A0A087XJR4_POEFO Loading...

Ankyrin repeat and kinase domain containing 1

AlphaFold DB , UniProt , Accession A0A087XJR4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 757 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.1Very low43.8Very low236 Ų236115.5 Ų115.5100%1.16366%0.662SS**  092.60-86.1-178.5-177.200105.6C3M1-C3 PolarHBondContact O-N 3.44Å
2D29Very low47.1Very low156 Ų156112.4 Ų112.483%0.83463%0.631SS**  trans-74.9111.5-168.4-59.5-44.7000110.5C4D2-C4 PolarHBondContact O-N 3.37Å
3C27.2Very low50Low132 Ų132109 Ų10989%0.89261%0.611SS**  trans-8090167.7-80.50000108.5M1 D5M1-C3 PolarHBondContact O-N 3.44Å; C3-D5 PolarHBondContact O-N 3.3Å
4C36.5Very low52.6Low101 Ų101101.3 Ų101.368%0.68257%0.567SS**  trans-63.6126.3170.5-68.80000111.1D2 T6D2-C4 PolarHBondContact O-N 3.37Å; C4-T6 PolarHBondContact O-N 3.24Å
5D38.8Very low55Low166 Ų166103.3 Ų103.389%0.88857%0.567SS**  trans-39.4123.8159.4-79.9-45.3000111.7C3C3-D5 PolarHBondContact O-N 3.3Å
6T41.1Very low56.7Low76 Ų76106.9 Ų106.947%0.46657%0.57SS.*  trans-142.373.4179.7450000112.4C4 L41C4-T6 PolarHBondContact O-N 3.24Å; T6-L41 HydrophobicContact CG2-CD2 4.1Å
7S40.4Very low58.4Low93 Ų93108.1 Ų108.165%0.6558%0.577SS**  trans-77.2152.5162.558.10000111.1G9S7-G9 PolarHBondContact O-N 3.33Å
8P42.2Very low60Low63 Ų63104 Ų10441%0.40956%0.555SS.*THydrogen-bonded Turntrans-67.2103.8170.8-6.420.8000108.4W42P8-W42 HydrophobicContact CB-CD2 4.23Å; P8-W42 HydrophobicContact CB-CE3 4.48Å; P8-W42 HydrophobicContact CB-CH2 4.43Å; P8-W42 HydrophobicContact CB-CZ2 4.22Å; P8-W42 HydrophobicContact CG-CD2 4.39Å; P8-W42 HydrophobicContact CG-CG 4.35Å
9G50.1Low61.5Low28 Ų2898.7 Ų98.729%0.28953%0.526SS..THydrogen-bonded Turntrans169.3-10.6-178.500000117.8S7 K75S7-G9 PolarHBondContact O-N 3.33Å; G9-K75 PolarHBondContact O-NZ 3.3Å
10H64.6Low62.8Low166 Ų16697 Ų9777%0.76952%0.515SS*.SBendtrans-101.4133.4170.2-119.875.8000110R12H10-R12 PolarHBondContact O-N 3.13Å
11F77.8Confident63.7Low54 Ų5497.7 Ų97.724%0.23754%0.535CS..  trans-59.2121.3175.8-176.2-96.5000109.8L68 A72 I82 Y83 V85F11-L68 HydrophobicContact CE2-CB 4.01Å; F11-L68 HydrophobicContact CZ-CB 4.08Å; F11-A72 HydrophobicContact CB-CB 4.16Å; F11-A72 HydrophobicContact CD2-CB 3.43Å; F11-A72 VanDerWaalsContact CD2-CB 3.43Å; F11-A72 HydrophobicContact CE2-CB 4.2Å; F11-A72 HydrophobicContact CG-CB 4.19Å; F11-I82 HydrophobicContact CD2-CG2 4.47Å; F11-I82 HydrophobicContact CE2-CG2 4.18Å; F11-Y83 WeakPolarHBondContact CA-O 3.16Å; F11-V85 HydrophobicContact CE1-CG2 4.41Å; F11-V85 HydrophobicContact CE2-CG1 4.22Å; F11-V85 HydrophobicContact CZ-CG1 3.71Å; F11-V85 HydrophobicContact CZ-CG2 4.25Å
12R83.3Confident66.1Low78 Ų7893.2 Ų93.229%0.29451%0.511SS..EExtended strand (participates in β ladder)trans-122.3150.7-172.3-177.4172.4173.2-169.8-9.3112.6H10 F14 D18 Y83 G84 V85H10-R12 PolarHBondContact O-N 3.13Å; R12-F14 HydrophobicContact CB-CD2 4.38Å; R12-F14 HydrophobicContact CB-CE2 3.96Å; R12-F14 HydrophobicContact CB-CZ 4.19Å; R12-F14 HydrophobicContact CG-CE2 4.44Å; R12-D18 IonicContact CZ-OD1 3.83Å; R12-D18 IonicContact CZ-OD2 3.89Å; R12-D18 IonicContact NH2-OD1 3.34Å; R12-D18 PolarHBondContact NH2-OD1 3.12Å; R12-D18 IonicContact NH2-OD2 2.89Å; R12-D18 PolarHBondContact NH2-OD2 3.27Å; R12-D18 VanDerWaalsContact NH2-OD2 3.09Å; R12-Y83 PolarHBondContact N-O 3.35Å; R12-Y83 VanDerWaalsContact N-O 3.07Å; R12-G84 CarbonylContact O-C 3.55Å; R12-G84 WeakPolarHBondContact O-CA 3.42Å; R12-V85 PolarHBondContact O-N 3.45Å
13D85.3Confident69.1Low68 Ų6888.8 Ų88.836%0.36448%0.483SS..EExtended strand (participates in β ladder)trans-92.4110.6163.1-153.1-20.3000108.4K65 V85 S87D13-K65 IonicContact OD2-NZ 3.74Å; D13-K65 PolarHBondContact OD2-NZ 3.09Å; D13-V85 CarbonylContact C-O 3.47Å; D13-V85 WeakPolarHBondContact CA-O 3.43Å; D13-S87 VanDerWaalsContact CG-OG 3.29Å; D13-S87 WeakPolarHBondContact OD1-CB 3.48Å; D13-S87 PolarHBondContact OD1-N 2.98Å; D13-S87 PolarHBondContact OD1-OG 3.26Å; D13-S87 PolarHBondContact OD2-OG 3.4Å; D13-S87 VanDerWaalsContact OD2-OG 3.05Å
14F86.6Confident72Confident1 Ų186 Ų860%0.00446%0.458CS..EExtended strand (participates in β ladder)trans-87.7140.2179.8-67.2-91.5000110.4R12 D18 F19 V39 W42 V85 C86 V93R12-F14 HydrophobicContact CB-CD2 4.38Å; R12-F14 HydrophobicContact CB-CE2 3.96Å; R12-F14 HydrophobicContact CB-CZ 4.19Å; R12-F14 HydrophobicContact CG-CE2 4.44Å; F14-D18 WeakPolarHBondContact CA-OD2 3.49Å; F14-D18 HydrophobicContact CD1-CB 4.07Å; F14-F19 HydrophobicContact CB-CE2 3.81Å; F14-F19 HydrophobicContact CB-CZ 3.61Å; F14-F19 HydrophobicContact CD1-CE1 4.45Å; F14-F19 HydrophobicContact CD1-CZ 4.13Å; F14-F19 AromaticContact CG-CZ 3.92Å; F14-F19 HydrophobicContact CG-CZ 3.92Å; F14-V39 HydrophobicContact CD1-CG1 4.47Å; F14-V39 HydrophobicContact CE1-CG1 3.9Å; F14-V39 HydrophobicContact CE1-CG2 4.22Å; F14-W42 HydrophobicContact CE1-CH2 4.16Å; F14-W42 HydrophobicContact CE1-CZ3 4.34Å; F14-W42 AromaticContact CZ-CH2 3.53Å; F14-W42 HydrophobicContact CZ-CH2 3.53Å; F14-W42 HydrophobicContact CZ-CZ2 4.19Å; F14-W42 AromaticContact CZ-CZ3 3.87Å; F14-W42 HydrophobicContact CZ-CZ3 3.87Å; F14-V85 PolarHBondContact N-O 3.36Å; F14-C86 HydrophobicContact CB-CB 4.27Å; F14-C86 WeakPolarHBondContact O-CA 3.31Å; F14-C86 PolarHBondContact O-SG 2.75Å; F14-V93 HydrophobicContact CB-CG2 4.46Å; F14-V93 HydrophobicContact CD2-CB 4.05Å; F14-V93 HydrophobicContact CD2-CG2 3.56Å; F14-V93 HydrophobicContact CE2-CB 3.92Å; F14-V93 HydrophobicContact CE2-CG1 4.14Å; F14-V93 HydrophobicContact CE2-CG2 3.97Å; F14-V93 HydrophobicContact CG-CG2 4.1Å; F14-V93 HydrophobicContact CZ-CG1 4.41Å
15K87.4Confident74.5Confident131 Ų13185.6 Ų85.657%0.5745%0.445SS*.  trans-95.6160168-62.2-173.2178.5-176.40110D17 D18 F19K15-D17 PolarHBondContact O-N 3.11Å; K15-D18 PolarHBondContact N-OD2 2.65Å; K15-D18 VanDerWaalsContact O-CB 3.31Å; K15-D18 WeakPolarHBondContact O-CB 3.45Å; K15-D18 PolarHBondContact O-N 3.5Å; K15-F19 WeakPolarHBondContact O-CD2 3.27Å; K15-F19 WeakPolarHBondContact O-CE2 3.3Å
16R83.3Confident76.8Confident161 Ų16180.8 Ų80.861%0.60842%0.421SS*.G310 helixtrans-56.6-35.6177.1-173.6173.4-173.7157.51.6112.1D18 F19 W23 E88R16-D18 PolarHBondContact O-N 2.96Å; R16-F19 PolarHBondContact O-N 3.12Å; R16-W23 HydrophobicContact CG-CH2 4.38Å; R16-W23 HydrophobicContact CG-CZ2 4.04Å; R16-E88 WeakPolarHBondContact CB-OE2 3.44Å; R16-E88 PolarHBondContact N-OE2 3.27Å
17D85.7Confident78.7Confident128 Ų12879.5 Ų79.568%0.68442%0.418SS*.G310 helixtrans-68.6-15.3177.9-69.3-26.1000114.2K15 F19 K40K15-D17 PolarHBondContact O-N 3.11Å; D17-F19 PolarHBondContact O-N 2.91Å; D17-K40 WeakPolarHBondContact O-CD 3.44Å; D17-K40 WeakPolarHBondContact O-CE 3.42Å; D17-K40 PolarHBondContact O-NZ 3.22Å
18D87.1Confident80.6Confident34 Ų3481.4 Ų81.418%0.18242%0.417CS..G310 helixtrans-72-15.3173.6-70.8-49.8000112.2R12 F14 K15 R16 K40R12-D18 IonicContact CZ-OD1 3.83Å; R12-D18 IonicContact CZ-OD2 3.89Å; R12-D18 IonicContact NH2-OD1 3.34Å; R12-D18 PolarHBondContact NH2-OD1 3.12Å; R12-D18 IonicContact NH2-OD2 2.89Å; R12-D18 PolarHBondContact NH2-OD2 3.27Å; R12-D18 VanDerWaalsContact NH2-OD2 3.09Å; F14-D18 WeakPolarHBondContact CA-OD2 3.49Å; F14-D18 HydrophobicContact CD1-CB 4.07Å; K15-D18 PolarHBondContact N-OD2 2.65Å; K15-D18 VanDerWaalsContact O-CB 3.31Å; K15-D18 WeakPolarHBondContact O-CB 3.45Å; K15-D18 PolarHBondContact O-N 3.5Å; R16-D18 PolarHBondContact O-N 2.96Å; D18-K40 WeakPolarHBondContact O-CB 3.35Å; D18-K40 PolarHBondContact O-N 3.14Å
19F88.3Confident81.7Confident4 Ų480.6 Ų80.62%0.01842%0.419CS..BIsolated β-bridgetrans-101.4151.4178.8-52.5-79.6000111.9F14 K15 R16 D17 W23 V37 K38 V39 K40 C86 V93F14-F19 HydrophobicContact CB-CE2 3.81Å; F14-F19 HydrophobicContact CB-CZ 3.61Å; F14-F19 HydrophobicContact CD1-CE1 4.45Å; F14-F19 HydrophobicContact CD1-CZ 4.13Å; F14-F19 AromaticContact CG-CZ 3.92Å; F14-F19 HydrophobicContact CG-CZ 3.92Å; K15-F19 WeakPolarHBondContact O-CD2 3.27Å; K15-F19 WeakPolarHBondContact O-CE2 3.3Å; R16-F19 PolarHBondContact O-N 3.12Å; D17-F19 PolarHBondContact O-N 2.91Å; F19-W23 HydrophobicContact CB-CZ2 4.27Å; F19-W23 AromaticContact CD2-CZ2 3.81Å; F19-W23 HydrophobicContact CD2-CZ2 3.81Å; F19-W23 HydrophobicContact CE2-CZ2 4.48Å; F19-W23 HydrophobicContact CG-CZ2 4.19Å; F19-V37 HydrophobicContact CD1-CB 3.83Å; F19-V37 HydrophobicContact CD1-CG2 3.59Å; F19-V37 HydrophobicContact CE1-CB 4.39Å; F19-V37 HydrophobicContact CE1-CG2 3.68Å; F19-V37 HydrophobicContact CG-CB 4.46Å; F19-K38 CarbonylContact C-O 3.59Å; F19-K38 WeakPolarHBondContact CA-O 3.28Å; F19-V39 HydrophobicContact CD1-CG2 3.91Å; F19-V39 HydrophobicContact CE1-CG2 3.77Å; F19-K40 WeakPolarHBondContact O-CE 3.29Å; F19-K40 PolarHBondContact O-NZ 3.42Å; F19-C86 HydrophobicContact CE2-CB 4.35Å; F19-C86 HydrophobicContact CZ-CB 4.47Å; F19-V93 HydrophobicContact CE1-CG1 4.49Å; F19-V93 HydrophobicContact CE1-CG2 4.24Å; F19-V93 HydrophobicContact CZ-CG2 3.8Å
20E87.7Confident82.4Confident63 Ų6389.4 Ų89.429%0.29444%0.444SS..  trans-62.3154.9165.4-67.4-178.1-175.200110.4E22 W23 K38 K40E20-E22 PolarHBondContact O-N 3.05Å; E20-W23 PolarHBondContact O-NE1 2.89Å; E20-K38 HydrophobicContact CB-CB 4.26Å; E20-K38 VanDerWaalsContact CD-NZ 3.27Å; E20-K38 HydrophobicContact CG-CB 4.17Å; E20-K38 HydrophobicContact CG-CG 4.27Å; E20-K38 PolarHBondContact N-O 3.38Å; E20-K38 WeakPolarHBondContact OE1-CE 3.21Å; E20-K38 IonicContact OE1-NZ 3.67Å; E20-K38 PolarHBondContact OE1-NZ 3.31Å; E20-K38 WeakPolarHBondContact OE2-CD 3.43Å; E20-K38 IonicContact OE2-NZ 2.83Å; E20-K38 PolarHBondContact OE2-NZ 3.49Å; E20-K40 HydrophobicContact CG-CG 4Å
21A81.6Confident82.3Confident113 Ų11386.4 Ų86.493%0.93443%0.429SS*.SBendtrans-65.1-22.2-172.800000113.5
22E84.8Confident82.2Confident141 Ų14184.2 Ų84.266%0.65942%0.422SS*.  trans-89.1109.9-178.1-168179.4-175.300110.9E20 I24E20-E22 PolarHBondContact O-N 3.05Å; E22-I24 HydrophobicContact CG-CG1 4.16Å
23W91Very high82.2Confident64 Ų6482.1 Ų82.124%0.24242%0.415CS..  trans-110.4114.1172.8-69.217000108.7R16 F19 E20 Y35 V37 L48 A89R16-W23 HydrophobicContact CG-CH2 4.38Å; R16-W23 HydrophobicContact CG-CZ2 4.04Å; F19-W23 HydrophobicContact CB-CZ2 4.27Å; F19-W23 AromaticContact CD2-CZ2 3.81Å; F19-W23 HydrophobicContact CD2-CZ2 3.81Å; F19-W23 HydrophobicContact CE2-CZ2 4.48Å; F19-W23 HydrophobicContact CG-CZ2 4.19Å; E20-W23 PolarHBondContact O-NE1 2.89Å; W23-Y35 HydrophobicContact CB-CD1 4.22Å; W23-Y35 HydrophobicContact CE3-CG 4.42Å; W23-V37 HydrophobicContact CB-CG1 4.28Å; W23-V37 HydrophobicContact CD2-CG1 3.84Å; W23-V37 HydrophobicContact CE3-CG1 4.49Å; W23-V37 HydrophobicContact CG-CG1 3.71Å; W23-L48 HydrophobicContact CD2-CD2 4.46Å; W23-L48 HydrophobicContact CE3-CD2 3.93Å; W23-L48 HydrophobicContact CH2-CD2 3.48Å; W23-L48 VanDerWaalsContact CH2-CD2 3.48Å; W23-L48 HydrophobicContact CZ2-CD2 4.05Å; W23-L48 HydrophobicContact CZ3-CD2 3.41Å; W23-L48 VanDerWaalsContact CZ3-CD2 3.41Å; W23-A89 HydrophobicContact CH2-CB 3.94Å; W23-A89 HydrophobicContact CZ3-CB 4.2Å
24I89.3Confident82.3Confident72 Ų7280.6 Ų80.637%0.36941%0.408SS..EExtended strand (participates in β ladder)trans-96.7115.6-176.5-56.5171.9000108.3E22 V26 Y35 Q36E22-I24 HydrophobicContact CG-CG1 4.16Å; I24-V26 PolarHBondContact O-N 3.45Å; I24-Y35 CarbonylContact O-C 3.58Å; I24-Y35 VanDerWaalsContact O-CA 3.28Å; I24-Y35 WeakPolarHBondContact O-CA 3.13Å; I24-Q36 HydrophobicContact CB-CB 4.3Å; I24-Q36 PolarHBondContact N-O 3.27Å; I24-Q36 PolarHBondContact O-N 3.31Å
25K89.1Confident82.5Confident94 Ų9483 Ų8341%0.40942%0.417SS..EExtended strand (participates in β ladder)trans-68.3117.6176.4-166.9-176.7-169.4-1750109.5E28 H33 Y35K25-E28 IonicContact NZ-OE1 3.01Å; K25-E28 PolarHBondContact NZ-OE1 3.04Å; K25-E28 IonicContact NZ-OE2 3.89Å; K25-E28 PolarHBondContact NZ-OE2 3.28Å; K25-H33 WeakPolarHBondContact CE-CD2 3.36Å; K25-H33 PolarHBondContact NZ-CD2 3Å; K25-H33 VanDerWaalsContact NZ-CD2 3.27Å; K25-Y35 HydrophobicContact CB-CD1 3.94Å; K25-Y35 HydrophobicContact CB-CE1 3.82Å; K25-Y35 HydrophobicContact CG-CD1 4.33Å; K25-Y35 HydrophobicContact CG-CE1 3.96Å
26V85.8Confident82.8Confident65 Ų6578.3 Ų78.339%0.39440%0.397SS..EExtended strand (participates in β ladder)trans-107-25.2-177.8-66.90000113.3I24 V34 Q36 Y96I24-V26 PolarHBondContact O-N 3.45Å; V26-V34 HydrophobicContact CG2-CB 3.96Å; V26-V34 HydrophobicContact CG2-CG1 3.68Å; V26-V34 VanDerWaalsContact CG2-O 3.26Å; V26-V34 WeakPolarHBondContact CG2-O 3.5Å; V26-V34 PolarHBondContact N-O 2.93Å; V26-Q36 HydrophobicContact CG1-CB 3.76Å; V26-Y96 HydrophobicContact CG1-CE2 4.29Å
27A80.8Confident83.2Confident48 Ų4870.7 Ų70.740%0.39737%0.369SS..EExtended strand (participates in β ladder)trans-151.2155174.800000112.1V34A27-V34 HydrophobicContact CB-CB 4.07Å; A27-V34 HydrophobicContact CB-CG2 4.2Å; A27-V34 PolarHBondContact N-O 3.47Å; A27-V34 PolarHBondContact O-N 2.73Å
28E80Confident83.4Confident134 Ų13467.9 Ų67.963%0.62635%0.351SS*.EExtended strand (participates in β ladder)trans-132.8126174.7178.7155.1-136.300109.2K25 H33K25-E28 IonicContact NZ-OE1 3.01Å; K25-E28 PolarHBondContact NZ-OE1 3.04Å; K25-E28 IonicContact NZ-OE2 3.89Å; K25-E28 PolarHBondContact NZ-OE2 3.28Å; E28-H33 IonicContact OE1-CD2 2.68Å; E28-H33 PolarHBondContact OE1-CD2 2.7Å; E28-H33 VanDerWaalsContact OE1-CD2 3.31Å; E28-H33 IonicContact OE1-NE2 2.72Å; E28-H33 PolarHBondContact OE1-NE2 2.94Å
