327 VanDerWaalsContact O-CD2 3.3Å; I323-F327 WeakPolarHBondContact O-CD2 3.39Å; T325-F327 VanDerWaalsContact C-N 3.33Å; T325-F327 PolarHBondContact O-N 3.39Å
328A44.3Very low49.4Very low73 Ų73120.9 Ų120.960%0.60368%0.68SS**THydrogen-bonded Turntrans-93.83.7-172.600000114.8T325T325-A328 PolarHBondContact O-N 3.38Å
329K38.7Very low47.5Very low170 Ų170122.4 Ų122.474%0.73969%0.687SS**  trans-131.8106.8179.7-72.7-173.9175.1-175.40112
330P37.7Very low45.8Very low122 Ų122126.1 Ų126.179%0.79270%0.704SS**  trans-70.4129.215031.2-29.9000108.2
331S35.7Very low44.5Very low113 Ų113128.1 Ų128.179%0.7972%0.718SS**  trans-99.5108.2173.9-61.60000109.8
332D34.9Very low43.1Very low144 Ų144127.7 Ų127.777%0.7772%0.721SS**  trans-74.6-172.2152-81.8-68.6000110.2
333E32.3Very low41.1Very low182 Ų182129.5 Ų129.585%0.8573%0.734SS**  trans78.293.5-175.1-56.6-57.1124.200116.1
334L40.2Very low38.9Very low147 Ų147131.3 Ų131.377%0.7775%0.753SS**  trans-90.1163.4160.6-74.5162.8000110.5
335F33.3Very low38.4Very low194 Ų194130.9 Ų130.985%0.85176%0.757SS**  trans69.5105.9167.8-58.3-79.7000119
336S31.3Very low38.3Very low131 Ų131131.5 Ų131.592%0.91676%0.763SS**  -164.9142.1121.8-85.80000112.1
337N33.5Very low36.8Very low149 Ų149133.5 Ų133.580%0.79777%0.772SS**  trans-160.6140.5175.2-168.911.3000106.9
338P47.8Very low36.1Very low108 Ų108130.9 Ų130.970%0.70178%0.775SS**  -152.616599.138.8-20.8000117.8
339S30.5Very low35.2Very low90 Ų90133.5 Ų133.563%0.62978%0.783SS**  trans89.1111.8136.861.50000123.7
340M34.7Very low34.9Very low178 Ų178131.7 Ų131.788%0.87779%0.786SS**  trans68.9145.4133.5-56.4-50.2166.900121.2
341S29.8Very low35.2Very low111 Ų111131.2 Ų131.278%0.77678%0.783SS**  cis-169.7177.3-17.1-169.20000111.5
342A30.2Very low35.1Very low76 Ų76132 Ų13263%0.62879%0.785SS**  trans101107.5155.100000122.8
343N27.7Very low34.9Very low162 Ų162133.3 Ų133.387%0.86679%0.791SS**  trans80.9149.9131.6-59.4-6.2000123.9
344C25.4Very low35Very low123 Ų123132.2 Ų132.283%0.83179%0.79SS**  trans-137.2-162.5-176-590000109.7
345P53.1Low34.8Very low118 Ų118130.4 Ų130.477%0.76679%0.787SS**  -116.7-134-73.540.5-23.3000109.4
346P57.9Low35.2Very low108 Ų108127.1 Ų127.170%0.70179%0.785SS**  cis-127.8-171.5-37.240.7-24.8000113.8
347T25.4Very low35.8Very low126 Ų126126.5 Ų126.577%0.77378%0.778SS**  trans155.3153.7135.3-65.80000113.9
348C32.9Very low35.9Very low124 Ų124125.7 Ų125.784%0.83878%0.78SS**  trans-128148.4-176.9-54.50000113.7
349T26.9Very low35.6Very low127 Ų127125 Ų12578%0.77978%0.784SS**  trans-151.3118.5175.1-43.20000115.7
350V30.7Very low36Very low132 Ų132126.9 Ų126.980%0.879%0.794SS**  trans42.1137.1145.6-171.90000123.4
351P44.3Very low36Very low112 Ų112125.3 Ų125.373%0.72779%0.794SS**  trans-109.7172.5172.642.2-35.1000116.5
352P34.9Very low36.1Very low130 Ų130129 Ų12984%0.84480%0.799SS**  trans-104.3-175.2175.139.7-34.2000116.2
353I30.7Very low36Very low172 Ų172130.4 Ų130.488%0.88281%0.811SS**  trans-104.6161.9-158.1-71.1166.4000115.2
354L34.2Very low36.1Very low158 Ų158129.3 Ų129.383%0.82781%0.81SS**  trans-118.9147.7-179.6-122.1119000114
355P35.3Very low36.5Very low110 Ų110129.3 Ų129.371%0.71481%0.812SS**PPolyproline II helixtrans-101.7165.2165.237.7-31.7000113.7
356P41.9Very low35.2Very low124 Ų124128.7 Ų128.781%0.80581%0.81SS**PPolyproline II helixtrans-93.5163.3-168.136.5-37.2000116.3
357P43.2Very low33.6Very low119 Ų119134.5 Ų134.577%0.77382%0.818SS**PPolyproline II helixtrans-96.7161.2-179.738.2-35.9000114.9
358P36.5Very low33.8Very low131 Ų131133.9 Ų133.985%0.85181%0.814SS**PPolyproline II helixtrans-85.1160.7169.935.6-35000113.1
359A41.5Very low33.6Very low94 Ų94135.5 Ų135.578%0.77781%0.809SS**  trans-109.9149.718000000113.2
360P39.3Very low34.1Very low129 Ų129135.1 Ų135.184%0.83881%0.809SS**  trans-88.7150.817035-32.8000112.5
361V33.9Very low34Very low146 Ų146136.2 Ų136.289%0.88581%0.805SS**  trans-106.4169.6179.8-760000113.2
362Q32.3Very low33.7Very low189 Ų189135.8 Ų135.888%0.88380%0.802SS**  trans-75.7157.3-171.2-54.5164.9-75.200114.1
363A28.7Very low33.3Very low104 Ų104133.8 Ų133.886%0.8679%0.792SS**  trans-149156.1152.500000110
364T29.3Very low33.1Very low139 Ų139132.6 Ų132.685%0.85379%0.786SS**  trans-125.6161.6-168.150.40000113.8
365S33.9Very low32.9Very low124 Ų124133.3 Ų133.387%0.86779%0.785SS**  trans-76.5135.3-178.6-44.40000113.7
366S25.7Very low32.6Very low105 Ų105133.1 Ų133.173%0.73479%0.786SS**  trans-171136.5142.855.80000111.1
367W24.9Very low32.8Very low230 Ų230133 Ų13387%0.87179%0.785SS**  -174.6172.5111.8-121.474.6000114.4
368V29Very low33.2Very low112 Ų112133 Ų13368%0.67979%0.786SS**  trans-99158.2-161.9157.80000113.4
369Q28.2Very low33.5Very low158 Ų158132.5 Ų132.574%0.73878%0.782SS**  trans-73.7151172.4-93.7-77.3-20.300113
370P37.9Very low33.3Very low119 Ų119134.4 Ų134.477%0.77378%0.784SS**  -148.7161.7103.939.5-24000117.2
371E28.3Very low32.9Very low156 Ų156134.3 Ų134.373%0.72979%0.786SS**  trans-69.9173.3159.3-120.5-142.794.500111.2S373E371-S373 PolarHBondContact OE1-N 3.4Å
372P38.8Very low33Very low103 Ų103132.5 Ų132.567%0.66979%0.787SS**  cis-144.9-179.629.842.3-21.5000120.3
373S26.5Very low33Very low88 Ų88128.2 Ų128.262%0.61578%0.783SS**  trans108.1113.713576.10000122.7E371E371-S373 PolarHBondContact OE1-N 3.4Å
374L26.9Very low33.4Very low147 Ų147131.5 Ų131.577%0.7779%0.785SS**  trans78.6143.5132.3-64.7169.4000124.1
375H29.2Very low33.6Very low172 Ų172133.6 Ų133.680%0.79679%0.786SS**  trans96.8164.3160.3-57.5113.4000120.1
376S29.7Very low34Very low107 Ų107133.7 Ų133.775%0.74879%0.786SS**  trans-121.6167.5-142.8-520000113.2
