A0A087XT65_POEFO Loading...

Shisa family member 2

AlphaFold DB , UniProt , Accession A0A087XT65, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 289 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.1Very low55Low249 Ų249119.5 Ų119.5100%1.22771%0.706SS**  0153.70-73.6120.8156.600109.9G3M1-G3 PolarHBondContact O-N 3.36Å
2R48.8Very low56.8Low255 Ų255117.3 Ų117.396%0.96270%0.695SS**  trans-85.8103.3178.4-103.6180168.5179.8-3.8110.8G4R2-G4 PolarHBondContact O-N 3.07Å; R2-G4 VanDerWaalsContact O-N 3.13Å
3G43.5Very low58.2Low81 Ų81113.5 Ų113.584%0.83567%0.673SS**  trans-81.873.6173.600000112.6M1 G5M1-G3 PolarHBondContact O-N 3.36Å; G3-G5 VanDerWaalsContact C-N 3.29Å; G3-G5 PolarHBondContact O-N 3Å
4G51.4Low59.3Low62 Ų62113.6 Ų113.664%0.63967%0.665SS**  trans-74.665.6-175.300000114.8R2 F6 P7R2-G4 PolarHBondContact O-N 3.07Å; R2-G4 VanDerWaalsContact O-N 3.13Å; G4-F6 PolarHBondContact O-N 3.29Å; G4-P7 WeakPolarHBondContact O-CD 3.18Å
5G50.8Low60.2Low74 Ų74111.3 Ų111.376%0.76365%0.654SS**  trans-73.530.4-176.300000116.8G3G3-G5 VanDerWaalsContact C-N 3.29Å; G3-G5 PolarHBondContact O-N 3Å
6F54.3Low60.8Low143 Ų143110.7 Ų110.763%0.62765%0.646SS**  trans-119.3-11.2-173.5-88.4-89.4000119G4G4-F6 PolarHBondContact O-N 3.29Å
7P56.8Low61.2Low72 Ų72109.5 Ų109.547%0.46864%0.636SS.*Hα-helixtrans-68.7-53.5-177.726.7-31.9000111.5G4 S9 V10 S11G4-P7 WeakPolarHBondContact O-CD 3.18Å; P7-S9 PolarHBondContact O-N 3.5Å; P7-S9 VanDerWaalsContact O-N 3.15Å; P7-V10 PolarHBondContact O-N 3.47Å; P7-S11 WeakPolarHBondContact O-CB 3.31Å; P7-S11 PolarHBondContact O-N 3.4Å; P7-S11 PolarHBondContact O-OG 3.29Å
8M59.1Low61.6Low148 Ų148109.2 Ų109.273%0.72963%0.63SS**Hα-helixtrans-53.5-46-165-56.7-53.4-122.400114.5V10 V12M8-V10 PolarHBondContact O-N 3.33Å; M8-V12 VanDerWaalsContact O-CB 3.3Å; M8-V12 WeakPolarHBondContact O-CB 3.19Å; M8-V12 WeakPolarHBondContact O-CG2 3.34Å; M8-V12 PolarHBondContact O-N 2.92Å
9S62.5Low61.7Low75 Ų75109.3 Ų109.352%0.52463%0.633SS.*Hα-helixtrans-70.1-33.1-178.5-172.20000113.2P7 V13P7-S9 PolarHBondContact O-N 3.5Å; P7-S9 VanDerWaalsContact O-N 3.15Å; S9-V13 WeakPolarHBondContact O-CG2 3.45Å; S9-V13 PolarHBondContact O-N 2.95Å
10V69.1Low61.8Low94 Ų94108.8 Ų108.857%0.5763%0.631SS**Hα-helixtrans-78.6-44.3177.4-179.30000109.3P7 M8 V12 V13 M14P7-V10 PolarHBondContact O-N 3.47Å; M8-V10 PolarHBondContact O-N 3.33Å; V10-V12 VanDerWaalsContact C-N 3.35Å; V10-V12 PolarHBondContact O-N 3.11Å; V10-V13 PolarHBondContact O-N 2.9Å; V10-M14 VanDerWaalsContact O-CB 3.23Å; V10-M14 WeakPolarHBondContact O-CB 3.49Å; V10-M14 PolarHBondContact O-N 2.04Å
11S69Low61.8Low61 Ų61109.5 Ų109.543%0.42763%0.631SS.*Hα-helixtrans-58.4-41.9174.6-63.20000112.4P7 M14 T15P7-S11 WeakPolarHBondContact O-CB 3.31Å; P7-S11 PolarHBondContact O-N 3.4Å; P7-S11 PolarHBondContact O-OG 3.29Å; S11-M14 PolarHBondContact O-N 2.93Å; S11-T15 WeakPolarHBondContact O-CG2 3.3Å; S11-T15 PolarHBondContact O-N 3.06Å; S11-T15 PolarHBondContact O-OG1 2.81Å
12V76.3Confident62.3Low93 Ų93103.8 Ų103.856%0.56461%0.606SS**Hα-helixtrans-68-41.2176.9166.90000112.1M8 V10 M14 T15 L16M8-V12 VanDerWaalsContact O-CB 3.3Å; M8-V12 WeakPolarHBondContact O-CB 3.19Å; M8-V12 WeakPolarHBondContact O-CG2 3.34Å; M8-V12 PolarHBondContact O-N 2.92Å; V10-V12 VanDerWaalsContact C-N 3.35Å; V10-V12 PolarHBondContact O-N 3.11Å; V12-M14 VanDerWaalsContact C-N 3.33Å; V12-T15 PolarHBondContact O-OG1 3.12Å; V12-L16 VanDerWaalsContact O-CB 3.23Å; V12-L16 WeakPolarHBondContact O-CB 3.44Å; V12-L16 PolarHBondContact O-N 2.88Å
13V75.3Confident62.7Low68 Ų6897.1 Ų97.141%0.41259%0.593SS.*Hα-helixtrans-66.6-38.1174.3171.10000110.8S9 V10 L17S9-V13 WeakPolarHBondContact O-CG2 3.45Å; S9-V13 PolarHBondContact O-N 2.95Å; V10-V13 PolarHBondContact O-N 2.9Å; V13-L17 HydrophobicContact CG1-CD1 4.02Å; V13-L17 WeakPolarHBondContact O-CB 3.3Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.06Å; V13-L17 PolarHBondContact O-N 2.96Å
14M73.3Confident63.5Low115 Ų115100.9 Ų100.957%0.56759%0.587SS**Hα-helixtrans-69.6-41.1178.2-158.974.4138.600112.2V10 S11 V12 L17 L18V10-M14 VanDerWaalsContact O-CB 3.23Å; V10-M14 WeakPolarHBondContact O-CB 3.49Å; V10-M14 PolarHBondContact O-N 2.04Å; S11-M14 PolarHBondContact O-N 2.93Å; V12-M14 VanDerWaalsContact C-N 3.33Å; M14-L17 PolarHBondContact O-N 3.45Å; M14-L18 HydrophobicContact CG-CD1 4.27Å; M14-L18 WeakPolarHBondContact O-CB 3.46Å; M14-L18 WeakPolarHBondContact O-CG 3.06Å; M14-L18 PolarHBondContact O-N 3.35Å
15T72.9Confident64Low80 Ų80101.1 Ų101.149%0.49158%0.582SS.*Hα-helixtrans-72.3-34.6174.653.70000111.8S11 V12 L17 L18 V19S11-T15 WeakPolarHBondContact O-CG2 3.3Å; S11-T15 PolarHBondContact O-N 3.06Å; S11-T15 PolarHBondContact O-OG1 2.81Å; V12-T15 PolarHBondContact O-OG1 3.12Å; T15-L17 VanDerWaalsContact C-N 3.35Å; T15-L18 PolarHBondContact O-N 2.89Å; T15-V19 VanDerWaalsContact O-CB 3.31Å; T15-V19 WeakPolarHBondContact O-CB 3.03Å; T15-V19 VanDerWaalsContact O-CG2 3.23Å; T15-V19 WeakPolarHBondContact O-CG2 3.16Å; T15-V19 PolarHBondContact O-N 2.04Å
16L69.5Low65.2Low101 Ų101102 Ų10253%0.52958%0.577SS.*Hα-helixtrans-62.4-43.7171.5-165.280000110.9V12 V20V12-L16 VanDerWaalsContact O-CB 3.23Å; V12-L16 WeakPolarHBondContact O-CB 3.44Å; V12-L16 PolarHBondContact O-N 2.88Å; L16-V20 WeakPolarHBondContact O-CB 3.4Å; L16-V20 VanDerWaalsContact O-CG2 3.24Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 3.48Å
17L68.4Low66.9Low91 Ų9195.8 Ų95.848%0.47655%0.553SS.*Hα-helixtrans-60.6-49172.9-78.4164.9000111.6V13 M14 T15 V19 V20 I21V13-L17 HydrophobicContact CG1-CD1 4.02Å; V13-L17 WeakPolarHBondContact O-CB 3.3Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.06Å; V13-L17 PolarHBondContact O-N 2.96Å; M14-L17 PolarHBondContact O-N 3.45Å; T15-L17 VanDerWaalsContact C-N 3.35Å; L17-V19 PolarHBondContact O-N 3.03Å; L17-V20 CarbonylContact O-C 3.46Å; L17-V20 PolarHBondContact O-N 2.95Å; L17-V20 VanDerWaalsContact O-N 3.15Å; L17-I21 WeakPolarHBondContact O-CD1 3.09Å; L17-I21 WeakPolarHBondContact O-CG1 3.22Å; L17-I21 PolarHBondContact O-N 2.63Å
18L67.1Low68.8Low103 Ų10394.8 Ų94.854%0.53954%0.543SS..Hα-helixtrans-63.9-39-179.7-71.7166.2000112.6M14 T15 V20 I21 D22M14-L18 HydrophobicContact CG-CD1 4.27Å; M14-L18 WeakPolarHBondContact O-CB 3.46Å; M14-L18 WeakPolarHBondContact O-CG 3.06Å; M14-L18 PolarHBondContact O-N 3.35Å; T15-L18 PolarHBondContact O-N 2.89Å; L18-V20 VanDerWaalsContact C-N 3.3Å; L18-V20 PolarHBondContact O-N 3.36Å; L18-I21 CarbonylContact O-C 3.57Å; L18-I21 PolarHBondContact O-N 2.81Å; L18-I21 VanDerWaalsContact O-N 3.13Å; L18-D22 PolarHBondContact O-N 2.86Å
19V65.1Low70.5Confident111 Ų11192.6 Ų92.667%0.67353%0.527SS*.Hα-helixtrans-69.3-27.4174.6170.20000112.1T15 L17T15-V19 VanDerWaalsContact O-CB 3.31Å; T15-V19 WeakPolarHBondContact O-CB 3.03Å; T15-V19 VanDerWaalsContact O-CG2 3.23Å; T15-V19 WeakPolarHBondContact O-CG2 3.16Å; T15-V19 PolarHBondContact O-N 2.04Å; L17-V19 PolarHBondContact O-N 3.03Å
20V62.6Low72.1Confident100 Ų10089 Ų8961%0.60650%0.502SS*.Hα-helixtrans-81.1-18.7170.9170.30000112.3L16 L17 L18L16-V20 WeakPolarHBondContact O-CB 3.4Å; L16-V20 VanDerWaalsContact O-CG2 3.24Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 3.48Å; L17-V20 CarbonylContact O-C 3.46Å; L17-V20 PolarHBondContact O-N 2.95Å; L17-V20 VanDerWaalsContact O-N 3.15Å; L18-V20 VanDerWaalsContact C-N 3.3Å; L18-V20 PolarHBondContact O-N 3.36Å
21I61.3Low73.4Confident123 Ų12389.3 Ų89.363%0.63150%0.497SS*.Hα-helixtrans-84.8-25.9172.2-67.9159.5000111.1L17 L18 V23L17-I21 WeakPolarHBondContact O-CD1 3.09Å; L17-I21 WeakPolarHBondContact O-CG1 3.22Å; L17-I21 PolarHBondContact O-N 2.63Å; L18-I21 CarbonylContact O-C 3.57Å; L18-I21 PolarHBondContact O-N 2.81Å; L18-I21 VanDerWaalsContact O-N 3.13Å; I21-V23 PolarHBondContact O-N 2.82Å
22D52Low74.7Confident129 Ų12986.9 Ų86.969%0.6948%0.481SS*.  trans-74.443.9168.8-146.2-32.7000112.4L18 K24L18-D22 PolarHBondContact O-N 2.86Å; D22-K24 PolarHBondContact O-N 3.33Å
23V57.3Low75.7Confident116 Ų11683.3 Ų83.370%0.70346%0.458SS*.  trans-68.193.3151.7175.60000105.3I21 A25I21-V23 PolarHBondContact O-N 2.82Å; V23-A25 PolarHBondContact O-N 2.93Å
24K59.1Low76.7Confident160 Ų16084.9 Ų84.970%0.69646%0.456SS*.  trans-54.9107.1168.3-176.3169.8-178.770.30107.3D22 S26D22-K24 PolarHBondContact O-N 3.33Å; K24-S26 PolarHBondContact O-N 3.38Å
25A61.7Low77.7Confident66 Ų6680.3 Ų80.355%0.54543%0.434SS..  trans-6498.6-17900000108.1V23 G27V23-A25 PolarHBondContact O-N 2.93Å; A25-G27 PolarHBondContact O-N 3.22Å
26S76Confident78.6Confident93 Ų9380.9 Ų80.965%0.6544%0.441SS*.  trans-58.3126.1166-164.80000106.5K24 Q45K24-S26 PolarHBondContact O-N 3.38Å; S26-Q45 PolarHBondContact OG-NE2 3.47Å
27G91.1Very high79.8Confident13 Ų1384.2 Ų84.213%0.13445%0.454CS..  trans-66.6-176.5179.800000111.9A25 Q45 C46 I56A25-G27 PolarHBondContact O-N 3.22Å; G27-Q45 VanDerWaalsContact C-NE2 3.31Å; G27-Q45 PolarHBondContact O-NE2 2.04Å; G27-C46 VanDerWaalsContact CA-O 3.24Å; G27-C46 WeakPolarHBondContact CA-O 3.45Å; G27-C46 PolarHBondContact N-O 2.81Å; G27-I56 CarbonylContact C-O 3.16Å; G27-I56 WeakPolarHBondContact CA-O 3.06Å
28E95.8Very high80.8Confident51 Ų5181.5 Ų81.524%0.23845%0.449CS..  trans-67.6146.7173.6-58-167.9131.100110.9C46 I56 I57 C58 R74E28-C46 VanDerWaalsContact O-CB 3.28Å; E28-C46 WeakPolarHBondContact O-CB 3.25Å; E28-C46 PolarHBondContact O-N 2.84Å; E28-I56 PolarHBondContact N-O 3.2Å; E28-I57 VanDerWaalsContact OE2-CG2 3.3Å; E28-I57 WeakPolarHBondContact OE2-CG2 3.3Å; E28-C58 HydrophobicContact CB-CB 3.96Å; E28-C58 PolarHBondContact OE2-N 2.9Å; E28-R74 IonicContact OE1-CZ 3.14Å; E28-R74 IonicContact OE1-NE 2.82Å; E28-R74 PolarHBondContact OE1-NE 2.86Å; E28-R74 IonicContact OE1-NH2 2.65Å; E28-R74 PolarHBondContact OE1-NH2 3.44Å; E28-R74 IonicContact OE2-NE 3.33Å; E28-R74 PolarHBondContact OE2-NE 2.84Å
