A0A3Q0KMN3_SCHMA Loading...

Similar to 16 kDa calcium-binding protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KMN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 aa.

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

 

Download Structure   AlphaSync Parameters   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
1M29.7Very low49.6Very low236 Ų236134 Ų134100%1.16368%0.678SS**  068.20-159.5165.6-164.100107.2M3M1-M3 PolarHBondContact O-N 2.8Å
2A39.8Very low51.3Low97 Ų97128.5 Ų128.580%0.80266%0.657SS**  trans-64.9107.5175.300000106K4A2-K4 PolarHBondContact O-N 2.88Å
3M39Very low53Low132 Ų132119.3 Ų119.365%0.6561%0.61SS**  trans-48.9124.1167.2-77.4-153.6-15300105.3M1 L5M1-M3 PolarHBondContact O-N 2.8Å; M3-L5 PolarHBondContact O-N 2.83Å
4K40.9Very low54.5Low198 Ų198113.1 Ų113.186%0.86158%0.578SS**  trans-61.382.8176.3-75.5-179.3174-176.90107.4A2 N6A2-K4 PolarHBondContact O-N 2.88Å; K4-N6 PolarHBondContact O-N 2.75Å; K4-N6 VanDerWaalsContact O-N 3.12Å
5L45.1Very low56.1Low53 Ų53111.8 Ų111.828%0.27757%0.569SS.*  trans-70.73.8175.8-82.8153.5000111.8M3 T7 M8 L13 L71M3-L5 PolarHBondContact O-N 2.83Å; L5-T7 PolarHBondContact O-N 3.35Å; L5-M8 PolarHBondContact O-N 3.36Å; L5-L13 HydrophobicContact CD2-CD1 3.55Å; L5-L13 HydrophobicContact CD2-CD2 4.04Å; L5-L13 HydrophobicContact CD2-CG 4.46Å; L5-L71 HydrophobicContact CD1-CB 3.97Å; L5-L71 HydrophobicContact CD1-CD2 3.47Å; L5-L71 VanDerWaalsContact CD1-CD2 3.47Å; L5-L71 HydrophobicContact CD1-CG 4.32Å; L5-L71 WeakPolarHBondContact CD1-O 3.44Å; L5-L71 HydrophobicContact CD2-CD2 3.73Å; L5-L71 HydrophobicContact CG-CD2 4.2Å
6N48.8Very low57.4Low153 Ų153110.9 Ų110.982%0.81856%0.56SS**THydrogen-bonded Turntrans-60.18.4-174.3-158.454.7000115.7K4K4-N6 PolarHBondContact O-N 2.75Å; K4-N6 VanDerWaalsContact O-N 3.12Å
7T51.1Low58.7Low135 Ų135104.4 Ų104.483%0.82853%0.527SS*.THydrogen-bonded Turntrans-147.3-7.817836.20000115.6L5L5-T7 PolarHBondContact O-N 3.35Å
8M54.2Low59.9Low107 Ų107105.2 Ų105.253%0.52752%0.523SS..SBendtrans-91.2114.2173.6-74.8-172.6-156.200108.6L5 L13L5-M8 PolarHBondContact O-N 3.36Å; M8-L13 HydrophobicContact CB-CD1 3.92Å; M8-L13 HydrophobicContact CB-CD2 4.3Å; M8-L13 HydrophobicContact CB-CG 3.99Å; M8-L13 HydrophobicContact SD-CD2 4.1Å
9D63Low60.9Low105 Ų105106.3 Ų106.356%0.56153%0.527SS*.  trans-55.5138.6175.4-165.3-78.4000109.6R11 T12 L13D9-R11 PolarHBondContact O-N 3.21Å; D9-R11 WeakPolarHBondContact OD1-CB 3.44Å; D9-R11 PolarHBondContact OD1-N 3.4Å; D9-T12 WeakPolarHBondContact O-CB 3.29Å; D9-T12 PolarHBondContact O-N 2.77Å; D9-L13 PolarHBondContact O-N 3Å
10R67.1Low61.9Low92 Ų92101.7 Ų101.735%0.34750%0.504SS..Hα-helixtrans-43.7-39.1175.9173172177171.5-2.4110.8L13 I14 L73 D112R10-L13 PolarHBondContact O-N 3.3Å; R10-I14 HydrophobicContact CG-CD1 3.71Å; R10-I14 HydrophobicContact CG-CG1 4.44Å; R10-I14 VanDerWaalsContact O-CG1 3.31Å; R10-I14 WeakPolarHBondContact O-CG1 3.41Å; R10-I14 PolarHBondContact O-N 2.88Å; R10-L73 HydrophobicContact CB-CD1 4.37Å; R10-L73 HydrophobicContact CB-CD2 4.04Å; R10-L73 HydrophobicContact CG-CB 4.45Å; R10-L73 HydrophobicContact CG-CD1 4.18Å; R10-L73 HydrophobicContact CG-CD2 4.5Å; R10-L73 PolarHBondContact NH1-O 3.3Å; R10-D112 IonicContact NH2-OD1 2.94Å
11R67.4Low62.9Low166 Ų16697 Ų9763%0.62648%0.481SS*.Hα-helixtrans-60.5-45.8178-170.4-178.4171.39710.8112.9D9 L13 I14 E15D9-R11 PolarHBondContact O-N 3.21Å; D9-R11 WeakPolarHBondContact OD1-CB 3.44Å; D9-R11 PolarHBondContact OD1-N 3.4Å; R11-L13 VanDerWaalsContact C-N 3.3Å; R11-L13 PolarHBondContact O-N 3.35Å; R11-I14 PolarHBondContact O-N 3.33Å; R11-E15 IonicContact CZ-OE1 3.61Å; R11-E15 IonicContact NE-OE1 2.77Å; R11-E15 PolarHBondContact NE-OE1 2.71Å; R11-E15 VanDerWaalsContact NE-OE1 3.13Å; R11-E15 IonicContact NH2-OE1 3.27Å; R11-E15 PolarHBondContact NH2-OE1 3.38Å; R11-E15 WeakPolarHBondContact O-CB 3.21Å; R11-E15 VanDerWaalsContact O-CG 3.31Å; R11-E15 WeakPolarHBondContact O-CG 3.33Å; R11-E15 PolarHBondContact O-N 3.1Å
12T70.1Confident65.2Low68 Ų6891 Ų9142%0.41745%0.448SS..Hα-helixtrans-65.9-34.4-179.6-54.10000111.9D9 K16D9-T12 WeakPolarHBondContact O-CB 3.29Å; D9-T12 PolarHBondContact O-N 2.77Å; T12-K16 WeakPolarHBondContact O-CB 3.34Å; T12-K16 PolarHBondContact O-N 3.12Å
13L73.4Confident67.1Low9 Ų990.8 Ų90.85%0.04743%0.434CS..Hα-helixtrans-70.8-43.4177.6-70.4158.7000111L5 M8 D9 R10 R11 K16 F17 Y67 L71 L73L5-L13 HydrophobicContact CD2-CD1 3.55Å; L5-L13 HydrophobicContact CD2-CD2 4.04Å; L5-L13 HydrophobicContact CD2-CG 4.46Å; M8-L13 HydrophobicContact CB-CD1 3.92Å; M8-L13 HydrophobicContact CB-CD2 4.3Å; M8-L13 HydrophobicContact CB-CG 3.99Å; M8-L13 HydrophobicContact SD-CD2 4.1Å; D9-L13 PolarHBondContact O-N 3Å; R10-L13 PolarHBondContact O-N 3.3Å; R11-L13 VanDerWaalsContact C-N 3.3Å; R11-L13 PolarHBondContact O-N 3.35Å; L13-K16 WeakPolarHBondContact O-CB 3.38Å; L13-K16 PolarHBondContact O-N 2.91Å; L13-F17 PolarHBondContact O-N 3.15Å; L13-Y67 HydrophobicContact CB-CE1 4.07Å; L13-Y67 WeakPolarHBondContact O-CE1 3.39Å; L13-L71 HydrophobicContact CB-CD1 4.03Å; L13-L71 HydrophobicContact CD1-CD1 4.08Å; L13-L71 HydrophobicContact CD2-CD1 4.13Å; L13-L71 HydrophobicContact CG-CD1 4.29Å; L13-L73 HydrophobicContact CB-CD1 4.04Å; L13-L73 HydrophobicContact CD1-CD1 3.75Å; L13-L73 HydrophobicContact CD1-CD2 4.17Å; L13-L73 HydrophobicContact CD1-CG 4.41Å
14I73.7Confident68.9Low33 Ų3389.3 Ų89.317%0.16944%0.435CS..Hα-helixtrans-64.4-42.7174.5-68172.6000111.2R10 R11 K16 F17 Y18 L64R10-I14 HydrophobicContact CG-CD1 3.71Å; R10-I14 HydrophobicContact CG-CG1 4.44Å; R10-I14 VanDerWaalsContact O-CG1 3.31Å; R10-I14 WeakPolarHBondContact O-CG1 3.41Å; R10-I14 PolarHBondContact O-N 2.88Å; R11-I14 PolarHBondContact O-N 3.33Å; I14-K16 PolarHBondContact O-N 3.37Å; I14-F17 WeakPolarHBondContact O-CB 3.08Å; I14-F17 PolarHBondContact O-N 3.42Å; I14-F17 VanDerWaalsContact O-N 3.15Å; I14-Y18 HydrophobicContact CG2-CD2 3.62Å; I14-Y18 HydrophobicContact CG2-CE2 3.25Å; I14-Y18 WeakPolarHBondContact O-CD2 3.12Å; I14-Y18 PolarHBondContact O-N 3.48Å; I14-L64 HydrophobicContact CG1-CD1 4.43Å
15E78.3Confident70.9Confident93 Ų9383.6 Ų83.644%0.43541%0.414SS..Hα-helixtrans-59.9-35.3174.2-77.2174.6169.400111.5R11 Q19R11-E15 IonicContact CZ-OE1 3.61Å; R11-E15 IonicContact NE-OE1 2.77Å; R11-E15 PolarHBondContact NE-OE1 2.71Å; R11-E15 VanDerWaalsContact NE-OE1 3.13Å; R11-E15 IonicContact NH2-OE1 3.27Å; R11-E15 PolarHBondContact NH2-OE1 3.38Å; R11-E15 WeakPolarHBondContact O-CB 3.21Å; R11-E15 VanDerWaalsContact O-CG 3.31Å; R11-E15 WeakPolarHBondContact O-CG 3.33Å; R11-E15 PolarHBondContact O-N 3.1Å; E15-Q19 WeakPolarHBondContact O-CB 3.45Å; E15-Q19 PolarHBondContact O-N 3.31Å
16K76.8Confident72.5Confident98 Ų9882.2 Ų82.243%0.42641%0.412SS..Hα-helixtrans-70.9-38.3175.7-166.3144.4-175.8177.70112.3T12 L13 I14 Q19 M20T12-K16 WeakPolarHBondContact O-CB 3.34Å; T12-K16 PolarHBondContact O-N 3.12Å; L13-K16 WeakPolarHBondContact O-CB 3.38Å; L13-K16 PolarHBondContact O-N 2.91Å; I14-K16 PolarHBondContact O-N 3.37Å; K16-Q19 WeakPolarHBondContact O-CB 3.46Å; K16-Q19 PolarHBondContact O-N 3.26Å; K16-M20 HydrophobicContact CD-CE 4.49Å; K16-M20 HydrophobicContact CG-CE 3.81Å; K16-M20 WeakPolarHBondContact O-CG 3.28Å; K16-M20 PolarHBondContact O-N 3.49Å; K16-M20 VanDerWaalsContact O-N 3.08Å
17F80.2Confident74.3Confident0 Ų077.2 Ų77.20%039%0.385CS..Hα-helixtrans-57.9-52.9171-175.8-83.8000110.6L13 I14 Q19 M20 D21 G26 L28 I62 L64 Y67L13-F17 PolarHBondContact O-N 3.15Å; I14-F17 WeakPolarHBondContact O-CB 3.08Å; I14-F17 PolarHBondContact O-N 3.42Å; I14-F17 VanDerWaalsContact O-N 3.15Å; F17-Q19 PolarHBondContact O-N 2.83Å; F17-M20 WeakPolarHBondContact O-CA 3.45Å; F17-M20 WeakPolarHBondContact O-CB 2.99Å; F17-M20 PolarHBondContact O-N 2.95Å; F17-D21 HydrophobicContact CE1-CB 4.37Å; F17-D21 WeakPolarHBondContact O-CB 3.38Å; F17-D21 PolarHBondContact O-N 3.32Å; F17-G26 WeakPolarHBondContact CZ-O 3.4Å; F17-L28 HydrophobicContact CD2-CD1 3.45Å; F17-L28 VanDerWaalsContact CD2-CD1 3.45Å; F17-L28 HydrophobicContact CD2-CG 3.93Å; F17-L28 HydrophobicContact CE1-CG 4.36Å; F17-L28 HydrophobicContact CE2-CB 4.36Å; F17-L28 HydrophobicContact CE2-CD1 3.46Å; F17-L28 VanDerWaalsContact CE2-CD1 3.46Å; F17-L28 HydrophobicContact CE2-CG 3.5Å; F17-L28 VanDerWaalsContact CE2-CG 3.5Å; F17-L28 HydrophobicContact CG-CD1 4.19Å; F17-L28 HydrophobicContact CZ-CD1 4.2Å; F17-L28 HydrophobicContact CZ-CG 3.73Å; F17-I62 HydrophobicContact CE2-CG2 4.29Å; F17-I62 WeakPolarHBondContact CE2-O 3.46Å; F17-I62 WeakPolarHBondContact CZ-O 3.36Å; F17-L64 HydrophobicContact CD1-CD1 4.02Å; F17-L64 HydrophobicContact CE1-CB 4.18Å; F17-L64 HydrophobicContact CE1-CD1 4.38Å; F17-L64 HydrophobicContact CG-CD1 4.15Å; F17-L64 HydrophobicContact CZ-CB 4.23Å; F17-Y67 HydrophobicContact CB-CD1 4.14Å; F17-Y67 HydrophobicContact CB-CE1 4.12Å; F17-Y67 AromaticContact CD2-CD1 3.96Å; F17-Y67 HydrophobicContact CD2-CD1 3.96Å; F17-Y67 AromaticContact CD2-CD2 4Å; F17-Y67 HydrophobicContact CD2-CD2 4Å; F17-Y67 AromaticContact CD2-CG 3.66Å; F17-Y67 HydrophobicContact CD2-CG 3.66Å; F17-Y67 HydrophobicContact CE2-CG 4.3Å; F17-Y67 HydrophobicContact CG-CD1 4.42Å
18Y78.9Confident76.1Confident118 Ų11870.9 Ų70.946%0.46335%0.346SS..Hα-helixtrans-63.3-25.3176.6-70.4-55.3000113.8I14 M20 D21I14-Y18 HydrophobicContact CG2-CD2 3.62Å; I14-Y18 HydrophobicContact CG2-CE2 3.25Å; I14-Y18 WeakPolarHBondContact O-CD2 3.12Å; I14-Y18 PolarHBondContact O-N 3.48Å; Y18-M20 VanDerWaalsContact C-N 3.34Å; Y18-D21 VanDerWaalsContact O-O 3.11Å
19Q80.1Confident77.7Confident127 Ų12767.2 Ų67.259%0.59333%0.33SS*.Hα-helixtrans-72.2-31.7173.1-173.4177.35700112E15 K16 F17 K22E15-Q19 WeakPolarHBondContact O-CB 3.45Å; E15-Q19 PolarHBondContact O-N 3.31Å; K16-Q19 WeakPolarHBondContact O-CB 3.46Å; K16-Q19 PolarHBondContact O-N 3.26Å; F17-Q19 PolarHBondContact O-N 2.83Å; Q19-K22 VanDerWaalsContact O-CE 3.32Å; Q19-K22 WeakPolarHBondContact O-CE 3.27Å; Q19-K22 PolarHBondContact O-NZ 3.35Å
20M81Confident78.8Confident13 Ų1364.2 Ų64.26%0.06432%0.316CS..Hα-helixtrans-79.2-39.1177.5-67.7-173.2-168.900112K16 F17 Y18 K22 L28 C36K16-M20 HydrophobicContact CD-CE 4.49Å; K16-M20 HydrophobicContact CG-CE 3.81Å; K16-M20 WeakPolarHBondContact O-CG 3.28Å; K16-M20 PolarHBondContact O-N 3.49Å; K16-M20 VanDerWaalsContact O-N 3.08Å; F17-M20 WeakPolarHBondContact O-CA 3.45Å; F17-M20 WeakPolarHBondContact O-CB 2.99Å; F17-M20 PolarHBondContact O-N 2.95Å; Y18-M20 VanDerWaalsContact C-N 3.34Å; M20-K22 PolarHBondContact O-N 2.91Å; M20-K22 VanDerWaalsContact O-N 3.12Å; M20-L28 VanDerWaalsContact C-CD2 3.46Å; M20-L28 HydrophobicContact CB-CD1 3.97Å; M20-L28 HydrophobicContact CB-CD2 3.47Å; M20-L28 VanDerWaalsContact CB-CD2 3.47Å; M20-L28 HydrophobicContact CB-CG 4.4Å; M20-L28 HydrophobicContact SD-CD1 4.18Å; M20-C36 HydrophobicContact CG-CB 3.93Å; M20-C36 WeakPolarHBondContact CG-SG 3.2Å; M20-C36 HydrophobicContact SD-CB 4.3Å
21D82.7Confident79.8Confident3 Ų363.6 Ų63.62%0.01633%0.326CS..  trans-70.499.5177.5176.21.5000108.7F17 Y18 N23 C24 D25 G26 L28F17-D21 HydrophobicContact CE1-CB 4.37Å; F17-D21 WeakPolarHBondContact O-CB 3.38Å; F17-D21 PolarHBondContact O-N 3.32Å; Y18-D21 VanDerWaalsContact O-O 3.11Å; D21-N23 PolarHBondContact OD1-OD1 2.94Å; D21-C24 VanDerWaalsContact CG-CA 3.5Å; D21-C24 WeakPolarHBondContact OD1-CA 3.26Å; D21-C24 PolarHBondContact OD1-N 3.46Å; D21-C24 WeakPolarHBondContact OD2-CA 3.49Å; D21-D25 PolarHBondContact OD1-N 3.12Å; D21-D25 VanDerWaalsContact OD1-N 3.16Å; D21-D25 PolarHBondContact OD2-N 2.71Å; D21-G26 VanDerWaalsContact OD2-CA 3.31Å; D21-G26 WeakPolarHBondContact OD2-CA 3.35Å; D21-G26 PolarHBondContact OD2-N 2.91Å; D21-L28 HydrophobicContact CB-CD2 3.72Å
22K77.5Confident80.7Confident112 Ų11256.4 Ų56.449%0.48730%0.299SS..SBendtrans-85.4-30.2-170-73.5-66.9161-149.80112.5Q19 M20 E32 R39Q19-K22 VanDerWaalsContact O-CE 3.32Å; Q19-K22 WeakPolarHBondContact O-CE 3.27Å; Q19-K22 PolarHBondContact O-NZ 3.35Å; M20-K22 PolarHBondContact O-N 2.91Å; M20-K22 VanDerWaalsContact O-N 3.12Å; K22-E32 PolarHBondContact N-OE1 3.29Å; K22-R39 VanDerWaalsContact CE-NH1 3.31Å
23N80Confident81.5Confident92 Ų9253.2 Ų53.249%0.49228%0.28SS..SBendtrans-90.2-6.1177.463.50.4000111.9D21 D25 E32D21-N23 PolarHBondContact OD1-OD1 2.94Å; N23-D25 VanDerWaalsContact CG-CG 3.45Å; N23-D25 PolarHBondContact ND2-OD2 3.01Å; N23-D25 PolarHBondContact O-N 3.23Å; N23-D25 PolarHBondContact OD1-N 2.96Å; N23-D25 PolarHBondContact OD1-OD1 2.73Å; N23-D25 VanDerWaalsContact OD1-OD1 3.09Å; N23-D25 PolarHBondContact OD1-OD2 2.79Å; N23-E32 PolarHBondContact OD1-OE1 3.46Å