377P46.2Very low34.2Very low121 Ų121131.8 Ų131.879%0.78678%0.783SS**  trans-75.4176.5177.735.1-37.7000111.8
378P51.1Low34.8Very low120 Ų120130.1 Ų130.178%0.77979%0.785SS**  cis-128.6-154.623.141.6-19.9000111.8
379P41.8Very low35.4Very low120 Ų120134.5 Ų134.578%0.77980%0.795SS**  cis-135.1-139.62.944.7-23.5000115
380V37.2Very low36.5Very low134 Ų134137.3 Ų137.381%0.81280%0.799SS**  trans-109.5152.4-175.1-75.90000113.8
381S30.6Very low37.3Very low127 Ų127137.4 Ų137.489%0.88880%0.797SS**  trans-158.6143.2149.7-81.90000110.2
382A36.7Very low38.8Very low108 Ų108134.8 Ų134.889%0.89379%0.793SS**  trans-94.1134.4-179.600000111.2
383A31.7Very low40.3Very low98 Ų98132.7 Ų132.781%0.8178%0.781SS**  trans-133.8124.2170.500000109.8
384L37.6Very low42.5Very low173 Ų173135.5 Ų135.591%0.90679%0.785SS**  trans-83.4114179.317768.1000109.7
385Q33.4Very low44Very low184 Ų184131.2 Ų131.286%0.8677%0.771SS**  trans-132.3117.6163.8-72.4-164.3-7.500111.3G387Q385-G387 PolarHBondContact O-N 2.85Å
386S42.3Very low46.4Very low126 Ų126127.5 Ų127.588%0.88175%0.754SS**  trans-74.4112.8173.3500000110.3
387G30.7Very low48.9Very low65 Ų65128.7 Ų128.767%0.6774%0.742SS**  trans-160.348.2-174.200000113.8Q385 K389Q385-G387 PolarHBondContact O-N 2.85Å; G387-K389 VanDerWaalsContact C-N 3.31Å; G387-K389 PolarHBondContact O-N 3.34Å
388H37Very low50.5Low195 Ų195130.4 Ų130.490%0.90373%0.732SS**  trans-66.384.8179-76.6-57.1000112.4R390H388-R390 VanDerWaalsContact C-N 3.3Å; H388-R390 PolarHBondContact O-N 3Å
389K42.3Very low52.2Low203 Ų203129.5 Ų129.588%0.88372%0.721SS**  trans-67.695.4155.6-63.4-154.5177-167.70107.4G387 T391G387-K389 VanDerWaalsContact C-N 3.31Å; G387-K389 PolarHBondContact O-N 3.34Å; K389-T391 PolarHBondContact O-N 3.42Å; K389-T391 VanDerWaalsContact O-N 3.15Å
390R51.4Low54Low218 Ų218130.5 Ų130.582%0.82372%0.715SS**  trans-61.6113.7-177.4-159.4-177-144.41666.4108.6H388H388-R390 VanDerWaalsContact C-N 3.3Å; H388-R390 PolarHBondContact O-N 3Å
391T54.4Low56.1Low120 Ų120129.7 Ų129.774%0.73670%0.702SS**PPolyproline II helixtrans-59.8130.6165.748.30000108K389 S393K389-T391 PolarHBondContact O-N 3.42Å; K389-T391 VanDerWaalsContact O-N 3.15Å; T391-S393 PolarHBondContact O-N 3.47Å
392P58.5Low58.4Low101 Ų101126.3 Ų126.366%0.65668%0.676SS**PPolyproline II helixtrans-59.8136.2-176.124-33.5000110.5E396P392-E396 HydrophobicContact CB-CB 4.48Å
393S71.6Confident60.5Low59 Ų59124.9 Ų124.941%0.41366%0.66SS.*PPolyproline II helixtrans-62.6151.4175.7-176.30000110.6T391 A395 E396 R397T391-S393 PolarHBondContact O-N 3.47Å; S393-A395 PolarHBondContact O-N 3.37Å; S393-A395 VanDerWaalsContact O-N 3.16Å; S393-E396 VanDerWaalsContact CB-OE2 3.29Å; S393-E396 WeakPolarHBondContact CB-OE2 3.47Å; S393-E396 PolarHBondContact N-OE2 3.43Å; S393-E396 PolarHBondContact O-N 3.01Å; S393-R397 PolarHBondContact O-N 3.17Å
394E71.1Confident62.4Low148 Ų148128.1 Ų128.169%0.69266%0.656SS**Hα-helixtrans-56.5-31.8173.7-167175.6164.300111.7W398E394-W398 WeakPolarHBondContact O-CB 3.41Å; E394-W398 PolarHBondContact O-N 2.84Å
395A60.4Low63.9Low57 Ų57122.7 Ų122.747%0.47164%0.636SS.*Hα-helixtrans-70.1-35.6173.400000113.6S393 W398 L399S393-A395 PolarHBondContact O-N 3.37Å; S393-A395 VanDerWaalsContact O-N 3.16Å; A395-W398 PolarHBondContact O-N 2.87Å; A395-L399 WeakPolarHBondContact O-CG 3.08Å; A395-L399 PolarHBondContact O-N 3Å
396E79.1Confident65.6Low94 Ų94117.9 Ų117.944%0.43962%0.619SS.*Hα-helixtrans-69.9-43.4177.1-69.2167.7138.900109.9P392 S393 W398 L399 E400P392-E396 HydrophobicContact CB-CB 4.48Å; S393-E396 VanDerWaalsContact CB-OE2 3.29Å; S393-E396 WeakPolarHBondContact CB-OE2 3.47Å; S393-E396 PolarHBondContact N-OE2 3.43Å; S393-E396 PolarHBondContact O-N 3.01Å; E396-W398 VanDerWaalsContact C-N 3.32Å; E396-W398 PolarHBondContact O-N 3.32Å; E396-L399 PolarHBondContact O-N 2.86Å; E396-E400 PolarHBondContact O-N 3.33Å
397R80.8Confident66.2Low131 Ų131120.4 Ų120.449%0.49461%0.614SS.*Hα-helixtrans-61.3-39.6173.3-159.8-17078.4-112.8-1.6112.1S393 E400 E401S393-R397 PolarHBondContact O-N 3.17Å; R397-E400 PolarHBondContact O-N 2.9Å; R397-E401 WeakPolarHBondContact O-CB 3.33Å; R397-E401 PolarHBondContact O-N 3.34Å
398W80.4Confident67.3Low157 Ų157120.8 Ų120.860%0.59561%0.61SS**Hα-helixtrans-66.3-41.7176.4-179.178.6000112.6E394 A395 E396 E400 E401 V402E394-W398 WeakPolarHBondContact O-CB 3.41Å; E394-W398 PolarHBondContact O-N 2.84Å; A395-W398 PolarHBondContact O-N 2.87Å; E396-W398 VanDerWaalsContact C-N 3.32Å; E396-W398 PolarHBondContact O-N 3.32Å; W398-E400 VanDerWaalsContact C-N 3.32Å; W398-E400 PolarHBondContact O-N 2.82Å; W398-E401 PolarHBondContact O-N 2.85Å; W398-V402 HydrophobicContact CD2-CG2 3.97Å; W398-V402 HydrophobicContact CE3-CG2 4.35Å; W398-V402 HydrophobicContact CH2-CG2 4.09Å; W398-V402 HydrophobicContact CZ2-CG2 3.66Å; W398-V402 HydrophobicContact CZ3-CG2 4.41Å; W398-V402 WeakPolarHBondContact O-CG2 3.43Å; W398-V402 PolarHBondContact O-N 2.9Å
399L86.8Confident67.9Low102 Ų102119.6 Ų119.653%0.53461%0.605SS.*Hα-helixtrans-61.6-40174.5-75.4171000112.1A395 E396 S403A395-L399 WeakPolarHBondContact O-CG 3.08Å; A395-L399 PolarHBondContact O-N 3Å; E396-L399 PolarHBondContact O-N 2.86Å; L399-S403 WeakPolarHBondContact O-CB 3.4Å; L399-S403 PolarHBondContact O-N 2.95Å; L399-S403 PolarHBondContact O-OG 2.84Å
400E80.2Confident68.1Low141 Ų141117.7 Ų117.766%0.65960%0.599SS**Hα-helixtrans-66.1-40.2175.7-166.4170.4-141.100111.7E396 R397 W398 S403 K404E396-E400 PolarHBondContact O-N 3.33Å; R397-E400 PolarHBondContact O-N 2.9Å; W398-E400 VanDerWaalsContact C-N 3.32Å; W398-E400 PolarHBondContact O-N 2.82Å; E400-S403 WeakPolarHBondContact O-CB 3.42Å; E400-S403 PolarHBondContact O-N 3.21Å; E400-K404 WeakPolarHBondContact O-CB 2.98Å; E400-K404 PolarHBondContact O-N 3.37Å