29G66.6Low83.3Confident45 Ų4566.2 Ų66.246%0.46434%0.342SS..EExtended strand (participates in β ladder)trans-125.9173.617600000111.3F31 G32G29-F31 PolarHBondContact O-N 3.32Å; G29-F31 VanDerWaalsContact O-N 3.07Å; G29-G32 PolarHBondContact N-O 2.96Å; G29-G32 PolarHBondContact O-N 3.29Å
30R63.5Low83.1Confident213 Ų21371.2 Ų71.280%0.80436%0.363SS*.THydrogen-bonded Turntrans-63.3-11.4178.1-113.4-173.1-157.7172.64.4115.4
31F62.9Low82.7Confident104 Ų10472.2 Ų72.246%0.45637%0.371SS..THydrogen-bonded Turntrans-124.913-172.1-62.5-81000112.3G29 F51 A180 R181G29-F31 PolarHBondContact O-N 3.32Å; G29-F31 VanDerWaalsContact O-N 3.07Å; F31-F51 WeakPolarHBondContact O-CA 3.39Å; F31-A180 WeakPolarHBondContact CE2-O 3.49Å; F31-A180 HydrophobicContact CZ-CB 4Å; F31-A180 VanDerWaalsContact CZ-O 3.22Å; F31-A180 WeakPolarHBondContact CZ-O 3.26Å; F31-R181 HydrophobicContact CE2-CG 4.03Å; F31-R181 HydrophobicContact CZ-CG 4.14Å
32G75.3Confident82.5Confident8 Ų868.5 Ų68.58%0.08233%0.332CS..EExtended strand (participates in β ladder)trans135.6-167.4176.500000114.2G29 T50 D52G29-G32 PolarHBondContact N-O 2.96Å; G29-G32 PolarHBondContact O-N 3.29Å; G32-T50 VanDerWaalsContact CA-O 3.31Å; G32-T50 WeakPolarHBondContact CA-O 3.33Å; G32-D52 PolarHBondContact N-OD2 3.27Å
33H84.8Confident82.2Confident34 Ų3471.4 Ų71.416%0.15734%0.337CS..EExtended strand (participates in β ladder)trans-119.9151.7-169.6-53.6100.1000110.9K25 E28 Y35 K49 T50 D52K25-H33 WeakPolarHBondContact CE-CD2 3.36Å; K25-H33 PolarHBondContact NZ-CD2 3Å; K25-H33 VanDerWaalsContact NZ-CD2 3.27Å; E28-H33 IonicContact OE1-CD2 2.68Å; E28-H33 PolarHBondContact OE1-CD2 2.7Å; E28-H33 VanDerWaalsContact OE1-CD2 3.31Å; E28-H33 IonicContact OE1-NE2 2.72Å; E28-H33 PolarHBondContact OE1-NE2 2.94Å; H33-Y35 HydrophobicContact CB-CD2 4.24Å; H33-Y35 HydrophobicContact CB-CE2 3.45Å; H33-Y35 VanDerWaalsContact CB-CE2 3.45Å; H33-K49 CarbonylContact O-C 3.58Å; H33-K49 WeakPolarHBondContact O-CA 3.18Å; H33-T50 PolarHBondContact N-O 3.18Å; H33-T50 PolarHBondContact O-N 3.12Å; H33-T50 PolarHBondContact O-OG1 3.12Å; H33-D52 IonicContact CE1-OD1 3.84Å
34V87.3Confident81.6Confident36 Ų3673.1 Ų73.122%0.21835%0.348CS..EExtended strand (participates in β ladder)trans-114.6124.9170.8-171.90000108V26 A27 A47 L48 K49V26-V34 HydrophobicContact CG2-CB 3.96Å; V26-V34 HydrophobicContact CG2-CG1 3.68Å; V26-V34 VanDerWaalsContact CG2-O 3.26Å; V26-V34 WeakPolarHBondContact CG2-O 3.5Å; V26-V34 PolarHBondContact N-O 2.93Å; A27-V34 HydrophobicContact CB-CB 4.07Å; A27-V34 HydrophobicContact CB-CG2 4.2Å; A27-V34 PolarHBondContact N-O 3.47Å; A27-V34 PolarHBondContact O-N 2.73Å; V34-A47 HydrophobicContact CG1-CB 4.18Å; V34-L48 WeakPolarHBondContact CA-O 3.42Å; V34-K49 HydrophobicContact CG2-CB 4.4Å; V34-K49 HydrophobicContact CG2-CG 4.17Å
35Y90.7Very high81.6Confident51 Ų5175.6 Ų75.620%0.236%0.356CS..EExtended strand (participates in β ladder)trans-111.7135.6175.8-59.3-88.2000109.6W23 I24 K25 H33 A47 L48 T50W23-Y35 HydrophobicContact CB-CD1 4.22Å; W23-Y35 HydrophobicContact CE3-CG 4.42Å; I24-Y35 CarbonylContact O-C 3.58Å; I24-Y35 VanDerWaalsContact O-CA 3.28Å; I24-Y35 WeakPolarHBondContact O-CA 3.13Å; K25-Y35 HydrophobicContact CB-CD1 3.94Å; K25-Y35 HydrophobicContact CB-CE1 3.82Å; K25-Y35 HydrophobicContact CG-CD1 4.33Å; K25-Y35 HydrophobicContact CG-CE1 3.96Å; H33-Y35 HydrophobicContact CB-CD2 4.24Å; H33-Y35 HydrophobicContact CB-CE2 3.45Å; H33-Y35 VanDerWaalsContact CB-CE2 3.45Å; Y35-A47 CarbonylContact O-C 3.05Å; Y35-A47 WeakPolarHBondContact O-CA 3.38Å; Y35-L48 PolarHBondContact N-O 3.33Å; Y35-L48 PolarHBondContact O-N 3.16Å; Y35-T50 HydrophobicContact CD2-CG2 4.07Å; Y35-T50 HydrophobicContact CE2-CG2 4.02Å
36Q92.4Very high81.7Confident32 Ų3271.1 Ų71.115%0.1534%0.337CS..EExtended strand (participates in β ladder)trans-75.9121.2158.7-177.7-167.1-48.300107.5I24 V26 Y96I24-Q36 HydrophobicContact CB-CB 4.3Å; I24-Q36 PolarHBondContact N-O 3.27Å; I24-Q36 PolarHBondContact O-N 3.31Å; V26-Q36 HydrophobicContact CG1-CB 3.76Å; Q36-Y96 HydrophobicContact CB-CD2 4.17Å; Q36-Y96 HydrophobicContact CB-CE2 3.72Å; Q36-Y96 HydrophobicContact CG-CD2 3.97Å; Q36-Y96 HydrophobicContact CG-CE2 3.73Å; Q36-Y96 HydrophobicContact CG-CG 4.49Å; Q36-Y96 PolarHBondContact OE1-OH 3.46Å
37V92.2Very high82Confident2 Ų268.5 Ų68.51%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-125157.5179.1-61.90000109.2F19 W23 K45 C46 L48F19-V37 HydrophobicContact CD1-CB 3.83Å; F19-V37 HydrophobicContact CD1-CG2 3.59Å; F19-V37 HydrophobicContact CE1-CB 4.39Å; F19-V37 HydrophobicContact CE1-CG2 3.68Å; F19-V37 HydrophobicContact CG-CB 4.46Å; W23-V37 HydrophobicContact CB-CG1 4.28Å; W23-V37 HydrophobicContact CD2-CG1 3.84Å; W23-V37 HydrophobicContact CE3-CG1 4.49Å; W23-V37 HydrophobicContact CG-CG1 3.71Å; V37-K45 WeakPolarHBondContact O-CA 3.35Å; V37-C46 HydrophobicContact CG2-CB 4.15Å; V37-C46 PolarHBondContact N-O 3.34Å; V37-C46 PolarHBondContact O-N 3.14Å; V37-C46 VanDerWaalsContact O-O 3.13Å; V37-L48 HydrophobicContact CG1-CB 3.83Å; V37-L48 HydrophobicContact CG1-CD2 4.17Å; V37-L48 HydrophobicContact CG2-CB 3.85Å
38K89.8Confident82.5Confident68 Ų6866.2 Ų66.230%0.29630%0.303SS..EExtended strand (participates in β ladder)trans-117.3118.8174.1-174.7153.1162.4-107.90109.3F19 E20 K40 R43 E44F19-K38 CarbonylContact C-O 3.59Å; F19-K38 WeakPolarHBondContact CA-O 3.28Å; E20-K38 HydrophobicContact CB-CB 4.26Å; E20-K38 VanDerWaalsContact CD-NZ 3.27Å; E20-K38 HydrophobicContact CG-CB 4.17Å; E20-K38 HydrophobicContact CG-CG 4.27Å; E20-K38 PolarHBondContact N-O 3.38Å; E20-K38 WeakPolarHBondContact OE1-CE 3.21Å; E20-K38 IonicContact OE1-NZ 3.67Å; E20-K38 PolarHBondContact OE1-NZ 3.31Å; E20-K38 WeakPolarHBondContact OE2-CD 3.43Å; E20-K38 IonicContact OE2-NZ 2.83Å; E20-K38 PolarHBondContact OE2-NZ 3.49Å; K38-K40 PolarHBondContact O-N 3.19Å; K38-R43 VanDerWaalsContact CE-O 3.31Å; K38-R43 WeakPolarHBondContact CE-O 3.46Å; K38-E44 WeakPolarHBondContact CA-O 3.41Å
39V86.4Confident82.9Confident0 Ų062.5 Ų62.50%028%0.284CS..EExtended strand (participates in β ladder)trans-78.2120.2179.9178.30000108.1F14 F19 L41 W42 R43 E44 C46F14-V39 HydrophobicContact CD1-CG1 4.47Å; F14-V39 HydrophobicContact CE1-CG1 3.9Å; F14-V39 HydrophobicContact CE1-CG2 4.22Å; F19-V39 HydrophobicContact CD1-CG2 3.91Å; F19-V39 HydrophobicContact CE1-CG2 3.77Å; V39-L41 HydrophobicContact CG1-CB 4.29Å; V39-L41 PolarHBondContact O-N 3.46Å; V39-W42 HydrophobicContact CB-CD2 4.42Å; V39-W42 HydrophobicContact CB-CE3 4.06Å; V39-W42 HydrophobicContact CG1-CD2 4.03Å; V39-W42 HydrophobicContact CG1-CE3 4.02Å; V39-W42 HydrophobicContact CG1-CG 4.28Å; V39-W42 HydrophobicContact CG2-CE3 4.14Å; V39-W42 HydrophobicContact CG2-CZ3 4.48Å; V39-W42 PolarHBondContact O-N 3.3Å; V39-W42 VanDerWaalsContact O-N 3.17Å; V39-R43 PolarHBondContact O-N 3.4Å; V39-E44 PolarHBondContact N-O 2.78Å; V39-C46 HydrophobicContact CG2-CB 4.31Å
40K83.4Confident83.8Confident108 Ų10861 Ų6147%0.4727%0.266SS..THydrogen-bonded Turntrans-56-39.2-174.8-73.3178.7-179.8151.90112.8D17 D18 F19 E20 K38D17-K40 WeakPolarHBondContact O-CD 3.44Å; D17-K40 WeakPolarHBondContact O-CE 3.42Å; D17-K40 PolarHBondContact O-NZ 3.22Å; D18-K40 WeakPolarHBondContact O-CB 3.35Å; D18-K40 PolarHBondContact O-N 3.14Å; F19-K40 WeakPolarHBondContact O-CE 3.29Å; F19-K40 PolarHBondContact O-NZ 3.42Å; E20-K40 HydrophobicContact CG-CG 4Å; K38-K40 PolarHBondContact O-N 3.19Å
41L78.1Confident84.5Confident85 Ų8552.1 Ų52.145%0.44523%0.234SC..THydrogen-bonded Turntrans-66.1-38.7-177.8-172.865.2000112.6T6 V39T6-L41 HydrophobicContact CG2-CD2 4.1Å; V39-L41 HydrophobicContact CG1-CB 4.29Å; V39-L41 PolarHBondContact O-N 3.46Å
42W77.9Confident84.8Confident35 Ų3550 Ų5013%0.13323%0.227CC..THydrogen-bonded Turntrans-98.1-20.7-174-56.7-26.2000113P8 F14 V39 E44 Y83P8-W42 HydrophobicContact CB-CD2 4.23Å; P8-W42 HydrophobicContact CB-CE3 4.48Å; P8-W42 HydrophobicContact CB-CH2 4.43Å; P8-W42 HydrophobicContact CB-CZ2 4.22Å; P8-W42 HydrophobicContact CG-CD2 4.39Å; P8-W42 HydrophobicContact CG-CG 4.35Å; F14-W42 HydrophobicContact CE1-CH2 4.16Å; F14-W42 HydrophobicContact CE1-CZ3 4.34Å; F14-W42 AromaticContact CZ-CH2 3.53Å; F14-W42 HydrophobicContact CZ-CH2 3.53Å; F14-W42 HydrophobicContact CZ-CZ2 4.19Å; F14-W42 AromaticContact CZ-CZ3 3.87Å; F14-W42 HydrophobicContact CZ-CZ3 3.87Å; V39-W42 HydrophobicContact CB-CD2 4.42Å; V39-W42 HydrophobicContact CB-CE3 4.06Å; V39-W42 HydrophobicContact CG1-CD2 4.03Å; V39-W42 HydrophobicContact CG1-CE3 4.02Å; V39-W42 HydrophobicContact CG1-CG 4.28Å; V39-W42 HydrophobicContact CG2-CE3 4.14Å; V39-W42 HydrophobicContact CG2-CZ3 4.48Å; V39-W42 PolarHBondContact O-N 3.3Å; V39-W42 VanDerWaalsContact O-N 3.17Å; W42-E44 HydrophobicContact CB-CB 4.27Å; W42-E44 HydrophobicContact CB-CG 4.48Å; W42-E44 PolarHBondContact O-N 2.78Å; W42-E44 VanDerWaalsContact O-N 3.15Å; W42-Y83 HydrophobicContact CH2-CG 4.16Å; W42-Y83 HydrophobicContact CZ3-CD1 4.47Å; W42-Y83 AromaticContact CZ3-CD2 3.88Å; W42-Y83 HydrophobicContact CZ3-CD2 3.88Å; W42-Y83 HydrophobicContact CZ3-CE2 4.48Å; W42-Y83 AromaticContact CZ3-CG 3.88Å; W42-Y83 HydrophobicContact CZ3-CG 3.88Å
43R78.8Confident83.8Confident201 Ų20153.6 Ų53.676%0.75826%0.256SS*.THydrogen-bonded Turntrans56.120.3-170.6-55.5-177.1175.4-169-1.5113.4K38 V39K38-R43 VanDerWaalsContact CE-O 3.31Å; K38-R43 WeakPolarHBondContact CE-O 3.46Å; V39-R43 PolarHBondContact O-N 3.4Å
44E79.4Confident82.4Confident100 Ų10055.9 Ų55.947%0.46727%0.273SS..EExtended strand (participates in β ladder)trans-103.6152.8179-72.1-176.9172.900111.5K38 V39 W42K38-E44 WeakPolarHBondContact CA-O 3.41Å; V39-E44 PolarHBondContact N-O 2.78Å; W42-E44 HydrophobicContact CB-CB 4.27Å; W42-E44 HydrophobicContact CB-CG 4.48Å; W42-E44 PolarHBondContact O-N 2.78Å; W42-E44 VanDerWaalsContact O-N 3.15Å
45K88.8Confident80.4Confident125 Ų12559 Ų5954%0.54330%0.296SS..EExtended strand (participates in β ladder)trans-79127.9173.9-66.5178178.4-178.10109.2V37 Y96V37-K45 WeakPolarHBondContact O-CA 3.35Å; K45-Y96 HydrophobicContact CB-CD1 4.36Å; K45-Y96 HydrophobicContact CB-CG 4.43Å; K45-Y96 WeakPolarHBondContact O-CB 3.41Å
46C91.3Very high78.5Confident0 Ų061 Ų610%032%0.317CS..EExtended strand (participates in β ladder)trans-122.7160.7174-57.20000109.8V37 V39 V93 T94V37-C46 HydrophobicContact CG2-CB 4.15Å; V37-C46 PolarHBondContact N-O 3.34Å; V37-C46 PolarHBondContact O-N 3.14Å; V37-C46 VanDerWaalsContact O-O 3.13Å; V39-C46 HydrophobicContact CG2-CB 4.31Å; C46-V93 HydrophobicContact CB-CG1 3.9Å; C46-T94 WeakPolarHBondContact CB-O 3.42Å
47A91.9Very high76.4Confident9 Ų960.2 Ų60.27%0.07432%0.316CS..EExtended strand (participates in β ladder)trans-97127.4168.100000109.1V34 Y35 V93 T94 Y96V34-A47 HydrophobicContact CG1-CB 4.18Å; Y35-A47 CarbonylContact O-C 3.05Å; Y35-A47 WeakPolarHBondContact O-CA 3.38Å; A47-V93 WeakPolarHBondContact O-CA 3.49Å; A47-T94 PolarHBondContact N-O 3.48Å; A47-T94 PolarHBondContact O-N 2.65Å; A47-Y96 HydrophobicContact CB-CD2 4.18Å
48L90.6Very high74.5Confident0 Ų063 Ų630%033%0.331CS..EExtended strand (participates in β ladder)trans-103.9108.6168.6175.766.1000108.3W23 V34 Y35 V37 T50 C86 A89 V92 V93W23-L48 HydrophobicContact CD2-CD2 4.46Å; W23-L48 HydrophobicContact CE3-CD2 3.93Å; W23-L48 HydrophobicContact CH2-CD2 3.48Å; W23-L48 VanDerWaalsContact CH2-CD2 3.48Å; W23-L48 HydrophobicContact CZ2-CD2 4.05Å; W23-L48 HydrophobicContact CZ3-CD2 3.41Å; W23-L48 VanDerWaalsContact CZ3-CD2 3.41Å; V34-L48 WeakPolarHBondContact CA-O 3.42Å; Y35-L48 PolarHBondContact N-O 3.33Å; Y35-L48 PolarHBondContact O-N 3.16Å; V37-L48 HydrophobicContact CG1-CB 3.83Å; V37-L48 HydrophobicContact CG1-CD2 4.17Å; V37-L48 HydrophobicContact CG2-CB 3.85Å; L48-T50 HydrophobicContact CD2-CG2 4.13Å; L48-T50 HydrophobicContact CG-CG2 3.97Å; L48-C86 HydrophobicContact CD1-CB 3.93Å; L48-A89 HydrophobicContact CD2-CB 4.19Å; L48-V92 WeakPolarHBondContact CA-O 3.25Å; L48-V93 HydrophobicContact CD1-CG2 3.97Å
49K88.1Confident72.9Confident56 Ų5663.9 Ų63.924%0.24334%0.339CS..EExtended strand (participates in β ladder)trans-95.3105.2175.2-177.7170.6-178.1171.50109.2H33 V34 G91 V92 D159H33-K49 CarbonylContact O-C 3.58Å; H33-K49 WeakPolarHBondContact O-CA 3.18Å; V34-K49 HydrophobicContact CG2-CB 4.4Å; V34-K49 HydrophobicContact CG2-CG 4.17Å; K49-G91 CarbonylContact O-C 3.52Å; K49-G91 WeakPolarHBondContact O-CA 3.39Å; K49-V92 PolarHBondContact N-O 3.37Å; K49-V92 PolarHBondContact O-N 2.74Å; K49-D159 IonicContact NZ-OD1 3.89Å; K49-D159 PolarHBondContact NZ-OD1 3.06Å; K49-D159 IonicContact NZ-OD2 3.09Å; K49-D159 PolarHBondContact NZ-OD2 3.23Å
50T86Confident71.5Confident14 Ų1466.6 Ų66.69%0.08635%0.351CS..EExtended strand (participates in β ladder)trans-89.3149.9178.462.80000110.3G32 H33 Y35 L48 A89G32-T50 VanDerWaalsContact CA-O 3.31Å; G32-T50 WeakPolarHBondContact CA-O 3.33Å; H33-T50 PolarHBondContact N-O 3.18Å; H33-T50 PolarHBondContact O-N 3.12Å; H33-T50 PolarHBondContact O-OG1 3.12Å; Y35-T50 HydrophobicContact CD2-CG2 4.07Å; Y35-T50 HydrophobicContact CE2-CG2 4.02Å; L48-T50 HydrophobicContact CD2-CG2 4.13Å; L48-T50 HydrophobicContact CG-CG2 3.97Å; T50-A89 HydrophobicContact CG2-CB 4.29Å; T50-A89 WeakPolarHBondContact CG2-O 3.46Å
51F78.8Confident70.4Confident26 Ų2662.2 Ų62.211%0.11433%0.332CS..  trans-108.7142.6172.7-53.2-75.3000110F31 A53 Y61 T90 V92F31-F51 WeakPolarHBondContact O-CA 3.39Å; F51-A53 PolarHBondContact O-N 3.43Å; F51-Y61 HydrophobicContact CD2-CD2 4.18Å; F51-Y61 HydrophobicContact CE2-CD2 4.33Å; F51-T90 WeakPolarHBondContact CD2-O 3.46Å; F51-T90 PolarHBondContact N-O 3.13Å; F51-T90 PolarHBondContact O-OG1 2.98Å; F51-V92 HydrophobicContact CE2-CG2 3.77Å; F51-V92 HydrophobicContact CZ-CG2 3.99Å