29Y95.9Very high82.1Confident101 Ų10178.6 Ų78.640%0.39644%0.439SS..EExtended strand (participates in β ladder)trans-88118.9167.7-175-104.9000108.3H31 G43 F44 Q45 Q77Y29-H31 AromaticContact CD1-ND1 3.85Å; Y29-H31 AromaticContact CE1-ND1 3.99Å; Y29-H31 PolarHBondContact O-N 2.8Å; Y29-G43 VanDerWaalsContact OH-CA 3.3Å; Y29-G43 WeakPolarHBondContact OH-CA 3.26Å; Y29-G43 PolarHBondContact OH-O 2.94Å; Y29-F44 VanDerWaalsContact CD2-O 3.27Å; Y29-F44 WeakPolarHBondContact CD2-O 3.41Å; Y29-Q45 HydrophobicContact CD2-CB 4.14Å; Y29-Q77 PolarHBondContact O-NE2 3Å
30C96.4Very high83.5Confident0 Ų076.3 Ų76.30%042%0.419CS..EExtended strand (participates in β ladder)trans-76.4109.6165.7-74.60000108G43 F44 C58 R65C30-G43 CarbonylContact O-C 3.5Å; C30-G43 WeakPolarHBondContact O-CA 3.39Å; C30-F44 HydrophobicContact CB-CD1 4.29Å; C30-F44 HydrophobicContact CB-CD2 3.93Å; C30-F44 HydrophobicContact CB-CE1 3.92Å; C30-F44 HydrophobicContact CB-CE2 3.49Å; C30-F44 VanDerWaalsContact CB-CE2 3.49Å; C30-F44 HydrophobicContact CB-CG 4.3Å; C30-F44 HydrophobicContact CB-CZ 3.49Å; C30-F44 VanDerWaalsContact CB-CZ 3.49Å; C30-F44 PolarHBondContact N-O 2.86Å; C30-F44 PolarHBondContact O-N 2.82Å; C30-F44 WeakPolarHBondContact SG-CE2 3.47Å; C30-F44 VanDerWaalsContact SG-CZ 3.51Å; C30-C58 WeakPolarHBondContact CA-SG 3.37Å; C30-C58 HydrophobicContact CB-CB 4.24Å; C30-C58 WeakPolarHBondContact CB-SG 3.46Å; C30-C58 VanDerWaalsContact SG-CA 3.51Å; C30-C58 WeakPolarHBondContact SG-CB 3.14Å; C30-C58 CovalentContact SG-SG 2.04Å; C30-C58 PolarHBondContact SG-SG 2.91Å; C30-R65 HydrophobicContact CB-CB 4.29Å
31H96.3Very high85.1Confident101 Ų10175.1 Ų75.147%0.46841%0.405SS..  trans-62.9148.4174.4-65.8-89.3000110.9Y29 R65Y29-H31 AromaticContact CD1-ND1 3.85Å; Y29-H31 AromaticContact CE1-ND1 3.99Å; Y29-H31 PolarHBondContact O-N 2.8Å; H31-R65 PolarHBondContact O-NH1 2.93Å
32G95.8Very high86.7Confident10 Ų1075.1 Ų75.110%0.10341%0.407CS..  trans-57.5154.317400000112.2K41 D83G32-K41 CarbonylContact C-O 3.52Å; G32-K41 WeakPolarHBondContact CA-O 3.3Å; G32-D83 WeakPolarHBondContact O-CA 3.42Å
33W96.3Very high88.7Confident18 Ų1870 Ų707%0.06839%0.385CS..EExtended strand (participates in β ladder)trans-155.2163.1-172.976.996.7000113.2W40 K41 F44 E63 R65 N82W33-W40 CarbonylContact O-C 3.42Å; W33-K41 HydrophobicContact CD2-CB 3.67Å; W33-K41 HydrophobicContact CD2-CG 4.1Å; W33-K41 HydrophobicContact CE3-CB 3.69Å; W33-K41 HydrophobicContact CG-CB 4.37Å; W33-K41 HydrophobicContact CH2-CB 3.79Å; W33-K41 HydrophobicContact CH2-CG 4.16Å; W33-K41 HydrophobicContact CZ2-CB 3.78Å; W33-K41 HydrophobicContact CZ2-CG 3.68Å; W33-K41 HydrophobicContact CZ3-CB 3.73Å; W33-K41 PolarHBondContact N-O 3.06Å; W33-K41 PolarHBondContact O-N 2.97Å; W33-F44 AromaticContact CH2-CE1 3.79Å; W33-F44 HydrophobicContact CH2-CE1 3.79Å; W33-F44 HydrophobicContact CZ3-CD1 4.31Å; W33-F44 AromaticContact CZ3-CE1 3.64Å; W33-F44 HydrophobicContact CZ3-CE1 3.64Å; W33-E63 PolarHBondContact NE1-O 2.98Å; W33-R65 HydrophobicContact CD2-CB 4.41Å; W33-R65 HydrophobicContact CD2-CG 3.83Å; W33-R65 HydrophobicContact CE3-CB 4.13Å; W33-R65 HydrophobicContact CE3-CG 3.88Å; W33-R65 HydrophobicContact CG-CG 4.35Å; W33-R65 HydrophobicContact CH2-CB 3.91Å; W33-R65 HydrophobicContact CH2-CG 4.38Å; W33-R65 HydrophobicContact CZ2-CB 4.17Å; W33-R65 HydrophobicContact CZ2-CG 4.31Å; W33-R65 HydrophobicContact CZ3-CB 3.9Å; W33-R65 HydrophobicContact CZ3-CG 4.18Å; W33-N82 CarbonylContact C-O 3.34Å; W33-N82 WeakPolarHBondContact CA-O 3.44Å
34R96.3Very high90.5Very high101 Ų10166 Ų6638%0.38136%0.358SS..EExtended strand (participates in β ladder)trans-94.6123169.3-164.5-179.6-61.8-89.32.5110.9G38 A39 N82R34-G38 WeakPolarHBondContact CD-O 3.04Å; R34-G38 VanDerWaalsContact CG-C 3.43Å; R34-G38 VanDerWaalsContact CG-O 3.26Å; R34-G38 WeakPolarHBondContact CG-O 3.46Å; R34-G38 PolarHBondContact NH1-O 2.75Å; R34-A39 CarbonylContact C-O 3.58Å; R34-A39 WeakPolarHBondContact CA-O 3.38Å; R34-N82 HydrophobicContact CB-CB 4.33Å; R34-N82 PolarHBondContact N-O 3.19Å; R34-N82 PolarHBondContact O-ND2 2.92Å
35D94.6Very high92.3Very high18 Ų1862.2 Ų62.210%0.09634%0.343CS..  trans-74.3174.5177.971.518.1000113Q37 G38 A39 K41D35-Q37 PolarHBondContact O-N 3.13Å; D35-Q37 VanDerWaalsContact O-N 3.11Å; D35-Q37 VanDerWaalsContact OD1-CA 3.3Å; D35-Q37 WeakPolarHBondContact OD1-CA 3.49Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.4Å; D35-Q37 PolarHBondContact OD1-N 3.44Å; D35-G38 PolarHBondContact O-N 3.34Å; D35-G38 PolarHBondContact OD1-N 3.11Å; D35-G38 VanDerWaalsContact OD1-N 3.12Å; D35-A39 PolarHBondContact N-O 2.9Å; D35-A39 PolarHBondContact OD1-N 2.89Å; D35-K41 HydrophobicContact CB-CG 4.47Å; D35-K41 WeakPolarHBondContact OD2-CE 3.44Å; D35-K41 IonicContact OD2-NZ 2.63Å; D35-K41 PolarHBondContact OD2-NZ 3.12Å
36S93.1Very high94Very high92 Ų9259.2 Ų59.264%0.64332%0.318SS*.THydrogen-bonded Turntrans-65.9-7.5178.559.80000114.6
37Q94Very high94.9Very high171 Ų17157.1 Ų57.180%0.79930%0.302SS*.THydrogen-bonded Turntrans-96.50.4172-50.5-168.5-54.300111.9D35 A39D35-Q37 PolarHBondContact O-N 3.13Å; D35-Q37 VanDerWaalsContact O-N 3.11Å; D35-Q37 VanDerWaalsContact OD1-CA 3.3Å; D35-Q37 WeakPolarHBondContact OD1-CA 3.49Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.4Å; D35-Q37 PolarHBondContact OD1-N 3.44Å; Q37-A39 VanDerWaalsContact C-N 3.28Å
38G90.4Very high94.9Very high35 Ų3560.8 Ų60.836%0.36132%0.315SS..SBendtrans81.80.9-177.100000114.2R34 D35R34-G38 WeakPolarHBondContact CD-O 3.04Å; R34-G38 VanDerWaalsContact CG-C 3.43Å; R34-G38 VanDerWaalsContact CG-O 3.26Å; R34-G38 WeakPolarHBondContact CG-O 3.46Å; R34-G38 PolarHBondContact NH1-O 2.75Å; D35-G38 PolarHBondContact O-N 3.34Å; D35-G38 PolarHBondContact OD1-N 3.11Å; D35-G38 VanDerWaalsContact OD1-N 3.12Å
39A93.6Very high94.5Very high42 Ų4268.7 Ų68.735%0.34735%0.349SS..  trans-83.2146-178.500000111.3R34 D35 Q37R34-A39 CarbonylContact C-O 3.58Å; R34-A39 WeakPolarHBondContact CA-O 3.38Å; D35-A39 PolarHBondContact N-O 2.9Å; D35-A39 PolarHBondContact OD1-N 2.89Å; Q37-A39 VanDerWaalsContact C-N 3.28Å
40W94.4Very high94.2Very high62 Ų6271.1 Ų71.124%0.23537%0.367CS..EExtended strand (participates in β ladder)trans-77.7147.2177-174.1-104.2000111.5W33 D42 D83 Q85W33-W40 CarbonylContact O-C 3.42Å; W40-D42 VanDerWaalsContact CD1-OD1 3.3Å; W40-D42 PolarHBondContact NE1-OD1 3.1Å; W40-D83 WeakPolarHBondContact CH2-O 3.36Å; W40-Q85 HydrophobicContact CD2-CB 4.49Å; W40-Q85 HydrophobicContact CD2-CG 4.25Å; W40-Q85 HydrophobicContact CE3-CB 4.33Å; W40-Q85 HydrophobicContact CE3-CG 4.38Å; W40-Q85 HydrophobicContact CH2-CB 3.71Å; W40-Q85 HydrophobicContact CH2-CG 4.48Å; W40-Q85 HydrophobicContact CZ2-CB 3.87Å; W40-Q85 HydrophobicContact CZ2-CG 4.34Å; W40-Q85 HydrophobicContact CZ3-CB 3.95Å; W40-Q85 HydrophobicContact CZ3-CG 4.49Å
41K95.4Very high94Very high76 Ų7674 Ų7433%0.3338%0.382SS..EExtended strand (participates in β ladder)trans-128.9130.2171.3-56.8-64.1-177.4-122.30107.9G32 W33 D35G32-K41 CarbonylContact C-O 3.52Å; G32-K41 WeakPolarHBondContact CA-O 3.3Å; W33-K41 HydrophobicContact CD2-CB 3.67Å; W33-K41 HydrophobicContact CD2-CG 4.1Å; W33-K41 HydrophobicContact CE3-CB 3.69Å; W33-K41 HydrophobicContact CG-CB 4.37Å; W33-K41 HydrophobicContact CH2-CB 3.79Å; W33-K41 HydrophobicContact CH2-CG 4.16Å; W33-K41 HydrophobicContact CZ2-CB 3.78Å; W33-K41 HydrophobicContact CZ2-CG 3.68Å; W33-K41 HydrophobicContact CZ3-CB 3.73Å; W33-K41 PolarHBondContact N-O 3.06Å; W33-K41 PolarHBondContact O-N 2.97Å; D35-K41 HydrophobicContact CB-CG 4.47Å; D35-K41 WeakPolarHBondContact OD2-CE 3.44Å; D35-K41 IonicContact OD2-NZ 2.63Å; D35-K41 PolarHBondContact OD2-NZ 3.12Å
42D95.2Very high93.8Very high122 Ų12271.9 Ų71.965%0.65238%0.383SS*.  trans-75.9154.4177.6-58.2-55.3000111.4W40W40-D42 VanDerWaalsContact CD1-OD1 3.3Å; W40-D42 PolarHBondContact NE1-OD1 3.1Å
43G94.9Very high93.5Very high23 Ų2379 Ų7924%0.23741%0.413CS..  trans-83.3145.8-179.200000113Y29 C30Y29-G43 VanDerWaalsContact OH-CA 3.3Å; Y29-G43 WeakPolarHBondContact OH-CA 3.26Å; Y29-G43 PolarHBondContact OH-O 2.94Å; C30-G43 CarbonylContact O-C 3.5Å; C30-G43 WeakPolarHBondContact O-CA 3.39Å
44F95.3Very high93.4Very high31 Ų3182.9 Ų82.914%0.13644%0.435CS..EExtended strand (participates in β ladder)trans-130.3154.4-175.754.7-94.6000112.3Y29 C30 W33 E48 R65 C67Y29-F44 VanDerWaalsContact CD2-O 3.27Å; Y29-F44 WeakPolarHBondContact CD2-O 3.41Å; C30-F44 HydrophobicContact CB-CD1 4.29Å; C30-F44 HydrophobicContact CB-CD2 3.93Å; C30-F44 HydrophobicContact CB-CE1 3.92Å; C30-F44 HydrophobicContact CB-CE2 3.49Å; C30-F44 VanDerWaalsContact CB-CE2 3.49Å; C30-F44 HydrophobicContact CB-CG 4.3Å; C30-F44 HydrophobicContact CB-CZ 3.49Å; C30-F44 VanDerWaalsContact CB-CZ 3.49Å; C30-F44 PolarHBondContact N-O 2.86Å; C30-F44 PolarHBondContact O-N 2.82Å; C30-F44 WeakPolarHBondContact SG-CE2 3.47Å; C30-F44 VanDerWaalsContact SG-CZ 3.51Å; W33-F44 AromaticContact CH2-CE1 3.79Å; W33-F44 HydrophobicContact CH2-CE1 3.79Å; W33-F44 HydrophobicContact CZ3-CD1 4.31Å; W33-F44 AromaticContact CZ3-CE1 3.64Å; W33-F44 HydrophobicContact CZ3-CE1 3.64Å; F44-E48 HydrophobicContact CB-CG 4.28Å; F44-E48 HydrophobicContact CD2-CG 4.03Å; F44-E48 HydrophobicContact CG-CG 4.36Å; F44-R65 HydrophobicContact CZ-CB 4.33Å; F44-C67 WeakPolarHBondContact CE2-SG 3.4Å