401E81Confident67.6Low116 Ų116112.9 Ų112.954%0.54259%0.594SS.*Hα-helixtrans-67.2-42.6176.6-164167.2104.800112.6R397 W398 K404 A405R397-E401 WeakPolarHBondContact O-CB 3.33Å; R397-E401 PolarHBondContact O-N 3.34Å; W398-E401 PolarHBondContact O-N 2.85Å; E401-K404 WeakPolarHBondContact O-CB 3.3Å; E401-K404 PolarHBondContact O-N 3.25Å; E401-A405 PolarHBondContact O-N 3.4Å
402V78.3Confident66.8Low57 Ų57112.8 Ų112.835%0.34560%0.596SS.*Hα-helixtrans-62.4-43.3172.5170.20000111.2W398 K404 A405 V406W398-V402 HydrophobicContact CD2-CG2 3.97Å; W398-V402 HydrophobicContact CE3-CG2 4.35Å; W398-V402 HydrophobicContact CH2-CG2 4.09Å; W398-V402 HydrophobicContact CZ2-CG2 3.66Å; W398-V402 HydrophobicContact CZ3-CG2 4.41Å; W398-V402 WeakPolarHBondContact O-CG2 3.43Å; W398-V402 PolarHBondContact O-N 2.9Å; V402-K404 VanDerWaalsContact C-N 3.26Å; V402-K404 PolarHBondContact O-N 3Å; V402-A405 PolarHBondContact O-N 3.1Å; V402-V406 WeakPolarHBondContact O-CG2 3.43Å; V402-V406 PolarHBondContact O-N 3.36Å
403S80.8Confident66Low78 Ų78114.1 Ų114.155%0.54560%0.604SS.*Hα-helixtrans-59.8-38.9175.7-590000111.7L399 E400 K407L399-S403 WeakPolarHBondContact O-CB 3.4Å; L399-S403 PolarHBondContact O-N 2.95Å; L399-S403 PolarHBondContact O-OG 2.84Å; E400-S403 WeakPolarHBondContact O-CB 3.42Å; E400-S403 PolarHBondContact O-N 3.21Å; S403-K407 WeakPolarHBondContact O-CB 3.16Å; S403-K407 PolarHBondContact O-N 3.13Å; S403-K407 VanDerWaalsContact O-N 3.13Å
404K71.2Confident64.2Low166 Ų166117.2 Ų117.272%0.72263%0.626SS**Hα-helixtrans-70.2-37.7177.2-155.7175.6-170.8177.60112.2E400 E401 V402 K407 A408E400-K404 WeakPolarHBondContact O-CB 2.98Å; E400-K404 PolarHBondContact O-N 3.37Å; E401-K404 WeakPolarHBondContact O-CB 3.3Å; E401-K404 PolarHBondContact O-N 3.25Å; V402-K404 VanDerWaalsContact C-N 3.26Å; V402-K404 PolarHBondContact O-N 3Å; K404-K407 PolarHBondContact O-N 3.16Å; K404-A408 PolarHBondContact O-N 3.44Å; K404-A408 VanDerWaalsContact O-N 3.1Å
405A70.1Confident62.5Low59 Ų59113.6 Ų113.649%0.48863%0.629SS.*Hα-helixtrans-66.3-46174.900000112.3E401 V402 K407 A408 Q409E401-A405 PolarHBondContact O-N 3.4Å; V402-A405 PolarHBondContact O-N 3.1Å; A405-K407 VanDerWaalsContact C-N 3.27Å; A405-K407 PolarHBondContact O-N 3.1Å; A405-A408 WeakPolarHBondContact O-CB 3.36Å; A405-A408 PolarHBondContact O-N 3.01Å; A405-Q409 PolarHBondContact O-N 2.94Å
406V68.9Low61.8Low83 Ų83117.1 Ų117.150%0.50365%0.647SS.*Hα-helixtrans-58.5-41.1174.4170.50000111.1V402 A408 Q409V402-V406 WeakPolarHBondContact O-CG2 3.43Å; V402-V406 PolarHBondContact O-N 3.36Å; V406-A408 VanDerWaalsContact C-N 3.28Å; V406-A408 PolarHBondContact O-N 2.87Å; V406-Q409 PolarHBondContact O-N 2.72Å
407K55.9Low59.5Low179 Ų179120.2 Ų120.278%0.77867%0.665SS**Hα-helixtrans-69.8-20.8177.2-165.1164.9-175.7171.30113.8S403 K404 A405S403-K407 WeakPolarHBondContact O-CB 3.16Å; S403-K407 PolarHBondContact O-N 3.13Å; S403-K407 VanDerWaalsContact O-N 3.13Å; K404-K407 PolarHBondContact O-N 3.16Å; A405-K407 VanDerWaalsContact C-N 3.27Å; A405-K407 PolarHBondContact O-N 3.1Å
408A53Low57.2Low72 Ų72120.7 Ų120.760%0.59568%0.676SS**Hα-helixtrans-84.2-11.1174.800000113.8K404 A405 V406K404-A408 PolarHBondContact O-N 3.44Å; K404-A408 VanDerWaalsContact O-N 3.1Å; A405-A408 WeakPolarHBondContact O-CB 3.36Å; A405-A408 PolarHBondContact O-N 3.01Å; V406-A408 VanDerWaalsContact C-N 3.28Å; V406-A408 PolarHBondContact O-N 2.87Å
409Q50.4Low54.9Low171 Ų171119.3 Ų119.380%0.79969%0.687SS**SBendtrans-95.58.9-174.5-154.9170.7-1.100114A405 V406A405-Q409 PolarHBondContact O-N 2.94Å; V406-Q409 PolarHBondContact O-N 2.72Å
410Q45.3Very low52.1Low162 Ų162120.6 Ų120.676%0.75770%0.699SS**SBendtrans-103.818.1-176.3-63.6-169.91.400114.9
411T41.1Very low50.2Low117 Ų117121.3 Ų121.372%0.71871%0.706SS**  trans-121.2131.3177.543.90000112.5
412P38.5Very low48Very low118 Ų118121.7 Ų121.777%0.76672%0.718SS**  trans-80.8155.5179.433.4-35.5000113
413P41.1Very low45.9Very low129 Ų129122.2 Ų122.284%0.83874%0.735SS**  trans-92.2153.1-177.336-35.2000114.3
414S33.6Very low44Very low125 Ų125124.6 Ų124.687%0.87475%0.749SS**  trans-115.6144.6169.6-63.90000111.1
415G36.1Very low42.9Very low72 Ų72122.6 Ų122.674%0.74275%0.753SS**  trans-81.6171.2-175.400000115.9
416P46.2Very low41Very low130 Ų130125.2 Ų125.284%0.84477%0.767SS**  trans-98.8146.7-169.737-34000114.8
417I30.5Very low39.3Very low160 Ų160128.5 Ų128.582%0.82178%0.781SS**  trans-137.6115.8166.4-59.5-177.2000111.6
418I31.3Very low38Very low141 Ų141125.8 Ų125.872%0.72378%0.779SS**  trans25.7125.3143.2-47.9174.1000119.5
419P31.6Very low36.9Very low127 Ų127127 Ų12783%0.82578%0.784SS**  trans-86.8141.4163.435.1-32000113
420T29.9Very low36Very low130 Ų130126.8 Ų126.880%0.79878%0.782SS**  trans-110.3145.6179.4-60.50000112
421I39.4Very low35.5Very low155 Ų155126.8 Ų126.880%0.79578%0.782SS**  trans-81.5139.3-177-60.7167.8000111
422P34.8Very low35Very low124 Ų124127.5 Ų127.581%0.80578%0.78SS**  trans-74.7141.4174.7-14.129.8000113.6
423G34.3Very low34.6Very low68 Ų68126.2 Ų126.270%0.70177%0.774SS**  trans-113.3158.9167.300000112.4
424P41.1Very low34.2Very low128 Ų128125.5 Ų125.583%0.83177%0.767SS**  trans-78.3161.6-176.932.6-35.8000113.7
425P47.3Very low34.1Very low124 Ų124129 Ų12981%0.80577%0.77SS**  trans-93155.7-167.336.3-36.6000115.1
426S31.2Very low33.7Very low114 Ų114128.6 Ų128.680%0.79777%0.765SS**  trans-152.6108.6158.2-94.60000113.5
427I31.9Very low32.9Very low153 Ų153128.6 Ų128.679%0.78577%0.768SS**  trans21.4116.6142.445.9172.9000122.4