52D68.7Low69.6Low61 Ų6166.1 Ų66.133%0.32634%0.34SS..  trans-63.4131.5-178.8-66.1-39.9000111.4G32 H33 T54 A57G32-D52 PolarHBondContact N-OD2 3.27Å; H33-D52 IonicContact CE1-OD1 3.84Å; D52-T54 PolarHBondContact O-N 2.95Å; D52-A57 WeakPolarHBondContact O-CB 3.24Å
53A54.4Low68.8Low83 Ų8371.9 Ų71.969%0.68637%0.367SS*.  trans-71.551.5-171.800000114.8F51F51-A53 PolarHBondContact O-N 3.43Å
54T55.6Low68.1Low82 Ų8262.7 Ų62.750%0.50333%0.332SS..  trans-83.9151.4168.460.80000110.3D52 S56 A57 N58D52-T54 PolarHBondContact O-N 2.95Å; T54-S56 PolarHBondContact O-N 3.46Å; T54-A57 WeakPolarHBondContact O-CB 3.27Å; T54-A57 PolarHBondContact O-N 3Å; T54-N58 PolarHBondContact O-N 2.92Å; T54-N58 VanDerWaalsContact O-N 3.17Å
55S45.6Very low67.7Low102 Ų10261 Ų6171%0.71332%0.323SS*.Hα-helixtrans-50.4-33.3177.8173.60000113.2
56S50.9Low66.8Low92 Ų9260.5 Ų60.564%0.64333%0.327SS*.Hα-helixtrans-67.4-44173.5177.30000113.3T54 N58 N59 F60T54-S56 PolarHBondContact O-N 3.46Å; S56-N58 PolarHBondContact O-N 3.35Å; S56-N59 PolarHBondContact O-N 3.4Å; S56-F60 WeakPolarHBondContact O-CB 3.37Å; S56-F60 PolarHBondContact O-N 3.07Å
57A48.8Very low65.7Low16 Ų1662.3 Ų62.313%0.13234%0.342CS..Hα-helixtrans-68.3-34.2-179.100000112.9D52 T54 F60 Y61D52-A57 WeakPolarHBondContact O-CB 3.24Å; T54-A57 WeakPolarHBondContact O-CB 3.27Å; T54-A57 PolarHBondContact O-N 3Å; A57-F60 PolarHBondContact O-N 3.09Å; A57-Y61 VanDerWaalsContact O-CB 3.26Å; A57-Y61 WeakPolarHBondContact O-CB 3.43Å; A57-Y61 PolarHBondContact O-N 3.33Å
58N51.7Low64.9Low60 Ų6062.1 Ų62.132%0.32134%0.34SS..Hα-helixtrans-68.7-32.5176.2-83.8-15.1000113.3T54 S56 R62T54-N58 PolarHBondContact O-N 2.92Å; T54-N58 VanDerWaalsContact O-N 3.17Å; S56-N58 PolarHBondContact O-N 3.35Å; N58-R62 PolarHBondContact O-N 3.38Å; N58-R62 PolarHBondContact O-NE 3.08Å
59N55.7Low64.2Low86 Ų8663.8 Ų63.846%0.4635%0.351SS..Hα-helixtrans-76.7-37.4172.1-84.2-13.6000111.7S56 R62 K63S56-N59 PolarHBondContact O-N 3.4Å; N59-R62 PolarHBondContact OD1-NH2 3.45Å; N59-K63 PolarHBondContact O-N 3.36Å; N59-K63 VanDerWaalsContact O-N 3.12Å
60F56.3Low63.6Low57 Ų5766.3 Ų66.325%0.2537%0.366CS..Hα-helixtrans-60.2-49.8173-179.5-97.9000111.3S56 A57 R62 K63 T64 L162 R181S56-F60 WeakPolarHBondContact O-CB 3.37Å; S56-F60 PolarHBondContact O-N 3.07Å; A57-F60 PolarHBondContact O-N 3.09Å; F60-R62 PolarHBondContact O-N 3.25Å; F60-K63 PolarHBondContact O-N 3.19Å; F60-T64 HydrophobicContact CE1-CG2 4.16Å; F60-T64 HydrophobicContact CE2-CG2 4.15Å; F60-T64 HydrophobicContact CZ-CG2 3.87Å; F60-T64 WeakPolarHBondContact O-CB 3.42Å; F60-T64 PolarHBondContact O-N 3.39Å; F60-T64 PolarHBondContact O-OG1 2.91Å; F60-L162 HydrophobicContact CZ-CB 4.47Å; F60-L162 HydrophobicContact CZ-CD2 4.36Å; F60-R181 VanDerWaalsContact CZ-NH2 3.33Å
61Y60.8Low63.2Low16 Ų1666.5 Ų66.56%0.06337%0.366CS..Hα-helixtrans-59.7-43.9179.2178.4-99000112.7F51 A57 T64 K65 V85 C86 S87F51-Y61 HydrophobicContact CD2-CD2 4.18Å; F51-Y61 HydrophobicContact CE2-CD2 4.33Å; A57-Y61 VanDerWaalsContact O-CB 3.26Å; A57-Y61 WeakPolarHBondContact O-CB 3.43Å; A57-Y61 PolarHBondContact O-N 3.33Å; Y61-T64 WeakPolarHBondContact CA-OG1 3.47Å; Y61-T64 PolarHBondContact O-N 3.16Å; Y61-T64 PolarHBondContact O-OG1 3.09Å; Y61-K65 PolarHBondContact O-N 3.5Å; Y61-V85 HydrophobicContact CE2-CB 4.3Å; Y61-V85 HydrophobicContact CE2-CG1 4.49Å; Y61-V85 WeakPolarHBondContact OH-CB 3.48Å; Y61-C86 VanDerWaalsContact OH-C 3.23Å; Y61-C86 PolarHBondContact OH-O 2.89Å; Y61-S87 WeakPolarHBondContact OH-CA 3.25Å; Y61-S87 PolarHBondContact OH-N 2.99Å
62R61.1Low63.2Low167 Ų16765.9 Ų65.963%0.6337%0.366SS*.Hα-helixtrans-64.9-43.1176.5-92.1-176.8-76.9166.4-4.8112.8N58 N59 F60N58-R62 PolarHBondContact O-N 3.38Å; N58-R62 PolarHBondContact O-NE 3.08Å; N59-R62 PolarHBondContact OD1-NH2 3.45Å; F60-R62 PolarHBondContact O-N 3.25Å
63K62.5Low63.8Low157 Ų15770.8 Ų70.868%0.68339%0.385SS*.Hα-helixtrans-68.3-32.8176.3-76.3-173.3173.8-169.90113N59 F60N59-K63 PolarHBondContact O-N 3.36Å; N59-K63 VanDerWaalsContact O-N 3.12Å; F60-K63 PolarHBondContact O-N 3.19Å
64T63.8Low64.9Low7 Ų768.8 Ų68.84%0.04336%0.362CS..Hα-helixtrans-83.8-16.7-179.135.30000114F60 Y61 D66 A67 L68 L162F60-T64 HydrophobicContact CE1-CG2 4.16Å; F60-T64 HydrophobicContact CE2-CG2 4.15Å; F60-T64 HydrophobicContact CZ-CG2 3.87Å; F60-T64 WeakPolarHBondContact O-CB 3.42Å; F60-T64 PolarHBondContact O-N 3.39Å; F60-T64 PolarHBondContact O-OG1 2.91Å; Y61-T64 WeakPolarHBondContact CA-OG1 3.47Å; Y61-T64 PolarHBondContact O-N 3.16Å; Y61-T64 PolarHBondContact O-OG1 3.09Å; T64-D66 VanDerWaalsContact C-N 3.32Å; T64-D66 PolarHBondContact O-N 3.24Å; T64-A67 PolarHBondContact O-N 3.47Å; T64-L68 VanDerWaalsContact O-CB 3.3Å; T64-L68 WeakPolarHBondContact O-CB 3.42Å; T64-L68 WeakPolarHBondContact O-CG 3.4Å; T64-L68 PolarHBondContact O-N 3.33Å; T64-L162 HydrophobicContact CG2-CD2 4.48Å
65K71.1Confident66.2Low64 Ų6471.6 Ų71.628%0.27837%0.368SS..Hα-helixtrans-55.7-45.2178.9-175.6172.4-178.8170.80112.5D13 Y61 L68 S69 V85D13-K65 IonicContact OD2-NZ 3.74Å; D13-K65 PolarHBondContact OD2-NZ 3.09Å; Y61-K65 PolarHBondContact O-N 3.5Å; K65-L68 PolarHBondContact O-N 3.47Å; K65-S69 PolarHBondContact O-N 3.26Å; K65-V85 HydrophobicContact CD-CG2 4.22Å; K65-V85 HydrophobicContact CG-CG2 4.25Å
66D68Low68.2Low116 Ų11669.8 Ų69.862%0.6235%0.347SS*.Hα-helixtrans-68.4-42.4179.9-64.1-22.6000111.3T64 L68 S69 I70T64-D66 VanDerWaalsContact C-N 3.32Å; T64-D66 PolarHBondContact O-N 3.24Å; D66-L68 PolarHBondContact O-N 2.86Å; D66-S69 WeakPolarHBondContact O-CB 3.41Å; D66-S69 PolarHBondContact O-N 3.1Å; D66-S69 PolarHBondContact O-OG 2.91Å; D66-I70 PolarHBondContact O-N 3.26Å
67A69.4Low70Confident38 Ų3871.1 Ų71.131%0.31434%0.341SS..Hα-helixtrans-62.6-41.5174.900000112.2T64 S69 I70 I71T64-A67 PolarHBondContact O-N 3.47Å; A67-S69 VanDerWaalsContact C-N 3.28Å; A67-S69 PolarHBondContact O-N 3.4Å; A67-I70 PolarHBondContact O-N 3.22Å; A67-I71 VanDerWaalsContact O-CG1 3.28Å; A67-I71 WeakPolarHBondContact O-CG1 3.38Å; A67-I71 PolarHBondContact O-N 3.43Å
68L75.6Confident72.2Confident5 Ų571.8 Ų71.83%0.02634%0.34CS..Hα-helixtrans-64.3-33.1176.3-73.2168.9000111.8F11 T64 K65 D66 I70 I71 A72 I82 V85 V92 L162F11-L68 HydrophobicContact CE2-CB 4.01Å; F11-L68 HydrophobicContact CZ-CB 4.08Å; T64-L68 VanDerWaalsContact O-CB 3.3Å; T64-L68 WeakPolarHBondContact O-CB 3.42Å; T64-L68 WeakPolarHBondContact O-CG 3.4Å; T64-L68 PolarHBondContact O-N 3.33Å; K65-L68 PolarHBondContact O-N 3.47Å; D66-L68 PolarHBondContact O-N 2.86Å; L68-I70 VanDerWaalsContact C-N 3.33Å; L68-I71 PolarHBondContact O-N 2.92Å; L68-A72 WeakPolarHBondContact O-CB 3.32Å; L68-A72 PolarHBondContact O-N 2.9Å; L68-I82 HydrophobicContact CD2-CD1 3.72Å; L68-V85 HydrophobicContact CD1-CG1 4.05Å; L68-V92 HydrophobicContact CD1-CG2 3.66Å; L68-L162 HydrophobicContact CD2-CD2 4.45Å
69S75.5Confident74.1Confident34 Ų3469 Ų6924%0.23833%0.325CS..Hα-helixtrans-67-34174.984.10000112.7K65 D66 A67K65-S69 PolarHBondContact O-N 3.26Å; D66-S69 WeakPolarHBondContact O-CB 3.41Å; D66-S69 PolarHBondContact O-N 3.1Å; D66-S69 PolarHBondContact O-OG 2.91Å; A67-S69 VanDerWaalsContact C-N 3.28Å; A67-S69 PolarHBondContact O-N 3.4Å
70I74.8Confident75.9Confident110 Ų11065.5 Ų65.556%0.56431%0.307SS*.Hα-helixtrans-72.8-46.1174.7-62.8169.1000109.4D66 A67 L68 A72 K73D66-I70 PolarHBondContact O-N 3.26Å; A67-I70 PolarHBondContact O-N 3.22Å; L68-I70 VanDerWaalsContact C-N 3.33Å; I70-A72 VanDerWaalsContact C-N 3.29Å; I70-A72 PolarHBondContact O-N 3.39Å; I70-K73 WeakPolarHBondContact O-CB 3.48Å; I70-K73 PolarHBondContact O-N 2.98Å; I70-K73 VanDerWaalsContact O-N 3.1Å
71I77.6Confident77.5Confident17 Ų1764.3 Ų64.39%0.08731%0.305CS..Hα-helixtrans-60.2-39.8177.5-69.2164.3000111.2A67 L68 K73 L74 I82 F160A67-I71 VanDerWaalsContact O-CG1 3.28Å; A67-I71 WeakPolarHBondContact O-CG1 3.38Å; A67-I71 PolarHBondContact O-N 3.43Å; L68-I71 PolarHBondContact O-N 2.92Å; I71-K73 PolarHBondContact O-N 3.48Å; I71-K73 VanDerWaalsContact O-N 3.16Å; I71-L74 VanDerWaalsContact O-CB 3.25Å; I71-L74 WeakPolarHBondContact O-CB 3.45Å; I71-L74 PolarHBondContact O-N 3.3Å; I71-I82 HydrophobicContact CB-CD1 4.44Å; I71-I82 HydrophobicContact CG2-CD1 3.62Å; I71-I82 HydrophobicContact CG2-CG1 4.5Å; I71-F160 HydrophobicContact CB-CE2 4.33Å; I71-F160 HydrophobicContact CG1-CE2 4.23Å; I71-F160 HydrophobicContact CG2-CD2 4.25Å; I71-F160 HydrophobicContact CG2-CE1 4.25Å; I71-F160 HydrophobicContact CG2-CE2 3.33Å; I71-F160 HydrophobicContact CG2-CZ 3.31Å
72A80.1Confident78.8Confident13 Ų1364.8 Ų64.811%0.10731%0.309CS..THydrogen-bonded Turntrans-63.4-19.5178.100000114F11 L68 I70 L74 I82F11-A72 HydrophobicContact CB-CB 4.16Å; F11-A72 HydrophobicContact CD2-CB 3.43Å; F11-A72 VanDerWaalsContact CD2-CB 3.43Å; F11-A72 HydrophobicContact CE2-CB 4.2Å; F11-A72 HydrophobicContact CG-CB 4.19Å; L68-A72 WeakPolarHBondContact O-CB 3.32Å; L68-A72 PolarHBondContact O-N 2.9Å; I70-A72 VanDerWaalsContact C-N 3.29Å; I70-A72 PolarHBondContact O-N 3.39Å; A72-L74 VanDerWaalsContact C-N 3.28Å; A72-I82 HydrophobicContact CB-CB 4.09Å; A72-I82 HydrophobicContact CB-CG2 4.34Å; A72-I82 WeakPolarHBondContact CB-O 3.26Å
73K79.5Confident80.1Confident164 Ų16458.9 Ų58.971%0.71329%0.287SS*.THydrogen-bonded Turntrans-75.9-19.2172.9-64.4173.7-176.6178.20112.3I70 I71 K75I70-K73 WeakPolarHBondContact O-CB 3.48Å; I70-K73 PolarHBondContact O-N 2.98Å; I70-K73 VanDerWaalsContact O-N 3.1Å; I71-K73 PolarHBondContact O-N 3.48Å; I71-K73 VanDerWaalsContact O-N 3.16Å; K73-K75 PolarHBondContact O-N 2.9Å
74L78.9Confident81.3Confident42 Ų4251.4 Ų51.422%0.2225%0.254CS..  trans-77.5103.1177.9-58.7170.8000109.1I71 A72 F129 L137 F160I71-L74 VanDerWaalsContact O-CB 3.25Å; I71-L74 WeakPolarHBondContact O-CB 3.45Å; I71-L74 PolarHBondContact O-N 3.3Å; A72-L74 VanDerWaalsContact C-N 3.28Å; L74-F129 HydrophobicContact CB-CE1 4.19Å; L74-F129 HydrophobicContact CB-CZ 4.5Å; L74-F129 HydrophobicContact CD2-CE1 4.35Å; L74-F129 HydrophobicContact CD2-CZ 4.32Å; L74-L137 HydrophobicContact CD1-CD1 3.45Å; L74-L137 VanDerWaalsContact CD1-CD1 3.45Å; L74-L137 HydrophobicContact CD2-CD1 4.49Å; L74-F160 HydrophobicContact CD1-CE2 4.08Å
75K81.8Confident82.5Confident141 Ų14151 Ų5161%0.61325%0.252SS*.  trans-106.6105.8175.2-64.1-169.3-178.3-178.20109.5G9 K73G9-K75 PolarHBondContact O-NZ 3.3Å; K73-K75 PolarHBondContact O-N 2.9Å
76F87.8Confident83.2Confident64 Ų6448 Ų4828%0.28124%0.239SC..  trans-139.9143.6173.6-172.9-116.4000109.7Y78 I79 M125 F129F76-Y78 HydrophobicContact CD1-CD2 4.31Å; F76-Y78 AromaticContact CE1-CD2 3.58Å; F76-Y78 HydrophobicContact CE1-CD2 3.58Å; F76-Y78 HydrophobicContact CE1-CE2 4.5Å; F76-Y78 HydrophobicContact CE1-CG 4.36Å; F76-Y78 AromaticContact CZ-CD2 3.92Å; F76-Y78 HydrophobicContact CZ-CD2 3.92Å; F76-Y78 HydrophobicContact CZ-CE2 4.43Å; F76-Y78 PolarHBondContact O-N 3.47Å; F76-Y78 VanDerWaalsContact O-N 3.12Å; F76-I79 HydrophobicContact CB-CB 4.24Å; F76-I79 HydrophobicContact CB-CG1 4.05Å; F76-I79 HydrophobicContact CD1-CG1 4.07Å; F76-I79 PolarHBondContact O-N 3.05Å; F76-M125 HydrophobicContact CE1-CB 4.38Å; F76-M125 HydrophobicContact CZ-CB 4.49Å; F76-F129 HydrophobicContact CB-CD1 3.79Å; F76-F129 HydrophobicContact CB-CD2 4.04Å; F76-F129 HydrophobicContact CB-CE1 3.73Å; F76-F129 HydrophobicContact CB-CE2 3.97Å; F76-F129 HydrophobicContact CB-CG 3.95Å; F76-F129 HydrophobicContact CB-CZ 3.82Å; F76-F129 HydrophobicContact CD1-CB 3.75Å; F76-F129 HydrophobicContact CD1-CD1 4.11Å; F76-F129 HydrophobicContact CD1-CD2 4.26Å; F76-F129 AromaticContact CD1-CG 3.77Å; F76-F129 HydrophobicContact CD1-CG 3.77Å; F76-F129 AromaticContact CD2-CD2 3.77Å; F76-F129 HydrophobicContact CD2-CD2 3.77Å; F76-F129 HydrophobicContact CD2-CE2 4.15Å; F76-F129 HydrophobicContact CD2-CG 4.14Å; F76-F129 HydrophobicContact CE1-CB 3.79Å; F76-F129 HydrophobicContact CE1-CG 4.26Å; F76-F129 HydrophobicContact CE2-CD2 4.28Å; F76-F129 HydrophobicContact CG-CB 4.15Å; F76-F129 HydrophobicContact CG-CD1 4.02Å; F76-F129 AromaticContact CG-CD2 3.77Å; F76-F129 HydrophobicContact CG-CD2 3.77Å; F76-F129 HydrophobicContact CG-CE1 4.39Å; F76-F129 HydrophobicContact CG-CE2 4.16Å; F76-F129 AromaticContact CG-CG 3.69Å; F76-F129 HydrophobicContact CG-CG 3.69Å; F76-F129 HydrophobicContact CG-CZ 4.46Å; F76-F129 HydrophobicContact CZ-CB 4.26Å
77K89.4Confident83.8Confident119 Ų11944.9 Ų44.952%0.51723%0.226SC..THydrogen-bonded Turntrans-53.2-39.7-170.7-177.8178.9173.5-167.30113K156K77-K156 WeakPolarHBondContact O-CE 3.38Å
78Y93.8Very high84.4Confident30 Ų3048.6 Ų48.612%0.11824%0.237CC..THydrogen-bonded Turntrans-9914.4-174.7-50.3-67.9000113.6F76 E122 M125 A126 V155 K156 V157F76-Y78 HydrophobicContact CD1-CD2 4.31Å; F76-Y78 AromaticContact CE1-CD2 3.58Å; F76-Y78 HydrophobicContact CE1-CD2 3.58Å; F76-Y78 HydrophobicContact CE1-CE2 4.5Å; F76-Y78 HydrophobicContact CE1-CG 4.36Å; F76-Y78 AromaticContact CZ-CD2 3.92Å; F76-Y78 HydrophobicContact CZ-CD2 3.92Å; F76-Y78 HydrophobicContact CZ-CE2 4.43Å; F76-Y78 PolarHBondContact O-N 3.47Å; F76-Y78 VanDerWaalsContact O-N 3.12Å; Y78-E122 HydrophobicContact CD1-CB 3.8Å; Y78-E122 HydrophobicContact CD1-CG 3.89Å; Y78-E122 HydrophobicContact CE1-CB 3.94Å; Y78-E122 HydrophobicContact CE1-CG 3.48Å; Y78-E122 VanDerWaalsContact CE1-CG 3.48Å; Y78-E122 HydrophobicContact CG-CB 4.39Å; Y78-M125 HydrophobicContact CD2-CB 3.91Å; Y78-M125 HydrophobicContact CD2-CE 3.84Å; Y78-M125 HydrophobicContact CD2-SD 4.29Å; Y78-M125 HydrophobicContact CE1-CE 4.15Å; Y78-M125 HydrophobicContact CE2-CB 4.21Å; Y78-M125 HydrophobicContact CE2-CE 3.16Å; Y78-M125 HydrophobicContact CE2-SD 3.63Å; Y78-M125 WeakPolarHBondContact OH-CE 3.48Å; Y78-A126 WeakPolarHBondContact O-CB 3.46Å; Y78-V155 WeakPolarHBondContact CD1-O 3.41Å; Y78-K156 WeakPolarHBondContact O-CA 3.48Å; Y78-V157 PolarHBondContact O-N 3.11Å
