G4VCZ9_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession G4VCZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 185 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.2Low59.5Low238 Ų238156 Ų156100%1.17280%0.8SS**  095.80-77.9153.5177.200105.2
2N49.7Very low59.5Low158 Ų158153.3 Ų153.385%0.84580%0.8SS**  trans-101.1121.9-162.8-55.1-2.3000107.9
3N58.7Low59.6Low141 Ų141149.8 Ų149.875%0.75478%0.777SS**  trans-144.176.5163-176.713.7000107.5T5N3-T5 PolarHBondContact O-N 2.67Å
4E60.4Low59.6Low189 Ų189144.3 Ų144.388%0.88375%0.75SS**  trans-85.397167.3-81.3175.995.200107.9S6E4-S6 PolarHBondContact O-N 2.8Å
5T65.1Low60.4Low109 Ų109147.9 Ų147.967%0.66976%0.757SS**  trans-63.1115.816333.70000108.9N3 E7N3-T5 PolarHBondContact O-N 2.67Å; T5-E7 PolarHBondContact O-N 2.98Å
6S62.5Low61.4Low108 Ų108144.4 Ų144.476%0.75574%0.741SS**  trans-61.8102.3173.441.90000110.8E4 L8E4-S6 PolarHBondContact O-N 2.8Å; S6-L8 PolarHBondContact O-N 2.93Å
7E57.5Low63.1Low178 Ų178141.6 Ų141.683%0.83273%0.725SS**  trans-65.394.4171.2-67.3-176.2125.100109.6T5 E9T5-E7 PolarHBondContact O-N 2.98Å; E7-E9 PolarHBondContact O-N 3.26Å; E7-E9 VanDerWaalsContact O-N 3.14Å
8L65.6Low64.8Low133 Ų133133.9 Ų133.970%0.69669%0.686SS**  trans-76.696.2163.7-69.7174.7000108S6 N10S6-L8 PolarHBondContact O-N 2.93Å; L8-N10 PolarHBondContact O-N 3.03Å
9E57.3Low66.2Low186 Ų186134.3 Ų134.387%0.86968%0.682SS**  trans-46.9102.6169.6-72.5-179.5107.600110.8E7 K11E7-E9 PolarHBondContact O-N 3.26Å; E7-E9 VanDerWaalsContact O-N 3.14Å; E9-K11 VanDerWaalsContact C-N 3.28Å; E9-K11 PolarHBondContact O-N 3.45Å; E9-K11 VanDerWaalsContact O-N 3.09Å
10N61.4Low67.4Low124 Ų124133.2 Ų133.266%0.66367%0.669SS**  trans-81.681.2166.1-76.8-66.3000108.2L8L8-N10 PolarHBondContact O-N 3.03Å
11K61.6Low68.4Low152 Ų152130 Ų13066%0.66167%0.669SS**  trans-58.8134.7169-164.4168.4-178.5-179.50109E9 E13E9-K11 VanDerWaalsContact C-N 3.28Å; E9-K11 PolarHBondContact O-N 3.45Å; E9-K11 VanDerWaalsContact O-N 3.09Å; K11-E13 HydrophobicContact CB-CG 4.32Å; K11-E13 HydrophobicContact CD-CG 4.45Å; K11-E13 HydrophobicContact CG-CG 4.17Å; K11-E13 PolarHBondContact O-N 3.45Å
12P58.7Low70.2Confident123 Ų123121.7 Ų121.780%0.79963%0.634SS**  trans-76.268.4-176.331.5-35.4000111.1N14P12-N14 VanDerWaalsContact C-N 3.26Å; P12-N14 PolarHBondContact O-N 3.32Å
13E61Low72.1Confident108 Ų108117 Ų11751%0.50562%0.624SS.*  trans-88.657.2175.2-62.6-172.4-179.400110.5K11K11-E13 HydrophobicContact CB-CG 4.32Å; K11-E13 HydrophobicContact CD-CG 4.45Å; K11-E13 HydrophobicContact CG-CG 4.17Å; K11-E13 PolarHBondContact O-N 3.45Å
14N60.1Low73.7Confident73 Ų73116.2 Ų116.239%0.3961%0.613SS.*  trans-136.860.1179.5-61.8-54.9000111.2P12 G26 S27P12-N14 VanDerWaalsContact C-N 3.26Å; P12-N14 PolarHBondContact O-N 3.32Å; N14-G26 PolarHBondContact OD1-O 3.39Å; N14-S27 WeakPolarHBondContact OD1-CA 3.18Å; N14-S27 WeakPolarHBondContact OD1-CB 3.43Å; N14-S27 PolarHBondContact OD1-OG 2.88Å; N14-S27 VanDerWaalsContact OD1-OG 3.08Å
15K70.9Confident75.2Confident198 Ų198113.5 Ų113.586%0.86160%0.596SS**  trans-92.4-2.4161.3-90.3-177.2-179.9177.60113
16N77.1Confident76.5Confident93 Ų93108.3 Ų108.350%0.49757%0.565SS.*PPolyproline II helixtrans-90.8130-175.5-63.1-10.6000111.1G26N16-G26 PolarHBondContact O-N 3.23Å
17M90.5Very high77.9Confident96 Ų96104.7 Ų104.747%0.47354%0.539SS..BIsolated β-bridgetrans-69.5149.8169.1-72.6-86.89700109.7K19 Y25M17-K19 PolarHBondContact O-N 3.19Å; M17-Y25 HydrophobicContact CE-CD1 3.6Å; M17-Y25 HydrophobicContact CE-CD2 4.34Å; M17-Y25 HydrophobicContact CE-CE1 3.58Å; M17-Y25 HydrophobicContact CE-CE2 4.31Å; M17-Y25 HydrophobicContact CE-CG 3.99Å
18C93.8Very high79.4Confident3 Ų3100.1 Ų100.12%0.0252%0.523CS..PPolyproline II helixtrans-52.9127.9176.8171.20000110.3R20 G21 C22 F24 D32 C34C18-R20 PolarHBondContact O-N 3.39Å; C18-G21 PolarHBondContact O-N 3.24Å; C18-C22 VanDerWaalsContact CB-SG 3.52Å; C18-F24 WeakPolarHBondContact CB-O 3.48Å; C18-F24 PolarHBondContact N-O 3.18Å; C18-D32 WeakPolarHBondContact CA-O 3.46Å; C18-C34 HydrophobicContact CB-CB 4.13Å; C18-C34 PolarHBondContact SG-N 3.34Å
19K91.7Very high80.5Confident141 Ų141101.8 Ų101.861%0.61352%0.52SS*.THydrogen-bonded Turntrans-52.2-26.5-179.9-79.2-179.6179.7148.10114.8M17 G21 K31 D32 M33M17-K19 PolarHBondContact O-N 3.19Å; K19-G21 VanDerWaalsContact C-N 3.28Å; K19-G21 PolarHBondContact O-N 3.08Å; K19-K31 WeakPolarHBondContact CD-O 3.47Å; K19-K31 PolarHBondContact NZ-O 2.96Å; K19-D32 HydrophobicContact CD-CB 3.88Å; K19-D32 WeakPolarHBondContact CE-OD2 3.13Å; K19-D32 HydrophobicContact CG-CB 3.89Å; K19-D32 PolarHBondContact N-O 3.44Å; K19-D32 IonicContact NZ-OD2 3.14Å; K19-D32 PolarHBondContact NZ-OD2 3.43Å; K19-M33 HydrophobicContact CB-CG 4.24Å
20R89Confident82Confident113 Ų11396.6 Ų96.643%0.42650%0.495SS..THydrogen-bonded Turntrans-79.21.2174.2-70.9-164179.3-151-5.4115.1C18 C22 M33 C37 E40C18-R20 PolarHBondContact O-N 3.39Å; R20-C22 VanDerWaalsContact C-N 3.3Å; R20-C22 PolarHBondContact O-N 3.19Å; R20-M33 HydrophobicContact CG-CE 3.88Å; R20-M33 VanDerWaalsContact NE-CE 3.32Å; R20-C37 HydrophobicContact CB-CB 4.29Å; R20-C37 HydrophobicContact CG-CB 4.26Å; R20-E40 IonicContact NH1-OE2 3.55Å
21G89Confident83.4Confident65 Ų6596.1 Ų96.167%0.6749%0.487SS*.  trans69.720.3177.600000115.1C18 K19 G23C18-G21 PolarHBondContact O-N 3.24Å; K19-G21 VanDerWaalsContact C-N 3.28Å; K19-G21 PolarHBondContact O-N 3.08Å; G21-G23 PolarHBondContact O-N 2.94Å; G21-G23 VanDerWaalsContact O-N 3.13Å
22C92.3Very high84.8Confident65 Ų6590.6 Ų90.644%0.43947%0.465SS..  trans-74.72.1-176.470.90000114.9C18 R20 F24 C34 C37C18-C22 VanDerWaalsContact CB-SG 3.52Å; R20-C22 VanDerWaalsContact C-N 3.3Å; R20-C22 PolarHBondContact O-N 3.19Å; C22-F24 VanDerWaalsContact C-N 3.29Å; C22-F24 PolarHBondContact O-N 3.39Å; C22-C34 PolarHBondContact SG-SG 3.23Å; C22-C37 VanDerWaalsContact SG-SG 3.66Å
23G90.1Very high86.5Confident60 Ų6085.1 Ų85.162%0.61943%0.428SS*.SBendtrans75.58.8-179.500000115.2G21G21-G23 PolarHBondContact O-N 2.94Å; G21-G23 VanDerWaalsContact O-N 3.13Å
24F91.6Very high88Confident123 Ų12380.3 Ų80.354%0.53941%0.407SS..SBendtrans-107.4158.4172.7-159.5-98.3000111C18 C22 C34C18-F24 WeakPolarHBondContact CB-O 3.48Å; C18-F24 PolarHBondContact N-O 3.18Å; C22-F24 VanDerWaalsContact C-N 3.29Å; C22-F24 PolarHBondContact O-N 3.39Å; F24-C34 HydrophobicContact CB-CB 3.96Å; F24-C34 HydrophobicContact CD1-CB 3.59Å; F24-C34 HydrophobicContact CG-CB 4.19Å
25Y93.2Very high89.5Confident132 Ų13279.5 Ų79.552%0.51841%0.407SS..BIsolated β-bridgetrans-68.2136177.8-62.5-83.4000111.5M17M17-Y25 HydrophobicContact CE-CD1 3.6Å; M17-Y25 HydrophobicContact CE-CD2 4.34Å; M17-Y25 HydrophobicContact CE-CE1 3.58Å; M17-Y25 HydrophobicContact CE-CE2 4.31Å; M17-Y25 HydrophobicContact CE-CG 3.99Å
26G92.1Very high90.6Very high1 Ų177.3 Ų77.31%0.0140%0.397CS..  trans-90.6150.8170.200000110.3N14 N16N14-G26 PolarHBondContact OD1-O 3.39Å; N16-G26 PolarHBondContact O-N 3.23Å