24C76.5Confident82.2Confident100 Ų10057.4 Ų57.468%0.67630%0.295SS*.  trans58.735-179-60.90000112.3D21 G26D21-C24 VanDerWaalsContact CG-CA 3.5Å; D21-C24 WeakPolarHBondContact OD1-CA 3.26Å; D21-C24 PolarHBondContact OD1-N 3.46Å; D21-C24 WeakPolarHBondContact OD2-CA 3.49Å; C24-G26 VanDerWaalsContact C-N 3.32Å
25D83.1Confident82.8Confident78 Ų7859.1 Ų59.142%0.41730%0.304SS..SBendtrans-86.9-4.7178.970.53.5000113D21 N23 I27D21-D25 PolarHBondContact OD1-N 3.12Å; D21-D25 VanDerWaalsContact OD1-N 3.16Å; D21-D25 PolarHBondContact OD2-N 2.71Å; N23-D25 VanDerWaalsContact CG-CG 3.45Å; N23-D25 PolarHBondContact ND2-OD2 3.01Å; N23-D25 PolarHBondContact O-N 3.23Å; N23-D25 PolarHBondContact OD1-N 2.96Å; N23-D25 PolarHBondContact OD1-OD1 2.73Å; N23-D25 VanDerWaalsContact OD1-OD1 3.09Å; N23-D25 PolarHBondContact OD1-OD2 2.79Å; D25-I27 VanDerWaalsContact C-N 3.33Å; D25-I27 HydrophobicContact CB-CG1 4.48Å; D25-I27 WeakPolarHBondContact OD1-CG1 3.47Å; D25-I27 PolarHBondContact OD1-N 3.29Å; D25-I27 VanDerWaalsContact OD2-CG1 3.28Å; D25-I27 WeakPolarHBondContact OD2-CG1 3.2Å
26G79.6Confident83.1Confident24 Ų2455.7 Ų55.725%0.24729%0.29CS..SBendtrans82.87.2178.800000114.2F17 D21 C24 L64F17-G26 WeakPolarHBondContact CZ-O 3.4Å; D21-G26 VanDerWaalsContact OD2-CA 3.31Å; D21-G26 WeakPolarHBondContact OD2-CA 3.35Å; D21-G26 PolarHBondContact OD2-N 2.91Å; C24-G26 VanDerWaalsContact C-N 3.32Å; G26-L64 PolarHBondContact O-N 2.87Å
27I86Confident83.5Confident48 Ų4851.3 Ų51.325%0.24627%0.271CS..EExtended strand (participates in β ladder)trans-125.8145.8175.559.3167.8000110.2D25 T29 M61 T63D25-I27 VanDerWaalsContact C-N 3.33Å; D25-I27 HydrophobicContact CB-CG1 4.48Å; D25-I27 WeakPolarHBondContact OD1-CG1 3.47Å; D25-I27 PolarHBondContact OD1-N 3.29Å; D25-I27 VanDerWaalsContact OD2-CG1 3.28Å; D25-I27 WeakPolarHBondContact OD2-CG1 3.2Å; I27-T29 HydrophobicContact CD1-CG2 4.47Å; I27-M61 HydrophobicContact CD1-SD 3.76Å; I27-T63 HydrophobicContact CG2-CG2 3.88Å
28L87.5Confident83.8Confident2 Ų256.3 Ų56.31%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-105.3109.8172.6-65.9177.3000109.2F17 M20 D21 I33 I62F17-L28 HydrophobicContact CD2-CD1 3.45Å; F17-L28 VanDerWaalsContact CD2-CD1 3.45Å; F17-L28 HydrophobicContact CD2-CG 3.93Å; F17-L28 HydrophobicContact CE1-CG 4.36Å; F17-L28 HydrophobicContact CE2-CB 4.36Å; F17-L28 HydrophobicContact CE2-CD1 3.46Å; F17-L28 VanDerWaalsContact CE2-CD1 3.46Å; F17-L28 HydrophobicContact CE2-CG 3.5Å; F17-L28 VanDerWaalsContact CE2-CG 3.5Å; F17-L28 HydrophobicContact CG-CD1 4.19Å; F17-L28 HydrophobicContact CZ-CD1 4.2Å; F17-L28 HydrophobicContact CZ-CG 3.73Å; M20-L28 VanDerWaalsContact C-CD2 3.46Å; M20-L28 HydrophobicContact CB-CD1 3.97Å; M20-L28 HydrophobicContact CB-CD2 3.47Å; M20-L28 VanDerWaalsContact CB-CD2 3.47Å; M20-L28 HydrophobicContact CB-CG 4.4Å; M20-L28 HydrophobicContact SD-CD1 4.18Å; D21-L28 HydrophobicContact CB-CD2 3.72Å; L28-I33 HydrophobicContact CB-CD1 4.26Å; L28-I33 HydrophobicContact CB-CG1 3.97Å; L28-I62 HydrophobicContact CB-CB 4.21Å; L28-I62 PolarHBondContact N-O 3.47Å; L28-I62 PolarHBondContact O-N 3.11Å
29T88.4Confident84Confident31 Ų3159.2 Ų59.219%0.1931%0.305CS..  trans-78.4158.4172.8640000111I27 S31 E32 I33I27-T29 HydrophobicContact CD1-CG2 4.47Å; T29-S31 PolarHBondContact O-N 3.41Å; T29-S31 VanDerWaalsContact O-N 3.09Å; T29-E32 WeakPolarHBondContact CB-OE2 3.31Å; T29-E32 PolarHBondContact N-OE2 2.83Å; T29-E32 PolarHBondContact O-N 2.96Å; T29-E32 WeakPolarHBondContact OG1-CG 3.01Å; T29-E32 PolarHBondContact OG1-N 3Å; T29-E32 PolarHBondContact OG1-OE2 3.41Å; T29-I33 WeakPolarHBondContact O-CG1 3.37Å; T29-I33 PolarHBondContact O-N 2.79Å
30P86.7Confident84.1Confident42 Ų4256.7 Ų56.727%0.27330%0.301SS..Hα-helixtrans-57-31176.8-25.135.8000112.5R34 L51 N60P30-R34 WeakPolarHBondContact O-CB 3.38Å; P30-R34 PolarHBondContact O-N 3.13Å; P30-L51 HydrophobicContact CB-CD1 4.25Å; P30-L51 HydrophobicContact CG-CD1 4.17Å; P30-L51 HydrophobicContact CG-CD2 4.39Å; P30-N60 WeakPolarHBondContact CD-O 3.41Å; P30-N60 HydrophobicContact CG-CB 4.09Å; P30-N60 WeakPolarHBondContact CG-O 3.47Å
31S87.5Confident84.3Confident79 Ų7959.4 Ų59.455%0.55233%0.332SS*.Hα-helixtrans-65-44.4175.4-62.40000111.8T29 R34 I35T29-S31 PolarHBondContact O-N 3.41Å; T29-S31 VanDerWaalsContact O-N 3.09Å; S31-R34 PolarHBondContact O-N 3.44Å; S31-I35 VanDerWaalsContact O-CG1 3.26Å; S31-I35 WeakPolarHBondContact O-CG1 3.21Å; S31-I35 PolarHBondContact O-N 3.29Å
32E87.1Confident84.4Confident14 Ų1463.1 Ų63.17%0.06535%0.352CS..Hα-helixtrans-70.9-41.2178.7-70.5167.312200111.9K22 N23 T29 R34 I35 C36K22-E32 PolarHBondContact N-OE1 3.29Å; N23-E32 PolarHBondContact OD1-OE1 3.46Å; T29-E32 WeakPolarHBondContact CB-OE2 3.31Å; T29-E32 PolarHBondContact N-OE2 2.83Å; T29-E32 PolarHBondContact O-N 2.96Å; T29-E32 WeakPolarHBondContact OG1-CG 3.01Å; T29-E32 PolarHBondContact OG1-N 3Å; T29-E32 PolarHBondContact OG1-OE2 3.41Å; E32-R34 VanDerWaalsContact C-N 3.3Å; E32-R34 PolarHBondContact O-N 2.86Å; E32-I35 PolarHBondContact O-N 2.79Å; E32-C36 PolarHBondContact O-N 3.34Å
33I87Confident84.8Confident2 Ų261.2 Ų61.21%0.0135%0.351CS..Hα-helixtrans-59.5-45.7173-58.6164.2000109.3L28 T29 I35 C36 V37 V47 F50 L51 I62L28-I33 HydrophobicContact CB-CD1 4.26Å; L28-I33 HydrophobicContact CB-CG1 3.97Å; T29-I33 WeakPolarHBondContact O-CG1 3.37Å; T29-I33 PolarHBondContact O-N 2.79Å; I33-I35 PolarHBondContact O-N 2.88Å; I33-C36 WeakPolarHBondContact O-CB 3.21Å; I33-C36 PolarHBondContact O-N 2.82Å; I33-C36 VanDerWaalsContact O-N 3.15Å; I33-V37 HydrophobicContact CG2-CG2 4.11Å; I33-V37 WeakPolarHBondContact O-CB 3.3Å; I33-V37 VanDerWaalsContact O-CG2 3.26Å; I33-V37 WeakPolarHBondContact O-CG2 3.28Å; I33-V37 PolarHBondContact O-N 2.88Å; I33-V47 HydrophobicContact CB-CG1 4.2Å; I33-V47 HydrophobicContact CG2-CB 4.32Å; I33-V47 HydrophobicContact CG2-CG1 3.93Å; I33-V47 HydrophobicContact CG2-CG2 4.25Å; I33-F50 HydrophobicContact CG2-CB 4.02Å; I33-F50 HydrophobicContact CG2-CG 4.31Å; I33-L51 HydrophobicContact CD1-CD2 3.76Å; I33-L51 HydrophobicContact CD1-CG 4.35Å; I33-I62 HydrophobicContact CD1-CD1 3.56Å; I33-I62 HydrophobicContact CD1-CG1 4.3Å
34R88Confident85.1Confident97 Ų9760.8 Ų60.837%0.36635%0.346SS..Hα-helixtrans-58.8-46.9176.6-178.9-177.3-62.9-100.4-5.6112.1P30 S31 E32 C36 V37 Q38 E44 V47P30-R34 WeakPolarHBondContact O-CB 3.38Å; P30-R34 PolarHBondContact O-N 3.13Å; S31-R34 PolarHBondContact O-N 3.44Å; E32-R34 VanDerWaalsContact C-N 3.3Å; E32-R34 PolarHBondContact O-N 2.86Å; R34-C36 VanDerWaalsContact C-N 3.28Å; R34-C36 PolarHBondContact O-N 3.43Å; R34-V37 PolarHBondContact O-N 3.41Å; R34-Q38 HydrophobicContact CG-CG 4.43Å; R34-Q38 WeakPolarHBondContact O-CB 3.15Å; R34-Q38 VanDerWaalsContact O-CG 3.31Å; R34-Q38 WeakPolarHBondContact O-CG 3.49Å; R34-Q38 PolarHBondContact O-N 3.38Å; R34-E44 IonicContact CZ-OE1 3.77Å; R34-E44 IonicContact CZ-OE2 3.85Å; R34-E44 IonicContact NH1-OE1 2.76Å; R34-E44 PolarHBondContact NH1-OE1 3.19Å; R34-E44 IonicContact NH1-OE2 2.7Å; R34-E44 PolarHBondContact NH1-OE2 3.17Å; R34-V47 HydrophobicContact CB-CG2 4Å
35I86.1Confident85.6Confident68 Ų6859.5 Ų59.535%0.34934%0.338SS..Hα-helixtrans-59.8-42.2176.5-68.5165.3000110.2S31 E32 I33 R39S31-I35 VanDerWaalsContact O-CG1 3.26Å; S31-I35 WeakPolarHBondContact O-CG1 3.21Å; S31-I35 PolarHBondContact O-N 3.29Å; E32-I35 PolarHBondContact O-N 2.79Å; I33-I35 PolarHBondContact O-N 2.88Å; I35-R39 VanDerWaalsContact O-CB 3.31Å; I35-R39 WeakPolarHBondContact O-CB 3.4Å; I35-R39 VanDerWaalsContact O-CG 3.23Å; I35-R39 WeakPolarHBondContact O-CG 3.42Å; I35-R39 PolarHBondContact O-N 2.94Å
36C83.3Confident85.6Confident22 Ų2258.9 Ų58.915%0.14933%0.332CS..Hα-helixtrans-65.1-47.1177.1-175.90000112.6M20 E32 I33 R34 R39 S40M20-C36 HydrophobicContact CG-CB 3.93Å; M20-C36 WeakPolarHBondContact CG-SG 3.2Å; M20-C36 HydrophobicContact SD-CB 4.3Å; E32-C36 PolarHBondContact O-N 3.34Å; I33-C36 WeakPolarHBondContact O-CB 3.21Å; I33-C36 PolarHBondContact O-N 2.82Å; I33-C36 VanDerWaalsContact O-N 3.15Å; R34-C36 VanDerWaalsContact C-N 3.28Å; R34-C36 PolarHBondContact O-N 3.43Å; C36-R39 PolarHBondContact O-N 2.77Å; C36-S40 WeakPolarHBondContact O-CB 3.5Å; C36-S40 PolarHBondContact O-N 2.84Å; C36-S40 PolarHBondContact O-OG 2.93Å
37V86.9Confident86Confident5 Ų557.9 Ų57.93%0.0332%0.321CS..Hα-helixtrans-59.7-47.61791650000110.2I33 R34 S40 G41 L42 P43 K46 V47I33-V37 HydrophobicContact CG2-CG2 4.11Å; I33-V37 WeakPolarHBondContact O-CB 3.3Å; I33-V37 VanDerWaalsContact O-CG2 3.26Å; I33-V37 WeakPolarHBondContact O-CG2 3.28Å; I33-V37 PolarHBondContact O-N 2.88Å; R34-V37 PolarHBondContact O-N 3.41Å; V37-S40 CarbonylContact O-C 3.58Å; V37-S40 PolarHBondContact O-N 2.82Å; V37-G41 PolarHBondContact O-N 3.39Å; V37-L42 HydrophobicContact CG1-CB 3.76Å; V37-L42 WeakPolarHBondContact CG1-O 3.04Å; V37-L42 PolarHBondContact O-N 3.28Å; V37-P43 VanDerWaalsContact CG1-O 3.23Å; V37-P43 WeakPolarHBondContact CG1-O 3.28Å; V37-K46 HydrophobicContact CG1-CB 4.21Å; V37-K46 HydrophobicContact CG2-CB 4.42Å; V37-V47 HydrophobicContact CB-CG2 4.06Å; V37-V47 HydrophobicContact CG1-CG2 4.17Å; V37-V47 HydrophobicContact CG2-CG2 3.95Å
38Q85.9Confident86Confident105 Ų10559.6 Ų59.649%0.49133%0.33SS..Hα-helixtrans-62.8-43.6175.9-72.9-179.7-5.300112.3R34 S40 G41 E44R34-Q38 HydrophobicContact CG-CG 4.43Å; R34-Q38 WeakPolarHBondContact O-CB 3.15Å; R34-Q38 VanDerWaalsContact O-CG 3.31Å; R34-Q38 WeakPolarHBondContact O-CG 3.49Å; R34-Q38 PolarHBondContact O-N 3.38Å; Q38-S40 PolarHBondContact O-N 2.87Å; Q38-G41 PolarHBondContact O-N 3.45Å; Q38-E44 PolarHBondContact NE2-OE1 2.79Å
39R84Confident85.9Confident179 Ų17962.7 Ų62.768%0.67535%0.345SS*.Hα-helixtrans-63.4-29.5175.5-78.3178.9-179.5179.24.1113K22 I35 C36K22-R39 VanDerWaalsContact CE-NH1 3.31Å; I35-R39 VanDerWaalsContact O-CB 3.31Å; I35-R39 WeakPolarHBondContact O-CB 3.4Å; I35-R39 VanDerWaalsContact O-CG 3.23Å; I35-R39 WeakPolarHBondContact O-CG 3.42Å; I35-R39 PolarHBondContact O-N 2.94Å; C36-R39 PolarHBondContact O-N 2.77Å
40S81.4Confident85.7Confident75 Ų7563.6 Ų63.652%0.52435%0.346SS..THydrogen-bonded Turntrans-81.2-3.3175.6-56.20000112.8C36 V37 Q38 L42C36-S40 WeakPolarHBondContact O-CB 3.5Å; C36-S40 PolarHBondContact O-N 2.84Å; C36-S40 PolarHBondContact O-OG 2.93Å; V37-S40 CarbonylContact O-C 3.58Å; V37-S40 PolarHBondContact O-N 2.82Å; Q38-S40 PolarHBondContact O-N 2.87Å; S40-L42 PolarHBondContact O-N 3.36Å
41G85.1Confident85.7Confident69 Ų6962.3 Ų62.371%0.71134%0.337SS*.THydrogen-bonded Turntrans70.418.8-175.700000113.7V37 Q38V37-G41 PolarHBondContact O-N 3.39Å; Q38-G41 PolarHBondContact O-N 3.45Å
42L84.1Confident85.6Confident82 Ų8267 Ų6743%0.42934%0.342SS..  trans-90.4150.2178.6-68.6175000110.4V37 S40 K46V37-L42 HydrophobicContact CG1-CB 3.76Å; V37-L42 WeakPolarHBondContact CG1-O 3.04Å; V37-L42 PolarHBondContact O-N 3.28Å; S40-L42 PolarHBondContact O-N 3.36Å; L42-K46 HydrophobicContact CB-CG 4.46Å
43P86.6Confident85.4Confident71 Ų7170.3 Ų70.346%0.46136%0.36SS..  trans-69.5148.9178.828.5-33.6000111V37 S45 K46V37-P43 VanDerWaalsContact CG1-O 3.23Å; V37-P43 WeakPolarHBondContact CG1-O 3.28Å; P43-S45 PolarHBondContact O-N 2.97Å; P43-K46 HydrophobicContact CG-CG 4.2Å; P43-K46 WeakPolarHBondContact O-CB 3.44Å; P43-K46 PolarHBondContact O-N 3.06Å
44E86.3Confident85.2Confident84 Ų8471 Ų7139%0.39336%0.363SS..THydrogen-bonded Turntrans-58.7-24.4-179.4-61.2-163140.700113.4R34 Q38 K46 V47R34-E44 IonicContact CZ-OE1 3.77Å; R34-E44 IonicContact CZ-OE2 3.85Å; R34-E44 IonicContact NH1-OE1 2.76Å; R34-E44 PolarHBondContact NH1-OE1 3.19Å; R34-E44 IonicContact NH1-OE2 2.7Å; R34-E44 PolarHBondContact NH1-OE2 3.17Å; Q38-E44 PolarHBondContact NE2-OE1 2.79Å; E44-K46 PolarHBondContact O-N 3.07Å; E44-V47 VanDerWaalsContact O-CB 3.27Å; E44-V47 WeakPolarHBondContact O-CB 3.33Å; E44-V47 WeakPolarHBondContact O-CG2 3.41Å; E44-V47 PolarHBondContact O-N 2.85Å
45S86.2Confident85.2Confident72 Ų7267.4 Ų67.450%0.50335%0.351SS..Hα-helixtrans-58.3-18.8173.663.90000113.7P43 V47 E49P43-S45 PolarHBondContact O-N 2.97Å; S45-V47 VanDerWaalsContact C-N 3.34Å; S45-E49 PolarHBondContact O-N 3.13Å
46K84.4Confident84.9Confident66 Ų6669 Ų6929%0.28736%0.36SS..Hα-helixtrans-74.1-22.9172.7-71.1-58.2-171.4-1780113.1V37 L42 P43 E44 D48 E49 F50V37-K46 HydrophobicContact CG1-CB 4.21Å; V37-K46 HydrophobicContact CG2-CB 4.42Å; L42-K46 HydrophobicContact CB-CG 4.46Å; P43-K46 HydrophobicContact CG-CG 4.2Å; P43-K46 WeakPolarHBondContact O-CB 3.44Å; P43-K46 PolarHBondContact O-N 3.06Å; E44-K46 PolarHBondContact O-N 3.07Å; K46-D48 VanDerWaalsContact C-N 3.35Å; K46-E49 HydrophobicContact CD-CB 4.33Å; K46-E49 VanDerWaalsContact CD-OE2 3.26Å; K46-E49 WeakPolarHBondContact CD-OE2 3.46Å; K46-E49 WeakPolarHBondContact CE-OE2 3.32Å; K46-E49 IonicContact NZ-OE1 2.63Å; K46-E49 PolarHBondContact NZ-OE1 3.28Å; K46-E49 IonicContact NZ-OE2 3.72Å; K46-E49 PolarHBondContact NZ-OE2 2.96Å; K46-E49 WeakPolarHBondContact O-CB 3.31Å; K46-E49 PolarHBondContact O-N 2.86Å; K46-F50 WeakPolarHBondContact O-CD2 3.48Å; K46-F50 PolarHBondContact O-N 2.49Å