428T30.1Very low33.2Very low121 Ų121128.8 Ų128.874%0.74277%0.77SS**  84100119.7-52.80000121.8
429S29.1Very low33.9Very low99 Ų99128.1 Ų128.169%0.69278%0.775SS**  trans71.5160.3140.3-142.70000116.6
430H32.3Very low33.8Very low166 Ų166125.3 Ų125.377%0.76977%0.769SS**  cis-152.4168.213.43.8-104000112.8
431H33.3Very low35.1Very low161 Ų161125.1 Ų125.175%0.74577%0.77SS**  trans81.288.8149.1-140-100.5000122.8
432I31.4Very low35.5Very low132 Ų132124 Ų12468%0.67777%0.773SS**  71.4130.4115.8-98.5167.1000123.7
433S31.3Very low35.2Very low92 Ų92121.8 Ų121.864%0.64377%0.773SS**  trans82.7103.4145.4-75.60000125.7
434T32.2Very low35.1Very low113 Ų113123.7 Ų123.769%0.69378%0.775SS**  59.1123.8120.261.50000123.7
435Q30.4Very low34.6Very low200 Ų200125.3 Ų125.394%0.93578%0.776SS**  trans61.7149.1139.1-62.9178.6-17.200118.9
436G29.2Very low34.8Very low62 Ų62124.7 Ų124.764%0.63977%0.772SS**  cis169.2174.5-4.700000112.2
437S29.3Very low34.8Very low130 Ų130124.8 Ų124.891%0.90977%0.773SS**  trans76.7141.1167.7-57.40000120.7
438L35.8Very low34.9Very low165 Ų165122.3 Ų122.386%0.86478%0.775SS**  trans-92.4-166.2160.2-60.5168.2000107.9
439P45.8Very low34.9Very low126 Ų126124.6 Ų124.682%0.81878%0.779SS**  cis-140-176.2-3.644-26.4000116.1
440G30.1Very low35.2Very low68 Ų68125.9 Ų125.970%0.70177%0.774SS**  trans111.6139.6137.300000119.9
441P57.6Low36Very low127 Ų127123.5 Ų123.583%0.82577%0.774SS**  trans-101.2-161.5167.844.2-36.8000110.6
442P46.5Very low35.8Very low131 Ų131123.7 Ų123.785%0.85177%0.772SS**  cis-135.7-169.2-2.443.6-24.9000115.3
443G29.9Very low36.9Very low78 Ų78122 Ų12280%0.80477%0.77SS**  trans163.3162166.400000115.9
444S31.5Very low37Very low107 Ų107125.8 Ų125.875%0.74878%0.782SS**  trans-155144.5-172.261.20000116.7
445L31.4Very low36.9Very low163 Ų163125.2 Ų125.285%0.85379%0.789SS**  trans67.3168156.7-73.4173000118.4
446P49.8Very low36.9Very low111 Ų111124.9 Ų124.972%0.72179%0.785SS**  cis-139.1180-23.535.7-16.4000117
447S32Very low36.8Very low116 Ų116128.7 Ų128.781%0.81179%0.79SS**  trans84.7119.9138.5-155.50000123.7
448A33.2Very low37Very low101 Ų101126 Ų12684%0.83578%0.777SS**  trans174.9162.3133.500000110.2
449M30.7Very low36.7Very low169 Ų169124.9 Ų124.983%0.83378%0.776SS**  -171.6106.9-62.5172.8166.2178.900107.8
450Q36.1Very low36.9Very low126 Ų126124.8 Ų124.859%0.58978%0.776SS**  trans65.3168.8143.1-65.9-59.2-2400120
451P48.7Very low37.1Very low116 Ų116125.9 Ų125.975%0.75378%0.778SS**  cis-131.1148.410.540.1-22000120.3
452F29.1Very low36.7Very low164 Ų164125.4 Ų125.472%0.71978%0.775SS**  14.3165.5126-71.3-51.3000123.9
453P55.1Low36.2Very low97 Ų97125.3 Ų125.363%0.6377%0.772SS**  cis-149.3-176.8-2842.4-23.4000117.8
454L33.8Very low36.4Very low171 Ų171125.1 Ų125.190%0.89577%0.77SS**  trans69.3159.6161.4-54.6-174.3000117.9
455A29.6Very low36.5Very low101 Ų101127 Ų12784%0.83577%0.769SS**  cis-137.9-153.610.500000114.1
456F29.7Very low36.6Very low193 Ų193128.5 Ų128.585%0.84677%0.769SS**  trans-137158.9-158.1-167.7-103.6000114.5
457D28.1Very low35.7Very low142 Ų142127.3 Ų127.376%0.75977%0.769SS**  trans70.8174.8167.3-123.4-36.7000122
458A31.6Very low35.7Very low75 Ų75129.2 Ų129.262%0.6277%0.769SS**  trans-132.6-179.8-148.100000117.9
459T30.4Very low35.6Very low140 Ų140130.9 Ų130.986%0.85976%0.76SS**  trans67.6160.4173.130.50000117.8
460P49.6Very low36.2Very low125 Ų125128.5 Ų128.581%0.81276%0.757SS**  cis-125.7-165.9-339.3-21000114.9
461A35.2Very low36.2Very low90 Ų90128.4 Ų128.474%0.74477%0.765SS**  trans-84.2171.7178.300000114.3
462P49.7Very low35.4Very low117 Ų117130 Ų13076%0.7676%0.763SS**  -153.5164.7104.639.3-21.7000118.4
463V36.2Very low36.3Very low129 Ų129127.8 Ų127.878%0.78276%0.764SS**  trans30.9133.7142.3-175.50000119.8M465V463-M465 HydrophobicContact CG1-CG 4.27Å; V463-M465 HydrophobicContact CG1-SD 4.03Å
464G33.8Very low35.3Very low75 Ų75127.4 Ų127.477%0.77377%0.769SS**  cis-168.9-135.311.900000111.1
465M32Very low35.2Very low147 Ų147128 Ų12872%0.72477%0.765SS**  cis-172.7142.6-7.3-131.71735800110.5V463V463-M465 HydrophobicContact CG1-CG 4.27Å; V463-M465 HydrophobicContact CG1-SD 4.03Å
466F33.6Very low35.2Very low194 Ų194130.4 Ų130.485%0.85176%0.761SS**  trans61144.3173.7-74.6-115.1000117.9
467A31.6Very low35.5Very low86 Ų86127.2 Ų127.271%0.71176%0.759SS**  cis-168.3172.4-20.700000106.9
468N32.3Very low35.7Very low155 Ų155128.5 Ų128.583%0.82976%0.763SS**  cis-145.9-129.32.8-161.7-9.3000110.7
469Q30.8Very low35.7Very low137 Ų137133.9 Ų133.964%0.6478%0.775SS**  trans-144.5169.8-174.8-91.2-108.1-54.100112.6
470P44.3Very low35.7Very low119 Ų119132.4 Ų132.477%0.77377%0.766SS**  -139.3120.398.436.1-22.3000117.3
471V34.7Very low34.5Very low123 Ų123136 Ų13675%0.74577%0.765SS**  trans68.7115.1131.2-166.10000121.6
472Q31.6Very low34.4Very low151 Ų151139.2 Ų139.271%0.70677%0.766SS**  trans-41.2-178.3157-68.4-74.2-14.400117.6
473P48.2Very low34.6Very low116 Ų116139 Ų13975%0.75377%0.765SS**  cis-132.8178.25.230.6-7.6000117.1
474A35.2Very low34.6Very low89 Ų89136 Ų13674%0.73676%0.761SS**  trans-127.5144.4164.500000111
475F30.4Very low34.8Very low183 Ų183140.5 Ų140.580%0.80377%0.766SS**  trans-150.2137.4-177.7-120.3-104000113.9
476M31.1Very low34.8Very low153 Ų153138 Ų13875%0.75477%0.769SS**  trans54.4122.6158.2-66.5-68.2169.700122.4
477P35.5Very low34.8Very low125 Ų125133.9 Ų133.981%0.81276%0.764SS**  trans-79.1156.3145.335.3-31.8000110.9
478M31.6Very low34.9Very low170 Ų170135.5 Ų135.584%0.83777%0.77SS**  trans-115.6139-173.5-145.1-67.9-178.500111.5
479Q32.6Very low34.9Very low187 Ų187136.5 Ų136.587%0.87477%0.772SS**  trans-147.9135.6174.3-162.5178.123.700112.4