27S90.6Very high91.4Very high31 Ų3173.3 Ų73.322%0.21738%0.376CS..BIsolated β-bridgetrans-119.6146.9171.8-60.20000110.7N14 R29 F30 D32 M33N14-S27 WeakPolarHBondContact OD1-CA 3.18Å; N14-S27 WeakPolarHBondContact OD1-CB 3.43Å; N14-S27 PolarHBondContact OD1-OG 2.88Å; N14-S27 VanDerWaalsContact OD1-OG 3.08Å; S27-R29 PolarHBondContact O-N 3.25Å; S27-F30 CarbonylContact O-C 3.44Å; S27-F30 WeakPolarHBondContact O-CA 3.34Å; S27-F30 PolarHBondContact O-N 2.91Å; S27-D32 WeakPolarHBondContact O-CA 3.48Å; S27-D32 PolarHBondContact O-N 2.89Å; S27-M33 PolarHBondContact N-O 3.24Å
28V89.1Confident91.6Very high83 Ų8371.4 Ų71.450%0.50337%0.365SS..G310 helixtrans-56-33.8177.4-63.20000112.4F30 K31V28-F30 PolarHBondContact O-N 3.4Å; V28-K31 PolarHBondContact O-N 2.8Å
29R88.5Confident91.6Very high168 Ų16876.6 Ų76.663%0.63439%0.388SS*.G310 helixtrans-60.9-27.5174.3-70.4-170.6173.1170.92113.9S27S27-R29 PolarHBondContact O-N 3.25Å
30F89.9Confident91.7Very high77 Ų7774.5 Ų74.534%0.33838%0.381SS..G310 helixtrans-109.731.5-178.5-58.6-52.6000111.2S27 V28 D32 M33 Y38S27-F30 CarbonylContact O-C 3.44Å; S27-F30 WeakPolarHBondContact O-CA 3.34Å; S27-F30 PolarHBondContact O-N 2.91Å; V28-F30 PolarHBondContact O-N 3.4Å; F30-D32 VanDerWaalsContact C-N 3.28Å; F30-D32 PolarHBondContact O-N 3.13Å; F30-M33 VanDerWaalsContact CB-O 3.26Å; F30-M33 WeakPolarHBondContact CB-O 3.26Å; F30-M33 VanDerWaalsContact O-CB 3.23Å; F30-M33 WeakPolarHBondContact O-CB 3.41Å; F30-M33 PolarHBondContact O-N 3.48Å; F30-Y38 HydrophobicContact CB-CD1 4.26Å; F30-Y38 HydrophobicContact CB-CD2 4.01Å; F30-Y38 HydrophobicContact CB-CG 3.8Å; F30-Y38 AromaticContact CD1-CD1 3.52Å; F30-Y38 HydrophobicContact CD1-CD1 3.52Å; F30-Y38 AromaticContact CD1-CE1 3.87Å; F30-Y38 HydrophobicContact CD1-CE1 3.87Å; F30-Y38 AromaticContact CD1-CG 3.97Å; F30-Y38 HydrophobicContact CD1-CG 3.97Å; F30-Y38 HydrophobicContact CE1-CD1 4.32Å; F30-Y38 HydrophobicContact CG-CD1 4.26Å; F30-Y38 HydrophobicContact CG-CG 4.26Å; F30-Y38 VanDerWaalsContact O-CD2 3.3Å; F30-Y38 WeakPolarHBondContact O-CD2 3.33Å
31K91.4Very high91.8Very high113 Ų11371.4 Ų71.449%0.49137%0.371SS..THydrogen-bonded Turntrans55.836.2-177.2-58.5179-178.8177.20113.7K19 V28 M33 Y38K19-K31 WeakPolarHBondContact CD-O 3.47Å; K19-K31 PolarHBondContact NZ-O 2.96Å; V28-K31 PolarHBondContact O-N 2.8Å; K31-M33 VanDerWaalsContact C-N 3.26Å; K31-M33 PolarHBondContact O-N 3.29Å; K31-Y38 HydrophobicContact CD-CE2 4.16Å; K31-Y38 HydrophobicContact CG-CE2 4.09Å
32D91.3Very high91.9Very high36 Ų3672.1 Ų72.119%0.19336%0.359CS..THydrogen-bonded Turntrans61.428.4-172.1-51.2-62.6000114.2C18 K19 S27 F30C18-D32 WeakPolarHBondContact CA-O 3.46Å; K19-D32 HydrophobicContact CD-CB 3.88Å; K19-D32 WeakPolarHBondContact CE-OD2 3.13Å; K19-D32 HydrophobicContact CG-CB 3.89Å; K19-D32 PolarHBondContact N-O 3.44Å; K19-D32 IonicContact NZ-OD2 3.14Å; K19-D32 PolarHBondContact NZ-OD2 3.43Å; S27-D32 WeakPolarHBondContact O-CA 3.48Å; S27-D32 PolarHBondContact O-N 2.89Å; F30-D32 VanDerWaalsContact C-N 3.28Å; F30-D32 PolarHBondContact O-N 3.13Å
33M93.2Very high91.9Very high8 Ų876 Ų764%0.03937%0.368CS..BIsolated β-bridgetrans-110.6155.9175.7-56.8169.858.600109.5K19 R20 S27 F30 K31 C37 H41K19-M33 HydrophobicContact CB-CG 4.24Å; R20-M33 HydrophobicContact CG-CE 3.88Å; R20-M33 VanDerWaalsContact NE-CE 3.32Å; S27-M33 PolarHBondContact N-O 3.24Å; F30-M33 VanDerWaalsContact CB-O 3.26Å; F30-M33 WeakPolarHBondContact CB-O 3.26Å; F30-M33 VanDerWaalsContact O-CB 3.23Å; F30-M33 WeakPolarHBondContact O-CB 3.41Å; F30-M33 PolarHBondContact O-N 3.48Å; K31-M33 VanDerWaalsContact C-N 3.26Å; K31-M33 PolarHBondContact O-N 3.29Å; M33-C37 HydrophobicContact CB-CB 4.21Å; M33-C37 VanDerWaalsContact CE-C 3.46Å; M33-C37 HydrophobicContact CE-CB 3.87Å; M33-C37 WeakPolarHBondContact CE-O 3.45Å; M33-H41 HydrophobicContact CE-CB 3.59Å; M33-H41 HydrophobicContact SD-CB 4.23Å
34C93.4Very high91.4Very high7 Ų776.2 Ų76.25%0.04736%0.36CS..  trans-71160.4169.3770000109.8C18 C22 F24 K36 C37 Y38C18-C34 HydrophobicContact CB-CB 4.13Å; C18-C34 PolarHBondContact SG-N 3.34Å; C22-C34 PolarHBondContact SG-SG 3.23Å; F24-C34 HydrophobicContact CB-CB 3.96Å; F24-C34 HydrophobicContact CD1-CB 3.59Å; F24-C34 HydrophobicContact CG-CB 4.19Å; C34-K36 PolarHBondContact O-N 3.43Å; C34-K36 VanDerWaalsContact O-N 3.13Å; C34-C37 PolarHBondContact O-N 3.28Å; C34-C37 VanDerWaalsContact O-N 3.15Å; C34-C37 PolarHBondContact SG-N 2.89Å; C34-C37 PolarHBondContact SG-SG 3.08Å; C34-Y38 WeakPolarHBondContact O-CB 3.23Å; C34-Y38 PolarHBondContact O-N 2.73Å
35S91Very high91Very high57 Ų5773.4 Ų73.440%0.39935%0.35SS..Hα-helixtrans-52.5-38.4-179.355.80000113.6Q39S35-Q39 VanDerWaalsContact O-CG 3.29Å; S35-Q39 WeakPolarHBondContact O-CG 3.3Å; S35-Q39 PolarHBondContact O-N 2.89Å; S35-Q39 VanDerWaalsContact O-N 3.12Å
36K93.3Very high90.2Very high151 Ų15169.9 Ų69.966%0.65735%0.345SS*.Hα-helixtrans-68.6-51177.3-66-173.8177.5-172.90112.4C34 Y38 Q39 E40C34-K36 PolarHBondContact O-N 3.43Å; C34-K36 VanDerWaalsContact O-N 3.13Å; K36-Y38 VanDerWaalsContact C-N 3.27Å; K36-Y38 PolarHBondContact O-N 3.29Å; K36-Q39 WeakPolarHBondContact O-CB 3.16Å; K36-Q39 PolarHBondContact O-N 2.73Å; K36-E40 PolarHBondContact O-N 3.37Å
37C94.8Very high89Confident9 Ų974 Ų746%0.06137%0.37CS..Hα-helixtrans-63.4-36.1179.4-72.70000111.5R20 C22 M33 C34 E40 H41R20-C37 HydrophobicContact CB-CB 4.29Å; R20-C37 HydrophobicContact CG-CB 4.26Å; C22-C37 VanDerWaalsContact SG-SG 3.66Å; M33-C37 HydrophobicContact CB-CB 4.21Å; M33-C37 VanDerWaalsContact CE-C 3.46Å; M33-C37 HydrophobicContact CE-CB 3.87Å; M33-C37 WeakPolarHBondContact CE-O 3.45Å; C34-C37 PolarHBondContact O-N 3.28Å; C34-C37 VanDerWaalsContact O-N 3.15Å; C34-C37 PolarHBondContact SG-N 2.89Å; C34-C37 PolarHBondContact SG-SG 3.08Å; C37-E40 PolarHBondContact O-N 2.91Å; C37-H41 WeakPolarHBondContact O-CB 3.47Å; C37-H41 PolarHBondContact O-N 3.05Å
38Y94.2Very high87.6Confident57 Ų5778.1 Ų78.122%0.22439%0.389CS..Hα-helixtrans-65.2-41.6175.6-174.9-109.4000111.9F30 K31 C34 K36 E40 H41 I42F30-Y38 HydrophobicContact CB-CD1 4.26Å; F30-Y38 HydrophobicContact CB-CD2 4.01Å; F30-Y38 HydrophobicContact CB-CG 3.8Å; F30-Y38 AromaticContact CD1-CD1 3.52Å; F30-Y38 HydrophobicContact CD1-CD1 3.52Å; F30-Y38 AromaticContact CD1-CE1 3.87Å; F30-Y38 HydrophobicContact CD1-CE1 3.87Å; F30-Y38 AromaticContact CD1-CG 3.97Å; F30-Y38 HydrophobicContact CD1-CG 3.97Å; F30-Y38 HydrophobicContact CE1-CD1 4.32Å; F30-Y38 HydrophobicContact CG-CD1 4.26Å; F30-Y38 HydrophobicContact CG-CG 4.26Å; F30-Y38 VanDerWaalsContact O-CD2 3.3Å; F30-Y38 WeakPolarHBondContact O-CD2 3.33Å; K31-Y38 HydrophobicContact CD-CE2 4.16Å; K31-Y38 HydrophobicContact CG-CE2 4.09Å; C34-Y38 WeakPolarHBondContact O-CB 3.23Å; C34-Y38 PolarHBondContact O-N 2.73Å; K36-Y38 VanDerWaalsContact C-N 3.27Å; K36-Y38 PolarHBondContact O-N 3.29Å; Y38-E40 VanDerWaalsContact C-N 3.34Å; Y38-E40 PolarHBondContact O-N 3.32Å; Y38-H41 WeakPolarHBondContact O-CB 3.44Å; Y38-H41 PolarHBondContact O-N 3.31Å; Y38-I42 HydrophobicContact CD1-CD1 3.64Å; Y38-I42 HydrophobicContact CD1-CG1 4.47Å; Y38-I42 HydrophobicContact CE1-CD1 3.25Å; Y38-I42 HydrophobicContact CE1-CG1 4.14Å; Y38-I42 HydrophobicContact CE2-CD1 4.44Å; Y38-I42 HydrophobicContact CG-CD1 4.39Å; Y38-I42 WeakPolarHBondContact O-CG1 3.48Å; Y38-I42 PolarHBondContact O-N 3.28Å