47V87.5Confident84.8Confident3 Ų371.6 Ų71.62%0.01838%0.378CS..Hα-helixtrans-61.1-48.7174.3-178.90000109.4I33 R34 V37 E44 S45 E49 F50 L51I33-V47 HydrophobicContact CB-CG1 4.2Å; I33-V47 HydrophobicContact CG2-CB 4.32Å; I33-V47 HydrophobicContact CG2-CG1 3.93Å; I33-V47 HydrophobicContact CG2-CG2 4.25Å; R34-V47 HydrophobicContact CB-CG2 4Å; V37-V47 HydrophobicContact CB-CG2 4.06Å; V37-V47 HydrophobicContact CG1-CG2 4.17Å; V37-V47 HydrophobicContact CG2-CG2 3.95Å; E44-V47 VanDerWaalsContact O-CB 3.27Å; E44-V47 WeakPolarHBondContact O-CB 3.33Å; E44-V47 WeakPolarHBondContact O-CG2 3.41Å; E44-V47 PolarHBondContact O-N 2.85Å; S45-V47 VanDerWaalsContact C-N 3.34Å; V47-E49 VanDerWaalsContact C-N 3.26Å; V47-E49 PolarHBondContact O-N 3.18Å; V47-F50 WeakPolarHBondContact O-CB 3.38Å; V47-F50 PolarHBondContact O-N 2.85Å; V47-F50 VanDerWaalsContact O-N 3.13Å; V47-L51 HydrophobicContact CG1-CD1 4.31Å; V47-L51 WeakPolarHBondContact O-CG 3.47Å; V47-L51 PolarHBondContact O-N 3.31Å
48D86.6Confident84.7Confident84 Ų8473.9 Ų73.945%0.44940%0.403SS..Hα-helixtrans-64.8-31.5176.7-56.8-84.2000112.5K46 R52K46-D48 VanDerWaalsContact C-N 3.35Å; D48-R52 VanDerWaalsContact CB-NH1 3.27Å; D48-R52 VanDerWaalsContact O-CB 3.32Å; D48-R52 WeakPolarHBondContact O-CB 3.49Å; D48-R52 VanDerWaalsContact O-CG 3.24Å; D48-R52 WeakPolarHBondContact O-CG 3.33Å; D48-R52 VanDerWaalsContact O-CZ 3.29Å; D48-R52 PolarHBondContact O-N 2.92Å; D48-R52 PolarHBondContact O-NE 2.93Å
49E85.3Confident84.8Confident66 Ų6672.9 Ų72.931%0.30840%0.401SS..Hα-helixtrans-68.2-39.6173.5-167.6176.3135.800111.7S45 K46 V47 L53S45-E49 PolarHBondContact O-N 3.13Å; K46-E49 HydrophobicContact CD-CB 4.33Å; K46-E49 VanDerWaalsContact CD-OE2 3.26Å; K46-E49 WeakPolarHBondContact CD-OE2 3.46Å; K46-E49 WeakPolarHBondContact CE-OE2 3.32Å; K46-E49 IonicContact NZ-OE1 2.63Å; K46-E49 PolarHBondContact NZ-OE1 3.28Å; K46-E49 IonicContact NZ-OE2 3.72Å; K46-E49 PolarHBondContact NZ-OE2 2.96Å; K46-E49 WeakPolarHBondContact O-CB 3.31Å; K46-E49 PolarHBondContact O-N 2.86Å; V47-E49 VanDerWaalsContact C-N 3.26Å; V47-E49 PolarHBondContact O-N 3.18Å; E49-L53 HydrophobicContact CG-CD1 4.11Å; E49-L53 WeakPolarHBondContact O-CB 3.41Å; E49-L53 WeakPolarHBondContact O-CD1 3.43Å; E49-L53 WeakPolarHBondContact O-CG 3.29Å; E49-L53 PolarHBondContact O-N 2.92Å; E49-L53 VanDerWaalsContact O-N 3.09Å
50F84Confident84.8Confident50 Ų5068.6 Ų68.622%0.21939%0.391CS..Hα-helixtrans-62.8-50.7173.1-98.8-91.9000111.2I33 K46 V47 R52 L53 F54I33-F50 HydrophobicContact CG2-CB 4.02Å; I33-F50 HydrophobicContact CG2-CG 4.31Å; K46-F50 WeakPolarHBondContact O-CD2 3.48Å; K46-F50 PolarHBondContact O-N 2.49Å; V47-F50 WeakPolarHBondContact O-CB 3.38Å; V47-F50 PolarHBondContact O-N 2.85Å; V47-F50 VanDerWaalsContact O-N 3.13Å; F50-R52 PolarHBondContact O-N 3.48Å; F50-L53 PolarHBondContact O-N 2.94Å; F50-L53 VanDerWaalsContact O-N 3.1Å; F50-F54 AromaticContact CD1-CD2 3.62Å; F50-F54 HydrophobicContact CD1-CD2 3.62Å; F50-F54 AromaticContact CD1-CE2 3.63Å; F50-F54 HydrophobicContact CD1-CE2 3.63Å; F50-F54 HydrophobicContact CE1-CD2 4.17Å; F50-F54 AromaticContact CE1-CE2 3.71Å; F50-F54 HydrophobicContact CE1-CE2 3.71Å; F50-F54 HydrophobicContact CE1-CZ 4.47Å; F50-F54 HydrophobicContact CG-CD2 4.37Å; F50-F54 HydrophobicContact CG-CE2 4.49Å; F50-F54 WeakPolarHBondContact O-CB 3.22Å; F50-F54 WeakPolarHBondContact O-CD2 3.47Å; F50-F54 PolarHBondContact O-N 2.97Å
51L87.2Confident85.1Confident15 Ų1568.5 Ų68.58%0.07938%0.384CS..Hα-helixtrans-57.2-50.5177.1-67.3172.7000110.4P30 I33 V47 L53 F54 D55 I62P30-L51 HydrophobicContact CB-CD1 4.25Å; P30-L51 HydrophobicContact CG-CD1 4.17Å; P30-L51 HydrophobicContact CG-CD2 4.39Å; I33-L51 HydrophobicContact CD1-CD2 3.76Å; I33-L51 HydrophobicContact CD1-CG 4.35Å; V47-L51 HydrophobicContact CG1-CD1 4.31Å; V47-L51 WeakPolarHBondContact O-CG 3.47Å; V47-L51 PolarHBondContact O-N 3.31Å; L51-L53 PolarHBondContact O-N 3.24Å; L51-F54 PolarHBondContact O-N 3.28Å; L51-D55 HydrophobicContact CB-CB 4.48Å; L51-D55 HydrophobicContact CD2-CB 4.36Å; L51-D55 WeakPolarHBondContact O-CA 3.42Å; L51-D55 WeakPolarHBondContact O-CB 3.2Å; L51-D55 PolarHBondContact O-N 3.08Å; L51-I62 HydrophobicContact CD2-CD1 4.29Å; L51-I62 HydrophobicContact CD2-CG1 4.26Å
52R85.3Confident85.3Confident177 Ų17765.3 Ų65.367%0.66835%0.35SS*.Hα-helixtrans-59.9-25.4178-75.6-172.9-61.5-92.3-3.9115.1D48 F50D48-R52 VanDerWaalsContact CB-NH1 3.27Å; D48-R52 VanDerWaalsContact O-CB 3.32Å; D48-R52 WeakPolarHBondContact O-CB 3.49Å; D48-R52 VanDerWaalsContact O-CG 3.24Å; D48-R52 WeakPolarHBondContact O-CG 3.33Å; D48-R52 VanDerWaalsContact O-CZ 3.29Å; D48-R52 PolarHBondContact O-N 2.92Å; D48-R52 PolarHBondContact O-NE 2.93Å; F50-R52 PolarHBondContact O-N 3.48Å
53L82.6Confident85.4Confident84 Ų8463.4 Ų63.444%0.4434%0.342SS..Hα-helixtrans-89.3-33.9-179.5-73.9172.6000112.8E49 F50 L51 A70E49-L53 HydrophobicContact CG-CD1 4.11Å; E49-L53 WeakPolarHBondContact O-CB 3.41Å; E49-L53 WeakPolarHBondContact O-CD1 3.43Å; E49-L53 WeakPolarHBondContact O-CG 3.29Å; E49-L53 PolarHBondContact O-N 2.92Å; E49-L53 VanDerWaalsContact O-N 3.09Å; F50-L53 PolarHBondContact O-N 2.94Å; F50-L53 VanDerWaalsContact O-N 3.1Å; L51-L53 PolarHBondContact O-N 3.24Å; L53-A70 WeakPolarHBondContact O-CB 3.39Å
54F82.7Confident85.1Confident17 Ų1762.2 Ų62.28%0.07533%0.331CS..Hα-helixtrans-119.8-25.6-165.6-70.9-81000114.1F50 L51 L56 I62 E66 Y67 A70 L71F50-F54 AromaticContact CD1-CD2 3.62Å; F50-F54 HydrophobicContact CD1-CD2 3.62Å; F50-F54 AromaticContact CD1-CE2 3.63Å; F50-F54 HydrophobicContact CD1-CE2 3.63Å; F50-F54 HydrophobicContact CE1-CD2 4.17Å; F50-F54 AromaticContact CE1-CE2 3.71Å; F50-F54 HydrophobicContact CE1-CE2 3.71Å; F50-F54 HydrophobicContact CE1-CZ 4.47Å; F50-F54 HydrophobicContact CG-CD2 4.37Å; F50-F54 HydrophobicContact CG-CE2 4.49Å; F50-F54 WeakPolarHBondContact O-CB 3.22Å; F50-F54 WeakPolarHBondContact O-CD2 3.47Å; F50-F54 PolarHBondContact O-N 2.97Å; L51-F54 PolarHBondContact O-N 3.28Å; F54-L56 VanDerWaalsContact C-N 3.32Å; F54-L56 PolarHBondContact O-N 3.09Å; F54-I62 HydrophobicContact CB-CB 4.42Å; F54-I62 HydrophobicContact CB-CD1 3.51Å; F54-I62 HydrophobicContact CB-CG1 3.8Å; F54-I62 HydrophobicContact CB-CG2 3.73Å; F54-I62 HydrophobicContact CG-CD1 4.34Å; F54-E66 WeakPolarHBondContact O-CB 3.42Å; F54-Y67 AromaticContact CD1-CD2 3.46Å; F54-Y67 HydrophobicContact CD1-CD2 3.46Å; F54-Y67 VanDerWaalsContact CD1-CD2 3.46Å; F54-Y67 AromaticContact CD1-CE2 3.94Å; F54-Y67 HydrophobicContact CD1-CE2 3.94Å; F54-Y67 HydrophobicContact CD1-CG 4.29Å; F54-Y67 AromaticContact CE1-CD2 3.43Å; F54-Y67 HydrophobicContact CE1-CD2 3.43Å; F54-Y67 VanDerWaalsContact CE1-CD2 3.43Å; F54-Y67 AromaticContact CE1-CE2 3.46Å; F54-Y67 HydrophobicContact CE1-CE2 3.46Å; F54-Y67 VanDerWaalsContact CE1-CE2 3.46Å; F54-Y67 HydrophobicContact CE1-CG 4.28Å; F54-Y67 HydrophobicContact CE2-CE2 4.46Å; F54-Y67 HydrophobicContact CG-CD2 4.2Å; F54-Y67 HydrophobicContact CZ-CD2 4.18Å; F54-Y67 AromaticContact CZ-CE2 3.77Å; F54-Y67 HydrophobicContact CZ-CE2 3.77Å; F54-A70 HydrophobicContact CD1-CB 3.48Å; F54-A70 VanDerWaalsContact CD1-CB 3.48Å; F54-A70 HydrophobicContact CE1-CB 3.97Å; F54-A70 HydrophobicContact CG-CB 4.25Å; F54-L71 HydrophobicContact CE1-CD1 4.32Å; F54-L71 HydrophobicContact CE1-CD2 3.65Å; F54-L71 HydrophobicContact CE1-CG 3.77Å; F54-L71 HydrophobicContact CZ-CD2 3.81Å; F54-L71 HydrophobicContact CZ-CG 4.42Å
55D87.6Confident84.6Confident21 Ų2161.5 Ų61.511%0.11233%0.328CS..  trans-79.285.7172.9171.821.8000108.2L51 S57 G58 D59 N60 I62L51-D55 HydrophobicContact CB-CB 4.48Å; L51-D55 HydrophobicContact CD2-CB 4.36Å; L51-D55 WeakPolarHBondContact O-CA 3.42Å; L51-D55 WeakPolarHBondContact O-CB 3.2Å; L51-D55 PolarHBondContact O-N 3.08Å; D55-S57 PolarHBondContact OD1-OG 3.29Å; D55-G58 VanDerWaalsContact OD1-CA 3.25Å; D55-G58 WeakPolarHBondContact OD1-CA 3.47Å; D55-G58 PolarHBondContact OD1-N 3.13Å; D55-G58 WeakPolarHBondContact OD2-CA 3.37Å; D55-D59 PolarHBondContact OD1-N 2.91Å; D55-D59 VanDerWaalsContact OD1-N 3.08Å; D55-D59 PolarHBondContact OD2-N 3.35Å; D55-N60 WeakPolarHBondContact OD2-CA 3.45Å; D55-N60 PolarHBondContact OD2-N 3.06Å; D55-I62 HydrophobicContact CB-CG1 4.25Å
56L79.8Confident84.5Confident103 Ų10358.8 Ų58.854%0.53931%0.307SS..SBendtrans-79.5-25.9-177.7-60.4178.2000111.3F54 E66 N69 A70F54-L56 VanDerWaalsContact C-N 3.32Å; F54-L56 PolarHBondContact O-N 3.09Å; L56-E66 HydrophobicContact CB-CG 4.27Å; L56-E66 HydrophobicContact CD1-CB 4.49Å; L56-E66 HydrophobicContact CG-CB 4.44Å; L56-E66 PolarHBondContact N-OE1 2.81Å; L56-N69 HydrophobicContact CD1-CB 3.71Å; L56-A70 HydrophobicContact CD1-CB 4.5Å
57S82.3Confident84.3Confident76 Ų7656.1 Ų56.153%0.53130%0.296SS..SBendtrans-77.6-26.5176.270.20000112.9D55 D59 E66D55-S57 PolarHBondContact OD1-OG 3.29Å; S57-D59 VanDerWaalsContact OG-CG 3.22Å; S57-D59 PolarHBondContact OG-N 2.71Å; S57-D59 PolarHBondContact OG-OD1 2.75Å; S57-E66 WeakPolarHBondContact CB-OE1 3.49Å; S57-E66 PolarHBondContact N-OE1 3.12Å; S57-E66 PolarHBondContact OG-OE1 2.69Å
58G83.6Confident83.7Confident53 Ų5356.5 Ų56.555%0.54630%0.298SS..SBendtrans80.718.5-177.300000113.8D55 N60D55-G58 VanDerWaalsContact OD1-CA 3.25Å; D55-G58 WeakPolarHBondContact OD1-CA 3.47Å; D55-G58 PolarHBondContact OD1-N 3.13Å; D55-G58 WeakPolarHBondContact OD2-CA 3.37Å; G58-N60 VanDerWaalsContact C-N 3.32Å
59D88.4Confident83.1Confident84 Ų8454.6 Ų54.645%0.44929%0.287SS..SBendtrans-90.54.4-179.276-3.5000113.4D55 S57 M61D55-D59 PolarHBondContact OD1-N 2.91Å; D55-D59 VanDerWaalsContact OD1-N 3.08Å; D55-D59 PolarHBondContact OD2-N 3.35Å; S57-D59 VanDerWaalsContact OG-CG 3.22Å; S57-D59 PolarHBondContact OG-N 2.71Å; S57-D59 PolarHBondContact OG-OD1 2.75Å; D59-M61 PolarHBondContact O-N 3.35Å; D59-M61 WeakPolarHBondContact OD1-CA 3.37Å; D59-M61 VanDerWaalsContact OD1-CB 3.31Å; D59-M61 WeakPolarHBondContact OD1-CB 3.44Å; D59-M61 PolarHBondContact OD1-N 3.4Å
60N84.7Confident82.6Confident89 Ų8953.4 Ų53.448%0.47629%0.289SS..SBendtrans62.418.2-172.4-58.9-83.4000114.4P30 D55 G58P30-N60 WeakPolarHBondContact CD-O 3.41Å; P30-N60 HydrophobicContact CG-CB 4.09Å; P30-N60 WeakPolarHBondContact CG-O 3.47Å; D55-N60 WeakPolarHBondContact OD2-CA 3.45Å; D55-N60 PolarHBondContact OD2-N 3.06Å; G58-N60 VanDerWaalsContact C-N 3.32Å
61M87.8Confident82.2Confident73 Ų7352.1 Ų52.136%0.3628%0.284SS..  trans-115.1146.3170.2-54.2-165.5-178.300108.7I27 D59I27-M61 HydrophobicContact CD1-SD 3.76Å; D59-M61 PolarHBondContact O-N 3.35Å; D59-M61 WeakPolarHBondContact OD1-CA 3.37Å; D59-M61 VanDerWaalsContact OD1-CB 3.31Å; D59-M61 WeakPolarHBondContact OD1-CB 3.44Å; D59-M61 PolarHBondContact OD1-N 3.4Å
62I88.3Confident81.3Confident1 Ų154.2 Ų54.21%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-112.8104.3172.6-55.9164.7000107.3F17 L28 I33 L51 F54 D55 E66 Y67F17-I62 HydrophobicContact CE2-CG2 4.29Å; F17-I62 WeakPolarHBondContact CE2-O 3.46Å; F17-I62 WeakPolarHBondContact CZ-O 3.36Å; L28-I62 HydrophobicContact CB-CB 4.21Å; L28-I62 PolarHBondContact N-O 3.47Å; L28-I62 PolarHBondContact O-N 3.11Å; I33-I62 HydrophobicContact CD1-CD1 3.56Å; I33-I62 HydrophobicContact CD1-CG1 4.3Å; L51-I62 HydrophobicContact CD2-CD1 4.29Å; L51-I62 HydrophobicContact CD2-CG1 4.26Å; F54-I62 HydrophobicContact CB-CB 4.42Å; F54-I62 HydrophobicContact CB-CD1 3.51Å; F54-I62 HydrophobicContact CB-CG1 3.8Å; F54-I62 HydrophobicContact CB-CG2 3.73Å; F54-I62 HydrophobicContact CG-CD1 4.34Å; D55-I62 HydrophobicContact CB-CG1 4.25Å; I62-E66 HydrophobicContact CG2-CB 4.48Å; I62-Y67 HydrophobicContact CG2-CD2 4.35Å
63T86.2Confident80.3Confident43 Ų4347.3 Ų47.326%0.26429%0.285SS..EExtended strand (participates in β ladder)trans-72.1159.1170.663.90000110.6I27 Q65 E66 Y67I27-T63 HydrophobicContact CG2-CG2 3.88Å; T63-Q65 PolarHBondContact O-N 3.19Å; T63-E66 WeakPolarHBondContact CB-OE2 3.4Å; T63-E66 WeakPolarHBondContact CG2-OE2 3.09Å; T63-E66 PolarHBondContact N-OE2 2.78Å; T63-E66 PolarHBondContact O-N 3.34Å; T63-E66 VanDerWaalsContact OG1-CG 3.28Å; T63-E66 WeakPolarHBondContact OG1-CG 3.5Å; T63-E66 PolarHBondContact OG1-N 2.91Å; T63-E66 VanDerWaalsContact OG1-N 3.16Å; T63-E66 PolarHBondContact OG1-OE2 2.91Å; T63-Y67 PolarHBondContact O-N 3.47Å