45Q96.8Very high93.4Very high81 Ų8178.4 Ų78.438%0.37942%0.42SS..EExtended strand (participates in β ladder)trans-96120.6-179.3175.257.259.300109.6S26 G27 Y29 P47S26-Q45 PolarHBondContact OG-NE2 3.47Å; G27-Q45 VanDerWaalsContact C-NE2 3.31Å; G27-Q45 PolarHBondContact O-NE2 2.04Å; Y29-Q45 HydrophobicContact CD2-CB 4.14Å; Q45-P47 CarbonylContact O-C 3.58Å
46C95.8Very high93.5Very high2 Ų280.7 Ų80.71%0.01443%0.431CS..SBendtrans-79.5147.7176.8-67.10000112.6G27 E28 A55 C67G27-C46 VanDerWaalsContact CA-O 3.24Å; G27-C46 WeakPolarHBondContact CA-O 3.45Å; G27-C46 PolarHBondContact N-O 2.81Å; E28-C46 VanDerWaalsContact O-CB 3.28Å; E28-C46 WeakPolarHBondContact O-CB 3.25Å; E28-C46 PolarHBondContact O-N 2.84Å; C46-A55 WeakPolarHBondContact CB-O 3.35Å; C46-C67 WeakPolarHBondContact CA-SG 3.21Å; C46-C67 HydrophobicContact CB-CB 3.85Å; C46-C67 WeakPolarHBondContact CB-SG 3.42Å; C46-C67 WeakPolarHBondContact SG-CA 3.27Å; C46-C67 WeakPolarHBondContact SG-CB 3.31Å; C46-C67 CovalentContact SG-SG 2.04Å; C46-C67 PolarHBondContact SG-SG 2.94Å
47P94.9Very high93.7Very high49 Ų4977.2 Ų77.232%0.31841%0.405SS..SBendcis-72.9147.4-14.631.7-33000111.2Q45 D51 A52 A55Q45-P47 CarbonylContact O-C 3.58Å; P47-D51 HydrophobicContact CB-CB 3.98Å; P47-A52 WeakPolarHBondContact CB-O 3.28Å; P47-A55 HydrophobicContact CB-CB 4.28Å
48E91.8Very high93.8Very high90 Ų9069 Ų6942%0.42137%0.367SS..PPolyproline II helixtrans-71.8168.9170.8-68.8-152.766.900111.8F44 I50 D51F44-E48 HydrophobicContact CB-CG 4.28Å; F44-E48 HydrophobicContact CD2-CG 4.03Å; F44-E48 HydrophobicContact CG-CG 4.36Å; E48-I50 HydrophobicContact CB-CG1 4.46Å; E48-I50 PolarHBondContact O-N 2.86Å; E48-D51 VanDerWaalsContact CB-OD2 3.3Å; E48-D51 WeakPolarHBondContact CB-OD2 3.46Å; E48-D51 PolarHBondContact N-OD2 2.84Å; E48-D51 PolarHBondContact O-N 2.04Å; E48-D51 VanDerWaalsContact O-N 3.1Å
49K88.6Confident94.2Very high218 Ų21867.4 Ų67.495%0.94835%0.35SS*.THydrogen-bonded Turntrans-62.4-8-178.2-61.2-177.4-178.1177.20115.2
50I89.3Confident94.3Very high152 Ų15266.7 Ų66.778%0.77935%0.347SS*.THydrogen-bonded Turntrans-117.8-4.2-177.760.5173.3000112.8E48E48-I50 HydrophobicContact CB-CG1 4.46Å; E48-I50 PolarHBondContact O-N 2.86Å
51D91.6Very high94.4Very high59 Ų5971.2 Ų71.232%0.31637%0.368SS..SBendtrans-88.2171.4179.8-63.4-37000111.7P47 E48 A55 C67P47-D51 HydrophobicContact CB-CB 3.98Å; E48-D51 VanDerWaalsContact CB-OD2 3.3Å; E48-D51 WeakPolarHBondContact CB-OD2 3.46Å; E48-D51 PolarHBondContact N-OD2 2.84Å; E48-D51 PolarHBondContact O-N 2.04Å; E48-D51 VanDerWaalsContact O-N 3.1Å; D51-A55 HydrophobicContact CB-CB 3.96Å; D51-C67 VanDerWaalsContact OD2-CB 3.23Å; D51-C67 WeakPolarHBondContact OD2-CB 3.22Å; D51-C67 PolarHBondContact OD2-SG 3.12Å
52A91.1Very high94.4Very high57 Ų5769.3 Ų69.347%0.47136%0.364SS..  trans-73.5149.916800000111.1P47 D54 A55P47-A52 WeakPolarHBondContact CB-O 3.28Å; A52-D54 WeakPolarHBondContact CB-OD1 3.01Å; A52-D54 PolarHBondContact O-N 2.65Å; A52-D54 VanDerWaalsContact O-N 3.12Å; A52-A55 VanDerWaalsContact O-CB 3.25Å; A52-A55 WeakPolarHBondContact O-CB 3.47Å; A52-A55 PolarHBondContact O-N 2.84Å
53E91.4Very high94.5Very high160 Ų16068.6 Ų68.675%0.74836%0.357SS*.THydrogen-bonded Turntrans-65.5-16.6-176.5-66-161.2-150.800114.3
54D93.8Very high94.5Very high99 Ų9972.8 Ų72.853%0.52937%0.373SS..THydrogen-bonded Turntrans-91.5-317467.4-30.3000113.7A52 I56 A69A52-D54 WeakPolarHBondContact CB-OD1 3.01Å; A52-D54 PolarHBondContact O-N 2.65Å; A52-D54 VanDerWaalsContact O-N 3.12Å; D54-I56 PolarHBondContact O-N 3.32Å; D54-A69 HydrophobicContact CB-CB 4.36Å; D54-A69 WeakPolarHBondContact O-CA 3.4Å; D54-A69 VanDerWaalsContact O-CB 3.3Å; D54-A69 WeakPolarHBondContact O-CB 3.23Å
55A95.7Very high94.6Very high7 Ų771.8 Ų71.86%0.05837%0.368CS..  trans-76.254.2176.900000112.2C46 P47 D51 A52 C67 C68C46-A55 WeakPolarHBondContact CB-O 3.35Å; P47-A55 HydrophobicContact CB-CB 4.28Å; D51-A55 HydrophobicContact CB-CB 3.96Å; A52-A55 VanDerWaalsContact O-CB 3.25Å; A52-A55 WeakPolarHBondContact O-CB 3.47Å; A52-A55 PolarHBondContact O-N 2.84Å; A55-C67 HydrophobicContact CB-CB 4.2Å; A55-C67 WeakPolarHBondContact O-CB 3.23Å; A55-C68 CarbonylContact C-O 3.29Å; A55-C68 VanDerWaalsContact C-O 3.29Å; A55-C68 WeakPolarHBondContact CA-O 3.43Å
56I96.2Very high94.6Very high66 Ų6672.9 Ų72.934%0.33837%0.37SS..  trans-87.92-170.764.4172.8000114.4G27 E28 D54 C68G27-I56 CarbonylContact C-O 3.16Å; G27-I56 WeakPolarHBondContact CA-O 3.06Å; E28-I56 PolarHBondContact N-O 3.2Å; D54-I56 PolarHBondContact O-N 3.32Å; I56-C68 PolarHBondContact N-O 3.47Å
57I96.9Very high94.6Very high19 Ų1973.4 Ų73.410%0.09737%0.373CS..EExtended strand (participates in β ladder)trans-112.8139.7-171.5-50.3-179000109.9E28 C59 C67 C68 T71 R74E28-I57 VanDerWaalsContact OE2-CG2 3.3Å; E28-I57 WeakPolarHBondContact OE2-CG2 3.3Å; I57-C59 PolarHBondContact O-SG 3.22Å; I57-C59 VanDerWaalsContact O-SG 3.36Å; I57-C67 CarbonylContact O-C 3.46Å; I57-C67 WeakPolarHBondContact O-CA 3.3Å; I57-C68 WeakPolarHBondContact CA-O 3.23Å; I57-C68 VanDerWaalsContact CB-O 3.22Å; I57-C68 WeakPolarHBondContact CB-O 3.28Å; I57-C68 PolarHBondContact N-O 2.92Å; I57-C68 PolarHBondContact O-N 3.1Å; I57-T71 HydrophobicContact CD1-CG2 4Å; I57-R74 HydrophobicContact CG2-CB 3.65Å; I57-R74 HydrophobicContact CG2-CG 3.47Å; I57-R74 VanDerWaalsContact CG2-CG 3.47Å
58C97.7Very high94.7Very high0 Ų072 Ų720%036%0.364CS..EExtended strand (participates in β ladder)trans-82.9116.9172.2-173.10000109.7E28 C30 R74 L75 Q77E28-C58 HydrophobicContact CB-CB 3.96Å; E28-C58 PolarHBondContact OE2-N 2.9Å; C30-C58 WeakPolarHBondContact CA-SG 3.37Å; C30-C58 HydrophobicContact CB-CB 4.24Å; C30-C58 WeakPolarHBondContact CB-SG 3.46Å; C30-C58 VanDerWaalsContact SG-CA 3.51Å; C30-C58 WeakPolarHBondContact SG-CB 3.14Å; C30-C58 CovalentContact SG-SG 2.04Å; C30-C58 PolarHBondContact SG-SG 2.91Å; C58-R74 WeakPolarHBondContact O-CA 3.01Å; C58-L75 PolarHBondContact O-N 2.78Å; C58-Q77 VanDerWaalsContact SG-CD 3.55Å
59C97.8Very high95Very high0 Ų070.1 Ų70.10%037%0.365CS..EExtended strand (participates in β ladder)trans-121.6161-167.9-56.30000112.8I57 R65 Y66 C68 A73I57-C59 PolarHBondContact O-SG 3.22Å; I57-C59 VanDerWaalsContact O-SG 3.36Å; C59-R65 WeakPolarHBondContact O-CA 3.45Å; C59-Y66 WeakPolarHBondContact CA-O 3.1Å; C59-Y66 HydrophobicContact CB-CD2 4.24Å; C59-Y66 HydrophobicContact CB-CE1 4.3Å; C59-Y66 HydrophobicContact CB-CE2 3.87Å; C59-Y66 WeakPolarHBondContact CB-O 3.4Å; C59-Y66 PolarHBondContact N-O 3.5Å; C59-Y66 WeakPolarHBondContact O-CD1 3.24Å; C59-Y66 PolarHBondContact O-N 2.95Å; C59-C68 HydrophobicContact CB-CB 3.74Å; C59-C68 WeakPolarHBondContact CB-SG 3.38Å; C59-C68 WeakPolarHBondContact SG-CB 3.33Å; C59-C68 CovalentContact SG-SG 2.04Å; C59-C68 PolarHBondContact SG-SG 3.13Å; C59-A73 CarbonylContact C-O 3.56Å; C59-A73 WeakPolarHBondContact CA-O 3.37Å; C59-A73 HydrophobicContact CB-CB 4.22Å; C59-A73 VanDerWaalsContact CB-O 3.31Å; C59-A73 WeakPolarHBondContact CB-O 3.5Å
60G96.4Very high95.3Very high27 Ų2762.2 Ų62.228%0.27834%0.337SS..EExtended strand (participates in β ladder)trans112.3-123.7171.200000115Y66 A73G60-Y66 VanDerWaalsContact CA-CE1 3.47Å; G60-A73 PolarHBondContact N-O 3.3Å
61K96.3Very high95.6Very high158 Ų15859.7 Ų59.769%0.68733%0.329SS*.EExtended strand (participates in β ladder)trans-140.9160.9-174.7-65.7-176.6-179.4179.50110E63 L64 L75K61-E63 PolarHBondContact O-N 3.41Å; K61-L64 PolarHBondContact N-O 2.76Å; K61-L64 CarbonylContact O-C 3.58Å; K61-L64 PolarHBondContact O-N 2.85Å; K61-L75 WeakPolarHBondContact O-CD2 2.96Å
62C96.1Very high95.8Very high36 Ų3664.1 Ų64.124%0.24335%0.352CS..THydrogen-bonded Turntrans-49.5-39.9178.4-63.30000113.5R65 C80 N82C62-R65 PolarHBondContact O-NE 3.31Å; C62-C80 WeakPolarHBondContact CA-SG 3.24Å; C62-C80 HydrophobicContact CB-CB 3.76Å; C62-C80 WeakPolarHBondContact CB-SG 3.34Å; C62-C80 WeakPolarHBondContact SG-CA 3.11Å; C62-C80 WeakPolarHBondContact SG-CB 3.4Å; C62-C80 CovalentContact SG-SG 2.04Å; C62-C80 PolarHBondContact SG-SG 3.17Å; C62-N82 PolarHBondContact O-ND2 2.85Å; C62-N82 PolarHBondContact O-OD1 3.26Å
63E95.8Very high96.1Very high106 Ų10663 Ų6350%0.49534%0.343SS..THydrogen-bonded Turntrans-85.7-8.6180-59.8179.4146.400115.2W33 K61W33-E63 PolarHBondContact NE1-O 2.98Å; K61-E63 PolarHBondContact O-N 3.41Å
64L95.6Very high96.4Very high111 Ų11162.4 Ų62.458%0.58133%0.334SS*.EExtended strand (participates in β ladder)trans-153.7103.2-179-167.7167.4000109.6K61 Y66K61-L64 PolarHBondContact N-O 2.76Å; K61-L64 CarbonylContact O-C 3.58Å; K61-L64 PolarHBondContact O-N 2.85Å; L64-Y66 HydrophobicContact CD2-CD1 3.78Å; L64-Y66 HydrophobicContact CD2-CE1 4.34Å
65R96.8Very high96.6Very high10 Ų1058.6 Ų58.64%0.03831%0.314CS..EExtended strand (participates in β ladder)trans-109.5143.2-177.8-46.5-173.3-172.6-167.65.3109.9C30 H31 W33 F44 C59 C62 L75 N82C30-R65 HydrophobicContact CB-CB 4.29Å; H31-R65 PolarHBondContact O-NH1 2.93Å; W33-R65 HydrophobicContact CD2-CB 4.41Å; W33-R65 HydrophobicContact CD2-CG 3.83Å; W33-R65 HydrophobicContact CE3-CB 4.13Å; W33-R65 HydrophobicContact CE3-CG 3.88Å; W33-R65 HydrophobicContact CG-CG 4.35Å; W33-R65 HydrophobicContact CH2-CB 3.91Å; W33-R65 HydrophobicContact CH2-CG 4.38Å; W33-R65 HydrophobicContact CZ2-CB 4.17Å; W33-R65 HydrophobicContact CZ2-CG 4.31Å; W33-R65 HydrophobicContact CZ3-CB 3.9Å; W33-R65 HydrophobicContact CZ3-CG 4.18Å; F44-R65 HydrophobicContact CZ-CB 4.33Å; C59-R65 WeakPolarHBondContact O-CA 3.45Å; C62-R65 PolarHBondContact O-NE 3.31Å; R65-L75 HydrophobicContact CG-CD2 3.71Å; R65-N82 PolarHBondContact NH2-OD1 3.47Å; R65-N82 VanDerWaalsContact NH2-OD1 3.11Å