480T29.8Very low34.8Very low109 Ų109135.5 Ų135.567%0.66978%0.775SS**  trans-164.6149.2171.3-14.30000106.2
481Y25.4Very low34Very low202 Ų202140.3 Ų140.379%0.79278%0.78SS**  cis-150169.814.7-179.6-114.8000110.6
482M32.8Very low35Very low157 Ų157139.8 Ų139.877%0.77378%0.779SS**  trans-146.9147.5-178-91.7-75.5166.600109.6
483P53.2Low34.9Very low111 Ų111140.4 Ų140.472%0.72179%0.787SS**  -147.9-176.887.237.9-19.3000113.5
484G36.9Very low34.2Very low68 Ų68138.5 Ų138.570%0.70178%0.781SS**  cis177.6168.3-0.500000107.5
485L37.2Very low34.1Very low169 Ų169139.5 Ų139.589%0.88578%0.782SS**  cis-157.5153.221.6-71.3164.9000111.6
486A31.5Very low34.4Very low94 Ų94136.6 Ų136.678%0.77778%0.78SS**  trans57.2150.3147.200000122.3
487S35.3Very low34.7Very low107 Ų107134.8 Ų134.875%0.74878%0.779SS**  cis-172.1162.4-19.2-95.80000111.5
488S32.4Very low34.6Very low121 Ų121135.4 Ų135.485%0.84678%0.781SS**  trans74.1149163.877.50000119.7
489M32.6Very low34.8Very low175 Ų175134 Ų13486%0.86278%0.781SS**  cis-164.6152.9-35-151.8-174.1166.900112.5
490T29.6Very low34.9Very low117 Ų117128 Ų12872%0.71877%0.769SS**  trans88.1151.1152.9-50.10000120.5
491Y27.1Very low35.2Very low220 Ų220131 Ų13186%0.86378%0.779SS**  trans-109.2-169.9-167-79.2-90.9000112.6
492P55.7Low35.6Very low111 Ų111126.7 Ų126.772%0.72177%0.774SS**  cis-131.7174.6-24.925-3.2000114.4
493N29.8Very low35.8Very low164 Ų164125.5 Ų125.588%0.87778%0.778SS**  159.8168.2109.4-153.4-3.4000111.5
494A32.3Very low35Very low77 Ų77124.7 Ų124.764%0.63678%0.775SS**  trans-118.2164.3-162.900000114.8
495S34.6Very low35Very low109 Ų109130.5 Ų130.576%0.76278%0.784SS**  165.8157.6104.956.60000115.1
496V36.1Very low34.8Very low123 Ų123131.3 Ų131.375%0.74579%0.785SS**  trans58.5122.6164.3-155.20000119.9
497P37Very low34.8Very low114 Ų114132.9 Ų132.974%0.7479%0.785SS**  trans-87.7134.4163.434.5-30.9000112.3
498V33.7Very low34.5Very low139 Ų139131.5 Ų131.584%0.84278%0.78SS**  trans-99.5120.4169.3172.10000109.7
499V34.8Very low34.5Very low140 Ų140133.3 Ų133.385%0.84878%0.78SS**  trans-106.197.7178.3176.90000110.5
500G36.1Very low34.5Very low60 Ų60129.6 Ų129.662%0.61978%0.778SS**  trans69.9155.5154.400000119.1
501I35.9Very low34.5Very low172 Ų172133.5 Ų133.588%0.88279%0.785SS**  trans-166.1144.1130.8-100.4157.5000108.7
502T33.2Very low34.5Very low113 Ų113128.8 Ų128.869%0.69378%0.783SS**  trans-76.7140-175.7-44.30000111.5S504T502-S504 VanDerWaalsContact C-N 3.3Å; T502-S504 PolarHBondContact O-N 3.28Å
503P36.3Very low33.4Very low132 Ų132130.3 Ų130.386%0.85779%0.791SS**  trans-75.577.3179.231.5-36.6000112.4
504S36.7Very low33.5Very low94 Ų94126.6 Ų126.666%0.65778%0.783SS**  trans-119.7112.3172.5-750000110.9T502T502-S504 VanDerWaalsContact C-N 3.3Å; T502-S504 PolarHBondContact O-N 3.28Å
505Q37.9Very low33.3Very low189 Ų189129.6 Ų129.688%0.88379%0.793SS**  trans7196.9166.7-53-175.311.900118.5
506M32.3Very low33Very low186 Ų186128.1 Ų128.192%0.91680%0.795SS**  trans-144.3140.2140.7-94.4-174.363.900108.9
507V31.6Very low32.7Very low127 Ų127127.3 Ų127.377%0.7780%0.795SS**  cis-154.6155.4-38.8103.90000107
508A30.1Very low32.3Very low78 Ų78127.1 Ų127.165%0.64580%0.797SS**  trans-94.8153.3175.400000112.1
509N31.9Very low32Very low159 Ų159123.9 Ų123.985%0.8579%0.791SS**  trans75.5121.9166.7-55.1-12.1000118.3
510A32.8Very low31.8Very low98 Ų98124.1 Ų124.181%0.8179%0.793SS**  trans-145.767.815500000110.6
511F28.6Very low31.3Very low198 Ų198124.2 Ų124.287%0.86879%0.794SS**SBendtrans-146.2146.4149.1-122-85.1000108.8
512C28.1Very low31.7Very low121 Ų121121.5 Ų121.582%0.81879%0.788SS**  trans69.381.6-178.4-59.60000117.4
513T31.9Very low31.6Very low144 Ų144122.4 Ų122.488%0.88379%0.793SS**  trans-60.3168.4143.448.50000111.4
514A31.1Very low31.2Very low86 Ų86124.9 Ų124.971%0.71180%0.795SS**  cis-144.3178.86.900000108.5
515T28.9Very low30.8Very low139 Ų139123.3 Ų123.385%0.85379%0.794SS**  cis-152.9170.746.746.80000113
516G29.1Very low30.5Very low78 Ų78120.4 Ų120.480%0.80480%0.795SS**  trans-72.2-166.7-174.100000116.7
517S28.1Very low30.4Very low107 Ų107115.9 Ų115.975%0.74879%0.787SS**  cis-160.815921.6171.20000111.9
518S29.3Very low30.2Very low110 Ų110114.9 Ų114.977%0.76979%0.792SS**  trans56.6130.3160.739.70000117.8
519G27.9Very low30.1Very low70 Ų70115 Ų11572%0.72280%0.801SS**  79.6119.253.700000109
520T29.8Very low29.9Very low145 Ų145110.7 Ų110.789%0.8979%0.794SS**  cis-151.3175.538550000113.8
521G24.9Very low29.7Very low63 Ų63112.1 Ų112.165%0.64980%0.798SS**  trans-102.1-153.2155.300000111.1
522P46.1Very low29.7Very low115 Ų115111.3 Ų111.375%0.74779%0.794SS**  cis-140.7-166.5-3.235.7-12.8000114.9
523T29.3Very low29.7Very low131 Ų131111.9 Ų111.980%0.80479%0.794SS**  trans72.2171.3163.2690000119.7
524M28.9Very low29.6Very low184 Ų184108.2 Ų108.291%0.90678%0.784SS**  176.8134.1-55.5-176.7-168.3-63.400108.9
525G29.1Very low30.3Very low61 Ų61110.1 Ų110.163%0.62979%0.79SS**  trans148.9128.8168.800000112.1
526S29.8Very low30.2Very low128 Ų128111.7 Ų111.790%0.89579%0.792SS**  85.3135.459.7-72.20000112.4
527A30.5Very low30.1Very low91 Ų91110.6 Ų110.675%0.75278%0.781SS**  cis-163.5178.4-3.200000111.7
528A28.8Very low30.1Very low107 Ų107111.9 Ų111.988%0.88478%0.784SS**  trans63.7154.9170.600000116.7
529G28Very low30.1Very low81 Ų81113.9 Ų113.984%0.83579%0.792SS**  cis109.9137.112.600000110.5
530G26.4Very low30Very low68 Ų68113.4 Ų113.470%0.70179%0.787SS**  cis168.6165.3-3.600000109.9
531S28.7Very low30Very low128 Ų128115.6 Ų115.690%0.89579%0.787SS**  trans69160.9178.9-65.90000117.3