39Q93.9Very high86.2Confident111 Ų11181.2 Ų81.252%0.51940%0.398SS..Hα-helixtrans-61.4-41.5172.6-74.1172.515.200112.3S35 K36 H41 I42 K43S35-Q39 VanDerWaalsContact O-CG 3.29Å; S35-Q39 WeakPolarHBondContact O-CG 3.3Å; S35-Q39 PolarHBondContact O-N 2.89Å; S35-Q39 VanDerWaalsContact O-N 3.12Å; K36-Q39 WeakPolarHBondContact O-CB 3.16Å; K36-Q39 PolarHBondContact O-N 2.73Å; Q39-H41 VanDerWaalsContact C-N 3.33Å; Q39-I42 PolarHBondContact O-N 2.84Å; Q39-K43 VanDerWaalsContact O-CG 3.29Å; Q39-K43 WeakPolarHBondContact O-CG 3.38Å; Q39-K43 PolarHBondContact O-N 3.04Å; Q39-K43 VanDerWaalsContact O-N 3.1Å
40E93.8Very high84.6Confident98 Ų9879.7 Ų79.746%0.45840%0.398SS..Hα-helixtrans-63.9-38.4174.2-70.6171.9-175.200112R20 K36 C37 Y38 K43 C44R20-E40 IonicContact NH1-OE2 3.55Å; K36-E40 PolarHBondContact O-N 3.37Å; C37-E40 PolarHBondContact O-N 2.91Å; Y38-E40 VanDerWaalsContact C-N 3.34Å; Y38-E40 PolarHBondContact O-N 3.32Å; E40-K43 PolarHBondContact O-N 3.21Å; E40-C44 PolarHBondContact O-N 3.15Å; E40-C44 PolarHBondContact O-SG 3.5Å; E40-C44 VanDerWaalsContact O-SG 3.36Å
41H90.9Very high83Confident47 Ų4778.6 Ų78.622%0.21840%0.403CS..Hα-helixtrans-62.3-47.3176.1-166.9-69.9000111.9M33 C37 Y38 Q39 K43 C44 D45M33-H41 HydrophobicContact CE-CB 3.59Å; M33-H41 HydrophobicContact SD-CB 4.23Å; C37-H41 WeakPolarHBondContact O-CB 3.47Å; C37-H41 PolarHBondContact O-N 3.05Å; Y38-H41 WeakPolarHBondContact O-CB 3.44Å; Y38-H41 PolarHBondContact O-N 3.31Å; Q39-H41 VanDerWaalsContact C-N 3.33Å; H41-K43 VanDerWaalsContact C-N 3.27Å; H41-K43 PolarHBondContact O-N 3.12Å; H41-C44 PolarHBondContact O-N 2.78Å; H41-D45 IonicContact CE1-OD1 2.89Å; H41-D45 PolarHBondContact CE1-OD1 3.35Å; H41-D45 IonicContact CE1-OD2 2.67Å; H41-D45 PolarHBondContact CE1-OD2 3.37Å; H41-D45 IonicContact ND1-OD1 2.73Å; H41-D45 IonicContact ND1-OD2 3.43Å; H41-D45 PolarHBondContact ND1-OD2 2.95Å; H41-D45 WeakPolarHBondContact O-CB 3.29Å; H41-D45 VanDerWaalsContact O-CG 3.22Å; H41-D45 PolarHBondContact O-N 3.09Å
42I91.7Very high81.4Confident81 Ų8177.8 Ų77.842%0.41541%0.408SS..Hα-helixtrans-60.9-39.1176.9-64.5162.8000110.8Y38 Q39 S46Y38-I42 HydrophobicContact CD1-CD1 3.64Å; Y38-I42 HydrophobicContact CD1-CG1 4.47Å; Y38-I42 HydrophobicContact CE1-CD1 3.25Å; Y38-I42 HydrophobicContact CE1-CG1 4.14Å; Y38-I42 HydrophobicContact CE2-CD1 4.44Å; Y38-I42 HydrophobicContact CG-CD1 4.39Å; Y38-I42 WeakPolarHBondContact O-CG1 3.48Å; Y38-I42 PolarHBondContact O-N 3.28Å; Q39-I42 PolarHBondContact O-N 2.84Å; I42-S46 WeakPolarHBondContact O-CB 3.36Å; I42-S46 PolarHBondContact O-N 3.15Å
43K91.1Very high79.6Confident145 Ų14583.3 Ų83.363%0.6344%0.436SS*.Hα-helixtrans-65.9-43.6177.6-71.8171.9-176.6-178.90112.3Q39 E40 H41 T47Q39-K43 VanDerWaalsContact O-CG 3.29Å; Q39-K43 WeakPolarHBondContact O-CG 3.38Å; Q39-K43 PolarHBondContact O-N 3.04Å; Q39-K43 VanDerWaalsContact O-N 3.1Å; E40-K43 PolarHBondContact O-N 3.21Å; H41-K43 VanDerWaalsContact C-N 3.27Å; H41-K43 PolarHBondContact O-N 3.12Å; K43-T47 PolarHBondContact O-N 2.97Å; K43-T47 PolarHBondContact O-OG1 3.31Å
44C81.4Confident77.7Confident66 Ų6688.7 Ų88.745%0.44647%0.469SS..Hα-helixtrans-67.5-40.8177.3-69.70000112.5E40 H41 T47 L48E40-C44 PolarHBondContact O-N 3.15Å; E40-C44 PolarHBondContact O-SG 3.5Å; E40-C44 VanDerWaalsContact O-SG 3.36Å; H41-C44 PolarHBondContact O-N 2.78Å; C44-T47 WeakPolarHBondContact CA-OG1 3.39Å; C44-T47 PolarHBondContact O-N 3.47Å; C44-T47 PolarHBondContact O-OG1 3.1Å; C44-L48 PolarHBondContact O-N 3.48Å; C44-L48 VanDerWaalsContact O-N 3.08Å
45D81.4Confident75.6Confident63 Ų6396.2 Ų96.234%0.33750%0.504SS..Hα-helixtrans-63.8-43.5178.2-69-9.8000111H41 T47 L48 E49H41-D45 IonicContact CE1-OD1 2.89Å; H41-D45 PolarHBondContact CE1-OD1 3.35Å; H41-D45 IonicContact CE1-OD2 2.67Å; H41-D45 PolarHBondContact CE1-OD2 3.37Å; H41-D45 IonicContact ND1-OD1 2.73Å; H41-D45 IonicContact ND1-OD2 3.43Å; H41-D45 PolarHBondContact ND1-OD2 2.95Å; H41-D45 WeakPolarHBondContact O-CB 3.29Å; H41-D45 VanDerWaalsContact O-CG 3.22Å; H41-D45 PolarHBondContact O-N 3.09Å; D45-T47 VanDerWaalsContact C-N 3.27Å; D45-T47 PolarHBondContact O-N 3.2Å; D45-L48 WeakPolarHBondContact O-CB 3.29Å; D45-L48 PolarHBondContact O-N 3.36Å; D45-E49 PolarHBondContact O-N 3.13Å; D45-E49 VanDerWaalsContact O-N 3.15Å
46S76.4Confident73.5Confident58 Ų5898.4 Ų98.441%0.40652%0.519SS..Hα-helixtrans-63.8-31.6178.5-171.60000112.9I42 Q50I42-S46 WeakPolarHBondContact O-CB 3.36Å; I42-S46 PolarHBondContact O-N 3.15Å; S46-Q50 PolarHBondContact O-NE2 3.12Å
47T67.1Low71.6Confident88 Ų8896.4 Ų96.454%0.5452%0.52SS..Hα-helixtrans-75.3-28.1172.950.90000113.4K43 C44 D45 A51K43-T47 PolarHBondContact O-N 2.97Å; K43-T47 PolarHBondContact O-OG1 3.31Å; C44-T47 WeakPolarHBondContact CA-OG1 3.39Å; C44-T47 PolarHBondContact O-N 3.47Å; C44-T47 PolarHBondContact O-OG1 3.1Å; D45-T47 VanDerWaalsContact C-N 3.27Å; D45-T47 PolarHBondContact O-N 3.2Å; T47-A51 PolarHBondContact O-N 2.97Å; T47-A51 VanDerWaalsContact O-N 3.12Å
48L62.6Low69.6Low117 Ų117100.8 Ų100.861%0.61355%0.55SS**Hα-helixtrans-71.9-39.1178.4-165.876.8000111.2C44 D45 Q50 A51 T52C44-L48 PolarHBondContact O-N 3.48Å; C44-L48 VanDerWaalsContact O-N 3.08Å; D45-L48 WeakPolarHBondContact O-CB 3.29Å; D45-L48 PolarHBondContact O-N 3.36Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 2.94Å; L48-A51 PolarHBondContact O-N 3.07Å; L48-T52 WeakPolarHBondContact O-CG2 3.4Å; L48-T52 PolarHBondContact O-N 3.01Å; L48-T52 PolarHBondContact O-OG1 2.98Å
49E58.2Low68Low148 Ų148105.5 Ų105.569%0.69258%0.578SS**Hα-helixtrans-67.1-30.9175.5-67.8-172.3155.900112.8D45 T52D45-E49 PolarHBondContact O-N 3.13Å; D45-E49 VanDerWaalsContact O-N 3.15Å; E49-T52 PolarHBondContact O-OG1 2.72Å
50Q56.1Low65.6Low137 Ų137106.9 Ų106.964%0.6459%0.589SS**Hα-helixtrans-75.9-28.8174.2-71.8176.845.700112.7S46 L48S46-Q50 PolarHBondContact O-NE2 3.12Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 2.94Å
51A56.3Low63.6Low54 Ų54113.5 Ų113.545%0.44661%0.609SS.*Hα-helixtrans-76.7-23.4176.600000113.1T47 L48 L53T47-A51 PolarHBondContact O-N 2.97Å; T47-A51 VanDerWaalsContact O-N 3.12Å; L48-A51 PolarHBondContact O-N 3.07Å; A51-L53 VanDerWaalsContact C-N 3.31Å; A51-L53 PolarHBondContact O-N 3.14Å
52T56.8Low61.8Low96 Ų96115.7 Ų115.759%0.58963%0.63SS**THydrogen-bonded Turntrans-75.3-10.8-179.645.30000115.2L48 E49L48-T52 WeakPolarHBondContact O-CG2 3.4Å; L48-T52 PolarHBondContact O-N 3.01Å; L48-T52 PolarHBondContact O-OG1 2.98Å; E49-T52 PolarHBondContact O-OG1 2.72Å
53L55.2Low60Low151 Ų151119 Ų11979%0.79165%0.649SS**THydrogen-bonded Turntrans-92.4-5.7177.1-76.3172.8000114.6A51A51-L53 VanDerWaalsContact C-N 3.31Å; A51-L53 PolarHBondContact O-N 3.14Å
54V51.7Low58.1Low121 Ų121117.6 Ų117.673%0.73365%0.648SS**SBendtrans-122.16.7-174.9-78.30000114.7
55H50.7Low56.8Low165 Ų165124.2 Ų124.276%0.76466%0.664SS**  trans-122.453.8177-14466.8000112.4
56S46.9Very low55.2Low104 Ų104130 Ų13073%0.72769%0.686SS**  trans-109.944.8173.1-57.20000111.1
57T52.6Low53.9Low109 Ų109132.7 Ų132.767%0.66971%0.705SS**  trans-148.1122.9163.853.10000109.8
58S53.9Low53.2Low100 Ų100138 Ų13870%0.69972%0.723SS**  trans109.396.7142.8-40.70000118.6
59I60.7Low52.6Low156 Ų156139.3 Ų139.380%0.873%0.73SS**  trans85.795.7130.6-47.6157.3000117.7