66Y96.4Very high96.6Very high104 Ų10463.5 Ų63.541%0.40834%0.339SS..EExtended strand (participates in β ladder)trans-155.1156.2177.561.9-81.9000110.5C59 G60 L64 C68C59-Y66 WeakPolarHBondContact CA-O 3.1Å; C59-Y66 HydrophobicContact CB-CD2 4.24Å; C59-Y66 HydrophobicContact CB-CE1 4.3Å; C59-Y66 HydrophobicContact CB-CE2 3.87Å; C59-Y66 WeakPolarHBondContact CB-O 3.4Å; C59-Y66 PolarHBondContact N-O 3.5Å; C59-Y66 WeakPolarHBondContact O-CD1 3.24Å; C59-Y66 PolarHBondContact O-N 2.95Å; G60-Y66 VanDerWaalsContact CA-CE1 3.47Å; L64-Y66 HydrophobicContact CD2-CD1 3.78Å; L64-Y66 HydrophobicContact CD2-CE1 4.34Å; Y66-C68 HydrophobicContact CD2-CB 4.21Å; Y66-C68 HydrophobicContact CE2-CB 3.86Å
67C97.2Very high96.6Very high13 Ų1361.9 Ų61.99%0.08833%0.33CS..EExtended strand (participates in β ladder)trans-76138.4174.7-61.40000111.4F44 C46 D51 A55 I57F44-C67 WeakPolarHBondContact CE2-SG 3.4Å; C46-C67 WeakPolarHBondContact CA-SG 3.21Å; C46-C67 HydrophobicContact CB-CB 3.85Å; C46-C67 WeakPolarHBondContact CB-SG 3.42Å; C46-C67 WeakPolarHBondContact SG-CA 3.27Å; C46-C67 WeakPolarHBondContact SG-CB 3.31Å; C46-C67 CovalentContact SG-SG 2.04Å; C46-C67 PolarHBondContact SG-SG 2.94Å; D51-C67 VanDerWaalsContact OD2-CB 3.23Å; D51-C67 WeakPolarHBondContact OD2-CB 3.22Å; D51-C67 PolarHBondContact OD2-SG 3.12Å; A55-C67 HydrophobicContact CB-CB 4.2Å; A55-C67 WeakPolarHBondContact O-CB 3.23Å; I57-C67 CarbonylContact O-C 3.46Å; I57-C67 WeakPolarHBondContact O-CA 3.3Å
68C97.1Very high96.4Very high19 Ų1964.4 Ų64.413%0.12836%0.36CS..EExtended strand (participates in β ladder)trans-150.5171.2172.291.40000112.9A55 I56 I57 C59 Y66 S70A55-C68 CarbonylContact C-O 3.29Å; A55-C68 VanDerWaalsContact C-O 3.29Å; A55-C68 WeakPolarHBondContact CA-O 3.43Å; I56-C68 PolarHBondContact N-O 3.47Å; I57-C68 WeakPolarHBondContact CA-O 3.23Å; I57-C68 VanDerWaalsContact CB-O 3.22Å; I57-C68 WeakPolarHBondContact CB-O 3.28Å; I57-C68 PolarHBondContact N-O 2.92Å; I57-C68 PolarHBondContact O-N 3.1Å; C59-C68 HydrophobicContact CB-CB 3.74Å; C59-C68 WeakPolarHBondContact CB-SG 3.38Å; C59-C68 WeakPolarHBondContact SG-CB 3.33Å; C59-C68 CovalentContact SG-SG 2.04Å; C59-C68 PolarHBondContact SG-SG 3.13Å; Y66-C68 HydrophobicContact CD2-CB 4.21Å; Y66-C68 HydrophobicContact CE2-CB 3.86Å; C68-S70 PolarHBondContact SG-N 2.87Å; C68-S70 VanDerWaalsContact SG-N 3.45Å; C68-S70 PolarHBondContact SG-O 2.86Å
69A96.3Very high96.3Very high52 Ų5268.2 Ų68.243%0.4339%0.387SS..SBendtrans-99.1-3.8179.300000113.7D54D54-A69 HydrophobicContact CB-CB 4.36Å; D54-A69 WeakPolarHBondContact O-CA 3.4Å; D54-A69 VanDerWaalsContact O-CB 3.3Å; D54-A69 WeakPolarHBondContact O-CB 3.23Å
70S96.1Very high96.1Very high52 Ų5268.8 Ų68.836%0.36439%0.391SS..  trans-97.6123.1-174.8-179.10000112.4C68 D72 A73C68-S70 PolarHBondContact SG-N 2.87Å; C68-S70 VanDerWaalsContact SG-N 3.45Å; C68-S70 PolarHBondContact SG-O 2.86Å; S70-D72 PolarHBondContact O-N 3.08Å; S70-D72 PolarHBondContact OG-N 3.03Å; S70-A73 PolarHBondContact O-N 2.81Å
71T95.9Very high96Very high99 Ų9976.2 Ų76.261%0.60742%0.419SS*.G310 helixtrans-61.2-27.817246.90000113.2I57 A73 R74I57-T71 HydrophobicContact CD1-CG2 4Å; T71-A73 VanDerWaalsContact C-N 3.3Å; T71-A73 PolarHBondContact O-N 2.91Å; T71-R74 WeakPolarHBondContact O-CB 3.31Å; T71-R74 PolarHBondContact O-N 2.78Å
72D96.3Very high95.8Very high152 Ų15270.3 Ų70.381%0.81339%0.394SS*.G310 helixtrans-81-16.5-172.2-54-11.3000111.9S70S70-D72 PolarHBondContact O-N 3.08Å; S70-D72 PolarHBondContact OG-N 3.03Å
73A96.6Very high95.4Very high33 Ų3371.3 Ų71.327%0.27340%0.397SS..G310 helixtrans-100.91.2173.800000113.1C59 G60 S70 T71 L75C59-A73 CarbonylContact C-O 3.56Å; C59-A73 WeakPolarHBondContact CA-O 3.37Å; C59-A73 HydrophobicContact CB-CB 4.22Å; C59-A73 VanDerWaalsContact CB-O 3.31Å; C59-A73 WeakPolarHBondContact CB-O 3.5Å; G60-A73 PolarHBondContact N-O 3.3Å; S70-A73 PolarHBondContact O-N 2.81Å; T71-A73 VanDerWaalsContact C-N 3.3Å; T71-A73 PolarHBondContact O-N 2.91Å; A73-L75 PolarHBondContact O-N 3.36Å
74R97.6Very high94.8Very high147 Ų14773.6 Ų73.656%0.55541%0.406SS*.BIsolated β-bridgetrans-61.1131.1-178.1-175.1170179.3-118.13.8111.4E28 I57 C58 T71E28-R74 IonicContact OE1-CZ 3.14Å; E28-R74 IonicContact OE1-NE 2.82Å; E28-R74 PolarHBondContact OE1-NE 2.86Å; E28-R74 IonicContact OE1-NH2 2.65Å; E28-R74 PolarHBondContact OE1-NH2 3.44Å; E28-R74 IonicContact OE2-NE 3.33Å; E28-R74 PolarHBondContact OE2-NE 2.84Å; I57-R74 HydrophobicContact CG2-CB 3.65Å; I57-R74 HydrophobicContact CG2-CG 3.47Å; I57-R74 VanDerWaalsContact CG2-CG 3.47Å; C58-R74 WeakPolarHBondContact O-CA 3.01Å; T71-R74 WeakPolarHBondContact O-CB 3.31Å; T71-R74 PolarHBondContact O-N 2.78Å
75L97.3Very high93.8Very high20 Ų2074.1 Ų74.111%0.10541%0.405CS..  trans-87.9122.4178.5177.459.1000110.4C58 K61 R65 A73 Q77C58-L75 PolarHBondContact O-N 2.78Å; K61-L75 WeakPolarHBondContact O-CD2 2.96Å; R65-L75 HydrophobicContact CG-CD2 3.71Å; A73-L75 PolarHBondContact O-N 3.36Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 HydrophobicContact CB-CG 4.41Å; L75-Q77 HydrophobicContact CD2-CG 4.03Å; L75-Q77 HydrophobicContact CG-CG 3.96Å; L75-Q77 PolarHBondContact O-N 3.46Å
76D96.6Very high92.3Very high110 Ų11076.9 Ų76.959%0.58843%0.43SS*.  trans-71.888.2162.5-174.83.1000109.5G78 S79D76-G78 PolarHBondContact O-N 3.25Å; D76-G78 PolarHBondContact OD1-N 3.42Å; D76-S79 PolarHBondContact O-N 3.37Å; D76-S79 VanDerWaalsContact O-N 3.13Å; D76-S79 PolarHBondContact O-OG 2.94Å
77Q95.1Very high90.4Very high31 Ų3180.7 Ų80.715%0.14545%0.451CS..G310 helixtrans-63-21.2179.7-61.7-172.684.200112.6Y29 C58 L75 S79 C80Y29-Q77 PolarHBondContact O-NE2 3Å; C58-Q77 VanDerWaalsContact SG-CD 3.55Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 HydrophobicContact CB-CG 4.41Å; L75-Q77 HydrophobicContact CD2-CG 4.03Å; L75-Q77 HydrophobicContact CG-CG 3.96Å; L75-Q77 PolarHBondContact O-N 3.46Å; Q77-S79 VanDerWaalsContact C-N 3.26Å; Q77-S79 PolarHBondContact O-N 3.28Å; Q77-C80 PolarHBondContact O-N 3.15Å
78G93.8Very high88.3Confident72 Ų7285.2 Ų85.274%0.74248%0.479SS*.G310 helixtrans-74-13.8176.900000114D76D76-G78 PolarHBondContact O-N 3.25Å; D76-G78 PolarHBondContact OD1-N 3.42Å
79S94.9Very high85.9Confident80 Ų8090.7 Ų90.756%0.55951%0.514SS*.G310 helixtrans-91.2-1173.377.60000113.7D76 Q77D76-S79 PolarHBondContact O-N 3.37Å; D76-S79 VanDerWaalsContact O-N 3.13Å; D76-S79 PolarHBondContact O-OG 2.94Å; Q77-S79 VanDerWaalsContact C-N 3.26Å; Q77-S79 PolarHBondContact O-N 3.28Å
80C94.7Very high83.7Confident12 Ų1291.6 Ų91.68%0.08153%0.528CS..  trans-89.3147.8-179.6-600000111.6C62 Q77C62-C80 WeakPolarHBondContact CA-SG 3.24Å; C62-C80 HydrophobicContact CB-CB 3.76Å; C62-C80 WeakPolarHBondContact CB-SG 3.34Å; C62-C80 WeakPolarHBondContact SG-CA 3.11Å; C62-C80 WeakPolarHBondContact SG-CB 3.4Å; C62-C80 CovalentContact SG-SG 2.04Å; C62-C80 PolarHBondContact SG-SG 3.17Å; Q77-C80 PolarHBondContact O-N 3.15Å
81E93.6Very high81.2Confident184 Ų18494.3 Ų94.386%0.8654%0.543SS*.SBendtrans-113.4-4.1175.1-57.6-176.2112.900113D83E81-D83 WeakPolarHBondContact CA-OD1 3.38Å
82N92.3Very high79Confident33 Ų3397.5 Ų97.518%0.17655%0.551CS.*  trans-94.76.9-176.975.6-29.3000113.5W33 R34 C62 R65 K84W33-N82 CarbonylContact C-O 3.34Å; W33-N82 WeakPolarHBondContact CA-O 3.44Å; R34-N82 HydrophobicContact CB-CB 4.33Å; R34-N82 PolarHBondContact N-O 3.19Å; R34-N82 PolarHBondContact O-ND2 2.92Å; C62-N82 PolarHBondContact O-ND2 2.85Å; C62-N82 PolarHBondContact O-OD1 3.26Å; R65-N82 PolarHBondContact NH2-OD1 3.47Å; R65-N82 VanDerWaalsContact NH2-OD1 3.11Å; N82-K84 VanDerWaalsContact C-N 3.29Å
83D86.7Confident76.5Confident58 Ų5893.9 Ų93.931%0.3154%0.537SS..  trans-74.4-14.8177.163.7-59.3000113.4G32 W40 E81 Q85G32-D83 WeakPolarHBondContact O-CA 3.42Å; W40-D83 WeakPolarHBondContact CH2-O 3.36Å; E81-D83 WeakPolarHBondContact CA-OD1 3.38Å; D83-Q85 PolarHBondContact O-N 3.22Å
84K84Confident74.3Confident153 Ų153101 Ų10167%0.66556%0.562SS**  trans-90.9110.2-174.7-63.2179.4-173.7171.20110.9N82N82-K84 VanDerWaalsContact C-N 3.29Å
85Q75.6Confident72.1Confident122 Ų122101.7 Ų101.757%0.5757%0.572SS**  trans-64.1137.3161.7-160.9152.22900108.3W40 D83 E87W40-Q85 HydrophobicContact CD2-CB 4.49Å; W40-Q85 HydrophobicContact CD2-CG 4.25Å; W40-Q85 HydrophobicContact CE3-CB 4.33Å; W40-Q85 HydrophobicContact CE3-CG 4.38Å; W40-Q85 HydrophobicContact CH2-CB 3.71Å; W40-Q85 HydrophobicContact CH2-CG 4.48Å; W40-Q85 HydrophobicContact CZ2-CB 3.87Å; W40-Q85 HydrophobicContact CZ2-CG 4.34Å; W40-Q85 HydrophobicContact CZ3-CB 3.95Å; W40-Q85 HydrophobicContact CZ3-CG 4.49Å; D83-Q85 PolarHBondContact O-N 3.22Å; Q85-E87 PolarHBondContact O-N 3.41Å; Q85-E87 VanDerWaalsContact O-N 3.12Å
86A64.6Low69.8Low68 Ų68107.6 Ų107.656%0.56260%0.603SS**  trans-68.8113.2176.500000108.2V88A86-V88 PolarHBondContact O-N 3.01Å; A86-V88 VanDerWaalsContact O-N 3.1Å
87E57Low67.3Low184 Ų184110.8 Ų110.886%0.8661%0.612SS**  trans-54.2114.5178.5-168.2-175.8139.200109.2Q85 P89Q85-E87 PolarHBondContact O-N 3.41Å; Q85-E87 VanDerWaalsContact O-N 3.12Å; E87-P89 VanDerWaalsContact O-CD 3.31Å; E87-P89 WeakPolarHBondContact O-CD 3.5Å
88V52.9Low65.1Low109 Ų109115.3 Ų115.366%0.66164%0.637SS**  trans-74.1117.6-176.2179.90000107.8A86 G90A86-V88 PolarHBondContact O-N 3.01Å; A86-V88 VanDerWaalsContact O-N 3.1Å; V88-G90 VanDerWaalsContact C-N 3.3Å; V88-G90 PolarHBondContact O-N 3.4Å
89P46.2Very low63.1Low134 Ų134116.9 Ų116.987%0.8764%0.637SS**THydrogen-bonded Turntrans-73.984-174.330.1-35000110.3E87E87-P89 VanDerWaalsContact O-CD 3.31Å; E87-P89 WeakPolarHBondContact O-CD 3.5Å