79I93.2Very high84.5Confident1 Ų149.3 Ų49.31%0.00524%0.243CC..BIsolated β-bridgetrans-112.8134175.2-67.9-65.5000108.9F76 S81 A126 F129 L130 V157 F160F76-I79 HydrophobicContact CB-CB 4.24Å; F76-I79 HydrophobicContact CB-CG1 4.05Å; F76-I79 HydrophobicContact CD1-CG1 4.07Å; F76-I79 PolarHBondContact O-N 3.05Å; I79-S81 PolarHBondContact O-N 3.08Å; I79-A126 HydrophobicContact CD1-CB 4.02Å; I79-F129 HydrophobicContact CG1-CD1 4.03Å; I79-F129 HydrophobicContact CG1-CE1 4.45Å; I79-L130 HydrophobicContact CD1-CD1 4.03Å; I79-L130 HydrophobicContact CD1-CD2 3.96Å; I79-L130 HydrophobicContact CD1-CG 3.9Å; I79-V157 HydrophobicContact CD1-CB 4.24Å; I79-F160 HydrophobicContact CD1-CE1 4.42Å; I79-F160 HydrophobicContact CG2-CD1 4.5Å; I79-F160 HydrophobicContact CG2-CE1 3.4Å; I79-F160 HydrophobicContact CG2-CE2 4.36Å; I79-F160 HydrophobicContact CG2-CZ 3.29Å
80L91.9Very high84.8Confident13 Ų1349.1 Ų49.17%0.06824%0.241CC..PPolyproline II helixtrans-64.4122.8-179.2-166.880.1000110.3I82 T94 E95 M97 L148 K156 V157L80-I82 PolarHBondContact O-N 2.98Å; L80-T94 HydrophobicContact CD2-CG2 4.09Å; L80-E95 VanDerWaalsContact CA-OE1 3.24Å; L80-E95 WeakPolarHBondContact CA-OE1 3.37Å; L80-E95 HydrophobicContact CD1-CG 3.45Å; L80-E95 VanDerWaalsContact CD1-CG 3.45Å; L80-E95 WeakPolarHBondContact CD1-OE1 3.43Å; L80-E95 HydrophobicContact CG-CG 4.01Å; L80-M97 HydrophobicContact CD1-CG 3.43Å; L80-M97 VanDerWaalsContact CD1-CG 3.43Å; L80-M97 HydrophobicContact CD1-SD 3.81Å; L80-L148 HydrophobicContact CD1-CD1 3.88Å; L80-L148 HydrophobicContact CD2-CD1 3.93Å; L80-K156 HydrophobicContact CB-CB 4.46Å; L80-K156 HydrophobicContact CD1-CB 4.29Å; L80-V157 WeakPolarHBondContact CB-O 3.25Å; L80-V157 PolarHBondContact N-O 3.39Å
81S90.2Very high85.3Confident32 Ų3243.9 Ų43.922%0.22421%0.214CC..PPolyproline II helixtrans-73.4128.4-179.5-660000111.4I79 T94 E95I79-S81 PolarHBondContact O-N 3.08Å; S81-T94 CarbonylContact O-C 3.36Å; S81-T94 VanDerWaalsContact O-CA 3.29Å; S81-T94 WeakPolarHBondContact O-CA 3.32Å; S81-T94 WeakPolarHBondContact O-CB 3.46Å; S81-E95 PolarHBondContact N-OE1 3.49Å; S81-E95 PolarHBondContact O-N 3.28Å
82I89.4Confident85.8Confident26 Ų2643.5 Ų43.513%0.13321%0.212CC..EExtended strand (participates in β ladder)trans-103119.8175.1-54.4-173.4000108.5F11 L68 I71 A72 L80 V92 T94F11-I82 HydrophobicContact CD2-CG2 4.47Å; F11-I82 HydrophobicContact CE2-CG2 4.18Å; L68-I82 HydrophobicContact CD2-CD1 3.72Å; I71-I82 HydrophobicContact CB-CD1 4.44Å; I71-I82 HydrophobicContact CG2-CD1 3.62Å; I71-I82 HydrophobicContact CG2-CG1 4.5Å; A72-I82 HydrophobicContact CB-CB 4.09Å; A72-I82 HydrophobicContact CB-CG2 4.34Å; A72-I82 WeakPolarHBondContact CB-O 3.26Å; L80-I82 PolarHBondContact O-N 2.98Å; I82-V92 HydrophobicContact CG2-CG1 3.63Å; I82-T94 HydrophobicContact CG1-CG2 4.23Å
83Y88.2Confident86.2Confident43 Ų4342.9 Ų42.917%0.16921%0.207CC..EExtended strand (participates in β ladder)trans-90-25.7-179.9-60.9-40.2000112.8F11 R12 W42 V93 E95F11-Y83 WeakPolarHBondContact CA-O 3.16Å; R12-Y83 PolarHBondContact N-O 3.35Å; R12-Y83 VanDerWaalsContact N-O 3.07Å; W42-Y83 HydrophobicContact CH2-CG 4.16Å; W42-Y83 HydrophobicContact CZ3-CD1 4.47Å; W42-Y83 AromaticContact CZ3-CD2 3.88Å; W42-Y83 HydrophobicContact CZ3-CD2 3.88Å; W42-Y83 HydrophobicContact CZ3-CE2 4.48Å; W42-Y83 AromaticContact CZ3-CG 3.88Å; W42-Y83 HydrophobicContact CZ3-CG 3.88Å; Y83-V93 HydrophobicContact CD2-CG1 4.28Å; Y83-V93 PolarHBondContact N-O 3.32Å; Y83-E95 HydrophobicContact CE2-CB 4.04Å; Y83-E95 WeakPolarHBondContact OH-CB 3.46Å
84G87.9Confident86.8Confident0 Ų035.7 Ų35.70%018%0.177CC..EExtended strand (participates in β ladder)trans161.4-162.5-176.500000113.4R12 V92 V93R12-G84 CarbonylContact O-C 3.55Å; R12-G84 WeakPolarHBondContact O-CA 3.42Å; G84-V92 WeakPolarHBondContact O-CG1 3.44Å; G84-V93 PolarHBondContact N-O 3.16Å; G84-V93 PolarHBondContact O-N 3.39Å
85V87.8Confident87.4Confident0 Ų034.8 Ų34.80%017%0.172CC..EExtended strand (participates in β ladder)trans-129.1156.3178-640000109.9F11 R12 D13 F14 Y61 K65 L68 G91 V92F11-V85 HydrophobicContact CE1-CG2 4.41Å; F11-V85 HydrophobicContact CE2-CG1 4.22Å; F11-V85 HydrophobicContact CZ-CG1 3.71Å; F11-V85 HydrophobicContact CZ-CG2 4.25Å; R12-V85 PolarHBondContact O-N 3.45Å; D13-V85 CarbonylContact C-O 3.47Å; D13-V85 WeakPolarHBondContact CA-O 3.43Å; F14-V85 PolarHBondContact N-O 3.36Å; Y61-V85 HydrophobicContact CE2-CB 4.3Å; Y61-V85 HydrophobicContact CE2-CG1 4.49Å; Y61-V85 WeakPolarHBondContact OH-CB 3.48Å; K65-V85 HydrophobicContact CD-CG2 4.22Å; K65-V85 HydrophobicContact CG-CG2 4.25Å; L68-V85 HydrophobicContact CD1-CG1 4.05Å; V85-G91 CarbonylContact C-O 3.4Å; V85-G91 VanDerWaalsContact CA-O 3.3Å; V85-G91 WeakPolarHBondContact CA-O 3.48Å; V85-V92 HydrophobicContact CG1-CG2 4.47Å
86C86.8Confident87.8Confident0 Ų031 Ų310%015%0.154CC..EExtended strand (participates in β ladder)trans-118.7103.4174.2179.40000108.4F14 F19 L48 Y61 E88 A89 T90 G91 V93F14-C86 HydrophobicContact CB-CB 4.27Å; F14-C86 WeakPolarHBondContact O-CA 3.31Å; F14-C86 PolarHBondContact O-SG 2.75Å; F19-C86 HydrophobicContact CE2-CB 4.35Å; F19-C86 HydrophobicContact CZ-CB 4.47Å; L48-C86 HydrophobicContact CD1-CB 3.93Å; Y61-C86 VanDerWaalsContact OH-C 3.23Å; Y61-C86 PolarHBondContact OH-O 2.89Å; C86-E88 VanDerWaalsContact C-N 3.33Å; C86-E88 PolarHBondContact O-N 2.95Å; C86-A89 HydrophobicContact CB-CB 4.29Å; C86-A89 PolarHBondContact O-N 2.96Å; C86-A89 VanDerWaalsContact SG-CB 3.59Å; C86-T90 WeakPolarHBondContact O-CA 3.4Å; C86-T90 PolarHBondContact O-N 3.45Å; C86-G91 PolarHBondContact N-O 3.47Å; C86-G91 PolarHBondContact O-N 3.18Å; C86-G91 VanDerWaalsContact O-N 3.12Å; C86-V93 HydrophobicContact CB-CG2 4.44Å
87S80.6Confident88Confident50 Ų5028.5 Ų28.535%0.3514%0.144SC..THydrogen-bonded Turntrans-66.5-33.2-174.4-640000113.2D13 Y61D13-S87 VanDerWaalsContact CG-OG 3.29Å; D13-S87 WeakPolarHBondContact OD1-CB 3.48Å; D13-S87 PolarHBondContact OD1-N 2.98Å; D13-S87 PolarHBondContact OD1-OG 3.26Å; D13-S87 PolarHBondContact OD2-OG 3.4Å; D13-S87 VanDerWaalsContact OD2-OG 3.05Å; Y61-S87 WeakPolarHBondContact OH-CA 3.25Å; Y61-S87 PolarHBondContact OH-N 2.99Å
88E80.9Confident87.9Confident117 Ų11724.7 Ų24.755%0.54713%0.132SC..THydrogen-bonded Turntrans-71.8-32.3178.6-69.4170.6-15800113.1R16 C86R16-E88 WeakPolarHBondContact CB-OE2 3.44Å; R16-E88 PolarHBondContact N-OE2 3.27Å; C86-E88 VanDerWaalsContact C-N 3.33Å; C86-E88 PolarHBondContact O-N 2.95Å
89A77.5Confident87.6Confident19 Ų1926.4 Ų26.416%0.15714%0.143CC..THydrogen-bonded Turntrans-1003.9178.700000113.2W23 L48 T50 C86 G91W23-A89 HydrophobicContact CH2-CB 3.94Å; W23-A89 HydrophobicContact CZ3-CB 4.2Å; L48-A89 HydrophobicContact CD2-CB 4.19Å; T50-A89 HydrophobicContact CG2-CB 4.29Å; T50-A89 WeakPolarHBondContact CG2-O 3.46Å; C86-A89 HydrophobicContact CB-CB 4.29Å; C86-A89 PolarHBondContact O-N 2.96Å; C86-A89 VanDerWaalsContact SG-CB 3.59Å; A89-G91 VanDerWaalsContact C-N 3.32Å; A89-G91 PolarHBondContact O-N 3.24Å
90T82Confident87.4Confident30 Ų3027.5 Ų27.518%0.18416%0.155CC..THydrogen-bonded Turntrans43.156.9-174.851.40000112F51 C86F51-T90 WeakPolarHBondContact CD2-O 3.46Å; F51-T90 PolarHBondContact N-O 3.13Å; F51-T90 PolarHBondContact O-OG1 2.98Å; C86-T90 WeakPolarHBondContact O-CA 3.4Å; C86-T90 PolarHBondContact O-N 3.45Å
91G85.3Confident87.4Confident0 Ų027.6 Ų27.60%016%0.157CC..EExtended strand (participates in β ladder)trans-144164.3-172.100000114.9K49 V85 C86 A89K49-G91 CarbonylContact O-C 3.52Å; K49-G91 WeakPolarHBondContact O-CA 3.39Å; V85-G91 CarbonylContact C-O 3.4Å; V85-G91 VanDerWaalsContact CA-O 3.3Å; V85-G91 WeakPolarHBondContact CA-O 3.48Å; C86-G91 PolarHBondContact N-O 3.47Å; C86-G91 PolarHBondContact O-N 3.18Å; C86-G91 VanDerWaalsContact O-N 3.12Å; A89-G91 VanDerWaalsContact C-N 3.32Å; A89-G91 PolarHBondContact O-N 3.24Å
92V87.9Confident87.5Confident9 Ų926.1 Ų26.16%0.05515%0.146CC..EExtended strand (participates in β ladder)trans-102.8134.2175.3-172.40000109.1L48 K49 F51 L68 I82 G84 V85 T94L48-V92 WeakPolarHBondContact CA-O 3.25Å; K49-V92 PolarHBondContact N-O 3.37Å; K49-V92 PolarHBondContact O-N 2.74Å; F51-V92 HydrophobicContact CE2-CG2 3.77Å; F51-V92 HydrophobicContact CZ-CG2 3.99Å; L68-V92 HydrophobicContact CD1-CG2 3.66Å; I82-V92 HydrophobicContact CG2-CG1 3.63Å; G84-V92 WeakPolarHBondContact O-CG1 3.44Å; V85-V92 HydrophobicContact CG1-CG2 4.47Å; V92-T94 HydrophobicContact CG1-CG2 3.83Å
93V89.4Confident87.5Confident0 Ų026.6 Ų26.60%015%0.149CC..EExtended strand (participates in β ladder)trans-96.7117.3174.1-1720000108.2F14 F19 C46 A47 L48 Y83 G84 C86F14-V93 HydrophobicContact CB-CG2 4.46Å; F14-V93 HydrophobicContact CD2-CB 4.05Å; F14-V93 HydrophobicContact CD2-CG2 3.56Å; F14-V93 HydrophobicContact CE2-CB 3.92Å; F14-V93 HydrophobicContact CE2-CG1 4.14Å; F14-V93 HydrophobicContact CE2-CG2 3.97Å; F14-V93 HydrophobicContact CG-CG2 4.1Å; F14-V93 HydrophobicContact CZ-CG1 4.41Å; F19-V93 HydrophobicContact CE1-CG1 4.49Å; F19-V93 HydrophobicContact CE1-CG2 4.24Å; F19-V93 HydrophobicContact CZ-CG2 3.8Å; C46-V93 HydrophobicContact CB-CG1 3.9Å; A47-V93 WeakPolarHBondContact O-CA 3.49Å; L48-V93 HydrophobicContact CD1-CG2 3.97Å; Y83-V93 HydrophobicContact CD2-CG1 4.28Å; Y83-V93 PolarHBondContact N-O 3.32Å; G84-V93 PolarHBondContact N-O 3.16Å; G84-V93 PolarHBondContact O-N 3.39Å; C86-V93 HydrophobicContact CB-CG2 4.44Å
94T91.4Very high87.5Confident14 Ų1429 Ų299%0.08617%0.165CC..EExtended strand (participates in β ladder)trans-123.4171179.4680000110.6C46 A47 L80 S81 I82 V92C46-T94 WeakPolarHBondContact CB-O 3.42Å; A47-T94 PolarHBondContact N-O 3.48Å; A47-T94 PolarHBondContact O-N 2.65Å; L80-T94 HydrophobicContact CD2-CG2 4.09Å; S81-T94 CarbonylContact O-C 3.36Å; S81-T94 VanDerWaalsContact O-CA 3.29Å; S81-T94 WeakPolarHBondContact O-CA 3.32Å; S81-T94 WeakPolarHBondContact O-CB 3.46Å; I82-T94 HydrophobicContact CG1-CG2 4.23Å; V92-T94 HydrophobicContact CG1-CG2 3.83Å
95E91.3Very high87.4Confident22 Ų2229.5 Ų29.510%0.10317%0.168CC..EExtended strand (participates in β ladder)trans-57.5147.8165.375.9-169.3147.500111.2L80 S81 Y83 M97 K156L80-E95 VanDerWaalsContact CA-OE1 3.24Å; L80-E95 WeakPolarHBondContact CA-OE1 3.37Å; L80-E95 HydrophobicContact CD1-CG 3.45Å; L80-E95 VanDerWaalsContact CD1-CG 3.45Å; L80-E95 WeakPolarHBondContact CD1-OE1 3.43Å; L80-E95 HydrophobicContact CG-CG 4.01Å; S81-E95 PolarHBondContact N-OE1 3.49Å; S81-E95 PolarHBondContact O-N 3.28Å; Y83-E95 HydrophobicContact CE2-CB 4.04Å; Y83-E95 WeakPolarHBondContact OH-CB 3.46Å; E95-M97 HydrophobicContact CG-CG 4.39Å; E95-M97 HydrophobicContact CG-SD 3.89Å; E95-K156 WeakPolarHBondContact OE1-CD 3.49Å; E95-K156 WeakPolarHBondContact OE1-CE 3.48Å; E95-K156 IonicContact OE1-NZ 2.82Å; E95-K156 PolarHBondContact OE1-NZ 3.07Å; E95-K156 IonicContact OE2-NZ 2.82Å; E95-K156 PolarHBondContact OE2-NZ 3.18Å
96Y91.5Very high87.2Confident62 Ų6230.2 Ų30.224%0.24317%0.171CC..  trans-89.7124.5178.3-178.6-103.9000110.1V26 Q36 K45 A47V26-Y96 HydrophobicContact CG1-CE2 4.29Å; Q36-Y96 HydrophobicContact CB-CD2 4.17Å; Q36-Y96 HydrophobicContact CB-CE2 3.72Å; Q36-Y96 HydrophobicContact CG-CD2 3.97Å; Q36-Y96 HydrophobicContact CG-CE2 3.73Å; Q36-Y96 HydrophobicContact CG-CG 4.49Å; Q36-Y96 PolarHBondContact OE1-OH 3.46Å; K45-Y96 HydrophobicContact CB-CD1 4.36Å; K45-Y96 HydrophobicContact CB-CG 4.43Å; K45-Y96 WeakPolarHBondContact O-CB 3.41Å; A47-Y96 HydrophobicContact CB-CD2 4.18Å
97M92.4Very high87Confident12 Ų1234.2 Ų34.26%0.05920%0.204CC..  trans-106.3103.2178.9-58.7-62-71.700108.3L80 E95 N99 G100 L148 L149 D150 K156L80-M97 HydrophobicContact CD1-CG 3.43Å; L80-M97 VanDerWaalsContact CD1-CG 3.43Å; L80-M97 HydrophobicContact CD1-SD 3.81Å; E95-M97 HydrophobicContact CG-CG 4.39Å; E95-M97 HydrophobicContact CG-SD 3.89Å; M97-N99 PolarHBondContact O-N 3.34Å; M97-G100 PolarHBondContact O-N 3.03Å; M97-L148 HydrophobicContact CB-CB 3.79Å; M97-L148 HydrophobicContact CB-CD1 4.23Å; M97-L148 HydrophobicContact CE-CB 4.14Å; M97-L148 HydrophobicContact CG-CB 3.64Å; M97-L148 HydrophobicContact CG-CD1 3.88Å; M97-L148 HydrophobicContact CG-CG 4.41Å; M97-L149 CarbonylContact C-O 3.47Å; M97-L149 VanDerWaalsContact CE-C 3.45Å; M97-D150 HydrophobicContact CE-CB 3.92Å; M97-K156 HydrophobicContact CE-CB 3.82Å; M97-K156 HydrophobicContact CE-CD 3.86Å; M97-K156 HydrophobicContact CE-CG 3.7Å; M97-K156 HydrophobicContact SD-CD 3.97Å; M97-K156 HydrophobicContact SD-CG 4.45Å
98S86.8Confident86.8Confident39 Ų3935.6 Ų35.627%0.27321%0.214SC..THydrogen-bonded Turntrans-63.8-35.2-167.950.70000114.8G100 D151S98-G100 VanDerWaalsContact C-N 3.26Å; S98-D151 WeakPolarHBondContact CB-OD1 3.17Å; S98-D151 WeakPolarHBondContact OG-CA 3.44Å; S98-D151 PolarHBondContact OG-N 3.4Å; S98-D151 VanDerWaalsContact OG-N 3.12Å; S98-D151 PolarHBondContact OG-OD1 2.88Å
99N86.4Confident86.7Confident65 Ų6535.5 Ų35.535%0.34821%0.213SC..THydrogen-bonded Turntrans-83.2-4.9176-77.7-47000112.3M97 L105 L149 D150M97-N99 PolarHBondContact O-N 3.34Å; N99-L105 HydrophobicContact CB-CD1 4.29Å; N99-L105 HydrophobicContact CB-CD2 4.31Å; N99-L105 WeakPolarHBondContact O-CD1 3.36Å; N99-L149 HydrophobicContact CB-CB 3.83Å; N99-L149 PolarHBondContact N-O 3.41Å; N99-D150 PolarHBondContact ND2-O 3.35Å