64L80.9Confident79.2Confident45 Ų4544.8 Ų44.824%0.23627%0.271CS..Hα-helixtrans-54.1-36.2171.8-178.764000112I14 F17 G26 Y67 I68I14-L64 HydrophobicContact CG1-CD1 4.43Å; F17-L64 HydrophobicContact CD1-CD1 4.02Å; F17-L64 HydrophobicContact CE1-CB 4.18Å; F17-L64 HydrophobicContact CE1-CD1 4.38Å; F17-L64 HydrophobicContact CG-CD1 4.15Å; F17-L64 HydrophobicContact CZ-CB 4.23Å; G26-L64 PolarHBondContact O-N 2.87Å; L64-Y67 PolarHBondContact O-N 2.83Å; L64-I68 HydrophobicContact CD1-CD1 4.14Å; L64-I68 HydrophobicContact CD1-CG1 4.4Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 WeakPolarHBondContact O-CB 3.38Å; L64-I68 VanDerWaalsContact O-CG1 3.26Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 3.3Å
65Q76.1Confident78Confident69 Ų6945.9 Ų45.932%0.32228%0.28SS..Hα-helixtrans-66.6-46.5179.8-170.962.95600111.4T63 Y67 I68 N69T63-Q65 PolarHBondContact O-N 3.19Å; Q65-Y67 VanDerWaalsContact C-N 3.28Å; Q65-Y67 PolarHBondContact O-N 3.05Å; Q65-I68 PolarHBondContact O-N 3.19Å; Q65-N69 PolarHBondContact NE2-OD1 3.04Å; Q65-N69 WeakPolarHBondContact O-CB 3.12Å; Q65-N69 PolarHBondContact O-N 2.99Å; Q65-N69 PolarHBondContact O-OD1 3.23Å; Q65-N69 VanDerWaalsContact O-OD1 3.13Å
66E83.2Confident76.7Confident15 Ų1549.6 Ų49.67%0.0731%0.305CS..Hα-helixtrans-65-37.1176.8-65.4164.6120.800111.5F54 L56 S57 I62 T63 I68 N69 A70F54-E66 WeakPolarHBondContact O-CB 3.42Å; L56-E66 HydrophobicContact CB-CG 4.27Å; L56-E66 HydrophobicContact CD1-CB 4.49Å; L56-E66 HydrophobicContact CG-CB 4.44Å; L56-E66 PolarHBondContact N-OE1 2.81Å; S57-E66 WeakPolarHBondContact CB-OE1 3.49Å; S57-E66 PolarHBondContact N-OE1 3.12Å; S57-E66 PolarHBondContact OG-OE1 2.69Å; I62-E66 HydrophobicContact CG2-CB 4.48Å; T63-E66 WeakPolarHBondContact CB-OE2 3.4Å; T63-E66 WeakPolarHBondContact CG2-OE2 3.09Å; T63-E66 PolarHBondContact N-OE2 2.78Å; T63-E66 PolarHBondContact O-N 3.34Å; T63-E66 VanDerWaalsContact OG1-CG 3.28Å; T63-E66 WeakPolarHBondContact OG1-CG 3.5Å; T63-E66 PolarHBondContact OG1-N 2.91Å; T63-E66 VanDerWaalsContact OG1-N 3.16Å; T63-E66 PolarHBondContact OG1-OE2 2.91Å; E66-I68 PolarHBondContact O-N 2.76Å; E66-N69 PolarHBondContact O-N 3.48Å; E66-A70 VanDerWaalsContact O-CB 3.23Å; E66-A70 WeakPolarHBondContact O-CB 3.34Å; E66-A70 PolarHBondContact O-N 3.23Å
67Y80.4Confident75.8Confident11 Ų1146 Ų464%0.04329%0.288CS..Hα-helixtrans-59.2-47.1173.6-167.1-104.7000112L13 F17 F54 I62 T63 L64 Q65 L71L13-Y67 HydrophobicContact CB-CE1 4.07Å; L13-Y67 WeakPolarHBondContact O-CE1 3.39Å; F17-Y67 HydrophobicContact CB-CD1 4.14Å; F17-Y67 HydrophobicContact CB-CE1 4.12Å; F17-Y67 AromaticContact CD2-CD1 3.96Å; F17-Y67 HydrophobicContact CD2-CD1 3.96Å; F17-Y67 AromaticContact CD2-CD2 4Å; F17-Y67 HydrophobicContact CD2-CD2 4Å; F17-Y67 AromaticContact CD2-CG 3.66Å; F17-Y67 HydrophobicContact CD2-CG 3.66Å; F17-Y67 HydrophobicContact CE2-CG 4.3Å; F17-Y67 HydrophobicContact CG-CD1 4.42Å; F54-Y67 AromaticContact CD1-CD2 3.46Å; F54-Y67 HydrophobicContact CD1-CD2 3.46Å; F54-Y67 VanDerWaalsContact CD1-CD2 3.46Å; F54-Y67 AromaticContact CD1-CE2 3.94Å; F54-Y67 HydrophobicContact CD1-CE2 3.94Å; F54-Y67 HydrophobicContact CD1-CG 4.29Å; F54-Y67 AromaticContact CE1-CD2 3.43Å; F54-Y67 HydrophobicContact CE1-CD2 3.43Å; F54-Y67 VanDerWaalsContact CE1-CD2 3.43Å; F54-Y67 AromaticContact CE1-CE2 3.46Å; F54-Y67 HydrophobicContact CE1-CE2 3.46Å; F54-Y67 VanDerWaalsContact CE1-CE2 3.46Å; F54-Y67 HydrophobicContact CE1-CG 4.28Å; F54-Y67 HydrophobicContact CE2-CE2 4.46Å; F54-Y67 HydrophobicContact CG-CD2 4.2Å; F54-Y67 HydrophobicContact CZ-CD2 4.18Å; F54-Y67 AromaticContact CZ-CE2 3.77Å; F54-Y67 HydrophobicContact CZ-CE2 3.77Å; I62-Y67 HydrophobicContact CG2-CD2 4.35Å; T63-Y67 PolarHBondContact O-N 3.47Å; L64-Y67 PolarHBondContact O-N 2.83Å; Q65-Y67 VanDerWaalsContact C-N 3.28Å; Q65-Y67 PolarHBondContact O-N 3.05Å; Y67-L71 HydrophobicContact CD1-CD1 3.62Å; Y67-L71 HydrophobicContact CD2-CD1 4.49Å; Y67-L71 HydrophobicContact CE1-CD1 3.3Å; Y67-L71 HydrophobicContact CE2-CD1 4.21Å; Y67-L71 HydrophobicContact CG-CD1 4.22Å; Y67-L71 WeakPolarHBondContact O-CD1 3.48Å; Y67-L71 WeakPolarHBondContact O-CG 3.48Å; Y67-L71 PolarHBondContact O-N 3.25Å
68I74.9Confident74.9Confident11 Ų1143.2 Ų43.26%0.05627%0.268CS..Hα-helixtrans-65.2-43.4177.1-71169.2000111.2L64 Q65 E66 L71 G72 L73 Q74L64-I68 HydrophobicContact CD1-CD1 4.14Å; L64-I68 HydrophobicContact CD1-CG1 4.4Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 WeakPolarHBondContact O-CB 3.38Å; L64-I68 VanDerWaalsContact O-CG1 3.26Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 3.3Å; Q65-I68 PolarHBondContact O-N 3.19Å; E66-I68 PolarHBondContact O-N 2.76Å; I68-L71 PolarHBondContact O-N 3.32Å; I68-G72 PolarHBondContact O-N 3.45Å; I68-L73 HydrophobicContact CG2-CB 3.99Å; I68-L73 PolarHBondContact O-N 3.44Å; I68-Q74 HydrophobicContact CG2-CG 3.91Å
69N73.3Confident73.9Confident44 Ų4450.2 Ų50.224%0.23528%0.284CS..Hα-helixtrans-63.2-48.6-179.4-71.45.4000111.1L56 Q65 E66 L71 G72 Q74L56-N69 HydrophobicContact CD1-CB 3.71Å; Q65-N69 PolarHBondContact NE2-OD1 3.04Å; Q65-N69 WeakPolarHBondContact O-CB 3.12Å; Q65-N69 PolarHBondContact O-N 2.99Å; Q65-N69 PolarHBondContact O-OD1 3.23Å; Q65-N69 VanDerWaalsContact O-OD1 3.13Å; E66-N69 PolarHBondContact O-N 3.48Å; N69-L71 PolarHBondContact O-N 3.17Å; N69-G72 PolarHBondContact O-N 2.86Å; N69-Q74 WeakPolarHBondContact OD1-CG 3.29Å; N69-Q74 PolarHBondContact OD1-NE2 3.43Å; N69-Q74 PolarHBondContact OD1-OE1 3.01Å
70A76.1Confident73.2Confident41 Ų4149.8 Ų49.834%0.33928%0.282SS..Hα-helixtrans-64.1-28.5179.700000113L53 F54 L56 E66 G72L53-A70 WeakPolarHBondContact O-CB 3.39Å; F54-A70 HydrophobicContact CD1-CB 3.48Å; F54-A70 VanDerWaalsContact CD1-CB 3.48Å; F54-A70 HydrophobicContact CE1-CB 3.97Å; F54-A70 HydrophobicContact CG-CB 4.25Å; L56-A70 HydrophobicContact CD1-CB 4.5Å; E66-A70 VanDerWaalsContact O-CB 3.23Å; E66-A70 WeakPolarHBondContact O-CB 3.34Å; E66-A70 PolarHBondContact O-N 3.23Å; A70-G72 VanDerWaalsContact C-N 3.33Å
71L75.4Confident72.9Confident22 Ų2249.4 Ų49.412%0.11528%0.279CS..THydrogen-bonded Turntrans-84.5-6.4175.7-62.5171.3000113.4L5 L13 F54 Y67 I68 N69 L73L5-L71 HydrophobicContact CD1-CB 3.97Å; L5-L71 HydrophobicContact CD1-CD2 3.47Å; L5-L71 VanDerWaalsContact CD1-CD2 3.47Å; L5-L71 HydrophobicContact CD1-CG 4.32Å; L5-L71 WeakPolarHBondContact CD1-O 3.44Å; L5-L71 HydrophobicContact CD2-CD2 3.73Å; L5-L71 HydrophobicContact CG-CD2 4.2Å; L13-L71 HydrophobicContact CB-CD1 4.03Å; L13-L71 HydrophobicContact CD1-CD1 4.08Å; L13-L71 HydrophobicContact CD2-CD1 4.13Å; L13-L71 HydrophobicContact CG-CD1 4.29Å; F54-L71 HydrophobicContact CE1-CD1 4.32Å; F54-L71 HydrophobicContact CE1-CD2 3.65Å; F54-L71 HydrophobicContact CE1-CG 3.77Å; F54-L71 HydrophobicContact CZ-CD2 3.81Å; F54-L71 HydrophobicContact CZ-CG 4.42Å; Y67-L71 HydrophobicContact CD1-CD1 3.62Å; Y67-L71 HydrophobicContact CD2-CD1 4.49Å; Y67-L71 HydrophobicContact CE1-CD1 3.3Å; Y67-L71 HydrophobicContact CE2-CD1 4.21Å; Y67-L71 HydrophobicContact CG-CD1 4.22Å; Y67-L71 WeakPolarHBondContact O-CD1 3.48Å; Y67-L71 WeakPolarHBondContact O-CG 3.48Å; Y67-L71 PolarHBondContact O-N 3.25Å; I68-L71 PolarHBondContact O-N 3.32Å; N69-L71 PolarHBondContact O-N 3.17Å; L71-L73 HydrophobicContact CB-CB 4.39Å; L71-L73 HydrophobicContact CB-CD1 3.79Å; L71-L73 HydrophobicContact CB-CG 3.6Å; L71-L73 HydrophobicContact CD1-CD1 3.6Å; L71-L73 HydrophobicContact CD1-CG 4.37Å; L71-L73 HydrophobicContact CG-CD1 4.34Å; L71-L73 PolarHBondContact O-N 2.81Å
72G67.5Low72.5Confident59 Ų5950.7 Ų50.761%0.60829%0.287SS*.THydrogen-bonded Turntrans59.727.1-171.500000112.5I68 N69 A70 Q74I68-G72 PolarHBondContact O-N 3.45Å; N69-G72 PolarHBondContact O-N 2.86Å; A70-G72 VanDerWaalsContact C-N 3.33Å; G72-Q74 PolarHBondContact O-N 3.05Å
73L64Low72Confident32 Ų3256 Ų5617%0.16831%0.312CS..  trans-80.70.7177.8-69.3175.5000112.6R10 L13 I68 L71R10-L73 HydrophobicContact CB-CD1 4.37Å; R10-L73 HydrophobicContact CB-CD2 4.04Å; R10-L73 HydrophobicContact CG-CB 4.45Å; R10-L73 HydrophobicContact CG-CD1 4.18Å; R10-L73 HydrophobicContact CG-CD2 4.5Å; R10-L73 PolarHBondContact NH1-O 3.3Å; L13-L73 HydrophobicContact CB-CD1 4.04Å; L13-L73 HydrophobicContact CD1-CD1 3.75Å; L13-L73 HydrophobicContact CD1-CD2 4.17Å; L13-L73 HydrophobicContact CD1-CG 4.41Å; I68-L73 HydrophobicContact CG2-CB 3.99Å; I68-L73 PolarHBondContact O-N 3.44Å; L71-L73 HydrophobicContact CB-CB 4.39Å; L71-L73 HydrophobicContact CB-CD1 3.79Å; L71-L73 HydrophobicContact CB-CG 3.6Å; L71-L73 HydrophobicContact CD1-CD1 3.6Å; L71-L73 HydrophobicContact CD1-CG 4.37Å; L71-L73 HydrophobicContact CG-CD1 4.34Å; L71-L73 PolarHBondContact O-N 2.81Å
74Q60.5Low71.7Confident32 Ų3254.3 Ų54.315%0.1530%0.3CS..SBendtrans-59.7138.7171.5-63.9-161.5-81.500109.1I68 N69 G72 R115I68-Q74 HydrophobicContact CG2-CG 3.91Å; N69-Q74 WeakPolarHBondContact OD1-CG 3.29Å; N69-Q74 PolarHBondContact OD1-NE2 3.43Å; N69-Q74 PolarHBondContact OD1-OE1 3.01Å; G72-Q74 PolarHBondContact O-N 3.05Å; Q74-R115 VanDerWaalsContact OE1-CB 3.29Å
75P57.9Low71.7Confident39 Ų3957.7 Ų57.725%0.25331%0.313SS..PPolyproline II helixtrans-54.8138.8174.818.8-24.8000108.9D112P75-D112 VanDerWaalsContact CD-OD1 3.29Å; P75-D112 WeakPolarHBondContact CD-OD1 3.5Å; P75-D112 HydrophobicContact CG-CB 3.81Å
76P58.9Low72Confident99 Ų9961.2 Ų61.264%0.64333%0.332SS*.PPolyproline II helixtrans-54.9148174.425-33.4000108.6
77P60.8Low71.9Confident28 Ų2861.3 Ų61.318%0.18234%0.335CS..PPolyproline II helixtrans-52.1139.5174.720.3-28.7000108.6K79 W84 Y113 I149P77-K79 PolarHBondContact O-N 3.33Å; P77-W84 HydrophobicContact CB-CZ2 3.99Å; P77-Y113 HydrophobicContact CB-CE1 4.19Å; P77-Y113 HydrophobicContact CB-CE2 3.8Å; P77-Y113 WeakPolarHBondContact CB-OH 3.43Å; P77-Y113 WeakPolarHBondContact CD-OH 3.44Å; P77-Y113 HydrophobicContact CG-CE2 4.17Å; P77-Y113 VanDerWaalsContact CG-OH 3.31Å; P77-Y113 WeakPolarHBondContact CG-OH 3.33Å; P77-I149 HydrophobicContact CB-CD1 4.32Å; P77-I149 HydrophobicContact CG-CD1 4.22Å; P77-I149 HydrophobicContact CG-CG1 4.08Å
78P64Low72Confident18 Ų1861.2 Ų61.212%0.11734%0.335CS..  trans-45.4114.2169.3-24.523.5000109.8D80 Q83 W84P78-D80 PolarHBondContact O-N 3.24Å; P78-Q83 HydrophobicContact CB-CB 3.71Å; P78-Q83 HydrophobicContact CG-CB 4.42Å; P78-W84 HydrophobicContact CB-CD2 4.28Å; P78-W84 HydrophobicContact CB-CG 4.4Å; P78-W84 HydrophobicContact CB-CZ2 4.4Å; P78-W84 VanDerWaalsContact CD-CZ2 3.4Å; P78-W84 HydrophobicContact CG-CD2 4.13Å; P78-W84 HydrophobicContact CG-CE3 4.47Å; P78-W84 HydrophobicContact CG-CH2 4.25Å; P78-W84 HydrophobicContact CG-CZ2 3.87Å; P78-W84 PolarHBondContact O-NE1 3.12Å
79K63.3Low72.4Confident200 Ų20064.8 Ų64.887%0.8735%0.354SS*.SBendtrans-71.4-21.2177.5-67.5-172.1177.9-173.60111.6P77P77-K79 PolarHBondContact O-N 3.33Å
80D73.3Confident72.9Confident75 Ų7565.2 Ų65.240%0.40136%0.36SS..SBendtrans-93.5120.6-177.4-155.4-51.5000110.2P78 N82 Q83 W84P78-D80 PolarHBondContact O-N 3.24Å; D80-N82 PolarHBondContact O-N 3.26Å; D80-N82 VanDerWaalsContact O-N 3.13Å; D80-N82 WeakPolarHBondContact OD1-CB 3.38Å; D80-N82 PolarHBondContact OD1-N 2.9Å; D80-N82 PolarHBondContact OD1-ND2 2.84Å; D80-Q83 HydrophobicContact CB-CG 4.35Å; D80-Q83 PolarHBondContact O-N 2.98Å; D80-W84 PolarHBondContact O-N 2.88Å
81I77.6Confident73.1Confident81 Ų8164.2 Ų64.242%0.41535%0.349SS..Hα-helixtrans-55.2-30174.3-64.5171000110.5Q83 W84 K85 F138 V142I81-Q83 VanDerWaalsContact C-N 3.35Å; I81-Q83 PolarHBondContact O-N 2.81Å; I81-W84 PolarHBondContact O-N 3.45Å; I81-K85 WeakPolarHBondContact O-CB 3.15Å; I81-K85 PolarHBondContact O-N 3.38Å; I81-F138 HydrophobicContact CG2-CE1 3.98Å; I81-F138 HydrophobicContact CG2-CZ 3.68Å; I81-V142 HydrophobicContact CD1-CG1 4.14Å; I81-V142 HydrophobicContact CG1-CG1 4.17Å; I81-V142 HydrophobicContact CG2-CG1 4.47Å; I81-V142 HydrophobicContact CG2-CG2 4.16Å
82N79.3Confident73.5Confident100 Ų10063.5 Ų63.554%0.53535%0.345SS..Hα-helixtrans-65.6-35.3177.3-63-61.7000112.6D80 K85 M86D80-N82 PolarHBondContact O-N 3.26Å; D80-N82 VanDerWaalsContact O-N 3.13Å; D80-N82 WeakPolarHBondContact OD1-CB 3.38Å; D80-N82 PolarHBondContact OD1-N 2.9Å; D80-N82 PolarHBondContact OD1-ND2 2.84Å; N82-K85 WeakPolarHBondContact O-CB 3.14Å; N82-K85 PolarHBondContact O-N 3.03Å; N82-M86 VanDerWaalsContact O-CG 3.26Å; N82-M86 WeakPolarHBondContact O-CG 3.26Å; N82-M86 PolarHBondContact O-N 3.2Å
83Q77.6Confident74Confident112 Ų11268.6 Ų68.652%0.52335%0.351SS..Hα-helixtrans-66.9-43.9175.7-73.7-178.138.700110.7P78 D80 I81 K85 M86 A87P78-Q83 HydrophobicContact CB-CB 3.71Å; P78-Q83 HydrophobicContact CG-CB 4.42Å; D80-Q83 HydrophobicContact CB-CG 4.35Å; D80-Q83 PolarHBondContact O-N 2.98Å; I81-Q83 VanDerWaalsContact C-N 3.35Å; I81-Q83 PolarHBondContact O-N 2.81Å; Q83-K85 VanDerWaalsContact C-N 3.28Å; Q83-K85 PolarHBondContact O-N 3.42Å; Q83-M86 PolarHBondContact O-N 2.83Å; Q83-A87 PolarHBondContact O-N 3.1Å