532K28.5Very low30.2Very low180 Ų180119.9 Ų119.978%0.78379%0.789SS**  cis-171.6157.6-33.4-160.3-171.2179.5-179.10108.9
533V29.4Very low29.6Very low133 Ų133121.6 Ų121.681%0.80679%0.787SS**  trans62.9148.2167.8-54.80000120.7
534G29.6Very low29.4Very low67 Ų67120.5 Ų120.569%0.69179%0.785SS**  trans-101.3-163.6164.100000111.9
535P44.9Very low29.4Very low126 Ų126122.2 Ų122.282%0.81878%0.783SS**  -158.4-17364.244.3-23.6000118.3
536L27.6Very low30.5Very low172 Ų172125.5 Ų125.590%0.90179%0.793SS**  trans75136.7142.1-158.769.4000123.2
537G26.5Very low30.6Very low56 Ų56122.3 Ų122.358%0.57778%0.78SS**  trans92.6127.7156.300000116.5
538T28.5Very low31Very low133 Ų133123.1 Ų123.182%0.81679%0.787SS**  cis100.6110.629.559.10000115.6
539V28.1Very low31.1Very low152 Ų152122.8 Ų122.892%0.92178%0.784SS**  trans67.8144.1161.6-173.50000116.3
540G27Very low31.5Very low61 Ų61122.2 Ų122.263%0.62978%0.778SS**  cis155144.2-14.600000115.4
541H29.8Very low31.9Very low190 Ų190125.5 Ų125.588%0.8879%0.785SS**  trans68.7161.6159.2-91.384.6000122.2
542H29.6Very low32.1Very low153 Ų153124.7 Ų124.771%0.70878%0.779SS**  trans73.3142.8168.7-88.3-123.8000118.7
543H31.8Very low32.2Very low151 Ų151119.2 Ų119.270%0.69977%0.774SS**  cis-168.5174-15.8-142.7-120000114
544S26.6Very low32.5Very low108 Ų108121 Ų12176%0.75577%0.773SS**  trans100152.2148.6-63.50000123.1
545Y28.8Very low33.5Very low221 Ų221123.3 Ų123.387%0.86778%0.776SS**  trans-119.9173-167-109.5-74.8000110.1
546P52.5Low32.9Very low130 Ų130122 Ų12284%0.84477%0.77SS**  -145.4179.560.336.2-13.7000115.8
547G30.2Very low33.1Very low60 Ų60116.9 Ų116.962%0.61976%0.758SS**  cis165.6151.6-12.300000115.1
548A39.6Very low33.3Very low109 Ų109123.3 Ų123.390%0.90177%0.771SS**  trans61.3144.4168.300000119.8
549A31.8Very low33.4Very low100 Ų100123.7 Ų123.783%0.82677%0.768SS**  cis-108.4-1652.400000111.2
550G34.7Very low33.5Very low68 Ų68123.5 Ų123.570%0.70177%0.767SS**  cis104.4137.57.100000112.2
551T35.8Very low33.6Very low137 Ų137124.5 Ų124.584%0.8477%0.77SS**  cis-149.2-178.54.476.70000108.9
552S32.5Very low33.5Very low111 Ų111121 Ų12178%0.77676%0.762SS**  cis-159.1176.12.948.50000110
553G30.2Very low33.4Very low65 Ų65122.7 Ų122.767%0.6777%0.767SS**  trans53.8103.1153.100000119.3
554H35.6Very low33.1Very low170 Ų170120.3 Ų120.379%0.78777%0.768SS**  cis60.1149.531.9-91.2-86.1000115.3S556H554-S556 PolarHBondContact CE1-OG 3.13Å; H554-S556 PolarHBondContact ND1-OG 2.88Å
555P50.7Low33.2Very low117 Ų117119.9 Ų119.976%0.7677%0.765SS**  cis-109.2152.211.84.920.3000115.2
556S33.5Very low33.6Very low98 Ų98116 Ų11669%0.68576%0.764SS**  71.3140.275.2-46.10000115.6H554H554-S556 PolarHBondContact CE1-OG 3.13Å; H554-S556 PolarHBondContact ND1-OG 2.88Å
557G30.6Very low33.9Very low64 Ų64115.3 Ų115.366%0.6676%0.76SS**  cis162.4138.2-10.800000115.9
558F31.3Very low34.8Very low192 Ų192118.4 Ų118.484%0.84277%0.769SS**  trans64.9125151.9-61.7-73.3000124.8
559N31Very low34.5Very low140 Ų140121.1 Ų121.175%0.74977%0.768SS**  41.3133.3129.3-56.6-2000122.7
560T30Very low34.7Very low148 Ų148121.8 Ų121.891%0.90877%0.766SS**  -168.7176.1106.8-73.80000109.2
561A29.6Very low34.5Very low83 Ų83123.3 Ų123.369%0.68677%0.766SS**  trans-113.9-169.4-15800000116.1
562T27.4Very low34.5Very low117 Ų117121.9 Ų121.972%0.71876%0.762SS**  trans98.7124.7150.719.20000123
563F27.9Very low34.7Very low187 Ų187124 Ų12482%0.8276%0.763SS**  trans73.8133.2149.3-73.5-63000125.1
564S25.3Very low34.8Very low101 Ų101128.4 Ų128.471%0.70677%0.771SS**  trans74.7109.1142.4-72.90000123.7
565S28.2Very low34.4Very low100 Ų100123 Ų12370%0.69976%0.761SS**  57.5100.5110-49.70000122.3
566T36.7Very low33.4Very low138 Ų138125.8 Ų125.885%0.84777%0.769SS**  trans68.6154.713545.90000121
567P59.6Low34.9Very low116 Ų116126.7 Ų126.775%0.75377%0.772SS**  trans-110.5178.4-160.743-35.9000114.9
568P50Low36.3Very low125 Ų125127.8 Ų127.881%0.81277%0.768SS**  trans-121.4164.7149.237.2-27.1000114.1
569L32.6Very low36.5Very low167 Ų167126.9 Ų126.987%0.87477%0.766SS**  trans-83.2159.5173.4-64.7156.3000110.4
570S34.8Very low36.8Very low114 Ų114124.8 Ų124.880%0.79776%0.762SS**  179.6-178.980.1-55.30000108.9
571S32Very low37Very low100 Ų100125 Ų12570%0.69976%0.764SS**  cis-167.2137.819.348.60000113.8
572S35.7Very low37.4Very low107 Ų107125.9 Ų125.975%0.74877%0.771SS**  trans58.7158.5145.165.20000120.2
573I35.7Very low38Very low155 Ų155125.2 Ų125.280%0.79578%0.777SS**  cis-154.7178.211-152.482.1000107.1
574N32.3Very low38.4Very low158 Ų158120.4 Ų120.485%0.84577%0.772SS**  cis-160.3175.11.2-162.75.6000110.3
575G26.8Very low38.9Very low57 Ų57124.1 Ų124.159%0.58878%0.78SS**  trans117.4123.3150.800000117.9
576L31.1Very low39.1Very low174 Ų174125 Ų12591%0.91178%0.777SS**  trans-148.7-157.2177.5-72.6177.1000111.3
577P64.3Low39Very low117 Ų117126 Ų12676%0.7678%0.777SS**  -114.9-140.7-102.540.9-20.7000111.1
578P60.2Low37.8Very low88 Ų88127.8 Ų127.857%0.57178%0.775SS**  cis-139.7-172.8-17.741.8-23000116.8
579H35.7Very low36.9Very low172 Ų172129.3 Ų129.380%0.79678%0.776SS**  trans68.8164.3147.2-67.4-29.2000121
580S38Very low36.9Very low96 Ų96124 Ų12467%0.67176%0.761SS**  cis-173.8145.8-31.7-89.20000111.7
581T33.2Very low37Very low153 Ų153124.4 Ų124.494%0.93976%0.759SS**  trans-153.7152.5160.4-80000112.9
582A38.7Very low37Very low102 Ų102124.3 Ų124.384%0.84376%0.759SS**  trans-162.3159.7179.900000113.7
583A38.5Very low36.8Very low102 Ų102125.8 Ų125.884%0.84376%0.763SS**  trans-173.6145.416200000108.3
584A37.1Very low36.6Very low86 Ų86123.6 Ų123.671%0.71176%0.761SS**  cis-160.8-171.3-11.800000106.7
585M36.3Very low36.4Very low180 Ų180119.9 Ų119.989%0.88776%0.76SS**  cis-146.8147.813.5-63179.8-179.700112.9