60D41.7Very low52.2Low140 Ų140139.2 Ų139.275%0.74973%0.734SS**  trans-18.9121.5140.8-151.9-66.3000115.3
61R53.6Low51.5Low237 Ų237139.1 Ų139.189%0.89474%0.738SS**  trans-164.2122.9148.1-109.8162.8178.1-163.8-3112.9
62S51.3Low50.7Low94 Ų94141 Ų14166%0.65775%0.746SS**  trans-56.5158.6-174.1-45.60000117.5
63D54.1Low50.1Low149 Ų149142 Ų14280%0.79776%0.756SS**  trans92.6110.2135-88.6-44.5000120.8
64N52.8Low49.4Very low117 Ų117142.9 Ų142.963%0.62676%0.756SS**  100.3114.9114.9-154.128.9000117.6
65R53.8Low49.4Very low205 Ų205145.7 Ų145.777%0.77476%0.761SS**  trans96.5105.5145.6-51.5-156.8169.2168.3-3.7119.7
66K47Very low49.4Very low185 Ų185143 Ų14380%0.80476%0.761SS**  87.292.4114.3-158.4168.9-173.2178.30114.7
67S48.5Very low49.2Very low114 Ų114143.9 Ų143.980%0.79776%0.764SS**  48.391.298.1-80.20000113.7
68Q53.7Low49.3Very low199 Ų199148.4 Ų148.493%0.9377%0.774SS**  trans-135.392.8150.6-70.4-167.4-0.200108.6
69L48.8Very low48.5Very low144 Ų144151 Ų15175%0.75478%0.78SS**  trans-83.2152.5159.5-154.2161.5000105.7
70L49.5Very low47.8Very low147 Ų147149.5 Ų149.577%0.7778%0.784SS**  trans79.2145.6172.4-37.1155.7000111.9
71D41.4Very low47.8Very low135 Ų135148.9 Ų148.972%0.72279%0.785SS**  cis-167.2167.323.7-160.816000110
72C41Very low47.5Very low92 Ų92142.2 Ų142.262%0.62277%0.774SS**  trans-55.6144.7-177.552.70000117.6
73C43.4Very low47.3Very low118 Ų118144 Ų14480%0.79778%0.777SS**  trans-115.998.1162.9-73.50000110
74E39.7Very low47.1Very low170 Ų170145.5 Ų145.579%0.79478%0.779SS**  trans-70.2141.5154.1-72.7-179.9108.100109.9
75H52.7Low47Very low180 Ų180145.8 Ų145.883%0.83379%0.79SS**  trans-136.6109.6155.7-78.385.8000109.1
76S50.1Low46.5Very low108 Ų108143.6 Ų143.676%0.75579%0.794SS**  trans-74.7158.6170.4-101.50000112.6
77P43.9Very low46.8Very low122 Ų122139.9 Ų139.979%0.79279%0.788SS**  trans-89.3161.9-173.537.3-33.7000112.9
78K54.5Low46.5Very low205 Ų205140 Ų14089%0.89178%0.784SS**  trans-136.3119.8171.3-53-175.5-173.1-178.10110.4
79D35.6Very low46Very low155 Ų155136 Ų13683%0.82977%0.774SS**  trans-59.4150.1167.9-75.6-64.4000113
80S46.6Very low46.2Very low124 Ų124134 Ų13487%0.86777%0.772SS**  trans-158.398.6151.4-78.70000111.7
81T41.8Very low46.4Very low127 Ų127130.7 Ų130.778%0.77976%0.761SS**  trans-27138.5151.1-40.50000116.4
82S47Very low47.1Very low96 Ų96131.9 Ų131.967%0.67176%0.763SS**  166131.811463.10000115.9
83N47.6Very low47.8Very low132 Ų132134.8 Ų134.871%0.70677%0.771SS**  trans64.9109138.7-56.8-12.5000120.1
84Q50.2Low48.1Very low180 Ų180133.6 Ų133.684%0.84176%0.764SS**  68.2108.878.5-75.4-171.363.400115.2
85S50.7Low49Very low123 Ų123136.3 Ų136.386%0.8677%0.767SS**  176.9112.8127.954.10000112.7
86D43.7Very low48.7Very low159 Ų159133.6 Ų133.685%0.8576%0.763SS**  trans-97.7-179.9154.8-92.5-45000108
87P52.4Low49Very low107 Ų107136 Ų13670%0.69577%0.766SS**  cis-135.1-158.8-41.836-16.8000110.8
88T41.8Very low49.4Very low116 Ų116137.6 Ų137.671%0.71276%0.761SS**  trans115.8124.3143.9-25.10000118.2
89T43.8Very low49.4Very low115 Ų115136.9 Ų136.971%0.70675%0.753SS**  trans105.8126.8134-21.60000119.9
90S52Low50.1Low102 Ų102139 Ų13971%0.71375%0.754SS**  trans73.9140146.4-97.60000117.5
91S53.9Low50.3Low79 Ų79137.6 Ų137.655%0.55275%0.751SS**  cis-176.314317.1-102.20000109.1
92Q56.8Low51Low160 Ų160139.1 Ų139.175%0.74875%0.754SS**  trans71.3117.6132-62.5173.86.400122.9
93L55.2Low51.1Low152 Ų152140.4 Ų140.480%0.79676%0.76SS**  trans66.2136.7130.1-51.5167.4000117.1
94S51Low51.2Low93 Ų93139.9 Ų139.965%0.6577%0.767SS**  cis-178.8148.738.1-20.90000111.2
95R57Low50.7Low228 Ų228138.6 Ų138.686%0.8677%0.766SS**  trans64110.6136.1-60.8167.8-171.9-146.51.4119.9
96T46.7Very low50.8Low123 Ų123138.4 Ų138.476%0.75576%0.764SS**  99.7131.882-58.40000112
97L57.7Low50.8Low157 Ų157135.1 Ų135.182%0.82276%0.759SS**  trans132.8143.7151.9-69.9172.4000111.1
98K51.6Low50.5Low156 Ų156139 Ų13968%0.67877%0.768SS**  cis176.1141.1-36.7168.3152.6-179175.20105.9
99R53.7Low50.5Low191 Ų191139.8 Ų139.872%0.72177%0.773SS**  trans93.7115.3162.9-68149.2-170-117.14.3117.4
100K51.3Low50.8Low198 Ų198139.3 Ų139.386%0.86178%0.775SS**  86137.990.7-74.8-172.8173.1-165.20110.7
101A50.7Low50.9Low96 Ų96144 Ų14479%0.79378%0.782SS**  cis-159.9176.68.600000110
102N57.1Low50.3Low158 Ų158144.3 Ų144.385%0.84579%0.789SS**  trans-60162.3-163-61.3-20.4000119.7
103P48.5Very low49.6Very low124 Ų124143.7 Ų143.781%0.80579%0.791SS**  trans-96.2142.3172.537.2-28.4000112.9
104S48.5Very low49.6Very low120 Ų120144.6 Ų144.684%0.83980%0.796SS**  trans-127.5114.3161.5-74.70000105.9
105D40Very low49.3Very low154 Ų154144.8 Ų144.882%0.82480%0.797SS**  68.610186.9-156.918.1000111.8
106S52.5Low48.5Very low118 Ų118138.8 Ų138.883%0.82580%0.796SS**  trans176.7116.5144.5-77.80000109.6
107A43.5Very low48.5Very low90 Ų90138 Ų13874%0.74480%0.795SS**  trans-59.3143.4165.300000111.1
108E46.5Very low48.2Very low188 Ų188142.2 Ų142.288%0.87980%0.801SS**  trans-166118.6136.6-112.6172.614000112.7
109T41.5Very low48.4Very low133 Ų133139.2 Ų139.282%0.81680%0.797SS**  trans-31.7128.4154.214.40000115.7
110S51.7Low48.4Very low106 Ų106136.8 Ų136.874%0.74180%0.803SS**  trans162.3127.9140.5490000106.4
111K52.5Low48.7Very low201 Ų201135 Ų13587%0.87480%0.802SS**  -163.1141.164.3-76.3-179.4177.2176.20110.7
112A42Very low49.6Very low84 Ų84132.8 Ų132.869%0.69479%0.789SS**  trans-66.4166.2166.100000112.4
113D42Very low50.7Low147 Ų147129.4 Ų129.479%0.78677%0.773SS**  trans70.598.7154.3-68.3-43000118.9
114L55.9Low52.7Low171 Ų171126.8 Ų126.890%0.89575%0.753SS**  -144.389.4129.5-74.2-173.9000110.3
115S43.5Very low54.9Low98 Ų98128 Ų12869%0.68574%0.739SS**  trans3.9134.5135.445.70000119.5
116A40.6Very low57.5Low101 Ų101120.7 Ų120.784%0.83570%0.7SS**  trans70.477.8133.700000118.9
117S47.6Very low59.5Low106 Ų106119 Ų11974%0.74169%0.685SS**  -148117.2122.370.40000109P119S117-P119 WeakPolarHBondContact O-CD 3.31Å
118R51.8Low61.9Low247 Ų247120.6 Ų120.693%0.93267%0.672SS**  trans-77.6104.5160.7-74.6173.386.5-148.59.7104.7V120R118-V120 PolarHBondContact O-N 3.45Å
119P55.1Low64.2Low92 Ų92114.1 Ų114.160%0.59765%0.647SS**  trans-63.1126169.327.5-31.8000106.1S117 L121S117-P119 WeakPolarHBondContact O-CD 3.31Å; P119-L121 PolarHBondContact O-N 3.14Å
120V53.3Low66.7Low141 Ų141117.1 Ų117.186%0.85564%0.643SS**  trans-41.6111.9165.8175.50000106.2R118 G122R118-V120 PolarHBondContact O-N 3.45Å; V120-G122 PolarHBondContact O-N 3.29Å
121L58Low68.7Low159 Ų159118.2 Ų118.283%0.83264%0.635SS**  trans-66.385.4-173.9-65.9178000107.9P119 V123P119-L121 PolarHBondContact O-N 3.14Å; L121-V123 PolarHBondContact O-N 3.29Å
122G70.4Confident70.7Confident50 Ų50118.1 Ų118.152%0.51563%0.629SS.*PPolyproline II helixtrans-52.8137.6170.500000107.6V120 N124V120-G122 PolarHBondContact O-N 3.29Å; G122-N124 PolarHBondContact O-N 3.23Å
123V80.5Confident73.1Confident87 Ų87114.5 Ų114.553%0.52760%0.598SS.*PPolyproline II helixtrans-53.7118.2-178.8-179.60000108.7L121 R125 R132L121-V123 PolarHBondContact O-N 3.29Å; V123-R125 WeakPolarHBondContact O-CG 3.46Å; V123-R125 PolarHBondContact O-N 2.83Å; V123-R125 VanDerWaalsContact O-N 3.16Å; V123-R132 HydrophobicContact CG1-CB 4.23Å; V123-R132 HydrophobicContact CG1-CG 3.83Å