84W80.8Confident74.8Confident7 Ų772 Ų723%0.02737%0.369CS..Hα-helixtrans-59.7-40.7172.1-72.7119.3000112P77 P78 D80 I81 A87 F88 L107 L108 C111 Y113 F138 F141 L145P77-W84 HydrophobicContact CB-CZ2 3.99Å; P78-W84 HydrophobicContact CB-CD2 4.28Å; P78-W84 HydrophobicContact CB-CG 4.4Å; P78-W84 HydrophobicContact CB-CZ2 4.4Å; P78-W84 VanDerWaalsContact CD-CZ2 3.4Å; P78-W84 HydrophobicContact CG-CD2 4.13Å; P78-W84 HydrophobicContact CG-CE3 4.47Å; P78-W84 HydrophobicContact CG-CH2 4.25Å; P78-W84 HydrophobicContact CG-CZ2 3.87Å; P78-W84 PolarHBondContact O-NE1 3.12Å; D80-W84 PolarHBondContact O-N 2.88Å; I81-W84 PolarHBondContact O-N 3.45Å; W84-A87 PolarHBondContact O-N 2.99Å; W84-F88 WeakPolarHBondContact O-CB 3.49Å; W84-F88 PolarHBondContact O-N 2.63Å; W84-L107 HydrophobicContact CE3-CD2 3.76Å; W84-L107 HydrophobicContact CZ3-CD2 3.57Å; W84-L108 HydrophobicContact CH2-CD2 4.26Å; W84-L108 HydrophobicContact CZ3-CD2 4.35Å; W84-C111 HydrophobicContact CZ3-CB 4.29Å; W84-Y113 AromaticContact CH2-CD1 3.96Å; W84-Y113 HydrophobicContact CH2-CD1 3.96Å; W84-Y113 HydrophobicContact CH2-CG 4.32Å; W84-F138 HydrophobicContact CB-CE2 4.39Å; W84-F141 HydrophobicContact CB-CE1 4.16Å; W84-F141 AromaticContact CD2-CE1 3.92Å; W84-F141 HydrophobicContact CD2-CE1 3.92Å; W84-F141 HydrophobicContact CD2-CZ 4.27Å; W84-F141 AromaticContact CE3-CE1 3.55Å; W84-F141 HydrophobicContact CE3-CE1 3.55Å; W84-F141 AromaticContact CE3-CZ 3.61Å; W84-F141 HydrophobicContact CE3-CZ 3.61Å; W84-F141 HydrophobicContact CG-CE1 4.22Å; W84-F141 HydrophobicContact CH2-CZ 4.5Å; W84-F141 HydrophobicContact CZ3-CE1 4.2Å; W84-F141 AromaticContact CZ3-CZ 3.76Å; W84-F141 HydrophobicContact CZ3-CZ 3.76Å; W84-L145 HydrophobicContact CD2-CD1 3.44Å; W84-L145 VanDerWaalsContact CD2-CD1 3.44Å; W84-L145 HydrophobicContact CE3-CD1 3.99Å; W84-L145 HydrophobicContact CG-CD1 3.71Å; W84-L145 HydrophobicContact CH2-CD1 4.27Å; W84-L145 HydrophobicContact CH2-CD2 4.06Å; W84-L145 HydrophobicContact CZ2-CD1 3.75Å; W84-L145 HydrophobicContact CZ2-CD2 3.7Å; W84-L145 HydrophobicContact CZ2-CG 4.37Å; W84-L145 HydrophobicContact CZ3-CD1 4.39Å
85K81.8Confident75.5Confident117 Ų11777 Ų7751%0.50939%0.39SS..Hα-helixtrans-64.4-39.5176.7-167.3172.7-179.4173.50112.6I81 N82 Q83 F88 D89 F138I81-K85 WeakPolarHBondContact O-CB 3.15Å; I81-K85 PolarHBondContact O-N 3.38Å; N82-K85 WeakPolarHBondContact O-CB 3.14Å; N82-K85 PolarHBondContact O-N 3.03Å; Q83-K85 VanDerWaalsContact C-N 3.28Å; Q83-K85 PolarHBondContact O-N 3.42Å; K85-F88 PolarHBondContact O-N 3.04Å; K85-D89 WeakPolarHBondContact O-CB 3.47Å; K85-D89 PolarHBondContact O-N 2.99Å; K85-F138 VanDerWaalsContact CA-CE2 3.42Å; K85-F138 HydrophobicContact CB-CE1 4.36Å; K85-F138 HydrophobicContact CB-CE2 3.77Å; K85-F138 HydrophobicContact CB-CZ 3.54Å; K85-F138 HydrophobicContact CD-CE1 4.38Å; K85-F138 HydrophobicContact CD-CZ 4.35Å; K85-F138 HydrophobicContact CG-CE1 4.34Å; K85-F138 HydrophobicContact CG-CE2 4.17Å; K85-F138 HydrophobicContact CG-CZ 3.94Å
86M82.4Confident76.5Confident143 Ų14377.1 Ų77.170%0.70439%0.392SS*.Hα-helixtrans-67.5-42.7176.1-72.117880.200111.3N82 Q83 F88 S90N82-M86 VanDerWaalsContact O-CG 3.26Å; N82-M86 WeakPolarHBondContact O-CG 3.26Å; N82-M86 PolarHBondContact O-N 3.2Å; Q83-M86 PolarHBondContact O-N 2.83Å; M86-F88 VanDerWaalsContact C-N 3.33Å; M86-S90 VanDerWaalsContact O-CB 3.29Å; M86-S90 WeakPolarHBondContact O-CB 3.35Å; M86-S90 PolarHBondContact O-N 3.25Å
87A81Confident77.6Confident16 Ų1673.8 Ų73.813%0.13238%0.375CS..Hα-helixtrans-63.7-41.3173.800000111.3Q83 W84 S90 I91 L107 C111Q83-A87 PolarHBondContact O-N 3.1Å; W84-A87 PolarHBondContact O-N 2.99Å; A87-S90 WeakPolarHBondContact O-CB 3.49Å; A87-S90 PolarHBondContact O-N 3.02Å; A87-I91 WeakPolarHBondContact O-CG1 3.2Å; A87-I91 PolarHBondContact O-N 3.03Å; A87-I91 VanDerWaalsContact O-N 3.09Å; A87-L107 HydrophobicContact CB-CD1 4.32Å; A87-L107 HydrophobicContact CB-CD2 4.1Å; A87-L107 HydrophobicContact CB-CG 3.94Å; A87-C111 VanDerWaalsContact CB-SG 3.56Å
88F82Confident78.7Confident10 Ų1077.2 Ų77.24%0.04439%0.385CS..Hα-helixtrans-60.3-53.7176.2-168.8-77.7000111.4W84 K85 M86 S90 I91 D92 G97 L99 L107 F138 F141W84-F88 WeakPolarHBondContact O-CB 3.49Å; W84-F88 PolarHBondContact O-N 2.63Å; K85-F88 PolarHBondContact O-N 3.04Å; M86-F88 VanDerWaalsContact C-N 3.33Å; F88-S90 PolarHBondContact O-N 3.36Å; F88-I91 PolarHBondContact O-N 3.29Å; F88-I91 VanDerWaalsContact O-N 3.13Å; F88-D92 HydrophobicContact CD1-CB 4.1Å; F88-D92 HydrophobicContact CE1-CB 4.04Å; F88-D92 WeakPolarHBondContact O-CB 3.47Å; F88-D92 PolarHBondContact O-N 3.34Å; F88-G97 WeakPolarHBondContact CZ-O 3.23Å; F88-L99 HydrophobicContact CD2-CD1 3.31Å; F88-L99 HydrophobicContact CD2-CG 3.8Å; F88-L99 HydrophobicContact CE1-CG 4.23Å; F88-L99 HydrophobicContact CE2-CB 4.25Å; F88-L99 HydrophobicContact CE2-CD1 3.47Å; F88-L99 VanDerWaalsContact CE2-CD1 3.47Å; F88-L99 HydrophobicContact CE2-CG 3.43Å; F88-L99 VanDerWaalsContact CE2-CG 3.43Å; F88-L99 HydrophobicContact CG-CD1 3.94Å; F88-L99 HydrophobicContact CG-CG 4.36Å; F88-L99 HydrophobicContact CZ-CD1 4.16Å; F88-L99 HydrophobicContact CZ-CD2 4.43Å; F88-L99 HydrophobicContact CZ-CG 3.66Å; F88-L107 HydrophobicContact CB-CD1 4.13Å; F88-L107 HydrophobicContact CD2-CD1 4.39Å; F88-F138 HydrophobicContact CB-CD2 3.87Å; F88-F138 HydrophobicContact CB-CE2 4.19Å; F88-F138 HydrophobicContact CD1-CB 4.37Å; F88-F138 HydrophobicContact CD1-CD2 4.22Å; F88-F138 HydrophobicContact CD2-CB 4.26Å; F88-F138 AromaticContact CD2-CD2 3.67Å; F88-F138 HydrophobicContact CD2-CD2 3.67Å; F88-F138 HydrophobicContact CD2-CG 4.47Å; F88-F138 HydrophobicContact CE1-CB 4.12Å; F88-F138 HydrophobicContact CE2-CB 3.95Å; F88-F138 HydrophobicContact CE2-CD2 4.21Å; F88-F138 HydrophobicContact CG-CB 4.45Å; F88-F138 AromaticContact CG-CD2 3.66Å; F88-F138 HydrophobicContact CG-CD2 3.66Å; F88-F138 HydrophobicContact CG-CE2 4.46Å; F88-F138 HydrophobicContact CG-CG 4.49Å; F88-F138 HydrophobicContact CZ-CB 3.89Å; F88-F141 HydrophobicContact CD2-CD1 4.42Å
89D83.2Confident79.7Confident86 Ų8676.4 Ų76.446%0.4638%0.38SS..Hα-helixtrans-66.6-24.1179-164.973.3000112.5K85 K95K85-D89 WeakPolarHBondContact O-CB 3.47Å; K85-D89 PolarHBondContact O-N 2.99Å; D89-K95 IonicContact OD1-NZ 2.83Å; D89-K95 PolarHBondContact OD1-NZ 3.4Å; D89-K95 IonicContact OD2-NZ 3.85Å; D89-K95 PolarHBondContact OD2-NZ 3.22Å
90S82.7Confident80.6Confident52 Ų5269 Ų6936%0.36435%0.351SS..Hα-helixtrans-70.5-36.8173.7-170.80000112M86 A87 F88 K93M86-S90 VanDerWaalsContact O-CB 3.29Å; M86-S90 WeakPolarHBondContact O-CB 3.35Å; M86-S90 PolarHBondContact O-N 3.25Å; A87-S90 WeakPolarHBondContact O-CB 3.49Å; A87-S90 PolarHBondContact O-N 3.02Å; F88-S90 PolarHBondContact O-N 3.36Å; S90-K93 WeakPolarHBondContact O-CD 3.16Å; S90-K93 WeakPolarHBondContact O-CE 3.37Å; S90-K93 PolarHBondContact O-NZ 3.23Å
91I81.9Confident81Confident21 Ų2166.7 Ų66.711%0.10834%0.342CS..Hα-helixtrans-87.1-38.4-180-62.4-59.1000112.1A87 F88 K93 L99 E103 T106 L107 E110A87-I91 WeakPolarHBondContact O-CG1 3.2Å; A87-I91 PolarHBondContact O-N 3.03Å; A87-I91 VanDerWaalsContact O-N 3.09Å; F88-I91 PolarHBondContact O-N 3.29Å; F88-I91 VanDerWaalsContact O-N 3.13Å; I91-K93 PolarHBondContact O-N 3.18Å; I91-L99 HydrophobicContact CB-CD2 4.3Å; I91-L99 HydrophobicContact CG2-CD2 3.91Å; I91-E103 HydrophobicContact CG2-CB 3.56Å; I91-E103 HydrophobicContact CG2-CG 3.84Å; I91-T106 HydrophobicContact CD1-CG2 3.79Å; I91-L107 HydrophobicContact CG1-CB 3.87Å; I91-L107 HydrophobicContact CG1-CG 4.27Å; I91-E110 HydrophobicContact CD1-CG 4.17Å
92D83.5Confident81.2Confident6 Ų667.8 Ų67.83%0.03235%0.348CS..  trans-68.269.4176.7-175.216.9000110.8F88 D94 K95 S96 G97 L99F88-D92 HydrophobicContact CD1-CB 4.1Å; F88-D92 HydrophobicContact CE1-CB 4.04Å; F88-D92 WeakPolarHBondContact O-CB 3.47Å; F88-D92 PolarHBondContact O-N 3.34Å; D92-D94 VanDerWaalsContact C-N 3.25Å; D92-D94 PolarHBondContact O-N 2.86Å; D92-K95 PolarHBondContact O-N 3.33Å; D92-K95 VanDerWaalsContact O-N 3.07Å; D92-K95 WeakPolarHBondContact OD1-CA 3.21Å; D92-K95 PolarHBondContact OD1-N 3.07Å; D92-K95 WeakPolarHBondContact OD2-CA 3.39Å; D92-S96 PolarHBondContact OD1-N 2.83Å; D92-S96 PolarHBondContact OD1-OG 3.13Å; D92-S96 PolarHBondContact OD2-N 2.8Å; D92-G97 VanDerWaalsContact OD2-CA 3.29Å; D92-G97 WeakPolarHBondContact OD2-CA 3.45Å; D92-G97 PolarHBondContact OD2-N 2.74Å; D92-L99 HydrophobicContact CB-CD2 3.77Å
93K77.8Confident81.4Confident167 Ų16765.4 Ų65.473%0.72633%0.334SS*.THydrogen-bonded Turntrans-64.4-31.4-175.4-66.1-52.7-172.6-163.60112.4S90 I91 K95S90-K93 WeakPolarHBondContact O-CD 3.16Å; S90-K93 WeakPolarHBondContact O-CE 3.37Å; S90-K93 PolarHBondContact O-NZ 3.23Å; I91-K93 PolarHBondContact O-N 3.18Å; K93-K95 VanDerWaalsContact C-N 3.26Å
94D80.1Confident81.6Confident104 Ų10460.3 Ų60.356%0.55631%0.31SS*.THydrogen-bonded Turntrans-84.1-4.2178.272.2-9.5000112.6D92 S96D92-D94 VanDerWaalsContact C-N 3.25Å; D92-D94 PolarHBondContact O-N 2.86Å; D94-S96 PolarHBondContact O-N 2.99Å; D94-S96 WeakPolarHBondContact OD1-CB 3.45Å; D94-S96 PolarHBondContact OD1-N 3.21Å; D94-S96 PolarHBondContact OD1-OG 3.29Å
95K75.4Confident81.5Confident136 Ų13661.7 Ų61.759%0.59132%0.321SS*.  trans50.135.1-175.3-62.3-170.8170.5-80.60111.4D89 D92 K93 G97D89-K95 IonicContact OD1-NZ 2.83Å; D89-K95 PolarHBondContact OD1-NZ 3.4Å; D89-K95 IonicContact OD2-NZ 3.85Å; D89-K95 PolarHBondContact OD2-NZ 3.22Å; D92-K95 PolarHBondContact O-N 3.33Å; D92-K95 VanDerWaalsContact O-N 3.07Å; D92-K95 WeakPolarHBondContact OD1-CA 3.21Å; D92-K95 PolarHBondContact OD1-N 3.07Å; D92-K95 WeakPolarHBondContact OD2-CA 3.39Å; K93-K95 VanDerWaalsContact C-N 3.26Å; K95-G97 PolarHBondContact O-N 3Å
96S80.1Confident81.5Confident41 Ų4159.6 Ų59.629%0.28732%0.318SS..  trans-68.1-22177.462.70000111.1D92 D94 Y98D92-S96 PolarHBondContact OD1-N 2.83Å; D92-S96 PolarHBondContact OD1-OG 3.13Å; D92-S96 PolarHBondContact OD2-N 2.8Å; D94-S96 PolarHBondContact O-N 2.99Å; D94-S96 WeakPolarHBondContact OD1-CB 3.45Å; D94-S96 PolarHBondContact OD1-N 3.21Å; D94-S96 PolarHBondContact OD1-OG 3.29Å; S96-Y98 VanDerWaalsContact C-N 3.27Å; S96-Y98 WeakPolarHBondContact O-CD2 3.16Å; S96-Y98 VanDerWaalsContact O-CE2 3.28Å; S96-Y98 WeakPolarHBondContact O-CE2 3.28Å; S96-Y98 PolarHBondContact OG-N 2.83Å; S96-Y98 PolarHBondContact OG-O 3.48Å; S96-Y98 VanDerWaalsContact OG-O 3.13Å
97G80.9Confident81.5Confident29 Ų2952.8 Ų52.830%0.29928%0.284SS..SBendtrans81.98.1-171.700000112.8F88 D92 K95 S137F88-G97 WeakPolarHBondContact CZ-O 3.23Å; D92-G97 VanDerWaalsContact OD2-CA 3.29Å; D92-G97 WeakPolarHBondContact OD2-CA 3.45Å; D92-G97 PolarHBondContact OD2-N 2.74Å; K95-G97 PolarHBondContact O-N 3Å; G97-S137 WeakPolarHBondContact O-CA 3.33Å
98Y84.5Confident81.3Confident101 Ų10152.2 Ų52.240%0.39628%0.279SS..EExtended strand (participates in β ladder)trans-132.4140.1-177.9-55-90.8000110.8S96 K135 I136S96-Y98 VanDerWaalsContact C-N 3.27Å; S96-Y98 WeakPolarHBondContact O-CD2 3.16Å; S96-Y98 VanDerWaalsContact O-CE2 3.28Å; S96-Y98 WeakPolarHBondContact O-CE2 3.28Å; S96-Y98 PolarHBondContact OG-N 2.83Å; S96-Y98 PolarHBondContact OG-O 3.48Å; S96-Y98 VanDerWaalsContact OG-O 3.13Å; Y98-K135 HydrophobicContact CG-CB 4.47Å; Y98-I136 CarbonylContact C-O 3.54Å; Y98-I136 VanDerWaalsContact CA-O 3.28Å; Y98-I136 WeakPolarHBondContact CA-O 3.27Å
99L84Confident81Confident0 Ų057.3 Ų57.30%030%0.302CS..EExtended strand (participates in β ladder)trans-112.8136.3173.4-63.7-178.8000111F88 I91 D92 E103 I104 L107 K135 I136F88-L99 HydrophobicContact CD2-CD1 3.31Å; F88-L99 HydrophobicContact CD2-CG 3.8Å; F88-L99 HydrophobicContact CE1-CG 4.23Å; F88-L99 HydrophobicContact CE2-CB 4.25Å; F88-L99 HydrophobicContact CE2-CD1 3.47Å; F88-L99 VanDerWaalsContact CE2-CD1 3.47Å; F88-L99 HydrophobicContact CE2-CG 3.43Å; F88-L99 VanDerWaalsContact CE2-CG 3.43Å; F88-L99 HydrophobicContact CG-CD1 3.94Å; F88-L99 HydrophobicContact CG-CG 4.36Å; F88-L99 HydrophobicContact CZ-CD1 4.16Å; F88-L99 HydrophobicContact CZ-CD2 4.43Å; F88-L99 HydrophobicContact CZ-CG 3.66Å; I91-L99 HydrophobicContact CB-CD2 4.3Å; I91-L99 HydrophobicContact CG2-CD2 3.91Å; D92-L99 HydrophobicContact CB-CD2 3.77Å; L99-E103 HydrophobicContact CB-CB 4.07Å; L99-E103 HydrophobicContact CD2-CB 3.99Å; L99-E103 HydrophobicContact CG-CB 4.49Å; L99-I104 HydrophobicContact CB-CD1 4.48Å; L99-I104 HydrophobicContact CB-CG1 3.77Å; L99-I104 HydrophobicContact CD1-CG1 4.34Å; L99-L107 HydrophobicContact CD1-CD1 3.42Å; L99-L107 VanDerWaalsContact CD1-CD1 3.42Å; L99-K135 CarbonylContact O-C 3.55Å; L99-K135 WeakPolarHBondContact O-CA 3.33Å; L99-I136 PolarHBondContact N-O 3.09Å; L99-I136 PolarHBondContact O-N 3.4Å