90G50.9Low60.9Low71 Ų71123.7 Ų123.773%0.73265%0.65SS**THydrogen-bonded Turntrans-177.6-15.6-175.800000116.6V88V88-G90 VanDerWaalsContact C-N 3.3Å; V88-G90 PolarHBondContact O-N 3.4Å
91T42.9Very low59Low108 Ų108124.7 Ų124.766%0.66366%0.66SS**  trans-125.1100.2176.548.50000112S93T91-S93 PolarHBondContact O-N 2.89Å
92E49.7Very low57.3Low167 Ų167120.7 Ų120.778%0.7865%0.648SS**  trans-73.165168.953.4175.2101.100111.9K94E92-K94 PolarHBondContact O-N 3.04Å; E92-K94 VanDerWaalsContact O-N 3.08Å
93S44.5Very low55.6Low75 Ų75123.2 Ų123.252%0.52467%0.666SS.*  trans-64.610517340.80000110.5T91 E95T91-S93 PolarHBondContact O-N 2.89Å; S93-E95 PolarHBondContact O-N 3.37Å
94K48.6Very low54.7Low183 Ų183126 Ų12680%0.79668%0.68SS**THydrogen-bonded Turntrans-7333.7-174.4-68.4178.1176.9166.90114.7E92E92-K94 PolarHBondContact O-N 3.04Å; E92-K94 VanDerWaalsContact O-N 3.08Å
95E51.4Low54.3Low162 Ų162126.3 Ų126.376%0.75768%0.678SS**THydrogen-bonded Turntrans-121.3-4.5-165.9-59.1-171.914300113.6S93 K97S93-E95 PolarHBondContact O-N 3.37Å; E95-K97 PolarHBondContact O-N 3.07Å
96D49.2Very low54.4Low144 Ų144123.6 Ų123.677%0.7767%0.669SS**THydrogen-bonded Turntrans-74.239.6172.7-100.4-61000114.5
97K44.4Very low55.4Low177 Ų177123.7 Ų123.777%0.7766%0.664SS**THydrogen-bonded Turntrans-117.2-22.7179.2-145.6172.4-174.7178.60114.5E95E95-K97 PolarHBondContact O-N 3.07Å
98D49.9Very low56.8Low126 Ų126122.1 Ų122.167%0.67465%0.654SS**SBendtrans-97.2-19.9-177.1-68-59.6000114R100 A101D98-R100 PolarHBondContact O-N 2.72Å; D98-A101 VanDerWaalsContact O-CB 3.24Å; D98-A101 WeakPolarHBondContact O-CB 3.36Å; D98-A101 PolarHBondContact O-N 2.95Å
99S50.5Low58.3Low105 Ų105122.7 Ų122.773%0.73465%0.653SS**THydrogen-bonded Turntrans-59.7-9.8170.9-56.80000114
100R49.3Very low60.3Low222 Ų222120.9 Ų120.984%0.83864%0.635SS**THydrogen-bonded Turntrans-111.67.4174.2-156.5175.6177.2-177.4-0.2113.6D98 P103D98-R100 PolarHBondContact O-N 2.72Å; R100-P103 WeakPolarHBondContact O-CD 3.27Å
101A53.8Low62.3Low34 Ų34122.4 Ų122.428%0.28163%0.63SS.*  trans-84.3-6-173.500000115.3D98D98-A101 VanDerWaalsContact O-CB 3.24Å; D98-A101 WeakPolarHBondContact O-CB 3.36Å; D98-A101 PolarHBondContact O-N 2.95Å
102V57.8Low64.5Low100 Ų100118.8 Ų118.861%0.60662%0.615SS**Hα-helixtrans-54.5-43.3178.3-175.20000115.7I104 Y105 V106V102-I104 VanDerWaalsContact C-N 3.3Å; V102-I104 PolarHBondContact O-N 3.45Å; V102-I104 VanDerWaalsContact O-N 3.17Å; V102-Y105 PolarHBondContact O-N 3.41Å; V102-V106 HydrophobicContact CG1-CG2 3.89Å
103P57.9Low66.3Low86 Ų86114.3 Ų114.356%0.55860%0.601SS**Hα-helixtrans-73.9-14.6-161.529.4-35.2000115R100 P107R100-P103 WeakPolarHBondContact O-CD 3.27Å; P103-P107 WeakPolarHBondContact O-CD 3.34Å
104I67.1Low68.6Low117 Ų117114 Ų11460%0.660%0.596SS**Hα-helixtrans-80.1-36.9-179.5-60.9178.7000111.2V102 F108V102-I104 VanDerWaalsContact C-N 3.3Å; V102-I104 PolarHBondContact O-N 3.45Å; V102-I104 VanDerWaalsContact O-N 3.17Å; I104-F108 VanDerWaalsContact O-CD2 3.25Å; I104-F108 WeakPolarHBondContact O-CD2 3.19Å; I104-F108 WeakPolarHBondContact O-CE2 3.23Å
105Y75.3Confident70.7Confident159 Ų159111.7 Ų111.762%0.62459%0.586SS**Hα-helixtrans-84.7-28.3-175.1-62.4-72.2000113.5V102 F108 L109V102-Y105 PolarHBondContact O-N 3.41Å; Y105-F108 PolarHBondContact O-N 2.98Å; Y105-L109 WeakPolarHBondContact O-CG 3.5Å; Y105-L109 PolarHBondContact O-N 2.98Å
106V78.9Confident72.5Confident65 Ų65107.8 Ų107.839%0.39457%0.573SS.*Hα-helixtrans-51.4-47.6-178.2166.40000113.5V102 F108 L109 I110V102-V106 HydrophobicContact CG1-CG2 3.89Å; V106-F108 VanDerWaalsContact C-N 3.33Å; V106-F108 PolarHBondContact O-N 3.25Å; V106-L109 PolarHBondContact O-N 2.97Å; V106-I110 HydrophobicContact CG1-CD1 3.76Å; V106-I110 HydrophobicContact CG1-CG1 4.49Å; V106-I110 WeakPolarHBondContact O-CG1 3.38Å; V106-I110 PolarHBondContact O-N 3.36Å
107P84.9Confident74.2Confident69 Ų69103.2 Ų103.245%0.44856%0.556SS.*Hα-helixtrans-60.1-38.4176.2-25.335.6000113.9P103 I110 V111P103-P107 WeakPolarHBondContact O-CD 3.34Å; P107-I110 PolarHBondContact O-N 3.02Å; P107-V111 WeakPolarHBondContact O-CG2 3.43Å; P107-V111 PolarHBondContact O-N 3.17Å
108F85.8Confident76.4Confident151 Ų151102 Ų10266%0.66255%0.551SS**Hα-helixtrans-70.9-35.2178.1-63.7-76.2000112.2I104 Y105 V106 G112I104-F108 VanDerWaalsContact O-CD2 3.25Å; I104-F108 WeakPolarHBondContact O-CD2 3.19Å; I104-F108 WeakPolarHBondContact O-CE2 3.23Å; Y105-F108 PolarHBondContact O-N 2.98Å; V106-F108 VanDerWaalsContact C-N 3.33Å; V106-F108 PolarHBondContact O-N 3.25Å; F108-G112 PolarHBondContact O-N 2.88Å
109L84.9Confident78.4Confident121 Ų121100.7 Ų100.763%0.63454%0.543SS*.Hα-helixtrans-66.8-38.8172.9-64.7177.5000111.7Y105 V106 S113Y105-L109 WeakPolarHBondContact O-CG 3.5Å; Y105-L109 PolarHBondContact O-N 2.98Å; V106-L109 PolarHBondContact O-N 2.97Å; L109-S113 VanDerWaalsContact O-CB 3.27Å; L109-S113 WeakPolarHBondContact O-CB 3.25Å; L109-S113 PolarHBondContact O-N 2.94Å; L109-S113 PolarHBondContact O-OG 2.84Å
110I87.8Confident80.2Confident97 Ų97100 Ų10050%0.49753%0.531SS..Hα-helixtrans-63.8-52.6174.3-67164.1000110.5V106 P107 G112 S113 V114V106-I110 HydrophobicContact CG1-CD1 3.76Å; V106-I110 HydrophobicContact CG1-CG1 4.49Å; V106-I110 WeakPolarHBondContact O-CG1 3.38Å; V106-I110 PolarHBondContact O-N 3.36Å; P107-I110 PolarHBondContact O-N 3.02Å; I110-G112 PolarHBondContact O-N 3.42Å; I110-S113 PolarHBondContact O-OG 2.9Å; I110-S113 VanDerWaalsContact O-OG 3.07Å; I110-V114 WeakPolarHBondContact O-CB 3.5Å; I110-V114 VanDerWaalsContact O-CG2 3.23Å; I110-V114 WeakPolarHBondContact O-CG2 3.13Å; I110-V114 PolarHBondContact O-N 3.13Å
111V93.3Very high82Confident102 Ų10293.9 Ų93.962%0.61852%0.517SS*.Hα-helixtrans-63.8-40.9179.9173.70000111.8P107 F115P107-V111 WeakPolarHBondContact O-CG2 3.43Å; P107-V111 PolarHBondContact O-N 3.17Å; V111-F115 WeakPolarHBondContact O-CB 3.24Å; V111-F115 PolarHBondContact O-N 2.93Å
112G90.1Very high83.7Confident33 Ų3394.1 Ų94.134%0.3452%0.523SS..Hα-helixtrans-65.6-46.1178.800000113.2F108 I110 F115 V116F108-G112 PolarHBondContact O-N 2.88Å; I110-G112 PolarHBondContact O-N 3.42Å; G112-F115 PolarHBondContact O-N 2.56Å; G112-V116 WeakPolarHBondContact O-CG2 3.05Å; G112-V116 PolarHBondContact O-N 2.89Å
113S87.6Confident85.2Confident72 Ų7292 Ų9250%0.50351%0.513SS..Hα-helixtrans-66-41.5177.656.90000112.2L109 I110 V116 A117L109-S113 VanDerWaalsContact O-CB 3.27Å; L109-S113 WeakPolarHBondContact O-CB 3.25Å; L109-S113 PolarHBondContact O-N 2.94Å; L109-S113 PolarHBondContact O-OG 2.84Å; I110-S113 PolarHBondContact O-OG 2.9Å; I110-S113 VanDerWaalsContact O-OG 3.07Å; S113-V116 PolarHBondContact O-N 2.84Å; S113-A117 WeakPolarHBondContact O-CB 3.23Å; S113-A117 PolarHBondContact O-N 3.15Å
114V91.3Very high86.5Confident69 Ų6991.4 Ų91.442%0.41851%0.508SS..Hα-helixtrans-62.1-42.2173.81690000111.5I110 A117 F118I110-V114 WeakPolarHBondContact O-CB 3.5Å; I110-V114 VanDerWaalsContact O-CG2 3.23Å; I110-V114 WeakPolarHBondContact O-CG2 3.13Å; I110-V114 PolarHBondContact O-N 3.13Å; V114-A117 PolarHBondContact O-N 3.01Å; V114-F118 HydrophobicContact CG1-CD2 3.73Å; V114-F118 HydrophobicContact CG1-CE2 3.41Å; V114-F118 VanDerWaalsContact CG1-CE2 3.41Å; V114-F118 HydrophobicContact CG1-CZ 4.44Å; V114-F118 WeakPolarHBondContact O-CD2 3.4Å; V114-F118 PolarHBondContact O-N 2.79Å
115F93.3Very high87.6Confident134 Ų13489.8 Ų89.859%0.58850%0.503SS*.Hα-helixtrans-61.2-49.3174.7176.8-101.4000111.9V111 G112 A117 F118 I119V111-F115 WeakPolarHBondContact O-CB 3.24Å; V111-F115 PolarHBondContact O-N 2.93Å; G112-F115 PolarHBondContact O-N 2.56Å; F115-A117 VanDerWaalsContact C-N 3.32Å; F115-A117 PolarHBondContact O-N 3.17Å; F115-F118 PolarHBondContact O-N 2.87Å; F115-I119 HydrophobicContact CD1-CG1 4.36Å; F115-I119 HydrophobicContact CE1-CG1 3.96Å; F115-I119 HydrophobicContact CE2-CD1 4.22Å; F115-I119 HydrophobicContact CE2-CG1 4.22Å; F115-I119 HydrophobicContact CZ-CD1 4.01Å; F115-I119 HydrophobicContact CZ-CG1 3.89Å; F115-I119 WeakPolarHBondContact O-CG1 3.22Å; F115-I119 PolarHBondContact O-N 3.38Å
116V89.6Confident88.1Confident80 Ų8084.7 Ų84.749%0.48549%0.494SS..Hα-helixtrans-60.5-41.8177.4171.60000111.3G112 S113 F118 I119 L120G112-V116 WeakPolarHBondContact O-CG2 3.05Å; G112-V116 PolarHBondContact O-N 2.89Å; S113-V116 PolarHBondContact O-N 2.84Å; V116-F118 PolarHBondContact O-N 3.43Å; V116-I119 PolarHBondContact O-N 3.01Å; V116-L120 HydrophobicContact CG1-CD1 4Å; V116-L120 HydrophobicContact CG1-CG 4.38Å; V116-L120 WeakPolarHBondContact O-CG 3.3Å; V116-L120 PolarHBondContact O-N 2.79Å
117A84.1Confident88.4Confident49 Ų4985 Ų8541%0.40550%0.496SS..Hα-helixtrans-60.3-43.9175.800000112.3S113 V114 F115 L120 V121S113-A117 WeakPolarHBondContact O-CB 3.23Å; S113-A117 PolarHBondContact O-N 3.15Å; V114-A117 PolarHBondContact O-N 3.01Å; F115-A117 VanDerWaalsContact C-N 3.32Å; F115-A117 PolarHBondContact O-N 3.17Å; A117-L120 PolarHBondContact O-N 3.5Å; A117-V121 WeakPolarHBondContact O-CB 3.16Å; A117-V121 WeakPolarHBondContact O-CG2 3.33Å; A117-V121 PolarHBondContact O-N 2.9Å
118F91.9Very high88.2Confident150 Ų15085 Ų8566%0.65850%0.496SS*.Hα-helixtrans-64.7-38.5175.2-77.2-54.5000113.1V114 F115 V116 G122V114-F118 HydrophobicContact CG1-CD2 3.73Å; V114-F118 HydrophobicContact CG1-CE2 3.41Å; V114-F118 VanDerWaalsContact CG1-CE2 3.41Å; V114-F118 HydrophobicContact CG1-CZ 4.44Å; V114-F118 WeakPolarHBondContact O-CD2 3.4Å; V114-F118 PolarHBondContact O-N 2.79Å; F115-F118 PolarHBondContact O-N 2.87Å; V116-F118 PolarHBondContact O-N 3.43Å; F118-G122 PolarHBondContact O-N 2.9Å