586N32.3Very low36.5Very low117 Ų117121 Ų12163%0.62677%0.771SS**  trans16.4122143-156.335.5000123.1Q588N586-Q588 PolarHBondContact OD1-OE1 2.71Å
587L34Very low36.5Very low160 Ų160118.8 Ų118.884%0.83877%0.77SS**  -173.4146.9106.1-99.7167.2000113.1
588Q34.5Very low34.7Very low153 Ų153116.9 Ų116.972%0.71577%0.773SS**  trans-96.5148.2-172.5-75.384.5-9.100116N586N586-Q588 PolarHBondContact OD1-OE1 2.71Å
589N31.2Very low33.2Very low158 Ų158121.9 Ų121.985%0.84579%0.788SS**  -171.9153.1108.7-137.220.8000108.1
590G33.6Very low32.8Very low54 Ų54119.4 Ų119.456%0.55779%0.79SS**  cis102.8124.12300000110.4
591T36Very low32.6Very low124 Ų124125.9 Ų125.976%0.76180%0.8SS**  cis-163.1134-0.2-27.60000112.2
592S32.7Very low33.4Very low98 Ų98123.9 Ų123.969%0.68579%0.79SS**  trans65.3157.713365.10000126.7
593V31.7Very low33.9Very low138 Ų138124.9 Ų124.984%0.83679%0.787SS**  trans81.4140.5159.1-1760000117.6
594S31.1Very low33.6Very low109 Ų109128.7 Ų128.776%0.76279%0.788SS**  cis-173.4133.5-34.7-174.80000111.2
595G28.4Very low33.3Very low80 Ų80128.4 Ų128.483%0.82579%0.793SS**  trans67.6163.614800000120.2
596G28Very low33.2Very low79 Ų79124.7 Ų124.781%0.81479%0.785SS**  trans135.977.2167.800000116.4
597S30.2Very low33.1Very low128 Ų128128.5 Ų128.590%0.89580%0.799SS**  trans-53.5147.1165.948.60000114.4
598G28.3Very low33.1Very low78 Ų78128.5 Ų128.580%0.80480%0.799SS**  trans-176117.3170.600000115
599E28.1Very low32.8Very low193 Ų193127.4 Ų127.490%0.90280%0.803SS**  trans-74.3160.9-170.3-59.9157.3106.700116.9
600S27.8Very low33Very low119 Ų119124.2 Ų124.283%0.83280%0.799SS**  trans83.8162.2143.7-146.50000121.8
601W33.5Very low33.5Very low232 Ų232127.7 Ų127.788%0.87981%0.811SS**  trans-88.5169.6179.3-69.679.8000112.2
602P49.7Very low33.2Very low111 Ų111125.3 Ų125.372%0.72181%0.812SS**  -141.9-159.7108.543.1-27.9000112.6
603P50Low33.2Very low123 Ų123128.1 Ų128.180%0.79982%0.824SS**  -133-159.8-94.242.9-23.1000115.3
604E32.1Very low33.2Very low182 Ų182126.4 Ų126.485%0.8582%0.818SS**  trans-73.9165.1-168.7-59.3169.188.800117.3
605G30.4Very low33.6Very low80 Ų80128.7 Ų128.783%0.82582%0.822SS**  trans-161.1111.5164.800000112.1
606S33.6Very low34.2Very low102 Ų102128.7 Ų128.771%0.71381%0.809SS**  trans-103.6142.7-162.5-61.30000115.6
607Q30.5Very low34.9Very low198 Ų198132.6 Ų132.693%0.92581%0.806SS**  trans-156.1159.2135.3-121.3175.186.600112.9
608L33.3Very low35.5Very low160 Ų160131.8 Ų131.884%0.83879%0.792SS**  trans-116.2152.8-172.2-68.5160.7000110.7
609T28.8Very low36.2Very low130 Ų130134.4 Ų134.480%0.79879%0.788SS**  164.5112.2119-70.30000114
610A34.8Very low37.3Very low91 Ų91130.7 Ų130.775%0.75277%0.774SS**  trans62.4163.2145.200000121.3
611P45.2Very low38.3Very low127 Ų127133.9 Ų133.983%0.82577%0.768SS**  trans-132.6156.8-15341.5-25.4000118.6
612G29.9Very low38.9Very low74 Ų74130.1 Ų130.176%0.76376%0.758SS**  trans99.7131.9131.200000119.1
613V31.4Very low38.8Very low157 Ų157132 Ų13295%0.95276%0.757SS**  trans-147.9166.9155.4-118.30000110.2
614S33.1Very low38.9Very low102 Ų102129.2 Ų129.271%0.71374%0.744SS**  trans-82.2151.7-166.6-57.90000115.2S616S614-S616 PolarHBondContact O-N 3.16Å
615D37.8Very low39.6Very low156 Ų156128.4 Ų128.483%0.83474%0.738SS**SBendtrans-73.898.8167-158.7-48.9000109.4
616S42.4Very low40.2Very low80 Ų80131.7 Ų131.756%0.55973%0.726SS**  trans-159.125.1-177.3-54.70000112.6S614S614-S616 PolarHBondContact O-N 3.16Å
617Q42.3Very low40.8Very low161 Ų161129.6 Ų129.675%0.75271%0.714SS**  trans-114.5-9.6-165.3-160.2172.8-6.500114.9
618D42.9Very low41.5Very low112 Ų112123.4 Ų123.460%0.59970%0.697SS**Hα-helixtrans-89.1-27179.4-84.7-67.2000114.1R621 F622D618-R621 PolarHBondContact O-N 3.05Å; D618-F622 PolarHBondContact O-N 3.23Å
619D43.8Very low42Very low133 Ų133122 Ų12271%0.71169%0.69SS**Hα-helixtrans-67.3-51.8176.1-72-67000111.7R621 F622 E623D619-R621 PolarHBondContact O-N 2.91Å; D619-R621 VanDerWaalsContact O-N 3.14Å; D619-F622 PolarHBondContact O-N 3.19Å; D619-E623 PolarHBondContact O-N 2.88Å
620D49.3Very low42.8Very low115 Ų115123 Ų12362%0.61569%0.686SS**Hα-helixtrans-50.9-37.9171.4-88.6-83.5000112.1F622 E623 A624D620-F622 VanDerWaalsContact C-N 3.28Å; D620-F622 PolarHBondContact O-N 2.6Å; D620-E623 PolarHBondContact O-N 3.29Å; D620-A624 WeakPolarHBondContact O-CB 3.45Å; D620-A624 PolarHBondContact O-N 3.17Å
621R49.7Very low43.2Very low185 Ų185124.2 Ų124.270%0.69868%0.684SS**Hα-helixtrans-71.7-21.3-179.1-165.8172.9-174-127.71.7113.1D618 D619D618-R621 PolarHBondContact O-N 3.05Å; D619-R621 PolarHBondContact O-N 2.91Å; D619-R621 VanDerWaalsContact O-N 3.14Å
622F45.5Very low42.9Very low154 Ų154127.2 Ų127.268%0.67568%0.684SS**Hα-helixtrans-87.5-42.6172-157.7-92.5000111.4D618 D619 D620 K625 W626D618-F622 PolarHBondContact O-N 3.23Å; D619-F622 PolarHBondContact O-N 3.19Å; D620-F622 VanDerWaalsContact C-N 3.28Å; D620-F622 PolarHBondContact O-N 2.6Å; F622-K625 WeakPolarHBondContact O-CB 3.39Å; F622-K625 PolarHBondContact O-N 3.21Å; F622-K625 VanDerWaalsContact O-N 3.16Å; F622-W626 PolarHBondContact O-N 3.35Å
623E49.1Very low43Very low149 Ų149127 Ų12770%0.69668%0.681SS**Hα-helixtrans-68.4-43.1-178-140.9171.3-169.700112.2D619 D620 K625 W626 A627D619-E623 PolarHBondContact O-N 2.88Å; D620-E623 PolarHBondContact O-N 3.29Å; E623-K625 PolarHBondContact O-N 3.5Å; E623-K625 VanDerWaalsContact O-N 3.15Å; E623-W626 WeakPolarHBondContact O-CB 3.13Å; E623-W626 PolarHBondContact O-N 3.05Å; E623-A627 PolarHBondContact O-N 3.36Å; E623-A627 VanDerWaalsContact O-N 3.11Å