100T82.9Confident80.4Confident44 Ų4459.8 Ų59.827%0.2731%0.311SS..EExtended strand (participates in β ladder)trans-76.6166.7169.3610000111.3N102 E103 I104 K135T100-N102 VanDerWaalsContact C-N 3.26Å; T100-N102 PolarHBondContact O-N 3.27Å; T100-E103 WeakPolarHBondContact CB-OE2 3.1Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.38Å; T100-E103 PolarHBondContact N-OE2 2.95Å; T100-E103 WeakPolarHBondContact O-CB 3.32Å; T100-E103 PolarHBondContact O-N 2.94Å; T100-E103 WeakPolarHBondContact OG1-CG 3.25Å; T100-E103 PolarHBondContact OG1-OE2 3.2Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.16Å; T100-K135 HydrophobicContact CG2-CD 4.47Å; T100-K135 HydrophobicContact CG2-CG 4.13Å
101S81.3Confident79.7Confident28 Ų2858.8 Ų58.820%0.19630%0.304CS..Hα-helixtrans-57.8-35.1178.766.70000115.1C105 Q118 N122S101-C105 PolarHBondContact O-N 2.91Å; S101-C105 VanDerWaalsContact O-N 3.11Å; S101-Q118 PolarHBondContact O-NE2 2.97Å; S101-Q118 PolarHBondContact OG-NE2 2.94Å; S101-N122 WeakPolarHBondContact CB-OD1 3.24Å; S101-N122 PolarHBondContact OG-OD1 3.42Å
102N82.2Confident79Confident103 Ų10361.1 Ų61.155%0.55132%0.316SS*.Hα-helixtrans-70.4-37.9176.3-72.6-0.8000111.2T100 C105 T106T100-N102 VanDerWaalsContact C-N 3.26Å; T100-N102 PolarHBondContact O-N 3.27Å; N102-C105 WeakPolarHBondContact O-CB 3.31Å; N102-C105 PolarHBondContact O-N 3.07Å; N102-T106 PolarHBondContact O-N 2.82Å; N102-T106 PolarHBondContact O-OG1 3.04Å
103E83.8Confident78.3Confident51 Ų5161.1 Ų61.124%0.23832%0.316CS..Hα-helixtrans-70.1-39.9178.1-76.6166.4143.400111.6I91 L99 T100 C105 T106 L107I91-E103 HydrophobicContact CG2-CB 3.56Å; I91-E103 HydrophobicContact CG2-CG 3.84Å; L99-E103 HydrophobicContact CB-CB 4.07Å; L99-E103 HydrophobicContact CD2-CB 3.99Å; L99-E103 HydrophobicContact CG-CB 4.49Å; T100-E103 WeakPolarHBondContact CB-OE2 3.1Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.38Å; T100-E103 PolarHBondContact N-OE2 2.95Å; T100-E103 WeakPolarHBondContact O-CB 3.32Å; T100-E103 PolarHBondContact O-N 2.94Å; T100-E103 WeakPolarHBondContact OG1-CG 3.25Å; T100-E103 PolarHBondContact OG1-OE2 3.2Å; E103-C105 VanDerWaalsContact C-N 3.32Å; E103-C105 PolarHBondContact O-N 3.1Å; E103-T106 CarbonylContact O-C 3.53Å; E103-T106 WeakPolarHBondContact O-CB 3.36Å; E103-T106 PolarHBondContact O-N 3.43Å; E103-T106 VanDerWaalsContact O-N 3.12Å; E103-L107 WeakPolarHBondContact O-CB 3.39Å; E103-L107 PolarHBondContact O-N 3.4Å
104I81.1Confident77.7Confident5 Ų554.8 Ų54.83%0.02629%0.29CS..Hα-helixtrans-61.4-43.7172.5-64-179.6000110.4L99 T100 T106 L107 L108 I121 I125 I136 F141L99-I104 HydrophobicContact CB-CD1 4.48Å; L99-I104 HydrophobicContact CB-CG1 3.77Å; L99-I104 HydrophobicContact CD1-CG1 4.34Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.16Å; I104-T106 PolarHBondContact O-N 3.19Å; I104-L107 WeakPolarHBondContact O-CB 3.43Å; I104-L107 PolarHBondContact O-N 3.09Å; I104-L108 HydrophobicContact CG2-CD1 3.85Å; I104-L108 HydrophobicContact CG2-CG 4.18Å; I104-L108 WeakPolarHBondContact O-CB 3.48Å; I104-L108 WeakPolarHBondContact O-CG 3.47Å; I104-L108 PolarHBondContact O-N 3.24Å; I104-I121 HydrophobicContact CB-CG2 4.04Å; I104-I121 HydrophobicContact CG2-CG2 3.88Å; I104-I125 HydrophobicContact CD1-CD1 3.99Å; I104-I125 HydrophobicContact CD1-CG1 4.12Å; I104-I136 HydrophobicContact CD1-CB 3.99Å; I104-I136 HydrophobicContact CD1-CD1 3.92Å; I104-I136 HydrophobicContact CD1-CG1 4.31Å; I104-I136 HydrophobicContact CD1-CG2 4.33Å; I104-F141 HydrophobicContact CG2-CE2 4.24Å
105C79.6Confident77Confident36 Ų3653.7 Ų53.724%0.24328%0.278CS..Hα-helixtrans-57.7-41.3174.3-169.50000111.6S101 N102 E103 H109 I121S101-C105 PolarHBondContact O-N 2.91Å; S101-C105 VanDerWaalsContact O-N 3.11Å; N102-C105 WeakPolarHBondContact O-CB 3.31Å; N102-C105 PolarHBondContact O-N 3.07Å; E103-C105 VanDerWaalsContact C-N 3.32Å; E103-C105 PolarHBondContact O-N 3.1Å; C105-H109 WeakPolarHBondContact O-CB 3.31Å; C105-H109 PolarHBondContact O-N 2.77Å; C105-I121 HydrophobicContact CB-CD1 3.65Å
106T81.2Confident76.6Confident73 Ų7348.9 Ų48.945%0.44826%0.257SS..Hα-helixtrans-68.4-40177.4-52.20000111.7I91 N102 E103 I104 H109 E110I91-T106 HydrophobicContact CD1-CG2 3.79Å; N102-T106 PolarHBondContact O-N 2.82Å; N102-T106 PolarHBondContact O-OG1 3.04Å; E103-T106 CarbonylContact O-C 3.53Å; E103-T106 WeakPolarHBondContact O-CB 3.36Å; E103-T106 PolarHBondContact O-N 3.43Å; E103-T106 VanDerWaalsContact O-N 3.12Å; I104-T106 PolarHBondContact O-N 3.19Å; T106-H109 WeakPolarHBondContact O-CB 3.39Å; T106-H109 PolarHBondContact O-N 2.85Å; T106-E110 PolarHBondContact O-N 2.9Å
107L81.4Confident76.2Confident0 Ų050.5 Ų50.50%027%0.265CS..Hα-helixtrans-62-47.5176.6-173.1157.6000111.4W84 A87 F88 I91 L99 E103 I104 H109 E110 C111 F141W84-L107 HydrophobicContact CE3-CD2 3.76Å; W84-L107 HydrophobicContact CZ3-CD2 3.57Å; A87-L107 HydrophobicContact CB-CD1 4.32Å; A87-L107 HydrophobicContact CB-CD2 4.1Å; A87-L107 HydrophobicContact CB-CG 3.94Å; F88-L107 HydrophobicContact CB-CD1 4.13Å; F88-L107 HydrophobicContact CD2-CD1 4.39Å; I91-L107 HydrophobicContact CG1-CB 3.87Å; I91-L107 HydrophobicContact CG1-CG 4.27Å; L99-L107 HydrophobicContact CD1-CD1 3.42Å; L99-L107 VanDerWaalsContact CD1-CD1 3.42Å; E103-L107 WeakPolarHBondContact O-CB 3.39Å; E103-L107 PolarHBondContact O-N 3.4Å; I104-L107 WeakPolarHBondContact O-CB 3.43Å; I104-L107 PolarHBondContact O-N 3.09Å; L107-H109 PolarHBondContact O-N 3.27Å; L107-E110 PolarHBondContact O-N 3.44Å; L107-C111 PolarHBondContact O-N 2.74Å; L107-C111 PolarHBondContact O-SG 3.23Å; L107-F141 HydrophobicContact CD1-CZ 4.46Å; L107-F141 HydrophobicContact CD2-CE1 4.27Å; L107-F141 HydrophobicContact CD2-CZ 3.71Å
108L78.1Confident75.9Confident3 Ų352 Ų522%0.01626%0.264CS..Hα-helixtrans-61-36.2176-68.5172.3000110.7W84 I104 C111 D112 Y113 Y116 I121 W124W84-L108 HydrophobicContact CH2-CD2 4.26Å; W84-L108 HydrophobicContact CZ3-CD2 4.35Å; I104-L108 HydrophobicContact CG2-CD1 3.85Å; I104-L108 HydrophobicContact CG2-CG 4.18Å; I104-L108 WeakPolarHBondContact O-CB 3.48Å; I104-L108 WeakPolarHBondContact O-CG 3.47Å; I104-L108 PolarHBondContact O-N 3.24Å; L108-C111 PolarHBondContact O-N 2.77Å; L108-D112 PolarHBondContact O-N 2.81Å; L108-Y113 HydrophobicContact CD2-CD1 3.83Å; L108-Y113 CarbonylContact O-C 3.36Å; L108-Y113 WeakPolarHBondContact O-CA 3.44Å; L108-Y113 PolarHBondContact O-N 3.13Å; L108-Y116 HydrophobicContact CD1-CD2 4.18Å; L108-I121 HydrophobicContact CD1-CD1 3.65Å; L108-I121 HydrophobicContact CD1-CG1 3.99Å; L108-W124 HydrophobicContact CD1-CZ3 4.29Å
109H74.5Confident75.4Confident118 Ų11853.2 Ų53.255%0.54628%0.275SS..Hα-helixtrans-65.8-46173.8-162.678.8000113.5C105 T106 L107 C111 D112 N114C105-H109 WeakPolarHBondContact O-CB 3.31Å; C105-H109 PolarHBondContact O-N 2.77Å; T106-H109 WeakPolarHBondContact O-CB 3.39Å; T106-H109 PolarHBondContact O-N 2.85Å; L107-H109 PolarHBondContact O-N 3.27Å; H109-C111 PolarHBondContact O-N 3.4Å; H109-D112 PolarHBondContact O-N 3.46Å; H109-D112 VanDerWaalsContact O-N 3.07Å; H109-N114 WeakPolarHBondContact CA-OD1 3.42Å; H109-N114 WeakPolarHBondContact CB-OD1 3.37Å; H109-N114 PolarHBondContact ND1-ND2 3.42Å; H109-N114 PolarHBondContact ND1-OD1 3.36Å
110E72Confident74.8Confident137 Ų13756.9 Ų56.964%0.6429%0.292SS*.Hα-helixtrans-62.4-30.8176-79-79.7116.400112.6I91 T106 L107 D112I91-E110 HydrophobicContact CD1-CG 4.17Å; T106-E110 PolarHBondContact O-N 2.9Å; L107-E110 PolarHBondContact O-N 3.44Å; E110-D112 VanDerWaalsContact C-N 3.26Å; E110-D112 PolarHBondContact O-N 2.94Å
111C68.2Low74.6Confident31 Ų3154.8 Ų54.821%0.20928%0.279CS..THydrogen-bonded Turntrans-83.65.1176.7-630000113.8W84 A87 L107 L108 H109 Y113W84-C111 HydrophobicContact CZ3-CB 4.29Å; A87-C111 VanDerWaalsContact CB-SG 3.56Å; L107-C111 PolarHBondContact O-N 2.74Å; L107-C111 PolarHBondContact O-SG 3.23Å; L108-C111 PolarHBondContact O-N 2.77Å; H109-C111 PolarHBondContact O-N 3.4Å; C111-Y113 PolarHBondContact O-N 3.08Å
112D66.2Low74.5Confident70 Ų7057 Ų5737%0.37429%0.289SS..THydrogen-bonded Turntrans56.218.2-170.1-154.5-91.6000112.1R10 P75 L108 H109 E110 N114R10-D112 IonicContact NH2-OD1 2.94Å; P75-D112 VanDerWaalsContact CD-OD1 3.29Å; P75-D112 WeakPolarHBondContact CD-OD1 3.5Å; P75-D112 HydrophobicContact CG-CB 3.81Å; L108-D112 PolarHBondContact O-N 2.81Å; H109-D112 PolarHBondContact O-N 3.46Å; H109-D112 VanDerWaalsContact O-N 3.07Å; E110-D112 VanDerWaalsContact C-N 3.26Å; E110-D112 PolarHBondContact O-N 2.94Å; D112-N114 VanDerWaalsContact C-N 3.33Å; D112-N114 PolarHBondContact O-N 3.17Å
113Y68.4Low74.3Confident7 Ų757.8 Ų57.83%0.02729%0.288CS..  trans-99.348.2-175.7-154.7-114.6000111.4P77 W84 L108 C111 R115 Y116P77-Y113 HydrophobicContact CB-CE1 4.19Å; P77-Y113 HydrophobicContact CB-CE2 3.8Å; P77-Y113 WeakPolarHBondContact CB-OH 3.43Å; P77-Y113 WeakPolarHBondContact CD-OH 3.44Å; P77-Y113 HydrophobicContact CG-CE2 4.17Å; P77-Y113 VanDerWaalsContact CG-OH 3.31Å; P77-Y113 WeakPolarHBondContact CG-OH 3.33Å; W84-Y113 AromaticContact CH2-CD1 3.96Å; W84-Y113 HydrophobicContact CH2-CD1 3.96Å; W84-Y113 HydrophobicContact CH2-CG 4.32Å; L108-Y113 HydrophobicContact CD2-CD1 3.83Å; L108-Y113 CarbonylContact O-C 3.36Å; L108-Y113 WeakPolarHBondContact O-CA 3.44Å; L108-Y113 PolarHBondContact O-N 3.13Å; C111-Y113 PolarHBondContact O-N 3.08Å; Y113-R115 HydrophobicContact CD1-CG 4.37Å; Y113-R115 HydrophobicContact CE1-CG 4.02Å; Y113-R115 VanDerWaalsContact CZ-CD 3.49Å; Y113-R115 VanDerWaalsContact CZ-NE 3.3Å; Y113-R115 PolarHBondContact O-N 3.29Å; Y113-R115 PolarHBondContact OH-NE 3.36Å; Y113-R115 PolarHBondContact OH-NH1 3.01Å; Y113-R115 PolarHBondContact OH-NH2 3.04Å; Y113-Y116 HydrophobicContact CE1-CE2 4.23Å
114N66.3Low73.9Confident34 Ų3456.9 Ų56.918%0.18228%0.282CS..  trans-7744.4-177.6-69.3-54.5000113.2H109 D112 Y116H109-N114 WeakPolarHBondContact CA-OD1 3.42Å; H109-N114 WeakPolarHBondContact CB-OD1 3.37Å; H109-N114 PolarHBondContact ND1-ND2 3.42Å; H109-N114 PolarHBondContact ND1-OD1 3.36Å; D112-N114 VanDerWaalsContact C-N 3.33Å; D112-N114 PolarHBondContact O-N 3.17Å; N114-Y116 VanDerWaalsContact C-N 3.34Å
115R64.4Low73.6Confident81 Ų8157.1 Ų57.131%0.30628%0.283SS..  trans-84.9-9.5-179.681.1178.1-178.8168.43113.5Q74 Y113 E148Q74-R115 VanDerWaalsContact OE1-CB 3.29Å; Y113-R115 HydrophobicContact CD1-CG 4.37Å; Y113-R115 HydrophobicContact CE1-CG 4.02Å; Y113-R115 VanDerWaalsContact CZ-CD 3.49Å; Y113-R115 VanDerWaalsContact CZ-NE 3.3Å; Y113-R115 PolarHBondContact O-N 3.29Å; Y113-R115 PolarHBondContact OH-NE 3.36Å; Y113-R115 PolarHBondContact OH-NH1 3.01Å; Y113-R115 PolarHBondContact OH-NH2 3.04Å; R115-E148 IonicContact NH2-OE2 3.13Å
116Y67.2Low73.6Confident34 Ų3462.6 Ų62.613%0.13331%0.305CS..SBendtrans-121.7132.4-175.7-57.7-66.2000112.6L108 Y113 N114 E120 W124 E148L108-Y116 HydrophobicContact CD1-CD2 4.18Å; Y113-Y116 HydrophobicContact CE1-CE2 4.23Å; N114-Y116 VanDerWaalsContact C-N 3.34Å; Y116-E120 HydrophobicContact CD1-CB 4.24Å; Y116-W124 AromaticContact CD1-CE2 3.65Å; Y116-W124 AromaticContact CD1-CH2 3.44Å; Y116-W124 HydrophobicContact CD1-CH2 3.44Å; Y116-W124 VanDerWaalsContact CD1-CH2 3.44Å; Y116-W124 AromaticContact CD1-CZ2 3.08Å; Y116-W124 HydrophobicContact CD1-CZ2 3.08Å; Y116-W124 HydrophobicContact CD1-CZ3 4.09Å; Y116-W124 HydrophobicContact CD2-CE3 4.38Å; Y116-W124 AromaticContact CD2-CH2 2.97Å; Y116-W124 HydrophobicContact CD2-CH2 2.97Å; Y116-W124 AromaticContact CD2-CZ2 3.64Å; Y116-W124 HydrophobicContact CD2-CZ2 3.64Å; Y116-W124 AromaticContact CD2-CZ3 3.28Å; Y116-W124 HydrophobicContact CD2-CZ3 3.28Å; Y116-W124 AromaticContact CE1-CE2 3.77Å; Y116-W124 AromaticContact CE1-CH2 3.34Å; Y116-W124 HydrophobicContact CE1-CH2 3.34Å; Y116-W124 AromaticContact CE1-CZ2 2.85Å; Y116-W124 HydrophobicContact CE1-CZ2 2.85Å; Y116-W124 HydrophobicContact CE1-CZ3 4.39Å; Y116-W124 AromaticContact CE2-CH2 2.8Å; Y116-W124 HydrophobicContact CE2-CH2 2.8Å; Y116-W124 AromaticContact CE2-CZ2 3.41Å; Y116-W124 HydrophobicContact CE2-CZ2 3.41Å; Y116-W124 VanDerWaalsContact CE2-CZ2 3.41Å; Y116-W124 AromaticContact CE2-CZ3 3.6Å; Y116-W124 HydrophobicContact CE2-CZ3 3.6Å; Y116-W124 HydrophobicContact CG-CE3 4.21Å; Y116-W124 AromaticContact CG-CH2 3.22Å; Y116-W124 HydrophobicContact CG-CH2 3.22Å; Y116-W124 AromaticContact CG-CZ2 3.42Å; Y116-W124 HydrophobicContact CG-CZ2 3.42Å; Y116-W124 VanDerWaalsContact CG-CZ2 3.42Å; Y116-W124 AromaticContact CG-CZ3 3.49Å; Y116-W124 HydrophobicContact CG-CZ3 3.49Å; Y116-W124 VanDerWaalsContact CG-CZ3 3.49Å; Y116-W124 AromaticContact CZ-CH2 2.93Å; Y116-W124 AromaticContact CZ-CZ2 2.93Å; Y116-W124 WeakPolarHBondContact OH-CH2 3.42Å; Y116-W124 WeakPolarHBondContact OH-CZ2 3.26Å; Y116-E148 PolarHBondContact OH-OE2 3.4Å