119I92.2Very high88.2Confident100 Ų10080.7 Ų80.751%0.51348%0.484SS..Hα-helixtrans-63.9-43.8174.6-64.8-63000110.8F115 V116 S123F115-I119 HydrophobicContact CD1-CG1 4.36Å; F115-I119 HydrophobicContact CE1-CG1 3.96Å; F115-I119 HydrophobicContact CE2-CD1 4.22Å; F115-I119 HydrophobicContact CE2-CG1 4.22Å; F115-I119 HydrophobicContact CZ-CD1 4.01Å; F115-I119 HydrophobicContact CZ-CG1 3.89Å; F115-I119 WeakPolarHBondContact O-CG1 3.22Å; F115-I119 PolarHBondContact O-N 3.38Å; V116-I119 PolarHBondContact O-N 3.01Å; I119-S123 VanDerWaalsContact O-CB 3.31Å; I119-S123 WeakPolarHBondContact O-CB 3.35Å; I119-S123 PolarHBondContact O-N 3.29Å; I119-S123 PolarHBondContact O-OG 2.89Å
120L87.4Confident88Confident91 Ų9179 Ų7948%0.47648%0.482SS..Hα-helixtrans-62.7-53.3177-70.6171.9000111.6V116 A117 G122 S123 V124V116-L120 HydrophobicContact CG1-CD1 4Å; V116-L120 HydrophobicContact CG1-CG 4.38Å; V116-L120 WeakPolarHBondContact O-CG 3.3Å; V116-L120 PolarHBondContact O-N 2.79Å; A117-L120 PolarHBondContact O-N 3.5Å; L120-G122 PolarHBondContact O-N 3.31Å; L120-S123 PolarHBondContact O-N 3.11Å; L120-S123 PolarHBondContact O-OG 3.45Å; L120-V124 WeakPolarHBondContact O-CG2 3.23Å; L120-V124 PolarHBondContact O-N 3.42Å
121V87.2Confident87.3Confident92 Ų9280.8 Ų80.856%0.55848%0.482SS*.Hα-helixtrans-60.7-44.3178.8172.90000111.4A117 S123 V124 V125A117-V121 WeakPolarHBondContact O-CB 3.16Å; A117-V121 WeakPolarHBondContact O-CG2 3.33Å; A117-V121 PolarHBondContact O-N 2.9Å; V121-S123 VanDerWaalsContact C-N 3.32Å; V121-S123 PolarHBondContact O-N 3.32Å; V121-V124 PolarHBondContact O-N 2.8Å; V121-V125 WeakPolarHBondContact O-CG2 3.18Å; V121-V125 PolarHBondContact O-N 3.31Å
122G90.3Very high86.1Confident39 Ų3981.3 Ų81.340%0.40249%0.489SS..Hα-helixtrans-60.7-39.317600000112.7F118 L120 V125 A126F118-G122 PolarHBondContact O-N 2.9Å; L120-G122 PolarHBondContact O-N 3.31Å; G122-V125 PolarHBondContact O-N 2.85Å; G122-A126 VanDerWaalsContact O-CB 3.31Å; G122-A126 WeakPolarHBondContact O-CB 3.28Å; G122-A126 PolarHBondContact O-N 3.35Å
123S87.6Confident84.9Confident57 Ų5786.5 Ų86.540%0.39951%0.508SS..Hα-helixtrans-66-40.4175.878.70000112.4I119 L120 V121 A126 V127I119-S123 VanDerWaalsContact O-CB 3.31Å; I119-S123 WeakPolarHBondContact O-CB 3.35Å; I119-S123 PolarHBondContact O-N 3.29Å; I119-S123 PolarHBondContact O-OG 2.89Å; L120-S123 PolarHBondContact O-N 3.11Å; L120-S123 PolarHBondContact O-OG 3.45Å; V121-S123 VanDerWaalsContact C-N 3.32Å; V121-S123 PolarHBondContact O-N 3.32Å; S123-A126 PolarHBondContact O-N 3.27Å; S123-V127 WeakPolarHBondContact O-CB 3.49Å; S123-V127 WeakPolarHBondContact O-CG2 3.37Å; S123-V127 PolarHBondContact O-N 3.32Å
124V85.8Confident83.3Confident72 Ų7292.1 Ų92.144%0.43652%0.519SS..Hα-helixtrans-64.4-47.3175.3173.30000110.4L120 V121 A126 V127 C128L120-V124 WeakPolarHBondContact O-CG2 3.23Å; L120-V124 PolarHBondContact O-N 3.42Å; V121-V124 PolarHBondContact O-N 2.8Å; V124-A126 VanDerWaalsContact C-N 3.34Å; V124-A126 PolarHBondContact O-N 2.89Å; V124-V127 PolarHBondContact O-N 2.85Å; V124-C128 WeakPolarHBondContact O-CB 3.31Å; V124-C128 PolarHBondContact O-N 3.49Å; V124-C128 PolarHBondContact O-SG 3.39Å
125V90.4Very high81.5Confident84 Ų8494.2 Ų94.251%0.50953%0.534SS..Hα-helixtrans-59.6-44.4175.9173.40000111V121 G122 V127 C128 C129V121-V125 WeakPolarHBondContact O-CG2 3.18Å; V121-V125 PolarHBondContact O-N 3.31Å; G122-V125 PolarHBondContact O-N 2.85Å; V125-V127 PolarHBondContact O-N 3.3Å; V125-C128 PolarHBondContact O-N 2.9Å; V125-C129 WeakPolarHBondContact O-CB 3.31Å; V125-C129 PolarHBondContact O-N 2.88Å; V125-C129 PolarHBondContact O-SG 3.46Å; V125-C129 VanDerWaalsContact O-SG 3.32Å
126A86.4Confident79.3Confident51 Ų5196.2 Ų96.242%0.42154%0.542SS..Hα-helixtrans-61.8-43.5176.900000112.4G122 S123 V124 C130G122-A126 VanDerWaalsContact O-CB 3.31Å; G122-A126 WeakPolarHBondContact O-CB 3.28Å; G122-A126 PolarHBondContact O-N 3.35Å; S123-A126 PolarHBondContact O-N 3.27Å; V124-A126 VanDerWaalsContact C-N 3.34Å; V124-A126 PolarHBondContact O-N 2.89Å; A126-C130 VanDerWaalsContact O-CB 3.27Å; A126-C130 WeakPolarHBondContact O-CB 3.4Å; A126-C130 PolarHBondContact O-N 3.03Å; A126-C130 PolarHBondContact O-SG 3.44Å
127V85.3Confident77.4Confident73 Ų73100.4 Ų100.444%0.44256%0.556SS.*Hα-helixtrans-66.3-41.8176.4170.80000111.3S123 V124 V125 C130 R131S123-V127 WeakPolarHBondContact O-CB 3.49Å; S123-V127 WeakPolarHBondContact O-CG2 3.37Å; S123-V127 PolarHBondContact O-N 3.32Å; V124-V127 PolarHBondContact O-N 2.85Å; V125-V127 PolarHBondContact O-N 3.3Å; V127-C130 PolarHBondContact O-N 2.71Å; V127-R131 HydrophobicContact CG1-CG 4.31Å; V127-R131 WeakPolarHBondContact O-CB 3.39Å; V127-R131 WeakPolarHBondContact O-CG 3.33Å; V127-R131 PolarHBondContact O-N 3.18Å
128C80.9Confident75.8Confident67 Ų67105 Ų10545%0.45357%0.569SS.*Hα-helixtrans-60.7-50.3174.8-73.70000111.4V124 V125 C130 R131 C132V124-C128 WeakPolarHBondContact O-CB 3.31Å; V124-C128 PolarHBondContact O-N 3.49Å; V124-C128 PolarHBondContact O-SG 3.39Å; V125-C128 PolarHBondContact O-N 2.9Å; C128-C130 PolarHBondContact O-N 3.46Å; C128-R131 PolarHBondContact O-N 2.91Å; C128-R131 VanDerWaalsContact O-N 3.11Å; C128-C132 PolarHBondContact O-N 2.93Å; C128-C132 PolarHBondContact O-SG 2.85Å; C128-C132 VanDerWaalsContact O-SG 3.37Å
129C85.3Confident73.8Confident61 Ų61105.5 Ų105.541%0.41258%0.579SS.*Hα-helixtrans-58.7-46.9175.5-71.70000111.7V125 R131 C132 L133V125-C129 WeakPolarHBondContact O-CB 3.31Å; V125-C129 PolarHBondContact O-N 2.88Å; V125-C129 PolarHBondContact O-SG 3.46Å; V125-C129 VanDerWaalsContact O-SG 3.32Å; C129-R131 PolarHBondContact O-N 3.44Å; C129-C132 PolarHBondContact O-N 3.35Å; C129-L133 WeakPolarHBondContact O-CB 3.49Å; C129-L133 VanDerWaalsContact O-CG 3.28Å; C129-L133 WeakPolarHBondContact O-CG 3.37Å; C129-L133 PolarHBondContact O-N 3.25Å
130C81.3Confident71.6Confident87 Ų87106 Ų10659%0.58859%0.591SS**Hα-helixtrans-67.3-20.3176.8-72.90000114.1A126 V127 C128 R134A126-C130 VanDerWaalsContact O-CB 3.27Å; A126-C130 WeakPolarHBondContact O-CB 3.4Å; A126-C130 PolarHBondContact O-N 3.03Å; A126-C130 PolarHBondContact O-SG 3.44Å; V127-C130 PolarHBondContact O-N 2.71Å; C128-C130 PolarHBondContact O-N 3.46Å; C130-R134 WeakPolarHBondContact O-CG 3.12Å; C130-R134 PolarHBondContact O-N 3Å
131R71.2Confident69.4Low133 Ų133106.5 Ų106.550%0.50260%0.602SS.*Hα-helixtrans-83.1-40.3172.9-75-78.2139.374.4-1111.9V127 C128 C129V127-R131 HydrophobicContact CG1-CG 4.31Å; V127-R131 WeakPolarHBondContact O-CB 3.39Å; V127-R131 WeakPolarHBondContact O-CG 3.33Å; V127-R131 PolarHBondContact O-N 3.18Å; C128-R131 PolarHBondContact O-N 2.91Å; C128-R131 VanDerWaalsContact O-N 3.11Å; C129-R131 PolarHBondContact O-N 3.44Å
132C69.9Low67.3Low114 Ų114107 Ų10777%0.7762%0.615SS**Hα-helixtrans-74.8-32176.3-64.40000113.2C128 C129C128-C132 PolarHBondContact O-N 2.93Å; C128-C132 PolarHBondContact O-SG 2.85Å; C128-C132 VanDerWaalsContact O-SG 3.37Å; C129-C132 PolarHBondContact O-N 3.35Å
133L63.2Low64.8Low141 Ų141108.1 Ų108.174%0.73863%0.627SS**SBendtrans-93.6-0.5-179.9-63.4174.1000113.8C129 P135C129-L133 WeakPolarHBondContact O-CB 3.49Å; C129-L133 VanDerWaalsContact O-CG 3.28Å; C129-L133 WeakPolarHBondContact O-CG 3.37Å; C129-L133 PolarHBondContact O-N 3.25Å; L133-P135 WeakPolarHBondContact O-CD 3.27Å; L133-P135 VanDerWaalsContact O-N 3.16Å
134R53.9Low62.1Low190 Ų190110.1 Ų110.172%0.71765%0.647SS**SBendtrans-65.8113.5169.6-110.9-159.8179.5-171.1-0.4108.3C130 K136C130-R134 WeakPolarHBondContact O-CG 3.12Å; C130-R134 PolarHBondContact O-N 3Å; R134-K136 PolarHBondContact O-N 2.97Å
135P54.9Low59.7Low114 Ų114113.4 Ų113.474%0.7467%0.674SS**  trans-64.4138.3179.1-1833000109L133 Q137L133-P135 WeakPolarHBondContact O-CD 3.27Å; L133-P135 VanDerWaalsContact O-N 3.16Å; P135-Q137 PolarHBondContact O-N 3.35Å
136K46.4Very low56.9Low176 Ų176112.4 Ų112.477%0.76568%0.68SS**  trans-69.284.3170.8-179.2-168.2165.6-175.10108.6R134 E138R134-K136 PolarHBondContact O-N 2.97Å; K136-E138 HydrophobicContact CD-CB 4.42Å; K136-E138 HydrophobicContact CG-CB 3.9Å; K136-E138 HydrophobicContact CG-CG 4.14Å; K136-E138 PolarHBondContact O-N 2.93Å
137Q50Low54.5Low167 Ų167116.2 Ų116.278%0.7870%0.704SS**  trans-76.153.8172.6-164.2-178.3-35.400111.2P135P135-Q137 PolarHBondContact O-N 3.35Å
138E49.4Very low52Low145 Ų145116.3 Ų116.368%0.67872%0.72SS**  trans-116.678.1172.2-70-78.4169.600106.5K136K136-E138 HydrophobicContact CD-CB 4.42Å; K136-E138 HydrophobicContact CG-CB 3.9Å; K136-E138 HydrophobicContact CG-CG 4.14Å; K136-E138 PolarHBondContact O-N 2.93Å
139L50.8Low49.7Very low162 Ų162118.9 Ų118.985%0.84874%0.738SS**SBendtrans154.953.9162-84.6162.2000113.3
140S45.9Very low47.4Very low111 Ų111120.4 Ų120.478%0.77676%0.755SS**SBendtrans-156.330.4149.8-161.90000113.9
141S41Very low45.4Very low100 Ų100120.3 Ų120.370%0.69977%0.769SS**  trans-142.630.4170.3-52.10000111.8G143S141-G143 VanDerWaalsContact C-N 3.27Å; S141-G143 PolarHBondContact O-N 2.84Å; S141-G143 VanDerWaalsContact O-N 3.16Å
142A43.8Very low43.7Very low102 Ų102117.8 Ų117.884%0.84378%0.784SS**  trans-83.872.8167.300000109
143G36.6Very low42.6Very low63 Ų63124.2 Ų124.265%0.64979%0.792SS**SBendtrans-176.9128.4-178.800000112.8S141S141-G143 VanDerWaalsContact C-N 3.27Å; S141-G143 PolarHBondContact O-N 2.84Å; S141-G143 VanDerWaalsContact O-N 3.16Å
144A32.8Very low41.4Very low100 Ų100125.5 Ų125.583%0.82680%0.799SS**  trans57.467.7169.200000117.8G146A144-G146 PolarHBondContact O-N 3.08Å
145S34.3Very low41.2Very low141 Ų141123.5 Ų123.599%0.98680%0.802SS**  trans-69.383137.6-65.40000108.3