124N90.1Very high75.3Confident69 Ų69109.1 Ų109.137%0.36958%0.577SS.*PPolyproline II helixtrans-58.8120.8175.9-62.7-27.2000108.9G122 V133 G134 L145G122-N124 PolarHBondContact O-N 3.23Å; N124-V133 HydrophobicContact CB-CG2 3.69Å; N124-V133 VanDerWaalsContact O-CG2 3.32Å; N124-V133 WeakPolarHBondContact O-CG2 2.9Å; N124-V133 PolarHBondContact O-N 3.14Å; N124-G134 VanDerWaalsContact CB-O 3.3Å; N124-G134 WeakPolarHBondContact CB-O 3.42Å; N124-G134 PolarHBondContact ND2-O 3.21Å; N124-G134 PolarHBondContact O-N 2.92Å; N124-L145 HydrophobicContact CB-CD1 4.48Å
125R93.3Very high76.8Confident145 Ų145109.4 Ų109.455%0.54758%0.579SS.*BIsolated β-bridgetrans-123.8147.8179.1-69.2175.4-163.8-1506109.4V123 T127 K131 R132V123-R125 WeakPolarHBondContact O-CG 3.46Å; V123-R125 PolarHBondContact O-N 2.83Å; V123-R125 VanDerWaalsContact O-N 3.16Å; R125-T127 PolarHBondContact O-N 3.5Å; R125-K131 CarbonylContact C-O 3.53Å; R125-K131 VanDerWaalsContact CA-O 3.28Å; R125-K131 WeakPolarHBondContact CA-O 3.47Å; R125-R132 HydrophobicContact CG-CG 4.39Å
126C95.4Very high79Confident2 Ų2110 Ų1101%0.01458%0.578CS.*  trans-60.3128.9171.2178.10000109.6W128 C129 R130 K131 V133 L145 C147C126-W128 VanDerWaalsContact C-N 3.28Å; C126-W128 PolarHBondContact O-N 3.42Å; C126-C129 VanDerWaalsContact CB-SG 3.57Å; C126-C129 PolarHBondContact SG-N 2.83Å; C126-R130 WeakPolarHBondContact O-CA 3.28Å; C126-R130 PolarHBondContact O-N 3.43Å; C126-K131 PolarHBondContact N-O 3.07Å; C126-V133 HydrophobicContact CB-CG1 4.07Å; C126-L145 CarbonylContact C-O 3.5Å; C126-L145 VanDerWaalsContact CA-O 3.23Å; C126-L145 WeakPolarHBondContact CA-O 3.17Å; C126-C147 HydrophobicContact CB-CB 4.19Å
127T93.7Very high81.5Confident83 Ų83106.3 Ų106.351%0.50955%0.55SS..THydrogen-bonded Turntrans-65.2-34179.651.60000112.1R125 L145 F146R125-T127 PolarHBondContact O-N 3.5Å; T127-L145 PolarHBondContact N-O 2.86Å; T127-L145 PolarHBondContact OG1-O 2.67Å; T127-F146 WeakPolarHBondContact OG1-CD1 3.32Å; T127-F146 WeakPolarHBondContact OG1-CE1 3.39Å; T127-F146 WeakPolarHBondContact OG1-CZ 3.15Å
128W94.7Very high83.8Confident123 Ų123104.9 Ų104.947%0.46653%0.531SS..THydrogen-bonded Turntrans-77-58.5178.8-173.6-99.1000113.5C126 F146 H150 H156 E157C126-W128 VanDerWaalsContact C-N 3.28Å; C126-W128 PolarHBondContact O-N 3.42Å; W128-F146 HydrophobicContact CB-CD1 4.16Å; W128-F146 HydrophobicContact CB-CE1 4.08Å; W128-H150 HydrophobicContact CB-CB 4.35Å; W128-H150 AromaticContact CD1-CD2 3.24Å; W128-H150 AromaticContact CD1-CE1 3.73Å; W128-H150 AromaticContact CD1-CG 3.65Å; W128-H150 AromaticContact CD1-ND1 3.9Å; W128-H150 AromaticContact CD1-NE2 3.3Å; W128-H150 VanDerWaalsContact CD1-NE2 3.3Å; W128-H150 AromaticContact NE1-CD2 3.78Å; W128-H150 AromaticContact NE1-NE2 3.76Å; W128-H156 HydrophobicContact CB-CB 4.33Å; W128-H156 HydrophobicContact CD2-CB 4.29Å; W128-H156 HydrophobicContact CE3-CB 4.16Å; W128-H156 HydrophobicContact CG-CB 4.4Å; W128-E157 HydrophobicContact CH2-CB 4.48Å; W128-E157 HydrophobicContact CH2-CG 3.75Å; W128-E157 HydrophobicContact CZ3-CB 4.04Å; W128-E157 HydrophobicContact CZ3-CG 3.8Å
129C95.5Very high85.8Confident52 Ų5297 Ų9735%0.35152%0.518SS..THydrogen-bonded Turntrans-102.5-0.7-175.171.70000115.5C126 K131 C147 H150C126-C129 VanDerWaalsContact CB-SG 3.57Å; C126-C129 PolarHBondContact SG-N 2.83Å; C129-K131 PolarHBondContact O-N 3.33Å; C129-K131 WeakPolarHBondContact SG-CB 3.04Å; C129-C147 VanDerWaalsContact SG-SG 3.62Å; C129-H150 WeakPolarHBondContact CB-CE1 3.44Å; C129-H150 PolarHBondContact SG-CE1 2.88Å; C129-H150 PolarHBondContact SG-ND1 3.22Å
130R92.8Very high87.8Confident196 Ų19693.4 Ų93.474%0.7450%0.495SS*.  trans59.110.3-178.1-55-177.7-179.4-175.70.1115.6C126C126-R130 WeakPolarHBondContact O-CA 3.28Å; C126-R130 PolarHBondContact O-N 3.43Å
131K93.8Very high89.7Confident129 Ų12992.4 Ų92.456%0.56148%0.476SS*.  trans-61.2136.9173.1179.3165.2-78.4-154.70110.1R125 C126 C129 V133R125-K131 CarbonylContact C-O 3.53Å; R125-K131 VanDerWaalsContact CA-O 3.28Å; R125-K131 WeakPolarHBondContact CA-O 3.47Å; C126-K131 PolarHBondContact N-O 3.07Å; C129-K131 PolarHBondContact O-N 3.33Å; C129-K131 WeakPolarHBondContact SG-CB 3.04Å; K131-V133 PolarHBondContact O-N 3.06Å
132R93.9Very high91.4Very high199 Ų19986.8 Ų86.875%0.75145%0.45SS*.BIsolated β-bridgetrans-63.8117.6174.8-67.3-174.2-81.4-161.7-4.6109.4V123 R125V123-R132 HydrophobicContact CG1-CB 4.23Å; V123-R132 HydrophobicContact CG1-CG 3.83Å; R125-R132 HydrophobicContact CG-CG 4.39Å
133V93.3Very high92.5Very high8 Ų892 Ų925%0.04847%0.465CS..  trans-103.4-19.3179.1-61.10000112.6N124 C126 K131 L135 T136 C147N124-V133 HydrophobicContact CB-CG2 3.69Å; N124-V133 VanDerWaalsContact O-CG2 3.32Å; N124-V133 WeakPolarHBondContact O-CG2 2.9Å; N124-V133 PolarHBondContact O-N 3.14Å; C126-V133 HydrophobicContact CB-CG1 4.07Å; K131-V133 PolarHBondContact O-N 3.06Å; V133-L135 PolarHBondContact O-N 3.2Å; V133-T136 PolarHBondContact O-N 2.97Å; V133-T136 PolarHBondContact O-OG1 2.96Å; V133-C147 HydrophobicContact CG1-CB 3.63Å
134G87.8Confident93.1Very high33 Ų3388.3 Ų88.334%0.3445%0.445SS..G310 helixtrans53.8-130.5177.200000112.1N124 T136N124-G134 VanDerWaalsContact CB-O 3.3Å; N124-G134 WeakPolarHBondContact CB-O 3.42Å; N124-G134 PolarHBondContact ND2-O 3.21Å; N124-G134 PolarHBondContact O-N 2.92Å; G134-T136 VanDerWaalsContact C-N 3.32Å
135L87.2Confident93.3Very high178 Ų17888 Ų8893%0.93244%0.443SS*.G310 helixtrans-80.5-10.6177.5-157.269.1000113.3V133V133-L135 PolarHBondContact O-N 3.2Å
136T90.3Very high93.5Very high109 Ų10981.4 Ų81.467%0.66942%0.419SS*.G310 helixtrans-97.816.9-176.8610000113.1V133 G134V133-T136 PolarHBondContact O-N 2.97Å; V133-T136 PolarHBondContact O-OG1 2.96Å; G134-T136 VanDerWaalsContact C-N 3.32Å
137G93.3Very high93.5Very high24 Ų2481.8 Ų81.825%0.24742%0.421CS..PPolyproline II helixtrans-69.7135.917400000111.9
138F95.4Very high93.5Very high77 Ų7781.7 Ų81.734%0.33842%0.424SS..EExtended strand (participates in β ladder)trans-95.1125.2172.8-59.9-81.7000109.3F146 R151F138-F146 PolarHBondContact N-O 2.88Å; F138-F146 PolarHBondContact O-N 2.85Å; F138-R151 HydrophobicContact CB-CB 4.35Å; F138-R151 HydrophobicContact CB-CG 3.89Å; F138-R151 HydrophobicContact CD1-CG 4.38Å; F138-R151 HydrophobicContact CD2-CB 4.21Å; F138-R151 HydrophobicContact CD2-CG 4.23Å; F138-R151 HydrophobicContact CG-CB 4.35Å; F138-R151 HydrophobicContact CG-CG 3.91Å
139A94.4Very high93.6Very high82 Ų8281.2 Ų81.268%0.67843%0.43SS*.EExtended strand (participates in β ladder)trans-78.4133.2170.600000109.9G144 L145A139-G144 WeakPolarHBondContact CA-O 3.25Å; A139-L145 HydrophobicContact CB-CD2 4.17Å
140C95.7Very high93.6Very high16 Ų1680.4 Ų80.411%0.10842%0.421CS..PPolyproline II helixtrans-96.5163.5170.7-1680000110.7C142 D143 G144 F146 H156 Y162C140-C142 PolarHBondContact O-N 3.23Å; C140-C142 VanDerWaalsContact SG-SG 3.67Å; C140-D143 PolarHBondContact O-N 3.35Å; C140-D143 VanDerWaalsContact O-N 3.07Å; C140-G144 PolarHBondContact N-O 3.38Å; C140-F146 HydrophobicContact CB-CD2 3.75Å; C140-F146 HydrophobicContact CB-CE2 3.46Å; C140-F146 VanDerWaalsContact CB-CE2 3.46Å; C140-H156 PolarHBondContact SG-CE1 3.12Å; C140-H156 PolarHBondContact SG-NE2 3.12Å; C140-Y162 PolarHBondContact SG-OH 3.18Å; C140-Y162 VanDerWaalsContact SG-OH 3.36Å