100G89.5Confident86.8Confident25 Ų2539.8 Ų39.826%0.25824%0.242SC..EExtended strand (participates in β ladder)trans67.9-146.9176.300000112.9M97 S98 L148 L149M97-G100 PolarHBondContact O-N 3.03Å; S98-G100 VanDerWaalsContact C-N 3.26Å; G100-L148 CarbonylContact O-C 3.57Å; G100-L148 VanDerWaalsContact O-CA 3.3Å; G100-L148 WeakPolarHBondContact O-CA 3.02Å; G100-L149 PolarHBondContact O-N 3.06Å
101S91.6Very high86.6Confident15 Ų1539.4 Ų39.411%0.10524%0.238CC..EExtended strand (participates in β ladder)trans-81.8140.1-175.1770000113.3N103 N104 L105 I147S101-N103 PolarHBondContact O-N 3.44Å; S101-N104 WeakPolarHBondContact O-CB 3.48Å; S101-N104 PolarHBondContact O-N 3.19Å; S101-N104 PolarHBondContact OG-ND2 3.35Å; S101-N104 PolarHBondContact OG-OD1 2.88Å; S101-L105 VanDerWaalsContact O-CD1 3.29Å; S101-L105 WeakPolarHBondContact O-CD1 3.38Å; S101-L105 PolarHBondContact O-N 3.4Å; S101-I147 CarbonylContact C-O 3.6Å; S101-I147 WeakPolarHBondContact CA-O 3.09Å
102L93.1Very high86.4Confident0 Ų045.6 Ų45.60%027%0.269CS..Hα-helixtrans-54.1-37.7175.8175.263.7000111.8N104 L105 L106 F111 M119 I123 T144 I147 L149 I215L102-N104 PolarHBondContact O-N 3.19Å; L102-L105 PolarHBondContact O-N 2.84Å; L102-L105 VanDerWaalsContact O-N 3.12Å; L102-L106 HydrophobicContact CD1-CD1 4.2Å; L102-L106 HydrophobicContact CD1-CD2 4.1Å; L102-L106 HydrophobicContact CD1-CG 3.82Å; L102-L106 HydrophobicContact CD2-CD1 4.37Å; L102-L106 HydrophobicContact CG-CD1 3.86Å; L102-L106 HydrophobicContact CG-CG 3.97Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 2.85Å; L102-F111 HydrophobicContact CD1-CE2 4.36Å; L102-M119 HydrophobicContact CD1-SD 3.81Å; L102-I123 HydrophobicContact CD2-CD1 4.5Å; L102-T144 WeakPolarHBondContact CB-O 3.49Å; L102-T144 HydrophobicContact CD2-CG2 4.29Å; L102-T144 PolarHBondContact N-O 3.07Å; L102-I147 HydrophobicContact CB-CB 4.11Å; L102-I147 HydrophobicContact CB-CG2 4.02Å; L102-I147 WeakPolarHBondContact CB-O 3.39Å; L102-I147 HydrophobicContact CD2-CB 4.24Å; L102-I147 HydrophobicContact CD2-CD1 4.4Å; L102-I147 HydrophobicContact CD2-CG2 3.81Å; L102-I147 PolarHBondContact N-O 3.29Å; L102-L149 HydrophobicContact CB-CD1 4.25Å; L102-L149 HydrophobicContact CD1-CD1 3.9Å; L102-I215 HydrophobicContact CD2-CD1 3.94Å; L102-I215 HydrophobicContact CD2-CG1 3.97Å
103N89.6Confident86Confident36 Ų3647.1 Ų47.119%0.19327%0.274CS..Hα-helixtrans-52.9-38.2174.5173.480.9000113.1S101 A107 T144S101-N103 PolarHBondContact O-N 3.44Å; N103-A107 PolarHBondContact O-N 3.44Å; N103-T144 PolarHBondContact N-O 3.4Å
104N86.9Confident85.6Confident93 Ų9351.3 Ų51.350%0.49729%0.293SS..Hα-helixtrans-75.5-37.5-179.9-64-9.9000111.5S101 L102 A107 S108S101-N104 WeakPolarHBondContact O-CB 3.48Å; S101-N104 PolarHBondContact O-N 3.19Å; S101-N104 PolarHBondContact OG-ND2 3.35Å; S101-N104 PolarHBondContact OG-OD1 2.88Å; L102-N104 PolarHBondContact O-N 3.19Å; N104-A107 PolarHBondContact O-N 3.46Å; N104-S108 PolarHBondContact O-N 3.23Å; N104-S108 PolarHBondContact O-OG 3.34Å
105L85.9Confident85.3Confident12 Ų1253.7 Ų53.76%0.06330%0.302CS..Hα-helixtrans-70.8-40.7176.2-72.191000112.4N99 S101 L102 A107 S108 H109 F111 L149 L153N99-L105 HydrophobicContact CB-CD1 4.29Å; N99-L105 HydrophobicContact CB-CD2 4.31Å; N99-L105 WeakPolarHBondContact O-CD1 3.36Å; S101-L105 VanDerWaalsContact O-CD1 3.29Å; S101-L105 WeakPolarHBondContact O-CD1 3.38Å; S101-L105 PolarHBondContact O-N 3.4Å; L102-L105 PolarHBondContact O-N 2.84Å; L102-L105 VanDerWaalsContact O-N 3.12Å; L105-A107 PolarHBondContact O-N 2.99Å; L105-S108 WeakPolarHBondContact CA-OG 3.39Å; L105-S108 PolarHBondContact O-N 3.02Å; L105-S108 PolarHBondContact O-OG 3.35Å; L105-H109 PolarHBondContact O-N 3.04Å; L105-F111 HydrophobicContact CB-CE2 4.03Å; L105-F111 HydrophobicContact CB-CZ 3.7Å; L105-F111 HydrophobicContact CD2-CE1 4.47Å; L105-F111 HydrophobicContact CD2-CZ 3.86Å; L105-F111 HydrophobicContact CG-CZ 4.44Å; L105-L149 HydrophobicContact CB-CD1 4.44Å; L105-L149 HydrophobicContact CD1-CD1 3.66Å; L105-L149 HydrophobicContact CD2-CD1 3.92Å; L105-L149 HydrophobicContact CG-CD1 4.21Å; L105-L153 HydrophobicContact CD2-CD2 3.74Å
106L85.3Confident85.2Confident14 Ų1453 Ų537%0.07330%0.299CS..Hα-helixtrans-58.4-31.9176.9-69.8175.8000112L102 F111 T144 E214 I215 Q218L102-L106 HydrophobicContact CD1-CD1 4.2Å; L102-L106 HydrophobicContact CD1-CD2 4.1Å; L102-L106 HydrophobicContact CD1-CG 3.82Å; L102-L106 HydrophobicContact CD2-CD1 4.37Å; L102-L106 HydrophobicContact CG-CD1 3.86Å; L102-L106 HydrophobicContact CG-CG 3.97Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 2.85Å; L106-F111 HydrophobicContact CD2-CD2 3.94Å; L106-F111 HydrophobicContact CD2-CE2 3.95Å; L106-T144 HydrophobicContact CD1-CG2 3.82Å; L106-E214 HydrophobicContact CD1-CB 4.34Å; L106-I215 HydrophobicContact CD1-CG1 4.37Å; L106-Q218 HydrophobicContact CD2-CB 4.49Å; L106-Q218 HydrophobicContact CD2-CG 4.02Å
107A80.8Confident85.1Confident85 Ų8550.2 Ų50.270%0.70229%0.288SS*.Hα-helixtrans-80-20.1176.900000114.3N103 N104 L105N103-A107 PolarHBondContact O-N 3.44Å; N104-A107 PolarHBondContact O-N 3.46Å; L105-A107 PolarHBondContact O-N 2.99Å
108S77.6Confident85.1Confident79 Ų7951.1 Ų51.155%0.55229%0.292SS*.Hα-helixtrans-115.9-22.3-170.753.40000114.7N104 L105N104-S108 PolarHBondContact O-N 3.23Å; N104-S108 PolarHBondContact O-OG 3.34Å; L105-S108 WeakPolarHBondContact CA-OG 3.39Å; L105-S108 PolarHBondContact O-N 3.02Å; L105-S108 PolarHBondContact O-OG 3.35Å
109H78Confident85.4Confident114 Ų11449.3 Ų49.353%0.52828%0.279SS..  trans-130.3140.1-172.7-67.475.9000111L105 Q218L105-H109 PolarHBondContact O-N 3.04Å; H109-Q218 PolarHBondContact O-NE2 3.48Å
110S79.6Confident85.8Confident110 Ų11046.3 Ų46.377%0.76926%0.263SS*.PPolyproline II helixtrans-90.3123.8169.9-167.70000110.4Q218S110-Q218 PolarHBondContact OG-OE1 3.35Å
111F79.1Confident86.1Confident22 Ų2245.6 Ų45.610%0.09625%0.253CS..PPolyproline II helixtrans-95.7139.3-179-69.8-62.7000112.4L102 L105 L106 K116 M119 L153L102-F111 HydrophobicContact CD1-CE2 4.36Å; L105-F111 HydrophobicContact CB-CE2 4.03Å; L105-F111 HydrophobicContact CB-CZ 3.7Å; L105-F111 HydrophobicContact CD2-CE1 4.47Å; L105-F111 HydrophobicContact CD2-CZ 3.86Å; L105-F111 HydrophobicContact CG-CZ 4.44Å; L106-F111 HydrophobicContact CD2-CD2 3.94Å; L106-F111 HydrophobicContact CD2-CE2 3.95Å; F111-K116 HydrophobicContact CB-CG 3.89Å; F111-K116 VanDerWaalsContact O-CE 3.32Å; F111-K116 WeakPolarHBondContact O-CE 3.25Å; F111-M119 HydrophobicContact CD1-CE 4.19Å; F111-M119 HydrophobicContact CE1-CE 3.79Å; F111-M119 HydrophobicContact CE2-CE 4.2Å; F111-M119 HydrophobicContact CE2-SD 4.45Å; F111-M119 HydrophobicContact CZ-CE 3.79Å; F111-L153 HydrophobicContact CE1-CD1 4.16Å
112M80.1Confident86.3Confident130 Ų13045.1 Ų45.164%0.6425%0.249SC*.PPolyproline II helixtrans-62.9152166.9-58.9-161.9-6200111.2Q114 K115 K116M112-Q114 VanDerWaalsContact C-N 3.32Å; M112-Q114 PolarHBondContact O-N 2.96Å; M112-K115 PolarHBondContact O-N 2.97Å; M112-K115 VanDerWaalsContact O-N 3.08Å; M112-K116 PolarHBondContact O-N 3.23Å; M112-K116 VanDerWaalsContact O-N 3.1Å
113W80.8Confident86.5Confident41 Ų4145.1 Ų45.116%0.15525%0.249CC..Hα-helixtrans-57.7-40.5-177.7-74.7110.8000113.2K115 K116 F117 L216 I245 P246 K248 R249 P250 C253W113-K115 VanDerWaalsContact C-N 3.28Å; W113-K115 PolarHBondContact O-N 3.49Å; W113-K116 HydrophobicContact CE3-CD 3.92Å; W113-K116 HydrophobicContact CZ3-CD 4.15Å; W113-K116 WeakPolarHBondContact O-CB 3.47Å; W113-K116 PolarHBondContact O-N 3.32Å; W113-K116 VanDerWaalsContact O-N 3.16Å; W113-F117 HydrophobicContact CE3-CD2 4.44Å; W113-F117 AromaticContact CE3-CE2 3.85Å; W113-F117 HydrophobicContact CE3-CE2 3.85Å; W113-F117 HydrophobicContact CZ3-CE2 4.47Å; W113-F117 WeakPolarHBondContact O-CD2 3.26Å; W113-F117 PolarHBondContact O-N 3.24Å; W113-L216 HydrophobicContact CZ3-CD2 3.82Å; W113-I245 HydrophobicContact CH2-CG2 4.26Å; W113-P246 HydrophobicContact CZ2-CB 4.46Å; W113-K248 PolarHBondContact NE1-O 2.84Å; W113-R249 HydrophobicContact CH2-CB 3.88Å; W113-R249 HydrophobicContact CZ2-CB 3.37Å; W113-P250 HydrophobicContact CB-CG 3.96Å; W113-P250 VanDerWaalsContact CD1-CD 3.42Å; W113-P250 HydrophobicContact CD2-CG 4.24Å; W113-P250 VanDerWaalsContact CG-CD 3.46Å; W113-P250 HydrophobicContact CG-CG 3.88Å; W113-C253 HydrophobicContact CZ3-CB 4.46Å; W113-C253 WeakPolarHBondContact CZ3-SG 3.31Å
114Q80.5Confident86.8Confident88 Ų8843.4 Ų43.441%0.41124%0.24SC..Hα-helixtrans-58.4-41.1177.2-59.290.3-17.400111.9M112 F117 Q118 L288M112-Q114 VanDerWaalsContact C-N 3.32Å; M112-Q114 PolarHBondContact O-N 2.96Å; Q114-F117 PolarHBondContact O-N 3.35Å; Q114-Q118 WeakPolarHBondContact O-CB 3.49Å; Q114-Q118 PolarHBondContact O-N 2.97Å; Q114-L288 HydrophobicContact CG-CB 4.06Å
115K84.1Confident87.2Confident64 Ų6440.5 Ų40.528%0.27822%0.224SC..Hα-helixtrans-70.7-37.9178.5-74.2-68.1175.4-172.20112.3M112 W113 F117 Q118 M119M112-K115 PolarHBondContact O-N 2.97Å; M112-K115 VanDerWaalsContact O-N 3.08Å; W113-K115 VanDerWaalsContact C-N 3.28Å; W113-K115 PolarHBondContact O-N 3.49Å; K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 3.28Å; K115-Q118 PolarHBondContact O-N 3.37Å; K115-M119 WeakPolarHBondContact O-CB 3.28Å; K115-M119 VanDerWaalsContact O-CG 3.25Å; K115-M119 WeakPolarHBondContact O-CG 3.44Å; K115-M119 PolarHBondContact O-N 3.15Å
116K89.5Confident87.6Confident7 Ų739.9 Ų39.93%0.0322%0.221CC..Hα-helixtrans-58.3-46.2172.7-68.7-179.6174.5-1760111.3F111 M112 W113 M119 I120 I215 L216F111-K116 HydrophobicContact CB-CG 3.89Å; F111-K116 VanDerWaalsContact O-CE 3.32Å; F111-K116 WeakPolarHBondContact O-CE 3.25Å; M112-K116 PolarHBondContact O-N 3.23Å; M112-K116 VanDerWaalsContact O-N 3.1Å; W113-K116 HydrophobicContact CE3-CD 3.92Å; W113-K116 HydrophobicContact CZ3-CD 4.15Å; W113-K116 WeakPolarHBondContact O-CB 3.47Å; W113-K116 PolarHBondContact O-N 3.32Å; W113-K116 VanDerWaalsContact O-N 3.16Å; K116-M119 PolarHBondContact O-N 3.28Å; K116-I120 WeakPolarHBondContact O-CD1 3.49Å; K116-I120 VanDerWaalsContact O-CG1 3.29Å; K116-I120 WeakPolarHBondContact O-CG1 3.37Å; K116-I120 PolarHBondContact O-N 3.29Å; K116-I120 VanDerWaalsContact O-N 3.09Å; K116-I215 HydrophobicContact CB-CG2 3.79Å; K116-I215 WeakPolarHBondContact CD-O 3.03Å; K116-I215 VanDerWaalsContact CE-O 3.3Å; K116-I215 WeakPolarHBondContact CE-O 3.18Å; K116-I215 HydrophobicContact CG-CG2 3.97Å; K116-L216 PolarHBondContact NZ-O 2.92Å
117F89.9Confident88.1Confident4 Ų439.2 Ų39.22%0.01822%0.217CC..Hα-helixtrans-66.7-44.9179.5-81.1-128.8000111.7W113 Q114 K115 M119 I120 H121 E252 C253 L256 L284 L288W113-F117 HydrophobicContact CE3-CD2 4.44Å; W113-F117 AromaticContact CE3-CE2 3.85Å; W113-F117 HydrophobicContact CE3-CE2 3.85Å; W113-F117 HydrophobicContact CZ3-CE2 4.47Å; W113-F117 WeakPolarHBondContact O-CD2 3.26Å; W113-F117 PolarHBondContact O-N 3.24Å; Q114-F117 PolarHBondContact O-N 3.35Å; K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 3.28Å; F117-M119 PolarHBondContact O-N 3.36Å; F117-I120 PolarHBondContact O-N 2.92Å; F117-H121 WeakPolarHBondContact O-CB 3.38Å; F117-H121 PolarHBondContact O-N 3.2Å; F117-E252 HydrophobicContact CE1-CB 3.98Å; F117-E252 HydrophobicContact CZ-CB 4.29Å; F117-C253 HydrophobicContact CZ-CB 4.16Å; F117-L256 HydrophobicContact CD1-CD2 4Å; F117-L256 HydrophobicContact CD2-CD2 3.6Å; F117-L256 HydrophobicContact CE1-CB 4.45Å; F117-L256 HydrophobicContact CE1-CD2 3.91Å; F117-L256 HydrophobicContact CE2-CD2 3.51Å; F117-L256 HydrophobicContact CG-CD2 3.88Å; F117-L256 HydrophobicContact CZ-CB 4.31Å; F117-L256 HydrophobicContact CZ-CD2 3.7Å; F117-L284 HydrophobicContact CD1-CB 3.92Å; F117-L284 HydrophobicContact CE1-CB 4.05Å; F117-L288 HydrophobicContact CB-CD1 3.87Å; F117-L288 HydrophobicContact CD1-CD1 3.3Å; F117-L288 HydrophobicContact CD1-CG 4.49Å; F117-L288 HydrophobicContact CD2-CD1 4.03Å; F117-L288 HydrophobicContact CE1-CD1 3.67Å; F117-L288 HydrophobicContact CE2-CD1 4.34Å; F117-L288 HydrophobicContact CG-CD1 3.47Å; F117-L288 VanDerWaalsContact CG-CD1 3.47Å; F117-L288 HydrophobicContact CZ-CD1 4.15Å
118Q91.4Very high88.8Confident31 Ų3137.1 Ų37.115%0.14519%0.194CC..Hα-helixtrans-56.2-49.9175.2-175-171.5-14.300111Q114 K115 I120 H121 E122 H154Q114-Q118 WeakPolarHBondContact O-CB 3.49Å; Q114-Q118 PolarHBondContact O-N 2.97Å; K115-Q118 PolarHBondContact O-N 3.37Å; Q118-I120 VanDerWaalsContact C-N 3.34Å; Q118-I120 PolarHBondContact O-N 3.42Å; Q118-H121 PolarHBondContact O-N 3.08Å; Q118-E122 HydrophobicContact CG-CG 4.42Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.35Å; Q118-E122 PolarHBondContact NE2-OE1 3.22Å; Q118-E122 VanDerWaalsContact O-CG 3.3Å; Q118-E122 WeakPolarHBondContact O-CG 3.3Å; Q118-E122 PolarHBondContact O-N 2.98Å; Q118-H154 PolarHBondContact NE2-CE1 2.97Å; Q118-H154 PolarHBondContact NE2-ND1 2.89Å
119M93.6Very high89.6Confident1 Ų136.3 Ų36.31%0.00518%0.181CC..Hα-helixtrans-59.2-44.8178.8-71.5175.2-178.900111.7L102 F111 K115 K116 F117 H121 E122 I123 L149 L153 V155L102-M119 HydrophobicContact CD1-SD 3.81Å; F111-M119 HydrophobicContact CD1-CE 4.19Å; F111-M119 HydrophobicContact CE1-CE 3.79Å; F111-M119 HydrophobicContact CE2-CE 4.2Å; F111-M119 HydrophobicContact CE2-SD 4.45Å; F111-M119 HydrophobicContact CZ-CE 3.79Å; K115-M119 WeakPolarHBondContact O-CB 3.28Å; K115-M119 VanDerWaalsContact O-CG 3.25Å; K115-M119 WeakPolarHBondContact O-CG 3.44Å; K115-M119 PolarHBondContact O-N 3.15Å; K116-M119 PolarHBondContact O-N 3.28Å; F117-M119 PolarHBondContact O-N 3.36Å; M119-H121 VanDerWaalsContact C-N 3.34Å; M119-H121 PolarHBondContact O-N 2.98Å; M119-E122 PolarHBondContact O-N 3.04Å; M119-I123 VanDerWaalsContact O-CD1 3.3Å; M119-I123 WeakPolarHBondContact O-CD1 3.37Å; M119-I123 WeakPolarHBondContact O-CG1 3.4Å; M119-I123 PolarHBondContact O-N 3.35Å; M119-L149 HydrophobicContact CE-CD1 4.28Å; M119-L149 HydrophobicContact CE-CD2 3.99Å; M119-L153 HydrophobicContact CE-CB 4.14Å; M119-V155 HydrophobicContact CB-CG2 3.91Å; M119-V155 HydrophobicContact CG-CG2 3.83Å