624A50.4Low43.1Very low65 Ų65124.3 Ų124.354%0.53768%0.675SS.*Hα-helixtrans-59.7-26.3172.400000113D620 A628D620-A624 WeakPolarHBondContact O-CB 3.45Å; D620-A624 PolarHBondContact O-N 3.17Å; A624-A628 WeakPolarHBondContact O-CB 3.44Å; A624-A628 PolarHBondContact O-N 3.26Å
625K46.8Very low43.1Very low165 Ų165126.2 Ų126.272%0.71768%0.683SS**Hα-helixtrans-80.4-21.4178.3-150.2176.4-174-176.60112.9F622 E623F622-K625 WeakPolarHBondContact O-CB 3.39Å; F622-K625 PolarHBondContact O-N 3.21Å; F622-K625 VanDerWaalsContact O-N 3.16Å; E623-K625 PolarHBondContact O-N 3.5Å; E623-K625 VanDerWaalsContact O-N 3.15Å
626W42.9Very low42.9Very low150 Ų150126.7 Ų126.757%0.56868%0.68SS**Hα-helixtrans-76.3-48.8167.8-128.1120.1000110.4F622 E623 A628 L629 E630F622-W626 PolarHBondContact O-N 3.35Å; E623-W626 WeakPolarHBondContact O-CB 3.13Å; E623-W626 PolarHBondContact O-N 3.05Å; W626-A628 PolarHBondContact O-N 3.38Å; W626-L629 WeakPolarHBondContact O-CB 3.48Å; W626-L629 PolarHBondContact O-N 3.5Å; W626-E630 HydrophobicContact CE3-CG 3.85Å; W626-E630 HydrophobicContact CZ3-CG 3.62Å
627A46.3Very low42.7Very low57 Ų57128.8 Ų128.847%0.47169%0.692SS.*Hα-helixtrans-58.4-32.117900000113.4E623 L629 T631E623-A627 PolarHBondContact O-N 3.36Å; E623-A627 VanDerWaalsContact O-N 3.11Å; A627-L629 PolarHBondContact O-N 2.93Å; A627-T631 PolarHBondContact O-OG1 2.85Å
628A45.9Very low42.2Very low68 Ų68127 Ų12756%0.56269%0.692SS**Hα-helixtrans-70.9-10.4174.100000114.8A624 W626A624-A628 WeakPolarHBondContact O-CB 3.44Å; A624-A628 PolarHBondContact O-N 3.26Å; W626-A628 PolarHBondContact O-N 3.38Å
629L43.2Very low41.6Very low131 Ų131125.3 Ų125.369%0.68670%0.701SS**Hα-helixtrans-96.5-29-179.3-162.366.8000112.8W626 A627W626-L629 WeakPolarHBondContact O-CB 3.48Å; W626-L629 PolarHBondContact O-N 3.5Å; A627-L629 PolarHBondContact O-N 2.93Å
630E45.3Very low41.1Very low152 Ų152126.7 Ų126.771%0.7171%0.708SS**Hα-helixtrans-81.3-15.3178.9-61.4-166.4118.400113.6W626W626-E630 HydrophobicContact CE3-CG 3.85Å; W626-E630 HydrophobicContact CZ3-CG 3.62Å
631T45.2Very low40.3Very low116 Ų116131.6 Ų131.671%0.71272%0.724SS**THydrogen-bonded Turntrans-98.713.9-166.842.20000115.3A627A627-T631 PolarHBondContact O-OG1 2.85Å
632K37.7Very low39.5Very low190 Ų190127.1 Ų127.183%0.82673%0.727SS**  trans-118.265.5-177.8-159.3163.6-174.2171.20115.2
633G32.4Very low39.5Very low69 Ų69125.4 Ų125.471%0.71173%0.732SS**  trans-74.3124.7162.100000112.3
634A34.3Very low38.6Very low100 Ų100123 Ų12383%0.82674%0.737SS**  trans31.4111.616100000120.1
635T32.1Very low37.7Very low143 Ų143124.3 Ų124.388%0.87775%0.748SS**  trans-147.2134144.6-29.70000110
636Q34.2Very low37.1Very low165 Ų165122.7 Ų122.777%0.77175%0.752SS**  trans-94150.8-178.5-167.2-176.913.700110.6
637P38Very low36.7Very low124 Ų124120.2 Ų120.281%0.80576%0.764SS**  -135169.3126.137.2-27.8000113.6
638T32.3Very low36.2Very low124 Ų124124.7 Ų124.776%0.76178%0.779SS**  trans-100.4142.2-172.250.20000113.2
639G29.9Very low36Very low76 Ų76126 Ų12678%0.78478%0.783SS**  trans177.483.9173.100000118.5
640N32.1Very low35.4Very low162 Ų162129.9 Ų129.987%0.86679%0.794SS**  trans19.8134.3153.8-64.1-11.9000124.2
641K32.6Very low34.9Very low218 Ų218128 Ų12895%0.94880%0.798SS**  trans78.2152.5156.3-77.4-174.2173-178.40119.5
642A32.7Very low34.3Very low92 Ų92129.9 Ų129.976%0.7680%0.803SS**  trans-118-172.7-165.700000110.2
643P47.1Very low34.1Very low118 Ų118125.7 Ų125.777%0.76680%0.798SS**  cis-146.8179.821.644.8-24.3000119.5
644A29.6Very low34.6Very low98 Ų98130.3 Ų130.381%0.8181%0.806SS**  trans61.7123.8145.600000123
645A31.3Very low34.6Very low92 Ų92135 Ų13576%0.7681%0.81SS**  -174.9151120.700000113.6
646T34.3Very low34.8Very low131 Ų131137.7 Ų137.780%0.80481%0.81SS**  trans5.2120.5161.154.90000119.8
647A34.8Very low35Very low99 Ų99134.8 Ų134.882%0.81880%0.804SS**  80.212660.800000114.6
648N34.8Very low34.8Very low150 Ų150138.6 Ų138.680%0.80281%0.808SS**  trans-112.4120.5-168.3-173.622.3000111.4
649P42.5Very low34.9Very low97 Ų97140.2 Ų140.263%0.6381%0.807SS**  trans-81.1153.3-179.632.6-34000112.8
650F31.2Very low35.5Very low211 Ų211144.4 Ų144.493%0.92581%0.81SS**  trans80.653.1-177.2-54.7-68.5000117.7
651S33.2Very low36.1Very low113 Ų113145 Ų14579%0.7981%0.807SS**  trans-102.7120.8142.453.20000109.4
652N32.8Very low36.5Very low155 Ų155146.1 Ų146.183%0.82982%0.822SS**  trans-105.4118.3172.8-170.7-16.3000108.3
653S34.3Very low36.7Very low102 Ų102148.9 Ų148.971%0.71383%0.826SS**  trans-113.2121.6-174.7590000111.1
654L41.8Very low36.2Very low167 Ų167150.5 Ų150.587%0.87483%0.829SS**  trans-140.872167.4-78.7-178.9000110.3
655Q34.8Very low36.5Very low197 Ų197153.4 Ų153.492%0.92183%0.83SS**  trans-124.9133.8147.5-71.5-162.5-14.500108.1
656K37.6Very low36.8Very low200 Ų200157 Ų15787%0.8783%0.834SS**  trans-106.6129.1-165-166.6175.4-175.8179.50109.2
657T38.4Very low37Very low105 Ų105158.6 Ų158.664%0.64484%0.836SS**  trans-49.7136.3178.6-45.30000112.2E659T657-E659 HydrophobicContact CG2-CB 4.13Å
658F32.7Very low37.1Very low203 Ų203162.6 Ų162.689%0.8984%0.837SS**  trans-138.8120.1134.3-93.8-69.2000109.5
659E33.8Very low37.3Very low158 Ų158163.5 Ų163.574%0.73884%0.839SS**  trans-114134.8-179.8171.2175.5-136.800106.4T657T657-E659 HydrophobicContact CG2-CB 4.13Å
660I42.5Very low36.9Very low164 Ų164168.6 Ų168.684%0.84186%0.855SS**  trans-140.6109.9169.2-57.3-179.4000106.4
661E44.9Very low37.4Very low174 Ų174165.1 Ų165.181%0.81385%0.85SS**  trans-107.9124.5165.4179.4177.5-156.800108.2
662L41.9Very low37.8Very low243 Ų243169.8 Ų169.8100%1.27286%0.855SS**  trans-178.70149.8-100.9167.4000109.5

Retrieved 662 of 662 residues in 801 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).