141R93.8Very high93.7Very high120 Ų12076.9 Ų76.945%0.45341%0.407SS..THydrogen-bonded Turntrans-66.4-13.7176.8-63.4-168.5-177.6-151.31.7113.7D143 Y160 Y162 N165 E169R141-D143 PolarHBondContact O-N 3.46Å; R141-Y160 HydrophobicContact CB-CD1 3.68Å; R141-Y160 HydrophobicContact CB-CD2 3.8Å; R141-Y160 HydrophobicContact CB-CE1 3.78Å; R141-Y160 HydrophobicContact CB-CE2 3.9Å; R141-Y160 HydrophobicContact CB-CG 3.67Å; R141-Y160 HydrophobicContact CG-CD1 4.44Å; R141-Y160 HydrophobicContact CG-CE1 4.19Å; R141-Y160 PolarHBondContact NH1-OH 3.29Å; R141-Y160 VanDerWaalsContact O-CD2 3.32Å; R141-Y160 WeakPolarHBondContact O-CD2 3.42Å; R141-Y162 HydrophobicContact CG-CE1 4.29Å; R141-N165 PolarHBondContact NH1-ND2 2.82Å; R141-E169 IonicContact NH1-OE1 4Å; R141-E169 PolarHBondContact NH1-OE1 3.24Å; R141-E169 VanDerWaalsContact NH1-OE1 3.14Å; R141-E169 IonicContact NH2-OE1 3.65Å
142C95.1Very high93.8Very high41 Ų4176.8 Ų76.828%0.27740%0.404SS..THydrogen-bonded Turntrans-86.416.9170.763.10000113.5C140 G144 H156C140-C142 PolarHBondContact O-N 3.23Å; C140-C142 VanDerWaalsContact SG-SG 3.67Å; C142-G144 PolarHBondContact O-N 3.31Å; C142-G144 VanDerWaalsContact O-N 3.12Å; C142-H156 PolarHBondContact SG-NE2 3.07Å
143D91.7Very high93.8Very high159 Ų15969.9 Ų69.985%0.8539%0.387SS*.SBendtrans64.28.9-180-55-42.6000116.2C140 R141C140-D143 PolarHBondContact O-N 3.35Å; C140-D143 VanDerWaalsContact O-N 3.07Å; R141-D143 PolarHBondContact O-N 3.46Å
144G93.3Very high93.8Very high10 Ų1075.7 Ų75.710%0.10342%0.418CS..  trans-84.6150.2174.200000114A139 C140 C142 F146A139-G144 WeakPolarHBondContact CA-O 3.25Å; C140-G144 PolarHBondContact N-O 3.38Å; C142-G144 PolarHBondContact O-N 3.31Å; C142-G144 VanDerWaalsContact O-N 3.12Å; G144-F146 VanDerWaalsContact C-CE2 3.42Å; G144-F146 WeakPolarHBondContact O-CD2 3.5Å; G144-F146 WeakPolarHBondContact O-CE2 3.27Å
145L95.3Very high94.2Very high62 Ų6277.2 Ų77.233%0.32542%0.416SS..EExtended strand (participates in β ladder)trans-100130.1169.1-76173000110.8N124 C126 T127 A139N124-L145 HydrophobicContact CB-CD1 4.48Å; C126-L145 CarbonylContact C-O 3.5Å; C126-L145 VanDerWaalsContact CA-O 3.23Å; C126-L145 WeakPolarHBondContact CA-O 3.17Å; T127-L145 PolarHBondContact N-O 2.86Å; T127-L145 PolarHBondContact OG1-O 2.67Å; A139-L145 HydrophobicContact CB-CD2 4.17Å
146F96.6Very high94.5Very high7 Ų769 Ų693%0.03137%0.373CS..EExtended strand (participates in β ladder)trans-130.9157.3-173.8-58.8-87.3000113.1T127 W128 F138 C140 G144 H150 H156T127-F146 WeakPolarHBondContact OG1-CD1 3.32Å; T127-F146 WeakPolarHBondContact OG1-CE1 3.39Å; T127-F146 WeakPolarHBondContact OG1-CZ 3.15Å; W128-F146 HydrophobicContact CB-CD1 4.16Å; W128-F146 HydrophobicContact CB-CE1 4.08Å; F138-F146 PolarHBondContact N-O 2.88Å; F138-F146 PolarHBondContact O-N 2.85Å; C140-F146 HydrophobicContact CB-CD2 3.75Å; C140-F146 HydrophobicContact CB-CE2 3.46Å; C140-F146 VanDerWaalsContact CB-CE2 3.46Å; G144-F146 VanDerWaalsContact C-CE2 3.42Å; G144-F146 WeakPolarHBondContact O-CD2 3.5Å; G144-F146 WeakPolarHBondContact O-CE2 3.27Å; F146-H150 HydrophobicContact CB-CB 4.14Å; F146-H150 WeakPolarHBondContact CB-O 3.37Å; F146-H150 HydrophobicContact CD1-CB 3.92Å; F146-H150 WeakPolarHBondContact CD1-O 3.39Å; F146-H150 HydrophobicContact CG-CB 4.44Å; F146-H150 VanDerWaalsContact CG-O 3.25Å; F146-H150 WeakPolarHBondContact CG-O 2.86Å; F146-H156 HydrophobicContact CD1-CB 4.03Å; F146-H156 HydrophobicContact CE1-CB 3.4Å; F146-H156 AromaticContact CE1-CD2 3.71Å; F146-H156 AromaticContact CE1-CG 3.41Å; F146-H156 VanDerWaalsContact CE1-CG 3.41Å; F146-H156 AromaticContact CE1-ND1 3.97Å; F146-H156 AromaticContact CE2-CD2 3.87Å; F146-H156 AromaticContact CE2-NE2 3.78Å; F146-H156 HydrophobicContact CZ-CB 3.96Å; F146-H156 AromaticContact CZ-CD2 3.27Å; F146-H156 WeakPolarHBondContact CZ-CD2 3.23Å; F146-H156 AromaticContact CZ-CG 3.48Å; F146-H156 VanDerWaalsContact CZ-CG 3.48Å; F146-H156 AromaticContact CZ-ND1 4Å; F146-H156 AromaticContact CZ-NE2 3.69Å
147C96.2Very high94.6Very high9 Ų971.9 Ų71.96%0.06138%0.379CS..  trans-79.5171.5170.262.70000110.9C126 C129 V133 L149 H150 R151C126-C147 HydrophobicContact CB-CB 4.19Å; C129-C147 VanDerWaalsContact SG-SG 3.62Å; V133-C147 HydrophobicContact CG1-CB 3.63Å; C147-L149 PolarHBondContact O-N 3.46Å; C147-L149 VanDerWaalsContact O-N 3.07Å; C147-H150 CarbonylContact O-C 3.55Å; C147-H150 PolarHBondContact O-N 3.16Å; C147-H150 PolarHBondContact SG-ND1 3.25Å; C147-R151 PolarHBondContact O-N 2.86Å; C147-R151 VanDerWaalsContact O-N 3.14Å
148S93.9Very high94.7Very high82 Ų8272.1 Ų72.157%0.57338%0.376SS*.G310 helixtrans-51.3-33.3176.451.50000114.4
149L95.4Very high94.6Very high113 Ų11373.2 Ų73.259%0.59240%0.399SS*.G310 helixtrans-84.6-8.6179.6-60.7177.6000115.5C147 Q155C147-L149 PolarHBondContact O-N 3.46Å; C147-L149 VanDerWaalsContact O-N 3.07Å; L149-Q155 PolarHBondContact O-OE1 3.38Å
150H96.2Very high94.7Very high34 Ų3472.4 Ų72.416%0.15738%0.379CS..G310 helixtrans-126.121176.8-57.5112.4000111.2W128 C129 F146 C147 Y152 Q155 H156W128-H150 HydrophobicContact CB-CB 4.35Å; W128-H150 AromaticContact CD1-CD2 3.24Å; W128-H150 AromaticContact CD1-CE1 3.73Å; W128-H150 AromaticContact CD1-CG 3.65Å; W128-H150 AromaticContact CD1-ND1 3.9Å; W128-H150 AromaticContact CD1-NE2 3.3Å; W128-H150 VanDerWaalsContact CD1-NE2 3.3Å; W128-H150 AromaticContact NE1-CD2 3.78Å; W128-H150 AromaticContact NE1-NE2 3.76Å; C129-H150 WeakPolarHBondContact CB-CE1 3.44Å; C129-H150 PolarHBondContact SG-CE1 2.88Å; C129-H150 PolarHBondContact SG-ND1 3.22Å; F146-H150 HydrophobicContact CB-CB 4.14Å; F146-H150 WeakPolarHBondContact CB-O 3.37Å; F146-H150 HydrophobicContact CD1-CB 3.92Å; F146-H150 WeakPolarHBondContact CD1-O 3.39Å; F146-H150 HydrophobicContact CG-CB 4.44Å; F146-H150 VanDerWaalsContact CG-O 3.25Å; F146-H150 WeakPolarHBondContact CG-O 2.86Å; C147-H150 CarbonylContact O-C 3.55Å; C147-H150 PolarHBondContact O-N 3.16Å; C147-H150 PolarHBondContact SG-ND1 3.25Å; H150-Y152 VanDerWaalsContact C-N 3.34Å; H150-Q155 HydrophobicContact CB-CB 4.45Å; H150-Q155 PolarHBondContact CD2-O 3.46Å; H150-Q155 VanDerWaalsContact CD2-O 3.29Å; H150-H156 PolarHBondContact O-ND1 3.01Å
151R95.1Very high94.7Very high122 Ų12276 Ų7646%0.4640%0.398SS..  trans-69.2-36.6-176173.4-177.6170.9-168-2.8111.2F138 C147F138-R151 HydrophobicContact CB-CB 4.35Å; F138-R151 HydrophobicContact CB-CG 3.89Å; F138-R151 HydrophobicContact CD1-CG 4.38Å; F138-R151 HydrophobicContact CD2-CB 4.21Å; F138-R151 HydrophobicContact CD2-CG 4.23Å; F138-R151 HydrophobicContact CG-CB 4.35Å; F138-R151 HydrophobicContact CG-CG 3.91Å; C147-R151 PolarHBondContact O-N 2.86Å; C147-R151 VanDerWaalsContact O-N 3.14Å
152Y95Very high94.7Very high127 Ų12774.5 Ų74.550%0.49839%0.392SS..SBendtrans-85.9151.4-173.8-56.9-73.3000111H150 D154 Q155 H156H150-Y152 VanDerWaalsContact C-N 3.34Å; Y152-D154 WeakPolarHBondContact CB-OD1 3.3Å; Y152-D154 PolarHBondContact O-N 3.36Å; Y152-Q155 PolarHBondContact O-N 2.9Å; Y152-H156 PolarHBondContact O-CE1 3.2Å; Y152-H156 VanDerWaalsContact O-CE1 3.31Å; Y152-H156 PolarHBondContact O-ND1 2.93Å