120I95.4Very high90.2Very high1 Ų131 Ų311%0.00516%0.156CC..Hα-helixtrans-62-42.9178.7-70.4162.8000111.2K116 F117 Q118 S124 F208 I212 I215 L216 L256 T281K116-I120 WeakPolarHBondContact O-CD1 3.49Å; K116-I120 VanDerWaalsContact O-CG1 3.29Å; K116-I120 WeakPolarHBondContact O-CG1 3.37Å; K116-I120 PolarHBondContact O-N 3.29Å; K116-I120 VanDerWaalsContact O-N 3.09Å; F117-I120 PolarHBondContact O-N 2.92Å; Q118-I120 VanDerWaalsContact C-N 3.34Å; Q118-I120 PolarHBondContact O-N 3.42Å; I120-S124 WeakPolarHBondContact O-CB 3.48Å; I120-S124 PolarHBondContact O-N 3.24Å; I120-F208 HydrophobicContact CG2-CZ 3.84Å; I120-I212 HydrophobicContact CD1-CG1 4.47Å; I120-I212 HydrophobicContact CD1-CG2 3.92Å; I120-I212 HydrophobicContact CG1-CG1 4.29Å; I120-I212 HydrophobicContact CG2-CD1 4.29Å; I120-I212 HydrophobicContact CG2-CG1 3.85Å; I120-I215 HydrophobicContact CD1-CB 4.21Å; I120-I215 HydrophobicContact CD1-CG2 3.87Å; I120-I215 HydrophobicContact CG1-CB 4.25Å; I120-I215 HydrophobicContact CG1-CD1 3.73Å; I120-I215 HydrophobicContact CG1-CG2 4Å; I120-L216 HydrophobicContact CD1-CD2 3.95Å; I120-L216 HydrophobicContact CD1-CG 4.37Å; I120-L256 HydrophobicContact CD1-CD1 4.5Å; I120-L256 HydrophobicContact CD1-CD2 3.71Å; I120-L256 HydrophobicContact CD1-CG 4.31Å; I120-L256 HydrophobicContact CG2-CD1 4.03Å; I120-T281 HydrophobicContact CG2-CG2 4.08Å
121H94.9Very high90.8Very high10 Ų1026.9 Ų26.95%0.04613%0.125CC..Hα-helixtrans-65.8-40.2176.5177.560.2000112.4F117 Q118 M119 S124 M125 T281 E282 N285F117-H121 WeakPolarHBondContact O-CB 3.38Å; F117-H121 PolarHBondContact O-N 3.2Å; Q118-H121 PolarHBondContact O-N 3.08Å; M119-H121 VanDerWaalsContact C-N 3.34Å; M119-H121 PolarHBondContact O-N 2.98Å; H121-S124 PolarHBondContact O-N 3.07Å; H121-S124 PolarHBondContact O-OG 2.66Å; H121-M125 WeakPolarHBondContact NE2-CE 3.39Å; H121-M125 WeakPolarHBondContact O-CG 3.09Å; H121-M125 PolarHBondContact O-N 3.42Å; H121-T281 PolarHBondContact ND1-OG1 2.85Å; H121-T281 VanDerWaalsContact ND1-OG1 3.17Å; H121-E282 PolarHBondContact ND1-N 3.48Å; H121-N285 HydrophobicContact CB-CB 4.43Å
122E95.5Very high91.3Very high5 Ų529.4 Ų29.42%0.02315%0.145CC..Hα-helixtrans-65.7-40.1177.1-70.2178-179.600112.7Y78 Q118 M119 M125 A126 H154 V155Y78-E122 HydrophobicContact CD1-CB 3.8Å; Y78-E122 HydrophobicContact CD1-CG 3.89Å; Y78-E122 HydrophobicContact CE1-CB 3.94Å; Y78-E122 HydrophobicContact CE1-CG 3.48Å; Y78-E122 VanDerWaalsContact CE1-CG 3.48Å; Y78-E122 HydrophobicContact CG-CB 4.39Å; Q118-E122 HydrophobicContact CG-CG 4.42Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.35Å; Q118-E122 PolarHBondContact NE2-OE1 3.22Å; Q118-E122 VanDerWaalsContact O-CG 3.3Å; Q118-E122 WeakPolarHBondContact O-CG 3.3Å; Q118-E122 PolarHBondContact O-N 2.98Å; M119-E122 PolarHBondContact O-N 3.04Å; E122-M125 HydrophobicContact CB-CE 4.32Å; E122-M125 HydrophobicContact CG-CE 3.95Å; E122-M125 PolarHBondContact O-N 3.46Å; E122-A126 PolarHBondContact O-N 3.48Å; E122-H154 IonicContact OE1-CE1 3.1Å; E122-H154 PolarHBondContact OE1-CE1 3.23Å; E122-H154 IonicContact OE1-CG 2.82Å; E122-H154 IonicContact OE1-ND1 2.84Å; E122-H154 PolarHBondContact OE1-ND1 3.28Å; E122-H154 WeakPolarHBondContact OE2-CA 3.25Å; E122-H154 IonicContact OE2-ND1 3.77Å; E122-V155 HydrophobicContact CB-CB 3.96Å; E122-V155 HydrophobicContact CB-CG2 4.42Å; E122-V155 PolarHBondContact OE2-N 2.87Å
123I97.2Very high91.4Very high0 Ų024.6 Ų24.60%013%0.126CC..Hα-helixtrans-64.6-42.8173.6-61.8156.9000110.4L102 M119 M125 A126 M127 I147 V155 V157 F208 V211 I215L102-I123 HydrophobicContact CD2-CD1 4.5Å; M119-I123 VanDerWaalsContact O-CD1 3.3Å; M119-I123 WeakPolarHBondContact O-CD1 3.37Å; M119-I123 WeakPolarHBondContact O-CG1 3.4Å; M119-I123 PolarHBondContact O-N 3.35Å; I123-M125 VanDerWaalsContact C-N 3.32Å; I123-M125 PolarHBondContact O-N 3.04Å; I123-A126 WeakPolarHBondContact O-CB 3.41Å; I123-A126 PolarHBondContact O-N 3.27Å; I123-M127 HydrophobicContact CG2-CG 4.37Å; I123-M127 WeakPolarHBondContact O-CG 3.34Å; I123-M127 PolarHBondContact O-N 3.32Å; I123-I147 HydrophobicContact CD1-CD1 3.82Å; I123-I147 HydrophobicContact CD1-CG2 4.21Å; I123-I147 HydrophobicContact CG1-CD1 4.19Å; I123-I147 HydrophobicContact CG1-CG2 4.2Å; I123-I147 HydrophobicContact CG2-CD1 4.41Å; I123-V155 HydrophobicContact CD1-CG1 4.46Å; I123-V155 HydrophobicContact CG1-CB 4.36Å; I123-V155 HydrophobicContact CG1-CG1 3.57Å; I123-V155 HydrophobicContact CG1-CG2 4.35Å; I123-V157 HydrophobicContact CG2-CG2 4.4Å; I123-F208 HydrophobicContact CB-CD2 4.47Å; I123-F208 HydrophobicContact CB-CE2 3.79Å; I123-F208 HydrophobicContact CG2-CD2 3.62Å; I123-F208 HydrophobicContact CG2-CE2 3.43Å; I123-F208 VanDerWaalsContact CG2-CE2 3.43Å; I123-V211 HydrophobicContact CD1-CG1 4.04Å; I123-I215 HydrophobicContact CD1-CD1 3.65Å
124S96.6Very high91.4Very high0 Ų032.6 Ų32.60%016%0.162CC..Hα-helixtrans-63-39.4179.676.70000111.5I120 H121 M127 N128 V278 T281I120-S124 WeakPolarHBondContact O-CB 3.48Å; I120-S124 PolarHBondContact O-N 3.24Å; H121-S124 PolarHBondContact O-N 3.07Å; H121-S124 PolarHBondContact O-OG 2.66Å; S124-M127 PolarHBondContact O-N 3.22Å; S124-N128 VanDerWaalsContact O-CB 3.32Å; S124-N128 WeakPolarHBondContact O-CB 3.41Å; S124-N128 PolarHBondContact O-N 2.84Å; S124-V278 VanDerWaalsContact C-CG2 3.45Å; S124-V278 WeakPolarHBondContact O-CG2 3.43Å; S124-V278 WeakPolarHBondContact OG-CG2 3.08Å; S124-T281 PolarHBondContact OG-OG1 3.06Å; S124-T281 VanDerWaalsContact OG-OG1 3.05Å
125M95.1Very high91.5Very high32 Ų3233.5 Ų33.516%0.15818%0.176CC..Hα-helixtrans-63-43.9173.5-74.2-172.4-71.100112.5F76 Y78 H121 E122 I123 M127 N128 F129 V278F76-M125 HydrophobicContact CE1-CB 4.38Å; F76-M125 HydrophobicContact CZ-CB 4.49Å; Y78-M125 HydrophobicContact CD2-CB 3.91Å; Y78-M125 HydrophobicContact CD2-CE 3.84Å; Y78-M125 HydrophobicContact CD2-SD 4.29Å; Y78-M125 HydrophobicContact CE1-CE 4.15Å; Y78-M125 HydrophobicContact CE2-CB 4.21Å; Y78-M125 HydrophobicContact CE2-CE 3.16Å; Y78-M125 HydrophobicContact CE2-SD 3.63Å; Y78-M125 WeakPolarHBondContact OH-CE 3.48Å; H121-M125 WeakPolarHBondContact NE2-CE 3.39Å; H121-M125 WeakPolarHBondContact O-CG 3.09Å; H121-M125 PolarHBondContact O-N 3.42Å; E122-M125 HydrophobicContact CB-CE 4.32Å; E122-M125 HydrophobicContact CG-CE 3.95Å; E122-M125 PolarHBondContact O-N 3.46Å; I123-M125 VanDerWaalsContact C-N 3.32Å; I123-M125 PolarHBondContact O-N 3.04Å; M125-M127 VanDerWaalsContact C-N 3.35Å; M125-M127 PolarHBondContact O-N 3.4Å; M125-N128 PolarHBondContact O-N 3.1Å; M125-F129 PolarHBondContact O-N 2.94Å; M125-V278 HydrophobicContact CG-CG1 4.06Å; M125-V278 HydrophobicContact CG-CG2 4.22Å
126A94.6Very high91.6Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-59.2-46.8176.700000111.6Y78 I79 E122 I123 F129 L130 V157Y78-A126 WeakPolarHBondContact O-CB 3.46Å; I79-A126 HydrophobicContact CD1-CB 4.02Å; E122-A126 PolarHBondContact O-N 3.48Å; I123-A126 WeakPolarHBondContact O-CB 3.41Å; I123-A126 PolarHBondContact O-N 3.27Å; A126-F129 WeakPolarHBondContact O-CB 3.37Å; A126-F129 PolarHBondContact O-N 2.89Å; A126-L130 PolarHBondContact O-N 2.93Å; A126-V157 HydrophobicContact CB-CB 4.12Å; A126-V157 HydrophobicContact CB-CG2 3.54Å
127M96Very high91.5Very high0 Ų036.4 Ų36.40%020%0.198CC..Hα-helixtrans-69.2-38.1179.8-67.7-54.5-52.700112.5I123 S124 M125 F129 L130 H131 H139 L142 V157 D204 F274I123-M127 HydrophobicContact CG2-CG 4.37Å; I123-M127 WeakPolarHBondContact O-CG 3.34Å; I123-M127 PolarHBondContact O-N 3.32Å; S124-M127 PolarHBondContact O-N 3.22Å; M125-M127 VanDerWaalsContact C-N 3.35Å; M125-M127 PolarHBondContact O-N 3.4Å; M127-F129 VanDerWaalsContact C-N 3.3Å; M127-F129 PolarHBondContact O-N 3.36Å; M127-L130 HydrophobicContact CE-CD1 4.49Å; M127-L130 PolarHBondContact O-N 3.21Å; M127-L130 HydrophobicContact SD-CD1 4.19Å; M127-H131 PolarHBondContact O-N 3.43Å; M127-H139 HydrophobicContact CE-CB 3.85Å; M127-H139 HydrophobicContact SD-CB 4.29Å; M127-L142 HydrophobicContact CE-CD2 4.4Å; M127-L142 HydrophobicContact CG-CD2 4.06Å; M127-L142 HydrophobicContact SD-CD1 4.05Å; M127-L142 HydrophobicContact SD-CD2 3.96Å; M127-V157 HydrophobicContact SD-CG1 4.43Å; M127-D204 HydrophobicContact CE-CB 3.67Å; M127-F274 HydrophobicContact CB-CD1 3.55Å; M127-F274 HydrophobicContact CB-CD2 3.9Å; M127-F274 HydrophobicContact CB-CE1 3.37Å; M127-F274 HydrophobicContact CB-CE2 3.71Å; M127-F274 HydrophobicContact CB-CG 3.81Å; M127-F274 HydrophobicContact CB-CZ 3.44Å; M127-F274 VanDerWaalsContact CB-CZ 3.44Å; M127-F274 HydrophobicContact CE-CE2 4.14Å; M127-F274 HydrophobicContact CE-CZ 4.29Å; M127-F274 HydrophobicContact CG-CE1 3.85Å; M127-F274 HydrophobicContact CG-CE2 4.33Å; M127-F274 HydrophobicContact CG-CZ 3.75Å
128N95.8Very high91.5Very high41 Ų4138.3 Ų38.322%0.21921%0.208CC..Hα-helixtrans-60-41.3173.1-171.952.2000111.7S124 M125 H131 S132 F274 S275 V278S124-N128 VanDerWaalsContact O-CB 3.32Å; S124-N128 WeakPolarHBondContact O-CB 3.41Å; S124-N128 PolarHBondContact O-N 2.84Å; M125-N128 PolarHBondContact O-N 3.1Å; N128-H131 PolarHBondContact O-N 3.26Å; N128-S132 VanDerWaalsContact O-CB 3.28Å; N128-S132 WeakPolarHBondContact O-CB 3.39Å; N128-S132 PolarHBondContact O-N 2.92Å; N128-S132 PolarHBondContact O-OG 3.41Å; N128-F274 HydrophobicContact CB-CB 3.86Å; N128-S275 WeakPolarHBondContact OD1-CA 3.46Å; N128-S275 PolarHBondContact OD1-N 2.98Å; N128-S275 VanDerWaalsContact OD1-N 3.08Å; N128-V278 HydrophobicContact CB-CG2 3.7Å
129F93.6Very high91.5Very high62 Ų6236.9 Ų36.927%0.27220%0.201SC..Hα-helixtrans-60.3-45.5175.8173.2-95.9000111.8L74 F76 I79 M125 A126 M127 S132L74-F129 HydrophobicContact CB-CE1 4.19Å; L74-F129 HydrophobicContact CB-CZ 4.5Å; L74-F129 HydrophobicContact CD2-CE1 4.35Å; L74-F129 HydrophobicContact CD2-CZ 4.32Å; F76-F129 HydrophobicContact CB-CD1 3.79Å; F76-F129 HydrophobicContact CB-CD2 4.04Å; F76-F129 HydrophobicContact CB-CE1 3.73Å; F76-F129 HydrophobicContact CB-CE2 3.97Å; F76-F129 HydrophobicContact CB-CG 3.95Å; F76-F129 HydrophobicContact CB-CZ 3.82Å; F76-F129 HydrophobicContact CD1-CB 3.75Å; F76-F129 HydrophobicContact CD1-CD1 4.11Å; F76-F129 HydrophobicContact CD1-CD2 4.26Å; F76-F129 AromaticContact CD1-CG 3.77Å; F76-F129 HydrophobicContact CD1-CG 3.77Å; F76-F129 AromaticContact CD2-CD2 3.77Å; F76-F129 HydrophobicContact CD2-CD2 3.77Å; F76-F129 HydrophobicContact CD2-CE2 4.15Å; F76-F129 HydrophobicContact CD2-CG 4.14Å; F76-F129 HydrophobicContact CE1-CB 3.79Å; F76-F129 HydrophobicContact CE1-CG 4.26Å; F76-F129 HydrophobicContact CE2-CD2 4.28Å; F76-F129 HydrophobicContact CG-CB 4.15Å; F76-F129 HydrophobicContact CG-CD1 4.02Å; F76-F129 AromaticContact CG-CD2 3.77Å; F76-F129 HydrophobicContact CG-CD2 3.77Å; F76-F129 HydrophobicContact CG-CE1 4.39Å; F76-F129 HydrophobicContact CG-CE2 4.16Å; F76-F129 AromaticContact CG-CG 3.69Å; F76-F129 HydrophobicContact CG-CG 3.69Å; F76-F129 HydrophobicContact CG-CZ 4.46Å; F76-F129 HydrophobicContact CZ-CB 4.26Å; I79-F129 HydrophobicContact CG1-CD1 4.03Å; I79-F129 HydrophobicContact CG1-CE1 4.45Å; M125-F129 PolarHBondContact O-N 2.94Å; A126-F129 WeakPolarHBondContact O-CB 3.37Å; A126-F129 PolarHBondContact O-N 2.89Å; M127-F129 VanDerWaalsContact C-N 3.3Å; M127-F129 PolarHBondContact O-N 3.36Å; F129-S132 PolarHBondContact O-N 3.28Å
130L90.5Very high91.2Very high1 Ų137 Ų371%0.00520%0.202CC..Hα-helixtrans-63.5-43.1177.1-65.5179.4000112.3I79 A126 M127 S132 A133 L137 F160I79-L130 HydrophobicContact CD1-CD1 4.03Å; I79-L130 HydrophobicContact CD1-CD2 3.96Å; I79-L130 HydrophobicContact CD1-CG 3.9Å; A126-L130 PolarHBondContact O-N 2.93Å; M127-L130 HydrophobicContact CE-CD1 4.49Å; M127-L130 PolarHBondContact O-N 3.21Å; M127-L130 HydrophobicContact SD-CD1 4.19Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3Å; L130-A133 WeakPolarHBondContact O-CB 3.32Å; L130-A133 PolarHBondContact O-N 3.4Å; L130-L137 HydrophobicContact CB-CB 4.32Å; L130-L137 WeakPolarHBondContact CB-O 3.39Å; L130-L137 HydrophobicContact CD2-CB 4.44Å; L130-L137 HydrophobicContact CD2-CD1 4.5Å; L130-L137 PolarHBondContact O-N 3.19Å; L130-F160 HydrophobicContact CD1-CB 4.14Å; L130-F160 HydrophobicContact CD1-CD2 4.26Å; L130-F160 HydrophobicContact CD1-CG 4.16Å; L130-F160 HydrophobicContact CD2-CD2 3.82Å; L130-F160 HydrophobicContact CD2-CE2 3.86Å; L130-F160 HydrophobicContact CD2-CG 4.46Å
131H92.7Very high90.9Very high24 Ų2437 Ų3711%0.11120%0.202CC..Hα-helixtrans-75.1-21.1-178.6-73.7-159.5000113.7M127 N128 A133 L137 T201 D204 F274M127-H131 PolarHBondContact O-N 3.43Å; N128-H131 PolarHBondContact O-N 3.26Å; H131-A133 VanDerWaalsContact C-N 3.26Å; H131-A133 PolarHBondContact O-N 2.73Å; H131-L137 PolarHBondContact CD2-O 3.4Å; H131-T201 HydrophobicContact CB-CG2 4.46Å; H131-T201 VanDerWaalsContact CE1-CB 3.5Å; H131-T201 WeakPolarHBondContact CE1-CB 3.36Å; H131-T201 PolarHBondContact CE1-O 2.99Å; H131-T201 WeakPolarHBondContact ND1-CB 3.42Å; H131-T201 WeakPolarHBondContact ND1-CG2 3.47Å; H131-D204 IonicContact CD2-OD2 3.95Å; H131-D204 IonicContact CE1-OD2 3.19Å; H131-D204 IonicContact NE2-OD2 3.85Å; H131-D204 PolarHBondContact NE2-OD2 3.07Å; H131-F274 AromaticContact CE1-CD2 3.51Å; H131-F274 AromaticContact CE1-CE2 3.53Å; H131-F274 AromaticContact ND1-CD2 3.37Å; H131-F274 WeakPolarHBondContact ND1-CD2 3.35Å; H131-F274 AromaticContact ND1-CE2 3.9Å