146G31.5Very low40.5Very low63 Ų63127.2 Ų127.265%0.64981%0.81SS**  trans-128.1114-17700000111.6A144A144-G146 PolarHBondContact O-N 3.08Å
147S36.6Very low40.2Very low131 Ų131123.9 Ų123.992%0.91680%0.804SS**  trans-75.3120.4174.353.70000110.8
148G32.3Very low40Very low75 Ų75123.1 Ų123.177%0.77380%0.804SS**  trans-175.5120.4-18000000114.9
149S33.5Very low39.8Very low121 Ų121122 Ų12285%0.84681%0.809SS**  trans-60.8167.9176-169.20000115.6
150A37.3Very low39.2Very low92 Ų92121.9 Ų121.976%0.7681%0.806SS**  trans69.5120.7152.500000119.3
151G38.6Very low38.6Very low86 Ų86125.2 Ų125.289%0.88781%0.811SS**  trans-68.9164.8175.800000116
152G34.5Very low38.3Very low80 Ų80125.6 Ų125.683%0.82582%0.82SS**  trans-150.4129.6169.100000110.1
153R47Very low37.9Very low248 Ų248126 Ų12694%0.93682%0.817SS**  trans-85.2132.3161.8-64.2-179.7178.7-150.41.5107.6
154L37.9Very low37.8Very low169 Ų169128.8 Ų128.889%0.88583%0.827SS**  trans-151.3158.2156.3-15060000111.9
155L50.1Low37.9Very low147 Ų147129.2 Ų129.277%0.7782%0.824SS**  trans-88.1139.6179.9-76.961.3000110.3
156E41.4Very low38Very low193 Ų193134.7 Ų134.790%0.90282%0.823SS**  trans-135.883.6157.5-154.1170.8149.100106.2
157T39.5Very low38.1Very low106 Ų106135.5 Ų135.565%0.6583%0.832SS**  60.398.671.8-51.90000111P159T157-P159 WeakPolarHBondContact O-CD 3.33Å
158I45.2Very low37.9Very low151 Ų151135.2 Ų135.277%0.77483%0.829SS**PPolyproline II helixtrans-72.6128.4-179.3-60.1159.8000110.7M160I158-M160 HydrophobicContact CG2-CG 4.18Å
159P45.5Very low38.1Very low120 Ų120136.8 Ų136.878%0.77983%0.828SS**PPolyproline II helixtrans-96.6143.4149.733.1-24.4000110.3T157T157-P159 WeakPolarHBondContact O-CD 3.33Å
160M37.2Very low38.4Very low160 Ų160136.7 Ų136.779%0.78883%0.828SS**PPolyproline II helixtrans-99.7161.5-177.5-66.6-145.8-62.700113.9I158I158-M160 HydrophobicContact CG2-CG 4.18Å
161M34.7Very low38.3Very low181 Ų181143.7 Ų143.789%0.89284%0.835SS**  trans73.7105.2159.4-56.8-156.6-77.100119.1
162A34.3Very low38.1Very low108 Ų108148.7 Ų148.789%0.89384%0.835SS**  trans-138.9136.7132.600000108.1
163S34.7Very low38.4Very low110 Ų110150.2 Ų150.277%0.76983%0.833SS**  trans-126.3136.4-173.952.80000111.6
164S34.7Very low38Very low122 Ų122144.4 Ų144.485%0.85383%0.83SS**  trans-179.5124.1141.6-84.10000113.2
165S34.7Very low38Very low110 Ų110142.6 Ų142.677%0.76983%0.827SS**  trans-33.2140.7168.543.10000119.7
166R36.3Very low37.5Very low255 Ų255140 Ų14096%0.96283%0.826SS**  -170.9119121.7-101.5159.1-176.4-178.91.6111.1
167G34.6Very low37.2Very low81 Ų81137 Ų13784%0.83582%0.821SS**  trans-179.578.4-176.600000114.5
168S32.1Very low37Very low124 Ų124136.7 Ų136.787%0.86782%0.823SS**  trans-72.8154.4165.3-62.20000110.4
169S37.3Very low36.7Very low108 Ų108134.8 Ų134.876%0.75582%0.824SS**  cis-165.4150.1-6.544.40000110
170S39.4Very low36.1Very low119 Ų119133.8 Ų133.883%0.83282%0.819SS**  trans-103.9123.4-178.5-48.80000113.4
171R34.6Very low36Very low240 Ų240131.8 Ų131.891%0.90682%0.821SS**  trans-147106.8160.3-64.3-175.8-179-95.6-0.2106.6
172Q34.9Very low36.1Very low191 Ų191129 Ų12989%0.89382%0.819SS**  67.2132.868.8-72.1-167-2300115.3
173S39.5Very low36.2Very low111 Ų111128.2 Ų128.278%0.77681%0.813SS**  trans-77173.6-162.6-37.40000115.7
174S39.4Very low37.1Very low127 Ų127128.7 Ų128.789%0.88881%0.814SS**  trans-151.7157.4156.1-74.20000110.1
175T37.1Very low37.8Very low131 Ų131128.3 Ų128.380%0.80481%0.808SS**  trans-148.1135.8-158.1-33.70000113.2
176A39.8Very low37.8Very low93 Ų93128.1 Ų128.177%0.76981%0.813SS**  trans59.7178165.600000116.3
177T36.2Very low37.7Very low128 Ų128120 Ų12079%0.78581%0.809SS**  cis-110.3-160.1-12.249.50000109.2
178S35.6Very low37.6Very low100 Ų100121.1 Ų121.170%0.69981%0.81SS**  cis-161.5167.66.1-150000106.9
179S37.8Very low37.8Very low112 Ų112127.1 Ų127.178%0.78381%0.814SS**  cis-142.2-130.6-1.7-67.90000107.1
180S33.8Very low37.7Very low98 Ų98126.9 Ų126.969%0.68582%0.818SS**  cis-171.1140-15320000109.4
181S34.6Very low37.5Very low118 Ų118124.6 Ų124.683%0.82581%0.813SS**  trans60.4132.5160.7-51.60000118.1
182S36Very low37.8Very low122 Ų122119.5 Ų119.585%0.85381%0.811SS**  cis-145.6-177.99-64.30000110.9
183A36.8Very low38.3Very low93 Ų93114.7 Ų114.777%0.76981%0.805SS**  trans-148-178.6-179.100000110.8
184P53.7Low38.4Very low120 Ų120115.5 Ų115.578%0.77981%0.807SS**  cis-124.4-148-21.643.7-26.3000109.3
185P50.7Low38.5Very low114 Ų114117.6 Ų117.674%0.7481%0.807SS**  cis-134.3-178.9-14.842.2-24.9000116.5
186A33.4Very low38.7Very low106 Ų106119.7 Ų119.788%0.87681%0.81SS**  trans72.1117.2151.200000120.9
187G34.7Very low38.4Very low84 Ų84125.2 Ų125.287%0.86681%0.811SS**  trans164.5134.9169.700000110.7
188A32.5Very low38.5Very low104 Ų104124 Ų12486%0.8681%0.814SS**  trans-103.1132.1-167.700000114.8
189R35.6Very low38.6Very low250 Ų250127.1 Ų127.194%0.94382%0.818SS**  trans15.1113.4154.2-61.8178.4178.6169.5-0.9119
190A35.2Very low38.6Very low103 Ų103126.6 Ų126.685%0.85182%0.82SS**  -165.7138.2117.900000109.9
191G35.7Very low38.7Very low71 Ų71127 Ų12773%0.73282%0.823SS**PPolyproline II helixtrans-99.2144.217600000111.8
192P41.3Very low38.7Very low133 Ų133126.9 Ų126.986%0.86482%0.821SS**PPolyproline II helixtrans-73141.7176.530.4-34.3000111.9
193A44.7Very low38.7Very low91 Ų91126.6 Ų126.675%0.75282%0.818SS**PPolyproline II helixtrans-75.2152.7171.800000111.4
194P42.8Very low39.2Very low127 Ų127129.9 Ų129.983%0.82582%0.821SS**PPolyproline II helixtrans-70139.4-177.928.5-35000112.5M196P194-M196 PolarHBondContact O-N 3.48Å
195L40.9Very low38.8Very low171 Ų171129.2 Ų129.290%0.89582%0.817SS**  trans-77.1104.1-176.4-153.8169.5000110.2
196M40.8Very low38.6Very low176 Ų176128.7 Ų128.787%0.86781%0.813SS**  trans-73.5129.2-178.2-117.4-60.2159.200111.9P194 A198P194-M196 PolarHBondContact O-N 3.48Å; M196-A198 PolarHBondContact O-N 2.9Å
197R34.1Very low39.3Very low209 Ų209131.4 Ų131.479%0.78981%0.813SS**  trans-85.1104.8-173.2-172.8-174.7-169.697.4-2.1110.8Q199R197-Q199 PolarHBondContact O-N 2.86Å
198A37.1Very low39.7Very low102 Ų102131.2 Ų131.284%0.84380%0.804SS**  trans-60.7119.9172.900000111.3M196M196-A198 PolarHBondContact O-N 2.9Å
199Q37.5Very low40.6Very low166 Ų166132.4 Ų132.478%0.77681%0.805SS**  trans-112.1109.9165-76.4-170-30.100108.8R197 S201R197-Q199 PolarHBondContact O-N 2.86Å; Q199-S201 PolarHBondContact O-N 2.84Å
200A37.9Very low41Very low101 Ų101125.8 Ų125.884%0.83579%0.792SS**  trans-78.685.9172.300000109.7
201S35.8Very low41.7Very low105 Ų105130.7 Ų130.773%0.73480%0.795SS**  trans-105.297.8174.6-172.90000109.9Q199 C203Q199-S201 PolarHBondContact O-N 2.84Å; S201-C203 PolarHBondContact O-N 3.42Å
202C34.9Very low42.1Very low117 Ų117132.9 Ų132.979%0.79179%0.794SS**  trans-77.389.9-170.6-61.50000112.8
203C36.9Very low42.3Very low116 Ų116133.9 Ų133.978%0.78479%0.792SS**  trans-141.997.1163.8-78.80000109.2S201S201-C203 PolarHBondContact O-N 3.42Å
204L48Very low42.1Very low162 Ų162136.7 Ų136.785%0.84879%0.792SS**PPolyproline II helixtrans-98.2134.4168.2-85.977.1000109.5
205P43.8Very low41.9Very low105 Ų105135.9 Ų135.968%0.68279%0.786SS**PPolyproline II helixtrans-72.8162158.134.4-34000110.2
206P47.7Very low42.6Very low103 Ų103134.3 Ų134.367%0.66978%0.784SS**SBendtrans-65.6169.1163.931.5-35.5000111.4
207D47.6Very low42.9Very low164 Ų164132.9 Ų132.988%0.87778%0.78SS**  trans66.458165.3-50.6-36.5000117.4
208A42.7Very low43Very low80 Ų80132.5 Ų132.566%0.66178%0.784SS**  trans-139.6100.4159.800000112.1V210A208-V210 VanDerWaalsContact C-N 3.35Å; A208-V210 HydrophobicContact CB-CG2 4.37Å; A208-V210 PolarHBondContact O-N 3.16Å
209S52.4Low43.2Very low128 Ų128132.7 Ų132.790%0.89578%0.78SS**  trans-76.879.2174.859.40000111.4F211S209-F211 PolarHBondContact O-N 3.41Å
210V43.9Very low43.4Very low111 Ų111131 Ų13167%0.67378%0.78SS**  trans-75.8108.4-178.6-175.10000110.8A208 V212A208-V210 VanDerWaalsContact C-N 3.35Å; A208-V210 HydrophobicContact CB-CG2 4.37Å; A208-V210 PolarHBondContact O-N 3.16Å; V210-V212 HydrophobicContact CG1-CG1 4.09Å; V210-V212 PolarHBondContact O-N 3.07Å
211F49.1Very low44Very low206 Ų206133.6 Ų133.690%0.90478%0.779SS**  trans-76.884.1175.3-148.7-80.6000110.3S209 N213S209-F211 PolarHBondContact O-N 3.41Å; F211-N213 PolarHBondContact O-N 3.36Å
212V45.3Very low44.2Very low118 Ų118135.3 Ų135.372%0.71578%0.78SS**  trans-71.598.6178.7-85.10000111.7V210 M214V210-V212 HydrophobicContact CG1-CG1 4.09Å; V210-V212 PolarHBondContact O-N 3.07Å; V212-M214 PolarHBondContact O-N 3.22Å
213N45.3Very low44Very low154 Ų154135.3 Ų135.382%0.82478%0.78SS**  trans-67.6112.6165.2-178.413000109.5F211F211-N213 PolarHBondContact O-N 3.36Å
214M39.3Very low44Very low150 Ų150138.7 Ų138.774%0.73978%0.784SS**  trans-114.8123.3-173.5-170.965.8167.100111V212V212-M214 PolarHBondContact O-N 3.22Å
215P39.6Very low43.6Very low110 Ų110139.8 Ų139.871%0.71479%0.785SS**  trans-65.3133.2176.5-20.733000112.5N217P215-N217 VanDerWaalsContact C-N 3.33Å; P215-N217 PolarHBondContact O-N 3.21Å
216T55.6Low43.4Very low137 Ų137139.3 Ų139.384%0.8479%0.79SS**SBendtrans-83.662.2-173.346.90000113.8
217N46.1Very low43.1Very low147 Ų147140.2 Ų140.279%0.78679%0.794SS**  trans-156.694163.6-130.1-100.5000114.9P215P215-N217 VanDerWaalsContact C-N 3.33Å; P215-N217 PolarHBondContact O-N 3.21Å
218F37.6Very low42.8Very low200 Ų200141.1 Ų141.188%0.87779%0.793SS**  trans-167.3145134.1-124.1-87.2000109.6V220F218-V220 PolarHBondContact O-N 3.03Å
219S40.4Very low42.6Very low107 Ų107144.3 Ų144.375%0.74880%0.797SS**  trans-74.6121.2-174.2-59.90000112.7