117T71.9Confident73.4Confident76 Ų7667.2 Ų67.247%0.46632%0.319SS..  trans-73.2157.8169.761.40000110.7M119 E120 I121T117-M119 PolarHBondContact O-N 2.83Å; T117-M119 VanDerWaalsContact O-N 3.1Å; T117-E120 WeakPolarHBondContact CB-OE2 3.14Å; T117-E120 PolarHBondContact N-OE2 2.84Å; T117-E120 WeakPolarHBondContact O-CB 3.49Å; T117-E120 PolarHBondContact O-N 2.85Å; T117-E120 WeakPolarHBondContact OG1-CG 3.13Å; T117-E120 PolarHBondContact OG1-N 3.34Å; T117-E120 PolarHBondContact OG1-OE2 2.91Å; T117-I121 WeakPolarHBondContact O-CG1 3.31Å; T117-I121 PolarHBondContact O-N 3.43Å
118Q75Confident73Confident59 Ų5968.8 Ų68.828%0.27633%0.329SS..Hα-helixtrans-53.1-34.6173.4-173.364.160.300112.2S101 I121 N122S101-Q118 PolarHBondContact O-NE2 2.97Å; S101-Q118 PolarHBondContact OG-NE2 2.94Å; Q118-I121 PolarHBondContact O-N 3.13Å; Q118-N122 PolarHBondContact NE2-OD1 2.63Å; Q118-N122 WeakPolarHBondContact O-CB 3.38Å; Q118-N122 PolarHBondContact O-N 2.99Å; Q118-N122 PolarHBondContact O-ND2 2.79Å; Q118-N122 PolarHBondContact O-OD1 3.27Å
119M73.1Confident72.7Confident128 Ų12869.3 Ų69.363%0.63133%0.331SS*.Hα-helixtrans-69.4-38.9177.8-177.316557.200112.3T117 K123T117-M119 PolarHBondContact O-N 2.83Å; T117-M119 VanDerWaalsContact O-N 3.1Å; M119-K123 WeakPolarHBondContact O-CG 3.35Å; M119-K123 PolarHBondContact O-N 3.18Å; M119-K123 VanDerWaalsContact O-N 3.08Å
120E73.1Confident72.5Confident76 Ų7672.5 Ų72.536%0.35534%0.344SS..Hα-helixtrans-64.7-48172-72.6166.9119.300110.2Y116 T117 N122 K123 W124Y116-E120 HydrophobicContact CD1-CB 4.24Å; T117-E120 WeakPolarHBondContact CB-OE2 3.14Å; T117-E120 PolarHBondContact N-OE2 2.84Å; T117-E120 WeakPolarHBondContact O-CB 3.49Å; T117-E120 PolarHBondContact O-N 2.85Å; T117-E120 WeakPolarHBondContact OG1-CG 3.13Å; T117-E120 PolarHBondContact OG1-N 3.34Å; T117-E120 PolarHBondContact OG1-OE2 2.91Å; E120-N122 VanDerWaalsContact C-N 3.3Å; E120-N122 PolarHBondContact O-N 3.21Å; E120-K123 CarbonylContact O-C 3.55Å; E120-K123 WeakPolarHBondContact O-CA 3.43Å; E120-K123 WeakPolarHBondContact O-CB 3.49Å; E120-K123 PolarHBondContact O-N 3.45Å; E120-W124 WeakPolarHBondContact O-CB 3.47Å; E120-W124 PolarHBondContact O-N 3.34Å
121I77.5Confident72.5Confident1 Ų170.3 Ų70.31%0.00534%0.337CS..Hα-helixtrans-56.9-42.5176.9-61.6165.8000112I104 C105 L108 T117 Q118 W124 I125I104-I121 HydrophobicContact CB-CG2 4.04Å; I104-I121 HydrophobicContact CG2-CG2 3.88Å; C105-I121 HydrophobicContact CB-CD1 3.65Å; L108-I121 HydrophobicContact CD1-CD1 3.65Å; L108-I121 HydrophobicContact CD1-CG1 3.99Å; T117-I121 WeakPolarHBondContact O-CG1 3.31Å; T117-I121 PolarHBondContact O-N 3.43Å; Q118-I121 PolarHBondContact O-N 3.13Å; I121-W124 HydrophobicContact CB-CE3 4.08Å; I121-W124 HydrophobicContact CG1-CE3 3.73Å; I121-W124 HydrophobicContact CG1-CZ3 4.2Å; I121-W124 HydrophobicContact CG2-CE3 4.46Å; I121-W124 VanDerWaalsContact O-CB 3.28Å; I121-W124 WeakPolarHBondContact O-CB 3.42Å; I121-W124 PolarHBondContact O-N 2.8Å; I121-I125 HydrophobicContact CG2-CD1 3.78Å; I121-I125 WeakPolarHBondContact O-CD1 3.22Å; I121-I125 VanDerWaalsContact O-CG1 3.32Å; I121-I125 WeakPolarHBondContact O-CG1 3.32Å; I121-I125 PolarHBondContact O-N 3.21Å
122N79.6Confident72.6Confident74 Ų7475.1 Ų75.140%0.39636%0.36SS..Hα-helixtrans-63.1-45.4175.9-71.7-9.3000111.7S101 Q118 E120 W124 I125 E126S101-N122 WeakPolarHBondContact CB-OD1 3.24Å; S101-N122 PolarHBondContact OG-OD1 3.42Å; Q118-N122 PolarHBondContact NE2-OD1 2.63Å; Q118-N122 WeakPolarHBondContact O-CB 3.38Å; Q118-N122 PolarHBondContact O-N 2.99Å; Q118-N122 PolarHBondContact O-ND2 2.79Å; Q118-N122 PolarHBondContact O-OD1 3.27Å; E120-N122 VanDerWaalsContact C-N 3.3Å; E120-N122 PolarHBondContact O-N 3.21Å; N122-W124 PolarHBondContact O-N 3.3Å; N122-I125 PolarHBondContact O-N 3.23Å; N122-E126 WeakPolarHBondContact O-CB 3.48Å; N122-E126 PolarHBondContact O-N 2.9Å
123K77.6Confident73.1Confident120 Ų12075.1 Ų75.152%0.52236%0.36SS..Hα-helixtrans-63-29.2175.3-75.1178.4178.31780112.3M119 E120 K127M119-K123 WeakPolarHBondContact O-CG 3.35Å; M119-K123 PolarHBondContact O-N 3.18Å; M119-K123 VanDerWaalsContact O-N 3.08Å; E120-K123 CarbonylContact O-C 3.55Å; E120-K123 WeakPolarHBondContact O-CA 3.43Å; E120-K123 WeakPolarHBondContact O-CB 3.49Å; E120-K123 PolarHBondContact O-N 3.45Å; K123-K127 WeakPolarHBondContact O-CG 3.34Å; K123-K127 PolarHBondContact O-N 3.15Å
124W76.2Confident73.4Confident31 Ų3176.6 Ų76.612%0.11738%0.377CS..Hα-helixtrans-72-43.9176.7-59.7-22.5000112.4L108 Y116 E120 I121 N122 E126 K127 V128 L144 E148L108-W124 HydrophobicContact CD1-CZ3 4.29Å; Y116-W124 AromaticContact CD1-CE2 3.65Å; Y116-W124 AromaticContact CD1-CH2 3.44Å; Y116-W124 HydrophobicContact CD1-CH2 3.44Å; Y116-W124 VanDerWaalsContact CD1-CH2 3.44Å; Y116-W124 AromaticContact CD1-CZ2 3.08Å; Y116-W124 HydrophobicContact CD1-CZ2 3.08Å; Y116-W124 HydrophobicContact CD1-CZ3 4.09Å; Y116-W124 HydrophobicContact CD2-CE3 4.38Å; Y116-W124 AromaticContact CD2-CH2 2.97Å; Y116-W124 HydrophobicContact CD2-CH2 2.97Å; Y116-W124 AromaticContact CD2-CZ2 3.64Å; Y116-W124 HydrophobicContact CD2-CZ2 3.64Å; Y116-W124 AromaticContact CD2-CZ3 3.28Å; Y116-W124 HydrophobicContact CD2-CZ3 3.28Å; Y116-W124 AromaticContact CE1-CE2 3.77Å; Y116-W124 AromaticContact CE1-CH2 3.34Å; Y116-W124 HydrophobicContact CE1-CH2 3.34Å; Y116-W124 AromaticContact CE1-CZ2 2.85Å; Y116-W124 HydrophobicContact CE1-CZ2 2.85Å; Y116-W124 HydrophobicContact CE1-CZ3 4.39Å; Y116-W124 AromaticContact CE2-CH2 2.8Å; Y116-W124 HydrophobicContact CE2-CH2 2.8Å; Y116-W124 AromaticContact CE2-CZ2 3.41Å; Y116-W124 HydrophobicContact CE2-CZ2 3.41Å; Y116-W124 VanDerWaalsContact CE2-CZ2 3.41Å; Y116-W124 AromaticContact CE2-CZ3 3.6Å; Y116-W124 HydrophobicContact CE2-CZ3 3.6Å; Y116-W124 HydrophobicContact CG-CE3 4.21Å; Y116-W124 AromaticContact CG-CH2 3.22Å; Y116-W124 HydrophobicContact CG-CH2 3.22Å; Y116-W124 AromaticContact CG-CZ2 3.42Å; Y116-W124 HydrophobicContact CG-CZ2 3.42Å; Y116-W124 VanDerWaalsContact CG-CZ2 3.42Å; Y116-W124 AromaticContact CG-CZ3 3.49Å; Y116-W124 HydrophobicContact CG-CZ3 3.49Å; Y116-W124 VanDerWaalsContact CG-CZ3 3.49Å; Y116-W124 AromaticContact CZ-CH2 2.93Å; Y116-W124 AromaticContact CZ-CZ2 2.93Å; Y116-W124 WeakPolarHBondContact OH-CH2 3.42Å; Y116-W124 WeakPolarHBondContact OH-CZ2 3.26Å; E120-W124 WeakPolarHBondContact O-CB 3.47Å; E120-W124 PolarHBondContact O-N 3.34Å; I121-W124 HydrophobicContact CB-CE3 4.08Å; I121-W124 HydrophobicContact CG1-CE3 3.73Å; I121-W124 HydrophobicContact CG1-CZ3 4.2Å; I121-W124 HydrophobicContact CG2-CE3 4.46Å; I121-W124 VanDerWaalsContact O-CB 3.28Å; I121-W124 WeakPolarHBondContact O-CB 3.42Å; I121-W124 PolarHBondContact O-N 2.8Å; N122-W124 PolarHBondContact O-N 3.3Å; W124-E126 VanDerWaalsContact C-N 3.34Å; W124-K127 WeakPolarHBondContact O-CB 3.46Å; W124-K127 PolarHBondContact O-N 2.91Å; W124-V128 PolarHBondContact O-N 3.08Å; W124-L144 HydrophobicContact CB-CD1 4.04Å; W124-L144 HydrophobicContact CH2-CD2 4.33Å; W124-E148 VanDerWaalsContact CH2-OE2 3.3Å; W124-E148 WeakPolarHBondContact CH2-OE2 3.37Å; W124-E148 WeakPolarHBondContact CZ2-OE2 3.16Å
125I74.6Confident74.1Confident10 Ų1078.3 Ų78.35%0.05138%0.383CS..Hα-helixtrans-61.5-48.7174.4-68.1159.7000109I104 I121 N122 K127 V128 D129 I136I104-I125 HydrophobicContact CD1-CD1 3.99Å; I104-I125 HydrophobicContact CD1-CG1 4.12Å; I121-I125 HydrophobicContact CG2-CD1 3.78Å; I121-I125 WeakPolarHBondContact O-CD1 3.22Å; I121-I125 VanDerWaalsContact O-CG1 3.32Å; I121-I125 WeakPolarHBondContact O-CG1 3.32Å; I121-I125 PolarHBondContact O-N 3.21Å; N122-I125 PolarHBondContact O-N 3.23Å; I125-K127 PolarHBondContact O-N 2.95Å; I125-V128 PolarHBondContact O-N 2.96Å; I125-D129 HydrophobicContact CG2-CB 3.91Å; I125-D129 WeakPolarHBondContact O-CA 3.31Å; I125-D129 WeakPolarHBondContact O-CB 3.46Å; I125-D129 PolarHBondContact O-N 2.92Å; I125-I136 HydrophobicContact CB-CD1 4.21Å; I125-I136 HydrophobicContact CG1-CD1 3.49Å; I125-I136 VanDerWaalsContact CG1-CD1 3.49Å; I125-I136 HydrophobicContact CG1-CG1 3.97Å; I125-I136 HydrophobicContact CG2-CG1 4.31Å
126E78.8Confident74.9Confident151 Ų15174.5 Ų74.571%0.70637%0.369SS*.Hα-helixtrans-55.8-28.3177.2-162.7-175.2151.300113.8N122 W124N122-E126 WeakPolarHBondContact O-CB 3.48Å; N122-E126 PolarHBondContact O-N 2.9Å; W124-E126 VanDerWaalsContact C-N 3.34Å
127K76.8Confident75.6Confident170 Ų17074 Ų7474%0.73937%0.37SS*.Hα-helixtrans-78.6-31.6176.4-78.1178.8178.7-1780114K123 W124 I125K123-K127 WeakPolarHBondContact O-CG 3.34Å; K123-K127 PolarHBondContact O-N 3.15Å; W124-K127 WeakPolarHBondContact O-CB 3.46Å; W124-K127 PolarHBondContact O-N 2.91Å; I125-K127 PolarHBondContact O-N 2.95Å
128V72.9Confident75.9Confident34 Ų3472.2 Ų72.221%0.20636%0.356CS..Hα-helixtrans-105-27.3-172.7-175.80000112.3W124 I125 K130 I136 E140 L144W124-V128 PolarHBondContact O-N 3.08Å; I125-V128 PolarHBondContact O-N 2.96Å; V128-K130 PolarHBondContact O-N 3.37Å; V128-I136 HydrophobicContact CB-CD1 4.42Å; V128-E140 HydrophobicContact CG1-CB 3.62Å; V128-E140 HydrophobicContact CG1-CG 3.76Å; V128-L144 HydrophobicContact CG2-CD1 3.69Å; V128-L144 HydrophobicContact CG2-CG 4.29Å
129D73.3Confident76.1Confident13 Ų1375.4 Ų75.47%0.0738%0.375CS..  trans-67.773.4175.4-176.88.7000110.9I125 N131 N132 D133 G134I125-D129 HydrophobicContact CG2-CB 3.91Å; I125-D129 WeakPolarHBondContact O-CA 3.31Å; I125-D129 WeakPolarHBondContact O-CB 3.46Å; I125-D129 PolarHBondContact O-N 2.92Å; D129-N131 PolarHBondContact O-N 2.83Å; D129-N131 PolarHBondContact OD1-OD1 3.04Å; D129-N132 VanDerWaalsContact CG-CA 3.49Å; D129-N132 PolarHBondContact O-N 3.06Å; D129-N132 WeakPolarHBondContact OD1-CA 3.23Å; D129-N132 PolarHBondContact OD1-N 3.46Å; D129-N132 WeakPolarHBondContact OD2-CA 3.26Å; D129-D133 PolarHBondContact OD1-N 2.97Å; D129-D133 PolarHBondContact OD2-N 2.98Å; D129-G134 VanDerWaalsContact OD2-CA 3.27Å; D129-G134 WeakPolarHBondContact OD2-CA 3.38Å; D129-G134 PolarHBondContact OD2-N 2.93Å
130K69.3Low76.4Confident185 Ų18571.4 Ų71.480%0.80436%0.355SS*.THydrogen-bonded Turntrans-67.9-26.2-180-72.7-179.3-179.1175.60112.4V128V128-K130 PolarHBondContact O-N 3.37Å
131N72.7Confident76.5Confident92 Ų9268.2 Ų68.249%0.49234%0.34SS..THydrogen-bonded Turntrans-89.7-7.4179.556.7-29000113.2D129 D133D129-N131 PolarHBondContact O-N 2.83Å; D129-N131 PolarHBondContact OD1-OD1 3.04Å; N131-D133 PolarHBondContact ND2-OD2 2.94Å; N131-D133 PolarHBondContact O-N 2.87Å
132N69.7Low76.5Confident132 Ų13269 Ų6971%0.70635%0.345SS*.  trans5338.4-176.2-69.8-86.2000112.5D129 G134D129-N132 VanDerWaalsContact CG-CA 3.49Å; D129-N132 PolarHBondContact O-N 3.06Å; D129-N132 WeakPolarHBondContact OD1-CA 3.23Å; D129-N132 PolarHBondContact OD1-N 3.46Å; D129-N132 WeakPolarHBondContact OD2-CA 3.26Å; N132-G134 VanDerWaalsContact C-N 3.32Å
133D77.1Confident76.2Confident70 Ų7070.8 Ų70.837%0.37435%0.354SS..SBendtrans-88.1-5.9175.575.8-1.3000112.7D129 N131 K135D129-D133 PolarHBondContact OD1-N 2.97Å; D129-D133 PolarHBondContact OD2-N 2.98Å; N131-D133 PolarHBondContact ND2-OD2 2.94Å; N131-D133 PolarHBondContact O-N 2.87Å; D133-K135 PolarHBondContact O-N 2.75Å; D133-K135 WeakPolarHBondContact OD1-CA 3.34Å; D133-K135 WeakPolarHBondContact OD1-CB 3.37Å; D133-K135 PolarHBondContact OD1-N 3.09Å; D133-K135 VanDerWaalsContact OD1-O 3.05Å
134G74.1Confident75.9Confident37 Ų3766.1 Ų66.138%0.38133%0.334SS..SBendtrans73.414.9-178.300000113.5D129 N132D129-G134 VanDerWaalsContact OD2-CA 3.27Å; D129-G134 WeakPolarHBondContact OD2-CA 3.38Å; D129-G134 PolarHBondContact OD2-N 2.93Å; N132-G134 VanDerWaalsContact C-N 3.32Å
135K81.3Confident75.5Confident70 Ų7065 Ų6530%0.30433%0.33SS..EExtended strand (participates in β ladder)trans-129.8158.8-179.6-45.4-171.8176.3-170.40110.6Y98 L99 T100 D133Y98-K135 HydrophobicContact CG-CB 4.47Å; L99-K135 CarbonylContact O-C 3.55Å; L99-K135 WeakPolarHBondContact O-CA 3.33Å; T100-K135 HydrophobicContact CG2-CD 4.47Å; T100-K135 HydrophobicContact CG2-CG 4.13Å; D133-K135 PolarHBondContact O-N 2.75Å; D133-K135 WeakPolarHBondContact OD1-CA 3.34Å; D133-K135 WeakPolarHBondContact OD1-CB 3.37Å; D133-K135 PolarHBondContact OD1-N 3.09Å; D133-K135 VanDerWaalsContact OD1-O 3.05Å
136I80.2Confident75.2Confident2 Ų268.5 Ų68.51%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-122.8129.1177.4-79.5-171.5000108.7Y98 L99 I104 I125 V128 E140 F141Y98-I136 CarbonylContact C-O 3.54Å; Y98-I136 VanDerWaalsContact CA-O 3.28Å; Y98-I136 WeakPolarHBondContact CA-O 3.27Å; L99-I136 PolarHBondContact N-O 3.09Å; L99-I136 PolarHBondContact O-N 3.4Å; I104-I136 HydrophobicContact CD1-CB 3.99Å; I104-I136 HydrophobicContact CD1-CD1 3.92Å; I104-I136 HydrophobicContact CD1-CG1 4.31Å; I104-I136 HydrophobicContact CD1-CG2 4.33Å; I125-I136 HydrophobicContact CB-CD1 4.21Å; I125-I136 HydrophobicContact CG1-CD1 3.49Å; I125-I136 VanDerWaalsContact CG1-CD1 3.49Å; I125-I136 HydrophobicContact CG1-CG1 3.97Å; I125-I136 HydrophobicContact CG2-CG1 4.31Å; V128-I136 HydrophobicContact CB-CD1 4.42Å; I136-E140 HydrophobicContact CG2-CB 3.82Å; I136-F141 HydrophobicContact CG2-CB 3.7Å