132S88.5Confident90.8Very high75 Ų7536.6 Ų36.652%0.52420%0.2SC..THydrogen-bonded Turntrans-76.9-11.4175.4-61.50000113.3N128 F129 L130N128-S132 VanDerWaalsContact O-CB 3.28Å; N128-S132 WeakPolarHBondContact O-CB 3.39Å; N128-S132 PolarHBondContact O-N 2.92Å; N128-S132 PolarHBondContact O-OG 3.41Å; F129-S132 PolarHBondContact O-N 3.28Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3Å
133A83.8Confident90.7Very high30 Ų3037.5 Ų37.525%0.24820%0.204CC..SBendtrans-62.4154.4172.600000111.1L130 H131 P135 P136 L137L130-A133 WeakPolarHBondContact O-CB 3.32Å; L130-A133 PolarHBondContact O-N 3.4Å; H131-A133 VanDerWaalsContact C-N 3.26Å; H131-A133 PolarHBondContact O-N 2.73Å; A133-P135 VanDerWaalsContact C-C 3.42Å; A133-P135 CarbonylContact C-O 3.43Å; A133-P135 WeakPolarHBondContact CB-O 3.36Å; A133-P135 CarbonylContact O-C 3.56Å; A133-P136 VanDerWaalsContact O-CA 3.27Å; A133-P136 WeakPolarHBondContact O-CA 3.43Å; A133-L137 HydrophobicContact CB-CD1 4.09Å; A133-L137 HydrophobicContact CB-CG 3.88Å
134K80.9Confident90.4Very high208 Ų20837.5 Ų37.590%0.90420%0.204SC*.SBendtrans-121.3106177.4-68.5-175.9-179.5179.70109.5
135P82.5Confident90.1Very high108 Ų10839.4 Ų39.470%0.70122%0.217SC*.SBendcis-69.6160.5-3.831-35.8000113.2A133 L137A133-P135 VanDerWaalsContact C-C 3.42Å; A133-P135 CarbonylContact C-O 3.43Å; A133-P135 WeakPolarHBondContact CB-O 3.36Å; A133-P135 CarbonylContact O-C 3.56Å; P135-L137 PolarHBondContact O-N 2.88Å
136P85.6Confident90Very high66 Ų6638.3 Ų38.343%0.42921%0.212SC..  trans-56.4131.7178.3-27.235.5000112.1A133 T201A133-P136 VanDerWaalsContact O-CA 3.27Å; A133-P136 WeakPolarHBondContact O-CA 3.43Å; P136-T201 HydrophobicContact CB-CG2 4.11Å
137L87.8Confident90Very high66 Ų6638.3 Ų38.335%0.34621%0.212SC..  trans-86.5114.1174.6-66.1173.9000109.2L74 L130 H131 A133 P135L74-L137 HydrophobicContact CD1-CD1 3.45Å; L74-L137 VanDerWaalsContact CD1-CD1 3.45Å; L74-L137 HydrophobicContact CD2-CD1 4.49Å; L130-L137 HydrophobicContact CB-CB 4.32Å; L130-L137 WeakPolarHBondContact CB-O 3.39Å; L130-L137 HydrophobicContact CD2-CB 4.44Å; L130-L137 HydrophobicContact CD2-CD1 4.5Å; L130-L137 PolarHBondContact O-N 3.19Å; H131-L137 PolarHBondContact CD2-O 3.4Å; A133-L137 HydrophobicContact CB-CD1 4.09Å; A133-L137 HydrophobicContact CB-CG 3.88Å; P135-L137 PolarHBondContact O-N 2.88Å
138L89.1Confident89.9Confident44 Ų4439.8 Ų39.823%0.2322%0.22CC..  trans-87.2140178.7-55.3179.8000110.8L140 P199 T201 D204L138-L140 HydrophobicContact CB-CD1 4.38Å; L138-L140 HydrophobicContact CB-CD2 3.87Å; L138-L140 HydrophobicContact CB-CG 3.82Å; L138-L140 HydrophobicContact CD1-CD2 4.13Å; L138-P199 WeakPolarHBondContact CD1-O 3.34Å; L138-T201 HydrophobicContact CD2-CG2 3.81Å; L138-D204 WeakPolarHBondContact CA-OD2 3.27Å
139H90.9Very high89.8Confident0 Ų037.8 Ų37.80%021%0.209CC..  trans-82.6-44.6176.6-170.9-33.5000111.6M127 N141 L142 V157 S158 F160 D204M127-H139 HydrophobicContact CE-CB 3.85Å; M127-H139 HydrophobicContact SD-CB 4.29Å; H139-N141 VanDerWaalsContact CE1-C 3.4Å; H139-N141 PolarHBondContact CE1-O 3.34Å; H139-N141 PolarHBondContact ND1-N 3.12Å; H139-N141 PolarHBondContact O-N 3.33Å; H139-L142 PolarHBondContact ND1-N 3.35Å; H139-V157 WeakPolarHBondContact CD2-CG1 3.41Å; H139-V157 WeakPolarHBondContact NE2-CG1 3.45Å; H139-S158 PolarHBondContact CE1-O 3.3Å; H139-S158 PolarHBondContact NE2-O 2.76Å; H139-F160 HydrophobicContact CB-CB 4.37Å; H139-D204 PolarHBondContact N-OD1 3.48Å; H139-D204 PolarHBondContact N-OD2 3.45Å
140L88.7Confident89.5Confident4 Ų436.7 Ų36.72%0.02121%0.206CC..SBendtrans58.70.2178.9-54.1-179.1000116.2L138 V163 F174 L178 N183 P199 F203 D204L138-L140 HydrophobicContact CB-CD1 4.38Å; L138-L140 HydrophobicContact CB-CD2 3.87Å; L138-L140 HydrophobicContact CB-CG 3.82Å; L138-L140 HydrophobicContact CD1-CD2 4.13Å; L140-V163 HydrophobicContact CB-CB 4.29Å; L140-V163 HydrophobicContact CB-CG1 4.05Å; L140-F174 HydrophobicContact CD1-CE2 4.23Å; L140-F174 HydrophobicContact CD1-CZ 4.21Å; L140-L178 WeakPolarHBondContact O-CD2 3.36Å; L140-N183 PolarHBondContact O-ND2 3.1Å; L140-P199 HydrophobicContact CD1-CG 4.22Å; L140-P199 HydrophobicContact CD2-CB 3.86Å; L140-P199 HydrophobicContact CD2-CG 3.98Å; L140-F203 HydrophobicContact CB-CE1 4.48Å; L140-F203 HydrophobicContact CD2-CB 4.35Å; L140-F203 HydrophobicContact CD2-CD1 3.89Å; L140-F203 HydrophobicContact CD2-CE1 4.38Å; L140-F203 HydrophobicContact CD2-CG 4.03Å; L140-F203 WeakPolarHBondContact O-CE1 3.26Å; L140-D204 PolarHBondContact N-OD1 2.93Å
141N88.7Confident89.2Confident2 Ų242.4 Ų42.41%0.01124%0.237CC..  trans-148.535.3-175.7-168.135.8000110.7H139 K143 N146 V163H139-N141 VanDerWaalsContact CE1-C 3.4Å; H139-N141 PolarHBondContact CE1-O 3.34Å; H139-N141 PolarHBondContact ND1-N 3.12Å; H139-N141 PolarHBondContact O-N 3.33Å; N141-K143 PolarHBondContact O-N 2.87Å; N141-N146 PolarHBondContact ND2-ND2 3.37Å; N141-N146 PolarHBondContact O-ND2 3.44Å; N141-V163 HydrophobicContact CB-CG2 4.06Å
142L93.5Very high88.6Confident0 Ų047.5 Ų47.50%026%0.261CS..  trans-75.5119.1179.7-178.467.3000109.7M127 H139 I147 V157 F208 V211M127-L142 HydrophobicContact CE-CD2 4.4Å; M127-L142 HydrophobicContact CG-CD2 4.06Å; M127-L142 HydrophobicContact SD-CD1 4.05Å; M127-L142 HydrophobicContact SD-CD2 3.96Å; H139-L142 PolarHBondContact ND1-N 3.35Å; L142-I147 HydrophobicContact CD1-CD1 4.18Å; L142-I147 HydrophobicContact CD1-CG1 4.29Å; L142-V157 HydrophobicContact CD1-CG1 4.19Å; L142-F208 HydrophobicContact CD2-CB 3.82Å; L142-F208 HydrophobicContact CD2-CD2 4.28Å; L142-V211 HydrophobicContact CG-CG2 4.41Å
143K91.8Very high88.4Confident24 Ų2446 Ų4610%0.10425%0.246CC..  trans-158.5160.8-179.856179.8-179.41590110.1N141 S145 N146 I147 R181 Y186N141-K143 PolarHBondContact O-N 2.87Å; K143-S145 WeakPolarHBondContact CD-OG 3.21Å; K143-S145 WeakPolarHBondContact CE-OG 3.22Å; K143-S145 WeakPolarHBondContact CG-OG 3.4Å; K143-S145 PolarHBondContact NZ-OG 2.97Å; K143-S145 PolarHBondContact O-N 3.47Å; K143-N146 VanDerWaalsContact CE-ND2 3.33Å; K143-N146 WeakPolarHBondContact CE-ND2 3.11Å; K143-N146 WeakPolarHBondContact CE-OD1 3.4Å; K143-N146 HydrophobicContact CG-CB 4.2Å; K143-N146 PolarHBondContact O-N 3.02Å; K143-I147 WeakPolarHBondContact O-CG1 3.47Å; K143-I147 PolarHBondContact O-N 3.43Å; K143-R181 PolarHBondContact NZ-O 2.8Å; K143-Y186 HydrophobicContact CB-CD1 4.12Å; K143-Y186 HydrophobicContact CB-CD2 3.82Å; K143-Y186 HydrophobicContact CB-CE1 3.84Å; K143-Y186 HydrophobicContact CB-CE2 3.5Å; K143-Y186 HydrophobicContact CB-CG 4.13Å
144T92.4Very high88.7Confident0 Ų046.9 Ų46.90%025%0.245CC..G310 helixtrans-59.1-22.1-177.951.50000114.3L102 N103 L106 Y186 V211 E214L102-T144 WeakPolarHBondContact CB-O 3.49Å; L102-T144 HydrophobicContact CD2-CG2 4.29Å; L102-T144 PolarHBondContact N-O 3.07Å; N103-T144 PolarHBondContact N-O 3.4Å; L106-T144 HydrophobicContact CD1-CG2 3.82Å; T144-Y186 PolarHBondContact OG1-OH 3.48Å; T144-V211 HydrophobicContact CG2-CG1 4.31Å; T144-V211 HydrophobicContact CG2-CG2 4.48Å; T144-E214 HydrophobicContact CG2-CB 4.01Å; T144-E214 VanDerWaalsContact CG2-OE2 3.26Å; T144-E214 WeakPolarHBondContact CG2-OE2 3.48Å
145S89.5Confident89.3Confident40 Ų4037 Ų3728%0.2820%0.202SC..G310 helixtrans-78.4-19.2174.4430000114.4K143K143-S145 WeakPolarHBondContact CD-OG 3.21Å; K143-S145 WeakPolarHBondContact CE-OG 3.22Å; K143-S145 WeakPolarHBondContact CG-OG 3.4Å; K143-S145 PolarHBondContact NZ-OG 2.97Å; K143-S145 PolarHBondContact O-N 3.47Å
146N92.1Very high89.9Confident9 Ų933.3 Ų33.35%0.04818%0.175CC..G310 helixtrans-100.58.1177.3-66.5-6.4000112.2N141 K143 S158 D159N141-N146 PolarHBondContact ND2-ND2 3.37Å; N141-N146 PolarHBondContact O-ND2 3.44Å; K143-N146 VanDerWaalsContact CE-ND2 3.33Å; K143-N146 WeakPolarHBondContact CE-ND2 3.11Å; K143-N146 WeakPolarHBondContact CE-OD1 3.4Å; K143-N146 HydrophobicContact CG-CB 4.2Å; K143-N146 PolarHBondContact O-N 3.02Å; N146-S158 VanDerWaalsContact C-OG 3.31Å; N146-S158 WeakPolarHBondContact O-CB 3.44Å; N146-S158 PolarHBondContact O-N 2.81Å; N146-S158 PolarHBondContact O-OG 3.41Å; N146-D159 HydrophobicContact CB-CB 4.32Å; N146-D159 PolarHBondContact OD1-OD2 2.9Å
147I95.4Very high90.3Very high0 Ų030.2 Ų30.20%016%0.155CC..EExtended strand (participates in β ladder)trans-108.5115.7176.3-64170.5000106.2S101 L102 I123 L142 K143 V155 V211S101-I147 CarbonylContact C-O 3.6Å; S101-I147 WeakPolarHBondContact CA-O 3.09Å; L102-I147 HydrophobicContact CB-CB 4.11Å; L102-I147 HydrophobicContact CB-CG2 4.02Å; L102-I147 WeakPolarHBondContact CB-O 3.39Å; L102-I147 HydrophobicContact CD2-CB 4.24Å; L102-I147 HydrophobicContact CD2-CD1 4.4Å; L102-I147 HydrophobicContact CD2-CG2 3.81Å; L102-I147 PolarHBondContact N-O 3.29Å; I123-I147 HydrophobicContact CD1-CD1 3.82Å; I123-I147 HydrophobicContact CD1-CG2 4.21Å; I123-I147 HydrophobicContact CG1-CD1 4.19Å; I123-I147 HydrophobicContact CG1-CG2 4.2Å; I123-I147 HydrophobicContact CG2-CD1 4.41Å; L142-I147 HydrophobicContact CD1-CD1 4.18Å; L142-I147 HydrophobicContact CD1-CG1 4.29Å; K143-I147 WeakPolarHBondContact O-CG1 3.47Å; K143-I147 PolarHBondContact O-N 3.43Å; I147-V155 HydrophobicContact CG2-CB 4.43Å; I147-V155 HydrophobicContact CG2-CG1 3.32Å; I147-V155 HydrophobicContact CG2-CG2 4.34Å; I147-V211 HydrophobicContact CD1-CG1 3.65Å; I147-V211 HydrophobicContact CD1-CG2 4.25Å
148L94.6Very high90.5Very high31 Ų3127.3 Ų27.316%0.16214%0.14CC..EExtended strand (participates in β ladder)trans-108153.6-174.5-55.7-174.2000111.3L80 M97 G100 V155 K156L80-L148 HydrophobicContact CD1-CD1 3.88Å; L80-L148 HydrophobicContact CD2-CD1 3.93Å; M97-L148 HydrophobicContact CB-CB 3.79Å; M97-L148 HydrophobicContact CB-CD1 4.23Å; M97-L148 HydrophobicContact CE-CB 4.14Å; M97-L148 HydrophobicContact CG-CB 3.64Å; M97-L148 HydrophobicContact CG-CD1 3.88Å; M97-L148 HydrophobicContact CG-CG 4.41Å; G100-L148 CarbonylContact O-C 3.57Å; G100-L148 VanDerWaalsContact O-CA 3.3Å; G100-L148 WeakPolarHBondContact O-CA 3.02Å; L148-V155 CarbonylContact O-C 3.53Å; L148-V155 WeakPolarHBondContact O-CA 3.16Å; L148-K156 PolarHBondContact N-O 2.81Å; L148-K156 PolarHBondContact O-N 3.38Å
149L92.3Very high90.1Very high0 Ų026.7 Ų26.70%014%0.137CC..EExtended strand (participates in β ladder)trans-123.4134.3-175.4-67.9164.1000111.7M97 N99 G100 L102 L105 M119 L153 H154 V155M97-L149 CarbonylContact C-O 3.47Å; M97-L149 VanDerWaalsContact CE-C 3.45Å; N99-L149 HydrophobicContact CB-CB 3.83Å; N99-L149 PolarHBondContact N-O 3.41Å; G100-L149 PolarHBondContact O-N 3.06Å; L102-L149 HydrophobicContact CB-CD1 4.25Å; L102-L149 HydrophobicContact CD1-CD1 3.9Å; L105-L149 HydrophobicContact CB-CD1 4.44Å; L105-L149 HydrophobicContact CD1-CD1 3.66Å; L105-L149 HydrophobicContact CD2-CD1 3.92Å; L105-L149 HydrophobicContact CG-CD1 4.21Å; M119-L149 HydrophobicContact CE-CD1 4.28Å; M119-L149 HydrophobicContact CE-CD2 3.99Å; L149-L153 HydrophobicContact CD1-CD2 4.45Å; L149-L153 WeakPolarHBondContact CD2-O 3.37Å; L149-H154 WeakPolarHBondContact CA-O 3.16Å; L149-V155 HydrophobicContact CD2-CG2 3.72Å
150D88.1Confident89.5Confident38 Ų3827.3 Ų27.320%0.20314%0.14CC..  trans-84.8-177.8174.475.52.9000111.6M97 N99 H152 L153 H154M97-D150 HydrophobicContact CE-CB 3.92Å; N99-D150 PolarHBondContact ND2-O 3.35Å; D150-H152 PolarHBondContact O-N 3.34Å; D150-H152 WeakPolarHBondContact OD1-CA 3.29Å; D150-H152 PolarHBondContact OD1-N 2.97Å; D150-L153 PolarHBondContact O-N 3.09Å; D150-L153 PolarHBondContact OD1-N 2.92Å; D150-L153 VanDerWaalsContact OD1-N 3.14Å; D150-H154 PolarHBondContact N-O 2.98Å; D150-H154 VanDerWaalsContact N-O 3.16Å; D150-H154 PolarHBondContact OD1-N 3.42Å; D150-H154 IonicContact OD2-CD2 2.69Å
151D83.3Confident88.7Confident122 Ų12228.2 Ų28.265%0.65215%0.15SC*.THydrogen-bonded Turntrans-56.2-23.2179.8-71.5-40.4000113.8S98S98-D151 WeakPolarHBondContact CB-OD1 3.17Å; S98-D151 WeakPolarHBondContact OG-CA 3.44Å; S98-D151 PolarHBondContact OG-N 3.4Å; S98-D151 VanDerWaalsContact OG-N 3.12Å; S98-D151 PolarHBondContact OG-OD1 2.88Å
152H81.2Confident87.9Confident131 Ų13128.8 Ų28.861%0.60615%0.153SC*.THydrogen-bonded Turntrans-1028.2-177.9-54.691.2000112.8D150 H154D150-H152 PolarHBondContact O-N 3.34Å; D150-H152 WeakPolarHBondContact OD1-CA 3.29Å; D150-H152 PolarHBondContact OD1-N 2.97Å; H152-H154 PolarHBondContact O-N 3.37Å
153L84Confident86.9Confident42 Ų4229.1 Ų29.122%0.2216%0.155CC..  trans62.427.8-174.4-54.5170.2000113.3L105 F111 M119 L149 D150L105-L153 HydrophobicContact CD2-CD2 3.74Å; F111-L153 HydrophobicContact CE1-CD1 4.16Å; M119-L153 HydrophobicContact CE-CB 4.14Å; L149-L153 HydrophobicContact CD1-CD2 4.45Å; L149-L153 WeakPolarHBondContact CD2-O 3.37Å; D150-L153 PolarHBondContact O-N 3.09Å; D150-L153 PolarHBondContact OD1-N 2.92Å; D150-L153 VanDerWaalsContact OD1-N 3.14Å
154H89.7Confident86.1Confident49 Ų4931.7 Ų31.723%0.22717%0.167CC..  trans-79.3140.1168-73.4-62000110.9Q118 E122 L149 D150 H152Q118-H154 PolarHBondContact NE2-CE1 2.97Å; Q118-H154 PolarHBondContact NE2-ND1 2.89Å; E122-H154 IonicContact OE1-CE1 3.1Å; E122-H154 PolarHBondContact OE1-CE1 3.23Å; E122-H154 IonicContact OE1-CG 2.82Å; E122-H154 IonicContact OE1-ND1 2.84Å; E122-H154 PolarHBondContact OE1-ND1 3.28Å; E122-H154 WeakPolarHBondContact OE2-CA 3.25Å; E122-H154 IonicContact OE2-ND1 3.77Å; L149-H154 WeakPolarHBondContact CA-O 3.16Å; D150-H154 PolarHBondContact N-O 2.98Å; D150-H154 VanDerWaalsContact N-O 3.16Å; D150-H154 PolarHBondContact OD1-N 3.42Å; D150-H154 IonicContact OD2-CD2 2.69Å; H152-H154 PolarHBondContact O-N 3.37Å