220V42.6Very low42Very low130 Ų130146.1 Ų146.179%0.78879%0.794SS**  trans-88.4104.8166.1-178.80000108.9F218F218-V220 PolarHBondContact O-N 3.03Å
221L50.1Low41.9Very low156 Ų156145.8 Ų145.882%0.81780%0.796SS**  trans-102.2130.5156-86.196.5000109.9
222N38.9Very low41.4Very low141 Ų141143.9 Ų143.975%0.75479%0.79SS**  trans61.473163.2-15634.1000118.1
223C31.2Very low40.9Very low116 Ų116146.7 Ų146.778%0.78480%0.795SS**  trans-128.1102.3142.4-86.20000108.3Q225C223-Q225 PolarHBondContact O-N 3.03Å
224Q36.2Very low40.7Very low188 Ų188143.7 Ų143.788%0.87979%0.786SS**  trans-77.888.1-175.8-173.9174.3-4.500110.7
225Q41Very low40.6Very low184 Ų184145.9 Ų145.986%0.8680%0.795SS**  trans-77.1141.4174.2-125.7175.10.800110.9C223 T227C223-Q225 PolarHBondContact O-N 3.03Å; Q225-T227 PolarHBondContact O-N 3.03Å
226A38.6Very low40.6Very low96 Ų96150.1 Ų150.179%0.79380%0.802SS**  trans-70.3128.1-178.100000111.7Q228A226-Q228 PolarHBondContact O-N 3.22Å
227T42.4Very low39.6Very low122 Ų122152.5 Ų152.575%0.74881%0.806SS**  trans-70.3111.8-179.8-45.20000111.2Q225 I229Q225-T227 PolarHBondContact O-N 3.03Å; T227-I229 HydrophobicContact CG2-CD1 4.48Å; T227-I229 HydrophobicContact CG2-CG1 3.97Å; T227-I229 PolarHBondContact O-N 3.48Å
228Q40.1Very low39.4Very low183 Ų183153.6 Ų153.686%0.85581%0.806SS**  trans-64.5124.5161.5-72.5-76.3-3.400109A226A226-Q228 PolarHBondContact O-N 3.22Å
229I38.8Very low39.5Very low146 Ų146149.8 Ų149.875%0.74980%0.801SS**  trans-118.6123170.9-60.5-176000108.7T227T227-I229 HydrophobicContact CG2-CD1 4.48Å; T227-I229 HydrophobicContact CG2-CG1 3.97Å; T227-I229 PolarHBondContact O-N 3.48Å
230M40.1Very low39.6Very low166 Ų166152.9 Ų152.982%0.81880%0.804SS**  trans-62.7137.3-175.2-164.580.576.500111.8
231S41.1Very low39.3Very low105 Ų105156.9 Ų156.973%0.73481%0.807SS**  trans-75.3122.4174.255.40000112.1
232H39.1Very low39.1Very low166 Ų166155.8 Ų155.877%0.76980%0.8SS**  trans-148.7124.4161.8-100.5-72.5000114
233Q35Very low39.1Very low176 Ų176151.7 Ų151.782%0.82279%0.791SS**  trans64.1137.8159-65.2-64.5-200120.4
234S40.4Very low39.5Very low91 Ų91156.7 Ų156.764%0.63680%0.795SS**  trans-104.4132-177.554.10000112.1
235Q37.1Very low39.6Very low197 Ų197152 Ų15292%0.92179%0.789SS**  trans-136.3135.6158.9-69.3-168.3-12.800109.9
236F40.1Very low39.5Very low199 Ų199151.3 Ų151.387%0.87379%0.785SS**  trans-85.6142.1179.8-76.1-106.7000110.9
237M35.7Very low39.8Very low186 Ų186152.6 Ų152.692%0.91679%0.785SS**  trans-138.6141162.8-94.5-65.6173.700110.6
238H41.4Very low39.9Very low170 Ų170152.7 Ų152.779%0.78779%0.785SS**PPolyproline II helixtrans-78.7143.6-175.4-99.6-97.5000112.7
239P39.8Very low39.7Very low120 Ų120149.1 Ų149.178%0.77978%0.781SS**PPolyproline II helixtrans-63.8140.4158.1-16.831.2000110.8
240Q41.6Very low40Very low173 Ų173148 Ų14881%0.80878%0.783SS**PPolyproline II helixtrans-80.4150.1178.6-77.9-68-23.400112.7
241Y37.3Very low40.2Very low213 Ų213146.8 Ų146.884%0.83579%0.785SS**  trans-89.4107.5-175.9-169.2-87.6000110.7
242I45Very low40Very low134 Ų134146.4 Ų146.469%0.68779%0.788SS**  trans-93.9123.5164.7-96.760.1000108.1Y244I242-Y244 HydrophobicContact CG2-CD2 3.88Å; I242-Y244 HydrophobicContact CG2-CE2 3.7Å
243G39.6Very low39.9Very low54 Ų54143 Ų14356%0.55779%0.789SS**  trans-117.1129.7176.800000111.3
244Y39.2Very low40.1Very low222 Ų222144.1 Ų144.187%0.87179%0.791SS**  trans-124.5141.5164.6-73-78.5000108.5I242I242-Y244 HydrophobicContact CG2-CD2 3.88Å; I242-Y244 HydrophobicContact CG2-CE2 3.7Å
245A37.8Very low40Very low90 Ų90147.6 Ų147.674%0.74480%0.802SS**  trans-111.2130.7-167.400000112.6
246H38.8Very low39.9Very low169 Ų169143.1 Ų143.178%0.78278%0.784SS**  trans61.1155.7147-83.9-55.8000118.5
247P46.3Very low39.6Very low123 Ų123142.4 Ų142.480%0.79978%0.783SS**  cis-127-176.435.840.4-23.7000117
248V42.8Very low40Very low124 Ų124137.6 Ų137.675%0.75277%0.768SS**PPolyproline II helixtrans-78.4140.2-173.9-175.10000111.4
249S37.2Very low39.9Very low108 Ų108138.5 Ų138.576%0.75577%0.772SS**PPolyproline II helixtrans-97.8138.3166.7-61.50000111.3
250P44.7Very low39.7Very low123 Ų123135.8 Ų135.880%0.79977%0.766SS**PPolyproline II helixtrans-83.1152.8176.733.5-34.6000113.5
251T43.3Very low39.4Very low139 Ų139132.6 Ų132.685%0.85377%0.769SS**  trans-16.7127.6164.9-42.20000117.5
252A37.2Very low39.4Very low98 Ų98133.6 Ų133.681%0.8177%0.773SS**PPolyproline II helixtrans-72.7133.5166.100000111.4
253A37.6Very low39.5Very low94 Ų94138 Ų13878%0.77778%0.781SS**PPolyproline II helixtrans-82.3134.3175.200000111.3
254F39.2Very low39.8Very low200 Ų200141.3 Ų141.388%0.87779%0.793SS**PPolyproline II helixtrans-80.8122.8172.5-169.4-86.6000109.2
255L38.4Very low39.9Very low163 Ų163138.6 Ų138.685%0.85379%0.793SS**  trans-126.8133173.4-93.9171.2000110.4
256D34.6Very low40.2Very low104 Ų104143.5 Ų143.556%0.55680%0.8SS**  trans-74.4159.9179.6-179.663.6000112.3S258D256-S258 VanDerWaalsContact OD2-CB 3.23Å; D256-S258 WeakPolarHBondContact OD2-CB 3.35Å; D256-S258 PolarHBondContact OD2-N 3.42Å; D256-S258 PolarHBondContact OD2-OG 2.99Å
257H33.7Very low40.2Very low184 Ų184140.2 Ų140.285%0.85280%0.796SS**  trans-139.845.2172.9-128.968.1000114Q259H257-Q259 PolarHBondContact O-N 3.45Å; H257-Q259 VanDerWaalsContact O-N 3.08Å
258S44.7Very low40.1Very low84 Ų84140.5 Ų140.559%0.58780%0.798SS**  trans-81.669176.362.20000114.1D256D256-S258 VanDerWaalsContact OD2-CB 3.23Å; D256-S258 WeakPolarHBondContact OD2-CB 3.35Å; D256-S258 PolarHBondContact OD2-N 3.42Å; D256-S258 PolarHBondContact OD2-OG 2.99Å
259Q40Very low39.9Very low190 Ų190139.6 Ų139.689%0.88880%0.796SS**  trans-166.6128.7150.9-112.1152.5104.600113.9H257H257-Q259 PolarHBondContact O-N 3.45Å; H257-Q259 VanDerWaalsContact O-N 3.08Å
260G34.7Very low40.6Very low63 Ų63140.1 Ų140.165%0.64980%0.796SS**  trans-17184.7177.200000111Y262G260-Y262 PolarHBondContact O-N 3.01Å
261A36.3Very low40.9Very low105 Ų105139.5 Ų139.587%0.86879%0.792SS**  trans-78.7115.5-176.300000111.6R263A261-R263 PolarHBondContact O-N 3.29Å
262Y36.6Very low40.9Very low234 Ų234139 Ų13992%0.91879%0.792SS**  trans-67.3113.5174.4-75.1-93.5000111.3G260G260-Y262 PolarHBondContact O-N 3.01Å
263R46.6Very low41.1Very low227 Ų227141.1 Ų141.186%0.85780%0.795SS**PPolyproline II helixtrans-98.2124.7155.8-96.2-174.1171.9-95.82.5108.7A261A261-R263 PolarHBondContact O-N 3.29Å
264P45.7Very low41.2Very low123 Ų123141.5 Ų141.580%0.79980%0.798SS**PPolyproline II helixtrans-70.2131.2167.629.2-32.3000109.7
265L41.1Very low41.1Very low166 Ų166135 Ų13587%0.86979%0.788SS**PPolyproline II helixtrans-73143.2163.2-9866.7000109.1
266Q44.4Very low41Very low193 Ų193133.1 Ų133.190%0.90279%0.788SS**PPolyproline II helixtrans-78.8134.1172.4-71.9174.8-62.800110.2
267S39.8Very low41.1Very low99 Ų99133.7 Ų133.769%0.69280%0.8SS**PPolyproline II helixtrans-77.1131.7175.939.70000111.3C269S267-C269 VanDerWaalsContact C-N 3.27Å; S267-C269 PolarHBondContact O-N 2.99Å
268P42.7Very low41.1Very low130 Ų130128.3 Ų128.384%0.84479%0.794SS**  trans-84.960.5-176.835.3-36.7000112.5
269C39.8Very low40.6Very low104 Ų104130.5 Ų130.570%0.70380%0.804SS**  trans-117.7116.4174.8-65.60000110.7S267S267-C269 VanDerWaalsContact C-N 3.27Å; S267-C269 PolarHBondContact O-N 2.99Å
270P52Low40.4Very low119 Ų119126.8 Ų126.877%0.77380%0.799SS**PPolyproline II helixtrans-72.6138172.130.2-33.1000110.7
271P51.3Low40.7Very low110 Ų110131.2 Ų131.271%0.71481%0.808SS**PPolyproline II helixtrans-72.7150.617530.8-34.9000111.4T273P271-T273 PolarHBondContact O-N 3.23Å
272P42.3Very low41.1Very low129 Ų129133.8 Ų133.884%0.83881%0.807SS**PPolyproline II helixtrans-70.1122.3177.528.6-34.1000111.3A274P272-A274 PolarHBondContact O-N 3.07Å
273T41.8Very low41.2Very low142 Ų142132.4 Ų132.487%0.87181%0.806SS**  trans-77.289.1178270000112.1P271P271-T273 PolarHBondContact O-N 3.23Å
274A39.2Very low41.2Very low102 Ų102124.8 Ų124.884%0.84380%0.798SS**  trans-65.3132.1154.200000109.2P272P272-A274 PolarHBondContact O-N 3.07Å
275G37.2Very low41.8Very low65 Ų65124.8 Ų124.867%0.6780%0.798SS**  trans-97.3-171.8-168.100000116
276S36.6Very low42.3Very low123 Ų123122.7 Ų122.786%0.8680%0.795SS**  trans75.6139.3-176.881.60000114.8
277S36Very low42.8Very low116 Ų116120.3 Ų120.381%0.81179%0.793SS**  cis-158.6149.3-1.949.30000113.4
278G34.3Very low43.4Very low70 Ų70121.8 Ų121.872%0.72280%0.798SS**  trans88.5152.3161.600000116.2
279T35Very low43.4Very low131 Ų131125.9 Ų125.980%0.80482%0.82SS**  cis-158.7139.9-1141.70000109.7
280S36Very low43.5Very low112 Ų112127 Ų12778%0.78383%0.826SS**  trans64.4161.5166.8-54.80000116.1
281D39.1Very low43.1Very low155 Ų155127.4 Ų127.483%0.82983%0.828SS**  cis-138.8164.212-127.1-51.5000113.5
282N45.8Very low42.6Very low160 Ų160128.3 Ų128.386%0.85684%0.835SS**  trans-90.3125.4-174.3-108.5-33.7000113
283K39.3Very low42.7Very low205 Ų205128.3 Ų128.389%0.89184%0.835SS**  trans-156.898.8159.2-152.9167.9-171.9175.30115
284G45.4Very low42.7Very low67 Ų67127.4 Ų127.469%0.69183%0.832SS**PPolyproline II helixtrans-88.7149.8164.100000112.3
285P59.7Low42.9Very low123 Ų123129.1 Ų129.180%0.79983%0.832SS**PPolyproline II helixtrans-83.2156.1171.734.7-34.3000112
286P51.6Low43.4Very low122 Ų122133.7 Ų133.779%0.79284%0.843SS**PPolyproline II helixtrans-84.6144.8177.134.1-33.9000112.2
287V54.8Low43.9Very low143 Ų143134.5 Ų134.587%0.86784%0.842SS**  trans-134.4119.5159.5-178.70000108.4
288T50.8Low44.5Very low130 Ų130136.1 Ų136.180%0.79884%0.844SS**  trans-97.5129.1169.647.50000110.1
289V42.8Very low45.5Very low215 Ų215142.1 Ų142.1100%1.30386%0.856SS**  -172.60113.1151.20000107.6

Retrieved 289 of 289 residues in 167.1 ms (Link to these results)