137S82.5Confident74.4Confident23 Ų2366.4 Ų66.416%0.16134%0.343CS..EExtended strand (participates in β ladder)trans-72.6158.4170.463.70000111.9G97 D139 E140 F141G97-S137 WeakPolarHBondContact O-CA 3.33Å; S137-D139 VanDerWaalsContact C-N 3.26Å; S137-D139 PolarHBondContact O-N 2.73Å; S137-E140 WeakPolarHBondContact CB-OE2 2.99Å; S137-E140 PolarHBondContact N-OE2 3.01Å; S137-E140 PolarHBondContact O-N 2.94Å; S137-E140 VanDerWaalsContact O-N 3.12Å; S137-E140 VanDerWaalsContact OG-CD 3.26Å; S137-E140 WeakPolarHBondContact OG-CG 3.28Å; S137-E140 PolarHBondContact OG-N 3.23Å; S137-E140 PolarHBondContact OG-OE2 3.18Å; S137-F141 PolarHBondContact O-N 3.33Å
138F79.3Confident73.5Confident39 Ų3961.8 Ų61.817%0.17132%0.324CS..Hα-helixtrans-54.9-41.4177.1-180-105.8000113I81 W84 K85 F88 E140 F141 V142I81-F138 HydrophobicContact CG2-CE1 3.98Å; I81-F138 HydrophobicContact CG2-CZ 3.68Å; W84-F138 HydrophobicContact CB-CE2 4.39Å; K85-F138 VanDerWaalsContact CA-CE2 3.42Å; K85-F138 HydrophobicContact CB-CE1 4.36Å; K85-F138 HydrophobicContact CB-CE2 3.77Å; K85-F138 HydrophobicContact CB-CZ 3.54Å; K85-F138 HydrophobicContact CD-CE1 4.38Å; K85-F138 HydrophobicContact CD-CZ 4.35Å; K85-F138 HydrophobicContact CG-CE1 4.34Å; K85-F138 HydrophobicContact CG-CE2 4.17Å; K85-F138 HydrophobicContact CG-CZ 3.94Å; F88-F138 HydrophobicContact CB-CD2 3.87Å; F88-F138 HydrophobicContact CB-CE2 4.19Å; F88-F138 HydrophobicContact CD1-CB 4.37Å; F88-F138 HydrophobicContact CD1-CD2 4.22Å; F88-F138 HydrophobicContact CD2-CB 4.26Å; F88-F138 AromaticContact CD2-CD2 3.67Å; F88-F138 HydrophobicContact CD2-CD2 3.67Å; F88-F138 HydrophobicContact CD2-CG 4.47Å; F88-F138 HydrophobicContact CE1-CB 4.12Å; F88-F138 HydrophobicContact CE2-CB 3.95Å; F88-F138 HydrophobicContact CE2-CD2 4.21Å; F88-F138 HydrophobicContact CG-CB 4.45Å; F88-F138 AromaticContact CG-CD2 3.66Å; F88-F138 HydrophobicContact CG-CD2 3.66Å; F88-F138 HydrophobicContact CG-CE2 4.46Å; F88-F138 HydrophobicContact CG-CG 4.49Å; F88-F138 HydrophobicContact CZ-CB 3.89Å; F138-E140 PolarHBondContact O-N 3.42Å; F138-F141 PolarHBondContact O-N 2.85Å; F138-V142 HydrophobicContact CD1-CG2 4.19Å; F138-V142 HydrophobicContact CD2-CG2 4.21Å; F138-V142 HydrophobicContact CE1-CG2 3.69Å; F138-V142 HydrophobicContact CE2-CG2 3.7Å; F138-V142 HydrophobicContact CG-CG2 4.44Å; F138-V142 HydrophobicContact CZ-CG2 3.42Å; F138-V142 VanDerWaalsContact CZ-CG2 3.42Å; F138-V142 WeakPolarHBondContact O-CG2 3.32Å; F138-V142 PolarHBondContact O-N 3.27Å
139D78.4Confident72.5Confident125 Ų12563.7 Ų63.767%0.66833%0.332SS*.Hα-helixtrans-60.5-44.4177.1-78.8-87.9000111.8S137 V142 L143S137-D139 VanDerWaalsContact C-N 3.26Å; S137-D139 PolarHBondContact O-N 2.73Å; D139-V142 PolarHBondContact O-N 2.96Å; D139-L143 WeakPolarHBondContact O-CB 3.39Å; D139-L143 PolarHBondContact O-N 3.4Å
140E79Confident71Confident45 Ų4569.9 Ų69.921%0.2136%0.361CS..Hα-helixtrans-65.1-40.9176.6-77.8165152.100112.4V128 I136 S137 F138 L143 L144V128-E140 HydrophobicContact CG1-CB 3.62Å; V128-E140 HydrophobicContact CG1-CG 3.76Å; I136-E140 HydrophobicContact CG2-CB 3.82Å; S137-E140 WeakPolarHBondContact CB-OE2 2.99Å; S137-E140 PolarHBondContact N-OE2 3.01Å; S137-E140 PolarHBondContact O-N 2.94Å; S137-E140 VanDerWaalsContact O-N 3.12Å; S137-E140 VanDerWaalsContact OG-CD 3.26Å; S137-E140 WeakPolarHBondContact OG-CG 3.28Å; S137-E140 PolarHBondContact OG-N 3.23Å; S137-E140 PolarHBondContact OG-OE2 3.18Å; F138-E140 PolarHBondContact O-N 3.42Å; E140-L143 PolarHBondContact O-N 3.15Å; E140-L144 WeakPolarHBondContact O-CB 3.31Å; E140-L144 PolarHBondContact O-N 3.12Å
141F76.7Confident69.7Low8 Ų868.9 Ų68.94%0.03536%0.359CS..Hα-helixtrans-60.5-46.8175.3178.2-109.4000111.6W84 F88 I104 L107 I136 S137 F138 L144 L145W84-F141 HydrophobicContact CB-CE1 4.16Å; W84-F141 AromaticContact CD2-CE1 3.92Å; W84-F141 HydrophobicContact CD2-CE1 3.92Å; W84-F141 HydrophobicContact CD2-CZ 4.27Å; W84-F141 AromaticContact CE3-CE1 3.55Å; W84-F141 HydrophobicContact CE3-CE1 3.55Å; W84-F141 AromaticContact CE3-CZ 3.61Å; W84-F141 HydrophobicContact CE3-CZ 3.61Å; W84-F141 HydrophobicContact CG-CE1 4.22Å; W84-F141 HydrophobicContact CH2-CZ 4.5Å; W84-F141 HydrophobicContact CZ3-CE1 4.2Å; W84-F141 AromaticContact CZ3-CZ 3.76Å; W84-F141 HydrophobicContact CZ3-CZ 3.76Å; F88-F141 HydrophobicContact CD2-CD1 4.42Å; I104-F141 HydrophobicContact CG2-CE2 4.24Å; L107-F141 HydrophobicContact CD1-CZ 4.46Å; L107-F141 HydrophobicContact CD2-CE1 4.27Å; L107-F141 HydrophobicContact CD2-CZ 3.71Å; I136-F141 HydrophobicContact CG2-CB 3.7Å; S137-F141 PolarHBondContact O-N 3.33Å; F138-F141 PolarHBondContact O-N 2.85Å; F141-L144 PolarHBondContact O-N 2.88Å; F141-L145 HydrophobicContact CD1-CD1 3.75Å; F141-L145 HydrophobicContact CE1-CD1 3.27Å; F141-L145 HydrophobicContact CE1-CG 4.28Å; F141-L145 HydrophobicContact CE2-CD1 4.14Å; F141-L145 HydrophobicContact CE2-CG 4.35Å; F141-L145 HydrophobicContact CG-CD1 4.37Å; F141-L145 HydrophobicContact CZ-CD1 3.49Å; F141-L145 VanDerWaalsContact CZ-CD1 3.49Å; F141-L145 HydrophobicContact CZ-CD2 4.46Å; F141-L145 HydrophobicContact CZ-CG 4.14Å; F141-L145 WeakPolarHBondContact O-CG 3.14Å; F141-L145 PolarHBondContact O-N 3.2Å
142V76.4Confident68Low19 Ų1969.9 Ų69.912%0.11537%0.37CS..Hα-helixtrans-66.9-39.4178.1172.80000111.5I81 F138 D139 L144 L145 N146I81-V142 HydrophobicContact CD1-CG1 4.14Å; I81-V142 HydrophobicContact CG1-CG1 4.17Å; I81-V142 HydrophobicContact CG2-CG1 4.47Å; I81-V142 HydrophobicContact CG2-CG2 4.16Å; F138-V142 HydrophobicContact CD1-CG2 4.19Å; F138-V142 HydrophobicContact CD2-CG2 4.21Å; F138-V142 HydrophobicContact CE1-CG2 3.69Å; F138-V142 HydrophobicContact CE2-CG2 3.7Å; F138-V142 HydrophobicContact CG-CG2 4.44Å; F138-V142 HydrophobicContact CZ-CG2 3.42Å; F138-V142 VanDerWaalsContact CZ-CG2 3.42Å; F138-V142 WeakPolarHBondContact O-CG2 3.32Å; F138-V142 PolarHBondContact O-N 3.27Å; D139-V142 PolarHBondContact O-N 2.96Å; V142-L144 VanDerWaalsContact C-N 3.3Å; V142-L144 PolarHBondContact O-N 3.33Å; V142-L145 PolarHBondContact O-N 2.8Å; V142-N146 WeakPolarHBondContact O-CB 3.31Å; V142-N146 PolarHBondContact O-N 3.16Å; V142-N146 PolarHBondContact O-ND2 3.27Å
143L73.8Confident66.7Low111 Ų11169.5 Ų69.558%0.58137%0.367SS*.Hα-helixtrans-66.5-36.1179-152152.6000110.9D139 E140 N147D139-L143 WeakPolarHBondContact O-CB 3.39Å; D139-L143 PolarHBondContact O-N 3.4Å; E140-L143 PolarHBondContact O-N 3.15Å; L143-N147 WeakPolarHBondContact CD2-ND2 3.23Å; L143-N147 WeakPolarHBondContact O-CB 3.45Å; L143-N147 PolarHBondContact O-N 2.97Å; L143-N147 PolarHBondContact O-ND2 2.9Å
144L70.5Confident64.9Low22 Ų2272.8 Ų72.812%0.11539%0.39CS..Hα-helixtrans-66.6-50.3172.2-166.1162.7000111.3W124 V128 E140 F141 V142 N146 N147 E148W124-L144 HydrophobicContact CB-CD1 4.04Å; W124-L144 HydrophobicContact CH2-CD2 4.33Å; V128-L144 HydrophobicContact CG2-CD1 3.69Å; V128-L144 HydrophobicContact CG2-CG 4.29Å; E140-L144 WeakPolarHBondContact O-CB 3.31Å; E140-L144 PolarHBondContact O-N 3.12Å; F141-L144 PolarHBondContact O-N 2.88Å; V142-L144 VanDerWaalsContact C-N 3.3Å; V142-L144 PolarHBondContact O-N 3.33Å; L144-N146 VanDerWaalsContact C-N 3.28Å; L144-N146 PolarHBondContact O-N 2.78Å; L144-N147 PolarHBondContact O-N 2.87Å; L144-N147 VanDerWaalsContact O-N 3.12Å; L144-E148 HydrophobicContact CD2-CG 4.19Å; L144-E148 PolarHBondContact O-N 3.44Å
145L69.4Low62.9Low6 Ų679 Ų793%0.03141%0.409CS..Hα-helixtrans-56.2-44.5177.2-75.7170.7000111.2W84 F141 V142 E148 I149W84-L145 HydrophobicContact CD2-CD1 3.44Å; W84-L145 VanDerWaalsContact CD2-CD1 3.44Å; W84-L145 HydrophobicContact CE3-CD1 3.99Å; W84-L145 HydrophobicContact CG-CD1 3.71Å; W84-L145 HydrophobicContact CH2-CD1 4.27Å; W84-L145 HydrophobicContact CH2-CD2 4.06Å; W84-L145 HydrophobicContact CZ2-CD1 3.75Å; W84-L145 HydrophobicContact CZ2-CD2 3.7Å; W84-L145 HydrophobicContact CZ2-CG 4.37Å; W84-L145 HydrophobicContact CZ3-CD1 4.39Å; F141-L145 HydrophobicContact CD1-CD1 3.75Å; F141-L145 HydrophobicContact CE1-CD1 3.27Å; F141-L145 HydrophobicContact CE1-CG 4.28Å; F141-L145 HydrophobicContact CE2-CD1 4.14Å; F141-L145 HydrophobicContact CE2-CG 4.35Å; F141-L145 HydrophobicContact CG-CD1 4.37Å; F141-L145 HydrophobicContact CZ-CD1 3.49Å; F141-L145 VanDerWaalsContact CZ-CD1 3.49Å; F141-L145 HydrophobicContact CZ-CD2 4.46Å; F141-L145 HydrophobicContact CZ-CG 4.14Å; F141-L145 WeakPolarHBondContact O-CG 3.14Å; F141-L145 PolarHBondContact O-N 3.2Å; V142-L145 PolarHBondContact O-N 2.8Å; L145-E148 PolarHBondContact O-N 2.81Å; L145-I149 HydrophobicContact CB-CD1 4.33Å; L145-I149 VanDerWaalsContact O-CB 3.31Å; L145-I149 WeakPolarHBondContact O-CB 3.4Å; L145-I149 WeakPolarHBondContact O-CD1 3.46Å; L145-I149 WeakPolarHBondContact O-CG1 3.26Å; L145-I149 PolarHBondContact O-N 3.4Å
146N67.3Low60.7Low85 Ų8586.5 Ų86.546%0.45545%0.452SS..Hα-helixtrans-64.5-42.9176.3-78.1-40.8000112.5V142 L144 E148 I149 E150V142-N146 WeakPolarHBondContact O-CB 3.31Å; V142-N146 PolarHBondContact O-N 3.16Å; V142-N146 PolarHBondContact O-ND2 3.27Å; L144-N146 VanDerWaalsContact C-N 3.28Å; L144-N146 PolarHBondContact O-N 2.78Å; N146-E148 VanDerWaalsContact C-N 3.27Å; N146-E148 PolarHBondContact O-N 3.42Å; N146-I149 PolarHBondContact O-N 3.21Å; N146-E150 PolarHBondContact O-N 2.88Å; N146-E150 VanDerWaalsContact O-N 3.15Å
147N62.7Low59.8Low106 Ų10690.8 Ų90.857%0.56747%0.474SS*.Hα-helixtrans-64.5-28.5177.7-93.4-45.5000113.5L143 L144L143-N147 WeakPolarHBondContact CD2-ND2 3.23Å; L143-N147 WeakPolarHBondContact O-CB 3.45Å; L143-N147 PolarHBondContact O-N 2.97Å; L143-N147 PolarHBondContact O-ND2 2.9Å; L144-N147 PolarHBondContact O-N 2.87Å; L144-N147 VanDerWaalsContact O-N 3.12Å
148E56.7Low58.6Low73 Ų7394.3 Ų94.334%0.34149%0.491SS..Hα-helixtrans-93.8-15.9176-71-153.213600114.2R115 Y116 W124 L144 L145 N146 E150R115-E148 IonicContact NH2-OE2 3.13Å; Y116-E148 PolarHBondContact OH-OE2 3.4Å; W124-E148 VanDerWaalsContact CH2-OE2 3.3Å; W124-E148 WeakPolarHBondContact CH2-OE2 3.37Å; W124-E148 WeakPolarHBondContact CZ2-OE2 3.16Å; L144-E148 HydrophobicContact CD2-CG 4.19Å; L144-E148 PolarHBondContact O-N 3.44Å; L145-E148 PolarHBondContact O-N 2.81Å; N146-E148 VanDerWaalsContact C-N 3.27Å; N146-E148 PolarHBondContact O-N 3.42Å; E148-E150 VanDerWaalsContact C-N 3.3Å
149I52Low57.4Low75 Ų7597.4 Ų97.439%0.38551%0.508SS..Hα-helixtrans-77.3-21.9169.5-68161.5000110.4P77 L145 N146 E151P77-I149 HydrophobicContact CB-CD1 4.32Å; P77-I149 HydrophobicContact CG-CD1 4.22Å; P77-I149 HydrophobicContact CG-CG1 4.08Å; L145-I149 HydrophobicContact CB-CD1 4.33Å; L145-I149 VanDerWaalsContact O-CB 3.31Å; L145-I149 WeakPolarHBondContact O-CB 3.4Å; L145-I149 WeakPolarHBondContact O-CD1 3.46Å; L145-I149 WeakPolarHBondContact O-CG1 3.26Å; L145-I149 PolarHBondContact O-N 3.4Å; N146-I149 PolarHBondContact O-N 3.21Å; I149-E151 PolarHBondContact O-N 2.73Å
150E42.1Very low56.2Low142 Ų14295.8 Ų95.866%0.66450%0.499SS*.SBendtrans-71.374.9163.4-61.8-135112.200109.4N146 E148N146-E150 PolarHBondContact O-N 2.88Å; N146-E150 VanDerWaalsContact O-N 3.15Å; E148-E150 VanDerWaalsContact C-N 3.3Å
151E41.4Very low54.8Low164 Ų16498.9 Ų98.977%0.76652%0.517SS*.  trans-44.8137.2155.5-76.7-167.571.800107.7I149 I153I149-E151 PolarHBondContact O-N 2.73Å; E151-I153 PolarHBondContact O-N 3.24Å
152P37.7Very low53.3Low113 Ų113105 Ų10573%0.73455%0.549SS*.  trans-57.7108.8178.924-31.1000106.9V154P152-V154 VanDerWaalsContact C-N 3.3Å; P152-V154 PolarHBondContact O-N 2.7Å
153I41.4Very low51.6Low124 Ų124111.1 Ų111.164%0.63658%0.58SS**  trans-51.7109.2163.6-27.2173000102.9E151 E155E151-I153 PolarHBondContact O-N 3.24Å; I153-E155 HydrophobicContact CB-CG 4.44Å; I153-E155 HydrophobicContact CG2-CG 4.36Å; I153-E155 PolarHBondContact O-N 2.76Å
154V39.5Very low49.9Very low140 Ų140111.2 Ų111.285%0.84858%0.58SS**  trans-66.779.5171.1-79.50000106.1P152 N156P152-V154 VanDerWaalsContact C-N 3.3Å; P152-V154 PolarHBondContact O-N 2.7Å; V154-N156 VanDerWaalsContact C-N 3.32Å; V154-N156 PolarHBondContact O-N 2.79Å; V154-N156 VanDerWaalsContact O-N 3.1Å
155E33Very low48.2Very low168 Ų168118.6 Ų118.679%0.78562%0.619SS**  trans-76.395.3166.6-81-170.37400107.6I153I153-E155 HydrophobicContact CB-CG 4.44Å; I153-E155 HydrophobicContact CG2-CG 4.36Å; I153-E155 PolarHBondContact O-N 2.76Å
156N35.6Very low46.3Very low227 Ų227128.8 Ų128.8100%1.21467%0.672SS**  trans84.10145.7-155.188.9000119.3V154V154-N156 VanDerWaalsContact C-N 3.32Å; V154-N156 PolarHBondContact O-N 2.79Å; V154-N156 VanDerWaalsContact O-N 3.1Å

Retrieved 156 of 156 residues in 85 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).