153S94.4Very high94.8Very high55 Ų5579.8 Ų79.839%0.38541%0.413SS..THydrogen-bonded Turntrans-68.8-12.5-17352.30000115.1H156 C158S153-H156 CarbonylContact C-O 3.46Å; S153-C158 WeakPolarHBondContact O-CB 3.23Å
154D94Very high95Very high130 Ų13074.2 Ų74.270%0.69539%0.389SS*.THydrogen-bonded Turntrans-85.9-23.6172.859.6-39.6000112.2Y152Y152-D154 WeakPolarHBondContact CB-OD1 3.3Å; Y152-D154 PolarHBondContact O-N 3.36Å
155Q95.2Very high95.1Very high64 Ų6475.5 Ų75.530%0.29939%0.393SS..THydrogen-bonded Turntrans-91.5-13.6-176.4-62.8173.9-22.600113.3L149 H150 Y152L149-Q155 PolarHBondContact O-OE1 3.38Å; H150-Q155 HydrophobicContact CB-CB 4.45Å; H150-Q155 PolarHBondContact CD2-O 3.46Å; H150-Q155 VanDerWaalsContact CD2-O 3.29Å; Y152-Q155 PolarHBondContact O-N 2.9Å
156H94Very high95.2Very high7 Ų773.7 Ų73.73%0.03239%0.39CS..THydrogen-bonded Turntrans-130.1144.3165.963.9-79.3000106.5W128 C140 C142 F146 H150 Y152 S153 C158W128-H156 HydrophobicContact CB-CB 4.33Å; W128-H156 HydrophobicContact CD2-CB 4.29Å; W128-H156 HydrophobicContact CE3-CB 4.16Å; W128-H156 HydrophobicContact CG-CB 4.4Å; C140-H156 PolarHBondContact SG-CE1 3.12Å; C140-H156 PolarHBondContact SG-NE2 3.12Å; C142-H156 PolarHBondContact SG-NE2 3.07Å; F146-H156 HydrophobicContact CD1-CB 4.03Å; F146-H156 HydrophobicContact CE1-CB 3.4Å; F146-H156 AromaticContact CE1-CD2 3.71Å; F146-H156 AromaticContact CE1-CG 3.41Å; F146-H156 VanDerWaalsContact CE1-CG 3.41Å; F146-H156 AromaticContact CE1-ND1 3.97Å; F146-H156 AromaticContact CE2-CD2 3.87Å; F146-H156 AromaticContact CE2-NE2 3.78Å; F146-H156 HydrophobicContact CZ-CB 3.96Å; F146-H156 AromaticContact CZ-CD2 3.27Å; F146-H156 WeakPolarHBondContact CZ-CD2 3.23Å; F146-H156 AromaticContact CZ-CG 3.48Å; F146-H156 VanDerWaalsContact CZ-CG 3.48Å; F146-H156 AromaticContact CZ-ND1 4Å; F146-H156 AromaticContact CZ-NE2 3.69Å; H150-H156 PolarHBondContact O-ND1 3.01Å; Y152-H156 PolarHBondContact O-CE1 3.2Å; Y152-H156 VanDerWaalsContact O-CE1 3.31Å; Y152-H156 PolarHBondContact O-ND1 2.93Å; S153-H156 CarbonylContact C-O 3.46Å; H156-C158 WeakPolarHBondContact NE2-CB 3.41Å; H156-C158 PolarHBondContact NE2-SG 3.5Å; H156-C158 PolarHBondContact O-N 2.96Å
157E92.1Very high95.2Very high169 Ų16981.5 Ų81.579%0.7942%0.419SS*.THydrogen-bonded Turntrans-63.581.6175.9-69.4166.8-17300110.2W128 A159W128-E157 HydrophobicContact CH2-CB 4.48Å; W128-E157 HydrophobicContact CH2-CG 3.75Å; W128-E157 HydrophobicContact CZ3-CB 4.04Å; W128-E157 HydrophobicContact CZ3-CG 3.8Å; E157-A159 PolarHBondContact O-N 2.91Å
158C95.6Very high95.3Very high29 Ų2985.5 Ų85.520%0.19644%0.439CS..  trans-75113.5-171.1-166.20000109.8S153 H156 Y160S153-C158 WeakPolarHBondContact O-CB 3.23Å; H156-C158 WeakPolarHBondContact NE2-CB 3.41Å; H156-C158 PolarHBondContact NE2-SG 3.5Å; H156-C158 PolarHBondContact O-N 2.96Å; C158-Y160 PolarHBondContact O-N 2.66Å
159A94.1Very high95.4Very high100 Ų10085.8 Ų85.883%0.82643%0.432SS*.  trans-74.1-0.617700000114.1E157E157-A159 PolarHBondContact O-N 2.91Å
160Y95.7Very high95.4Very high64 Ų6485.9 Ų85.925%0.25143%0.432SS..  trans-85.8125.4-176.1-176.7-94.3000111.8R141 C158 Y162 N165R141-Y160 HydrophobicContact CB-CD1 3.68Å; R141-Y160 HydrophobicContact CB-CD2 3.8Å; R141-Y160 HydrophobicContact CB-CE1 3.78Å; R141-Y160 HydrophobicContact CB-CE2 3.9Å; R141-Y160 HydrophobicContact CB-CG 3.67Å; R141-Y160 HydrophobicContact CG-CD1 4.44Å; R141-Y160 HydrophobicContact CG-CE1 4.19Å; R141-Y160 PolarHBondContact NH1-OH 3.29Å; R141-Y160 VanDerWaalsContact O-CD2 3.32Å; R141-Y160 WeakPolarHBondContact O-CD2 3.42Å; C158-Y160 PolarHBondContact O-N 2.66Å; Y160-Y162 AromaticContact CD1-CD1 3.83Å; Y160-Y162 HydrophobicContact CD1-CD1 3.83Å; Y160-Y162 AromaticContact CD1-CD2 3.86Å; Y160-Y162 HydrophobicContact CD1-CD2 3.86Å; Y160-Y162 AromaticContact CD1-CE1 3.83Å; Y160-Y162 HydrophobicContact CD1-CE1 3.83Å; Y160-Y162 AromaticContact CD1-CE2 3.84Å; Y160-Y162 HydrophobicContact CD1-CE2 3.84Å; Y160-Y162 AromaticContact CD1-CG 3.86Å; Y160-Y162 HydrophobicContact CD1-CG 3.86Å; Y160-Y162 AromaticContact CD1-CZ 3.83Å; Y160-Y162 AromaticContact CE1-CD1 3.9Å; Y160-Y162 HydrophobicContact CE1-CD1 3.9Å; Y160-Y162 HydrophobicContact CE1-CE1 4.11Å; Y160-Y162 HydrophobicContact CE1-CG 4.19Å; Y160-Y162 VanDerWaalsContact O-CD2 3.23Å; Y160-Y162 WeakPolarHBondContact O-CD2 3.3Å; Y160-Y162 PolarHBondContact O-N 3.36Å; Y160-Y162 VanDerWaalsContact O-N 3.12Å; Y160-N165 HydrophobicContact CE1-CB 4.12Å; Y160-N165 VanDerWaalsContact OH-CB 3.3Å; Y160-N165 WeakPolarHBondContact OH-CB 3.06Å; Y160-N165 PolarHBondContact OH-ND2 3.2Å; Y160-N165 PolarHBondContact OH-OD1 3.22Å
161D95.7Very high95.4Very high93 Ų9387.4 Ų87.450%0.49745%0.451SS..  trans-81.391.4177.7-173.2-9.4000111.9Q163 A164 N165D161-Q163 PolarHBondContact O-N 3.19Å; D161-Q163 WeakPolarHBondContact OD1-CA 3.49Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.19Å; D161-Q163 PolarHBondContact OD1-N 2.96Å; D161-A164 HydrophobicContact CB-CB 4.25Å; D161-A164 PolarHBondContact OD1-N 3.43Å; D161-A164 WeakPolarHBondContact OD2-CB 3.46Å; D161-N165 PolarHBondContact O-N 3.49Å
162Y95Very high95.4Very high87 Ų8790.8 Ų90.834%0.34146%0.463SS..Hα-helixtrans-63.3-28.2175.5-68.7-86.9000113.4C140 R141 Y160 G166C140-Y162 PolarHBondContact SG-OH 3.18Å; C140-Y162 VanDerWaalsContact SG-OH 3.36Å; R141-Y162 HydrophobicContact CG-CE1 4.29Å; Y160-Y162 AromaticContact CD1-CD1 3.83Å; Y160-Y162 HydrophobicContact CD1-CD1 3.83Å; Y160-Y162 AromaticContact CD1-CD2 3.86Å; Y160-Y162 HydrophobicContact CD1-CD2 3.86Å; Y160-Y162 AromaticContact CD1-CE1 3.83Å; Y160-Y162 HydrophobicContact CD1-CE1 3.83Å; Y160-Y162 AromaticContact CD1-CE2 3.84Å; Y160-Y162 HydrophobicContact CD1-CE2 3.84Å; Y160-Y162 AromaticContact CD1-CG 3.86Å; Y160-Y162 HydrophobicContact CD1-CG 3.86Å; Y160-Y162 AromaticContact CD1-CZ 3.83Å; Y160-Y162 AromaticContact CE1-CD1 3.9Å; Y160-Y162 HydrophobicContact CE1-CD1 3.9Å; Y160-Y162 HydrophobicContact CE1-CE1 4.11Å; Y160-Y162 HydrophobicContact CE1-CG 4.19Å; Y160-Y162 VanDerWaalsContact O-CD2 3.23Å; Y160-Y162 WeakPolarHBondContact O-CD2 3.3Å; Y160-Y162 PolarHBondContact O-N 3.36Å; Y160-Y162 VanDerWaalsContact O-N 3.12Å; Y162-G166 WeakPolarHBondContact O-CA 3.5Å; Y162-G166 PolarHBondContact O-N 2.87Å
163Q95.4Very high95.5Very high153 Ų15388.3 Ų88.372%0.71547%0.469SS*.Hα-helixtrans-75.2-47.9-176.3-60.7-175.51.200110.9D161 G166 R167D161-Q163 PolarHBondContact O-N 3.19Å; D161-Q163 WeakPolarHBondContact OD1-CA 3.49Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.19Å; D161-Q163 PolarHBondContact OD1-N 2.96Å; Q163-G166 PolarHBondContact O-N 3.14Å; Q163-R167 WeakPolarHBondContact O-CB 3.32Å; Q163-R167 PolarHBondContact O-N 2.91Å
164A96.5Very high95.5Very high41 Ų4191 Ų9134%0.33948%0.479SS..Hα-helixtrans-62.3-45.7176.700000111.1D161 R167 L168D161-A164 HydrophobicContact CB-CB 4.25Å; D161-A164 PolarHBondContact OD1-N 3.43Å; D161-A164 WeakPolarHBondContact OD2-CB 3.46Å; A164-R167 PolarHBondContact O-N 3.41Å; A164-L168 PolarHBondContact O-N 3.45Å
165N96.3Very high95.5Very high37 Ų3789.8 Ų89.820%0.19848%0.478CS..Hα-helixtrans-66.6-41178.3-176.281.6000112.2R141 Y160 D161 R167 L168 E169R141-N165 PolarHBondContact NH1-ND2 2.82Å; Y160-N165 HydrophobicContact CE1-CB 4.12Å; Y160-N165 VanDerWaalsContact OH-CB 3.3Å; Y160-N165 WeakPolarHBondContact OH-CB 3.06Å; Y160-N165 PolarHBondContact OH-ND2 3.2Å; Y160-N165 PolarHBondContact OH-OD1 3.22Å; D161-N165 PolarHBondContact O-N 3.49Å; N165-R167 VanDerWaalsContact C-N 3.31Å; N165-R167 PolarHBondContact O-N 3.34Å; N165-L168 PolarHBondContact O-N 2.89Å; N165-L168 VanDerWaalsContact O-N 3.16Å; N165-E169 VanDerWaalsContact ND2-CD 3.29Å; N165-E169 PolarHBondContact ND2-OE1 3.36Å; N165-E169 WeakPolarHBondContact O-CG 3.31Å; N165-E169 PolarHBondContact O-N 2.88Å
166G96.4Very high95.2Very high24 Ų2493.4 Ų93.425%0.24750%0.495CS..Hα-helixtrans-60.6-39.6175.100000112.4Y162 Q163 E169 L170Y162-G166 WeakPolarHBondContact O-CA 3.5Å; Y162-G166 PolarHBondContact O-N 2.87Å; Q163-G166 PolarHBondContact O-N 3.14Å; G166-E169 PolarHBondContact O-N 3.16Å; G166-L170 WeakPolarHBondContact O-CB 3.49Å; G166-L170 VanDerWaalsContact O-CG 3.31Å; G166-L170 WeakPolarHBondContact O-CG 3.45Å; G166-L170 PolarHBondContact O-N 3.04Å
167R97.7Very high95.1Very high171 Ų17199.5 Ų99.565%0.64553%0.533SS*.Hα-helixtrans-63.2-41.9173.9-170.4-173.8-59.4127.83.7111.9Q163 A164 N165 A171Q163-R167 WeakPolarHBondContact O-CB 3.32Å; Q163-R167 PolarHBondContact O-N 2.91Å; A164-R167 PolarHBondContact O-N 3.41Å; N165-R167 VanDerWaalsContact C-N 3.31Å; N165-R167 PolarHBondContact O-N 3.34Å; R167-A171 VanDerWaalsContact O-CB 3.23Å; R167-A171 WeakPolarHBondContact O-CB 3.23Å; R167-A171 PolarHBondContact O-N 2.98Å
168L96.6Very high95Very high93 Ų93100.6 Ų100.649%0.48753%0.53SS..Hα-helixtrans-66.2-43.8178.2-177.365.8000111.7A164 N165 A171 R172A164-L168 PolarHBondContact O-N 3.45Å; N165-L168 PolarHBondContact O-N 2.89Å; N165-L168 VanDerWaalsContact O-N 3.16Å; L168-A171 PolarHBondContact O-N 3.35Å; L168-R172 WeakPolarHBondContact O-CB 3.37Å; L168-R172 PolarHBondContact O-N 3.29Å
169E96.5Very high94.5Very high88 Ų88104.8 Ų104.841%0.41156%0.558SS.*Hα-helixtrans-60.6-46.9176.1-75.6177.7-168.600111.1R141 N165 G166 R172 A173R141-E169 IonicContact NH1-OE1 4Å; R141-E169 PolarHBondContact NH1-OE1 3.24Å; R141-E169 VanDerWaalsContact NH1-OE1 3.14Å; R141-E169 IonicContact NH2-OE1 3.65Å; N165-E169 VanDerWaalsContact ND2-CD 3.29Å; N165-E169 PolarHBondContact ND2-OE1 3.36Å; N165-E169 WeakPolarHBondContact O-CG 3.31Å; N165-E169 PolarHBondContact O-N 2.88Å; G166-E169 PolarHBondContact O-N 3.16Å; E169-R172 PolarHBondContact O-N 2.95Å; E169-A173 WeakPolarHBondContact O-CB 3.4Å; E169-A173 PolarHBondContact O-N 2.7Å
170L95.9Very high94.2Very high115 Ų115105.6 Ų105.660%0.60256%0.555SS**Hα-helixtrans-64.3-43.3176.2-71.6173.3000112.4G166 R172 A173 N174G166-L170 WeakPolarHBondContact O-CB 3.49Å; G166-L170 VanDerWaalsContact O-CG 3.31Å; G166-L170 WeakPolarHBondContact O-CG 3.45Å; G166-L170 PolarHBondContact O-N 3.04Å; L170-R172 VanDerWaalsContact C-N 3.25Å; L170-R172 PolarHBondContact O-N 3.4Å; L170-A173 PolarHBondContact O-N 2.92Å; L170-A173 VanDerWaalsContact O-N 3.16Å; L170-N174 PolarHBondContact O-N 3.16Å; L170-N174 PolarHBondContact O-OD1 2.95Å
171A95.3Very high93.9Very high66 Ų66112.3 Ų112.355%0.54559%0.585SS.*Hα-helixtrans-61.3-36.2176.700000112R167 L168R167-A171 VanDerWaalsContact O-CB 3.23Å; R167-A171 WeakPolarHBondContact O-CB 3.23Å; R167-A171 PolarHBondContact O-N 2.98Å; L168-A171 PolarHBondContact O-N 3.35Å
172R95.9Very high93.4Very high193 Ų193115.5 Ų115.573%0.72860%0.601SS**Hα-helixtrans-71.5-34.7175-177.2179.6-72.2147.1-2.8112.5L168 E169 L170L168-R172 WeakPolarHBondContact O-CB 3.37Å; L168-R172 PolarHBondContact O-N 3.29Å; E169-R172 PolarHBondContact O-N 2.95Å; L170-R172 VanDerWaalsContact C-N 3.25Å; L170-R172 PolarHBondContact O-N 3.4Å
173A97Very high92.7Very high75 Ų75122.3 Ų122.362%0.6263%0.626SS**Hα-helixtrans-84.5-21.8-176.800000114.1E169 L170 P175E169-A173 WeakPolarHBondContact O-CB 3.4Å; E169-A173 PolarHBondContact O-N 2.7Å; L170-A173 PolarHBondContact O-N 2.92Å; L170-A173 VanDerWaalsContact O-N 3.16Å; A173-P175 WeakPolarHBondContact O-CD 3.38Å
174N94.1Very high92.1Very high112 Ų112125 Ų12560%0.59964%0.635SS**SBendtrans-62.7119.9-178.9-80.5-12.1000111L170L170-N174 PolarHBondContact O-N 3.16Å; L170-N174 PolarHBondContact O-OD1 2.95Å
175P94Very high91.1Very high104 Ų104134.3 Ų134.368%0.67568%0.678SS**  trans-65.9145.4174.428.6-34000109.8A173 V177A173-P175 WeakPolarHBondContact O-CD 3.38Å; P175-V177 PolarHBondContact O-N 3.2Å; P175-V177 VanDerWaalsContact O-N 3.14Å
176E90.1Very high90.9Very high140 Ų140139.2 Ų139.265%0.65470%0.702SS**  trans-73.5109.7174.8-169.3177.5-158.400110.1R178E176-R178 VanDerWaalsContact CD-NH2 3.31Å; E176-R178 HydrophobicContact CG-CG 4.06Å; E176-R178 PolarHBondContact O-N 3.43Å; E176-R178 IonicContact OE1-CZ 3.03Å; E176-R178 IonicContact OE1-NE 2.69Å; E176-R178 PolarHBondContact OE1-NE 3.49Å; E176-R178 IonicContact OE1-NH2 2.66Å; E176-R178 PolarHBondContact OE1-NH2 3.14Å; E176-R178 IonicContact OE2-CZ 3.41Å; E176-R178 IonicContact OE2-NE 3.43Å; E176-R178 PolarHBondContact OE2-NE 2.66Å; E176-R178 IonicContact OE2-NH2 3.2Å; E176-R178 PolarHBondContact OE2-NH2 2.69Å
177V92.1Very high90.6Very high135 Ų135145.3 Ų145.382%0.81873%0.726SS**  trans-92.7100.7175.7-176.50000109P175P175-V177 PolarHBondContact O-N 3.2Å; P175-V177 VanDerWaalsContact O-N 3.14Å
178R88.6Confident90.2Very high193 Ų193143.8 Ų143.873%0.72873%0.73SS**  trans-109.4124169.1-68-175.1-177.4166.511.2110.1E176E176-R178 VanDerWaalsContact CD-NH2 3.31Å; E176-R178 HydrophobicContact CG-CG 4.06Å; E176-R178 PolarHBondContact O-N 3.43Å; E176-R178 IonicContact OE1-CZ 3.03Å; E176-R178 IonicContact OE1-NE 2.69Å; E176-R178 PolarHBondContact OE1-NE 3.49Å; E176-R178 IonicContact OE1-NH2 2.66Å; E176-R178 PolarHBondContact OE1-NH2 3.14Å; E176-R178 IonicContact OE2-CZ 3.41Å; E176-R178 IonicContact OE2-NE 3.43Å; E176-R178 PolarHBondContact OE2-NE 2.66Å; E176-R178 IonicContact OE2-NH2 3.2Å; E176-R178 PolarHBondContact OE2-NH2 2.69Å
179C86.3Confident89.8Confident116 Ų116146.8 Ų146.878%0.78475%0.745SS**PPolyproline II helixtrans-82.8144.5166.860.90000110.6
180P87.2Confident89.4Confident118 Ų118150.5 Ų150.577%0.76677%0.766SS**PPolyproline II helixtrans-65.9139172.826.2-32000110.5I182P180-I182 PolarHBondContact O-N 3.41Å
181K89.5Confident89Confident205 Ų205152.9 Ų152.989%0.89178%0.777SS**PPolyproline II helixtrans-64.8117176.2-173.8176.5-177.6178.40109.7R183K181-R183 PolarHBondContact O-N 3.21Å
182I85.1Confident88.5Confident160 Ų160159.1 Ų159.182%0.82179%0.793SS**PPolyproline II helixtrans-63128.5175.5-58.1170.8000108.9P180P180-I182 PolarHBondContact O-N 3.41Å
183R79.9Confident87.9Confident229 Ų229156.5 Ų156.586%0.86480%0.798SS**PPolyproline II helixtrans-78.1133.9170.5-66.7-175.8177.7-177.9-0.4108.4K181 L185K181-R183 PolarHBondContact O-N 3.21Å; R183-L185 PolarHBondContact O-N 3.34Å
184K82.2Confident87.2Confident210 Ų210163.3 Ų163.391%0.91381%0.813SS**PPolyproline II helixtrans-66.1123.3175.1-159.3171-177.2-179.70108.1
185L77.1Confident86.6Confident237 Ų237167.9 Ų167.9100%1.24183%0.832SS**  trans-70.20168.1-76.5160.2000110.2R183R183-L185 PolarHBondContact O-N 3.34Å

Retrieved 185 of 185 residues in 156.4 ms (Link to these results)