155V94.4Very high85.1Confident0 Ų034.7 Ų34.70%018%0.179CC..EExtended strand (participates in β ladder)trans-84137.6-175.9174.40000111.7Y78 M119 E122 I123 I147 L148 L149Y78-V155 WeakPolarHBondContact CD1-O 3.41Å; M119-V155 HydrophobicContact CB-CG2 3.91Å; M119-V155 HydrophobicContact CG-CG2 3.83Å; E122-V155 HydrophobicContact CB-CB 3.96Å; E122-V155 HydrophobicContact CB-CG2 4.42Å; E122-V155 PolarHBondContact OE2-N 2.87Å; I123-V155 HydrophobicContact CD1-CG1 4.46Å; I123-V155 HydrophobicContact CG1-CB 4.36Å; I123-V155 HydrophobicContact CG1-CG1 3.57Å; I123-V155 HydrophobicContact CG1-CG2 4.35Å; I147-V155 HydrophobicContact CG2-CB 4.43Å; I147-V155 HydrophobicContact CG2-CG1 3.32Å; I147-V155 HydrophobicContact CG2-CG2 4.34Å; L148-V155 CarbonylContact O-C 3.53Å; L148-V155 WeakPolarHBondContact O-CA 3.16Å; L149-V155 HydrophobicContact CD2-CG2 3.72Å
156K94.5Very high84.4Confident32 Ų3235.9 Ų35.914%0.13918%0.18CC..EExtended strand (participates in β ladder)trans-129.4129160.1-59.2-167177.3-156.50112.5K77 Y78 L80 E95 M97 L148K77-K156 WeakPolarHBondContact O-CE 3.38Å; Y78-K156 WeakPolarHBondContact O-CA 3.48Å; L80-K156 HydrophobicContact CB-CB 4.46Å; L80-K156 HydrophobicContact CD1-CB 4.29Å; E95-K156 WeakPolarHBondContact OE1-CD 3.49Å; E95-K156 WeakPolarHBondContact OE1-CE 3.48Å; E95-K156 IonicContact OE1-NZ 2.82Å; E95-K156 PolarHBondContact OE1-NZ 3.07Å; E95-K156 IonicContact OE2-NZ 2.82Å; E95-K156 PolarHBondContact OE2-NZ 3.18Å; M97-K156 HydrophobicContact CE-CB 3.82Å; M97-K156 HydrophobicContact CE-CD 3.86Å; M97-K156 HydrophobicContact CE-CG 3.7Å; M97-K156 HydrophobicContact SD-CD 3.97Å; M97-K156 HydrophobicContact SD-CG 4.45Å; L148-K156 PolarHBondContact N-O 2.81Å; L148-K156 PolarHBondContact O-N 3.38Å
157V94.8Very high83Confident0 Ų043.4 Ų43.40%022%0.22CC..EExtended strand (participates in β ladder)trans-80.9131.3177.2178.10000109.5Y78 I79 L80 I123 A126 M127 H139 L142Y78-V157 PolarHBondContact O-N 3.11Å; I79-V157 HydrophobicContact CD1-CB 4.24Å; L80-V157 WeakPolarHBondContact CB-O 3.25Å; L80-V157 PolarHBondContact N-O 3.39Å; I123-V157 HydrophobicContact CG2-CG2 4.4Å; A126-V157 HydrophobicContact CB-CB 4.12Å; A126-V157 HydrophobicContact CB-CG2 3.54Å; M127-V157 HydrophobicContact SD-CG1 4.43Å; H139-V157 WeakPolarHBondContact CD2-CG1 3.41Å; H139-V157 WeakPolarHBondContact NE2-CG1 3.45Å; L142-V157 HydrophobicContact CD1-CG1 4.19Å
158S91.1Very high81.4Confident5 Ų547.5 Ų47.54%0.03526%0.263CS..  trans-125.1174.7-175.271.50000111.7H139 N146 F160H139-S158 PolarHBondContact CE1-O 3.3Å; H139-S158 PolarHBondContact NE2-O 2.76Å; N146-S158 VanDerWaalsContact C-OG 3.31Å; N146-S158 WeakPolarHBondContact O-CB 3.44Å; N146-S158 PolarHBondContact O-N 2.81Å; N146-S158 PolarHBondContact O-OG 3.41Å; S158-F160 PolarHBondContact O-N 3.05Å
159D81.5Confident80.5Confident32 Ų3247.2 Ų47.217%0.17126%0.261CS..SBendtrans59.414.5174.4-75.70.6000116.3K49 N146 L162K49-D159 IonicContact NZ-OD1 3.89Å; K49-D159 PolarHBondContact NZ-OD1 3.06Å; K49-D159 IonicContact NZ-OD2 3.09Å; K49-D159 PolarHBondContact NZ-OD2 3.23Å; N146-D159 HydrophobicContact CB-CB 4.32Å; N146-D159 PolarHBondContact OD1-OD2 2.9Å; D159-L162 HydrophobicContact CB-CD1 3.79Å; D159-L162 WeakPolarHBondContact OD1-CD1 3.42Å
160F78.8Confident79.5Confident12 Ų1250.7 Ų50.75%0.05328%0.284CS..THydrogen-bonded Turntrans-71.7147171.265.5-81.2000110.6I71 L74 I79 L130 H139 S158 L162I71-F160 HydrophobicContact CB-CE2 4.33Å; I71-F160 HydrophobicContact CG1-CE2 4.23Å; I71-F160 HydrophobicContact CG2-CD2 4.25Å; I71-F160 HydrophobicContact CG2-CE1 4.25Å; I71-F160 HydrophobicContact CG2-CE2 3.33Å; I71-F160 HydrophobicContact CG2-CZ 3.31Å; L74-F160 HydrophobicContact CD1-CE2 4.08Å; I79-F160 HydrophobicContact CD1-CE1 4.42Å; I79-F160 HydrophobicContact CG2-CD1 4.5Å; I79-F160 HydrophobicContact CG2-CE1 3.4Å; I79-F160 HydrophobicContact CG2-CE2 4.36Å; I79-F160 HydrophobicContact CG2-CZ 3.29Å; L130-F160 HydrophobicContact CD1-CB 4.14Å; L130-F160 HydrophobicContact CD1-CD2 4.26Å; L130-F160 HydrophobicContact CD1-CG 4.16Å; L130-F160 HydrophobicContact CD2-CD2 3.82Å; L130-F160 HydrophobicContact CD2-CE2 3.86Å; L130-F160 HydrophobicContact CD2-CG 4.46Å; H139-F160 HydrophobicContact CB-CB 4.37Å; S158-F160 PolarHBondContact O-N 3.05Å; F160-L162 PolarHBondContact O-N 3.15Å
161G71.1Confident78.8Confident24 Ų2451 Ų5125%0.24728%0.284CS..THydrogen-bonded Turntrans74-3.8-175.400000115.7
162L72.3Confident78.4Confident13 Ų1348.8 Ų48.87%0.06828%0.275CS..SBendtrans-79.1-21.2172.9-64-177.6000113.6F60 T64 L68 D159 F160F60-L162 HydrophobicContact CZ-CB 4.47Å; F60-L162 HydrophobicContact CZ-CD2 4.36Å; T64-L162 HydrophobicContact CG2-CD2 4.48Å; L68-L162 HydrophobicContact CD2-CD2 4.45Å; D159-L162 HydrophobicContact CB-CD1 3.79Å; D159-L162 WeakPolarHBondContact OD1-CD1 3.42Å; F160-L162 PolarHBondContact O-N 3.15Å
163V72.9Confident78.1Confident8 Ų845 Ų455%0.04826%0.261CS..SBendtrans-116.3122.4171.8179.30000106.1L140 N141 F174 L178L140-V163 HydrophobicContact CB-CB 4.29Å; L140-V163 HydrophobicContact CB-CG1 4.05Å; N141-V163 HydrophobicContact CB-CG2 4.06Å; V163-F174 HydrophobicContact CG1-CE2 3.79Å; V163-F174 HydrophobicContact CG1-CZ 4.5Å; V163-L178 HydrophobicContact CG1-CD2 3.96Å
164H73.4Confident78Confident77 Ų7743.2 Ų43.236%0.35625%0.252SS..  trans-136.3155.1176.963.190.7000110.1E166H164-E166 VanDerWaalsContact CE1-CD 3.44Å; H164-E166 WeakPolarHBondContact CE1-CG 3.28Å; H164-E166 IonicContact CE1-OE1 3.31Å; H164-E166 PolarHBondContact CE1-OE1 2.95Å; H164-E166 VanDerWaalsContact CE1-OE1 3.25Å; H164-E166 VanDerWaalsContact ND1-CG 3.31Å; H164-E166 WeakPolarHBondContact ND1-CG 2.9Å
165W73.3Confident77.4Confident63 Ų6342.8 Ų42.824%0.23925%0.25CS..  trans-82.1133.8169.1-172.3-95.6000108.8K171 F174 P199W165-K171 HydrophobicContact CH2-CG 4.24Å; W165-F174 HydrophobicContact CE3-CB 4.3Å; W165-F174 HydrophobicContact CE3-CD1 4.18Å; W165-F174 AromaticContact CE3-CD2 3.97Å; W165-F174 HydrophobicContact CE3-CD2 3.97Å; W165-F174 HydrophobicContact CE3-CE2 4.32Å; W165-F174 AromaticContact CE3-CG 3.89Å; W165-F174 HydrophobicContact CE3-CG 3.89Å; W165-F174 HydrophobicContact CZ3-CB 3.87Å; W165-F174 AromaticContact CZ3-CD1 3.92Å; W165-F174 HydrophobicContact CZ3-CD1 3.92Å; W165-F174 HydrophobicContact CZ3-CD2 4.33Å; W165-F174 AromaticContact CZ3-CG 3.79Å; W165-F174 HydrophobicContact CZ3-CG 3.79Å; W165-P199 HydrophobicContact CB-CG 4.17Å; W165-P199 VanDerWaalsContact CD2-CD 3.49Å; W165-P199 HydrophobicContact CD2-CG 4.33Å; W165-P199 VanDerWaalsContact CE3-CD 3.43Å; W165-P199 HydrophobicContact CE3-CG 4.03Å; W165-P199 HydrophobicContact CG-CG 4.42Å
166E73.7Confident76.5Confident65 Ų6548.8 Ų48.830%0.30428%0.278SS..  trans-110.4137.2175.3-65173.7129.100108.3H164 G168 M169 R177H164-E166 VanDerWaalsContact CE1-CD 3.44Å; H164-E166 WeakPolarHBondContact CE1-CG 3.28Å; H164-E166 IonicContact CE1-OE1 3.31Å; H164-E166 PolarHBondContact CE1-OE1 2.95Å; H164-E166 VanDerWaalsContact CE1-OE1 3.25Å; H164-E166 VanDerWaalsContact ND1-CG 3.31Å; H164-E166 WeakPolarHBondContact ND1-CG 2.9Å; E166-G168 PolarHBondContact O-N 3.11Å; E166-M169 HydrophobicContact CB-CB 4.23Å; E166-M169 WeakPolarHBondContact O-CB 3.3Å; E166-M169 PolarHBondContact O-N 3.44Å; E166-R177 IonicContact OE2-CZ 2.78Å; E166-R177 IonicContact OE2-NH1 3.71Å; E166-R177 PolarHBondContact OE2-NH1 2.91Å; E166-R177 IonicContact OE2-NH2 2.92Å; E166-R177 PolarHBondContact OE2-NH2 3.2Å
167D62.9Low75.7Confident167 Ų16752.2 Ų52.289%0.89329%0.29SS*.THydrogen-bonded Turntrans-60.1122.9176.1-70.1-28.5000110
168G61.8Low74.9Confident87 Ų8752.2 Ų52.290%0.89729%0.29SS*.THydrogen-bonded Turntrans90.72-173.800000115.4E166E166-G168 PolarHBondContact O-N 3.11Å
169M75.7Confident74.1Confident24 Ų2454.4 Ų54.412%0.11830%0.303CS..  trans-71.3130.7175.9-168.8177.2-164.100112.1E166 T173 F174 R177E166-M169 HydrophobicContact CB-CB 4.23Å; E166-M169 WeakPolarHBondContact O-CB 3.3Å; E166-M169 PolarHBondContact O-N 3.44Å; M169-T173 HydrophobicContact CE-CG2 3.65Å; M169-F174 HydrophobicContact CE-CB 4.23Å; M169-F174 HydrophobicContact SD-CB 4.17Å; M169-F174 HydrophobicContact SD-CD2 4.32Å; M169-R177 HydrophobicContact CE-CG 4.45Å; M169-R177 VanDerWaalsContact CE-NH1 3.34Å
170C70.7Confident73.7Confident73 Ų7355 Ų5549%0.49331%0.313SS..  trans-74.9141.3173.3-170.80000111.2T172 T173 F174C170-T172 PolarHBondContact O-N 2.9Å; C170-T172 PolarHBondContact SG-OG1 2.94Å; C170-T173 WeakPolarHBondContact O-CB 3.46Å; C170-T173 PolarHBondContact O-N 3.12Å; C170-T173 VanDerWaalsContact O-N 3.1Å; C170-F174 PolarHBondContact O-N 3.24Å; C170-F174 VanDerWaalsContact O-N 3.14Å
171K73.4Confident73.4Confident45 Ų4556.8 Ų56.820%0.19632%0.319CS..Hα-helixtrans-55.9-37178.5-62-147.4-165.21420113.6W165 T173 F174 M175 T193 C195W165-K171 HydrophobicContact CH2-CG 4.24Å; K171-T173 VanDerWaalsContact C-N 3.3Å; K171-T173 PolarHBondContact O-N 3.07Å; K171-F174 PolarHBondContact O-N 3.31Å; K171-M175 HydrophobicContact CB-CE 4.44Å; K171-M175 WeakPolarHBondContact O-CB 3.35Å; K171-M175 WeakPolarHBondContact O-CG 3.43Å; K171-M175 PolarHBondContact O-N 3.07Å; K171-T193 PolarHBondContact NZ-O 2.8Å; K171-C195 WeakPolarHBondContact CE-O 3.29Å; K171-C195 VanDerWaalsContact NZ-N 3.16Å; K171-C195 PolarHBondContact NZ-O 3.3Å
172T74.9Confident73.5Confident75 Ų7557.8 Ų57.846%0.4633%0.33SS..Hα-helixtrans-59.7-45179.251.30000110.3C170 F174 M175 E176C170-T172 PolarHBondContact O-N 2.9Å; C170-T172 PolarHBondContact SG-OG1 2.94Å; T172-F174 PolarHBondContact O-N 3.17Å; T172-M175 PolarHBondContact O-N 3.19Å; T172-E176 WeakPolarHBondContact O-CB 3.23Å; T172-E176 VanDerWaalsContact O-CG 3.24Å; T172-E176 WeakPolarHBondContact O-CG 3.25Å; T172-E176 PolarHBondContact O-N 2.93Å
173T75.6Confident73.7Confident53 Ų5357.2 Ų57.233%0.32533%0.327SS..Hα-helixtrans-64.8-38.8176.1-45.50000112M169 C170 K171 E176 R177M169-T173 HydrophobicContact CE-CG2 3.65Å; C170-T173 WeakPolarHBondContact O-CB 3.46Å; C170-T173 PolarHBondContact O-N 3.12Å; C170-T173 VanDerWaalsContact O-N 3.1Å; K171-T173 VanDerWaalsContact C-N 3.3Å; K171-T173 PolarHBondContact O-N 3.07Å; T173-E176 PolarHBondContact O-N 3.1Å; T173-R177 WeakPolarHBondContact O-CG 3.49Å; T173-R177 PolarHBondContact O-N 3.31Å
174F81.1Confident74.1Confident4 Ų457.7 Ų57.72%0.01833%0.329CS..Hα-helixtrans-64.7-45.4175.7-178.3-112000111.6L140 V163 W165 M169 C170 K171 T172 R177 L178 P199 F203L140-F174 HydrophobicContact CD1-CE2 4.23Å; L140-F174 HydrophobicContact CD1-CZ 4.21Å; V163-F174 HydrophobicContact CG1-CE2 3.79Å; V163-F174 HydrophobicContact CG1-CZ 4.5Å; W165-F174 HydrophobicContact CE3-CB 4.3Å; W165-F174 HydrophobicContact CE3-CD1 4.18Å; W165-F174 AromaticContact CE3-CD2 3.97Å; W165-F174 HydrophobicContact CE3-CD2 3.97Å; W165-F174 HydrophobicContact CE3-CE2 4.32Å; W165-F174 AromaticContact CE3-CG 3.89Å; W165-F174 HydrophobicContact CE3-CG 3.89Å; W165-F174 HydrophobicContact CZ3-CB 3.87Å; W165-F174 AromaticContact CZ3-CD1 3.92Å; W165-F174 HydrophobicContact CZ3-CD1 3.92Å; W165-F174 HydrophobicContact CZ3-CD2 4.33Å; W165-F174 AromaticContact CZ3-CG 3.79Å; W165-F174 HydrophobicContact CZ3-CG 3.79Å; M169-F174 HydrophobicContact CE-CB 4.23Å; M169-F174 HydrophobicContact SD-CB 4.17Å; M169-F174 HydrophobicContact SD-CD2 4.32Å; C170-F174 PolarHBondContact O-N 3.24Å; C170-F174 VanDerWaalsContact O-N 3.14Å; K171-F174 PolarHBondContact O-N 3.31Å; T172-F174 PolarHBondContact O-N 3.17Å; F174-R177 PolarHBondContact O-N 2.93Å; F174-L178 HydrophobicContact CD1-CD1 3.96Å; F174-L178 HydrophobicContact CE1-CD1 3.49Å; F174-L178 VanDerWaalsContact CE1-CD1 3.49Å; F174-L178 HydrophobicContact CE1-CG 4.37Å; F174-L178 HydrophobicContact CE2-CD1 4.48Å; F174-L178 HydrophobicContact CZ-CD1 3.78Å; F174-L178 HydrophobicContact CZ-CG 4.32Å; F174-L178 WeakPolarHBondContact O-CG 3.45Å; F174-L178 PolarHBondContact O-N 2.98Å; F174-P199 HydrophobicContact CE1-CG 4.43Å; F174-P199 HydrophobicContact CZ-CG 4.14Å; F174-F203 HydrophobicContact CE1-CE2 4.2Å
175M77.4Confident74.7Confident39 Ų3955.5 Ų55.519%0.19232%0.32CS..Hα-helixtrans-64.9-39.2176-72.5-171.5-6800112.5K171 T172 L178 T179 V191 F192K171-M175 HydrophobicContact CB-CE 4.44Å; K171-M175 WeakPolarHBondContact O-CB 3.35Å; K171-M175 WeakPolarHBondContact O-CG 3.43Å; K171-M175 PolarHBondContact O-N 3.07Å; T172-M175 PolarHBondContact O-N 3.19Å; M175-L178 PolarHBondContact O-N 3.3Å; M175-T179 VanDerWaalsContact O-CB 3.24Å; M175-T179 WeakPolarHBondContact O-CB 3.12Å; M175-T179 PolarHBondContact O-N 3.03Å; M175-T179 PolarHBondContact O-OG1 3.45Å; M175-V191 HydrophobicContact CG-CG1 3.99Å; M175-V191 HydrophobicContact SD-CG1 4.29Å; M175-F192 HydrophobicContact SD-CD1 3.65Å; M175-F192 HydrophobicContact SD-CE1 3.84Å
176E76.7Confident75.5Confident126 Ų12653 Ų5359%0.58931%0.311SS*.Hα-helixtrans-60.1-44.9173.9-77.8168.8-177.900111T172 T173 L178 T179 A180T172-E176 WeakPolarHBondContact O-CB 3.23Å; T172-E176 VanDerWaalsContact O-CG 3.24Å; T172-E176 WeakPolarHBondContact O-CG 3.25Å; T172-E176 PolarHBondContact O-N 2.93Å; T173-E176 PolarHBondContact O-N 3.1Å; E176-L178 PolarHBondContact O-N 2.83Å; E176-T179 PolarHBondContact O-N 3.15Å; E176-A180 WeakPolarHBondContact O-CB 3.36Å; E176-A180 PolarHBondContact O-N 3.1Å
177R76.4Confident76.2Confident104 Ų10450 Ų5039%0.39230%0.296SS..Hα-helixtrans-60.7-43.9175.8-72.9-172-170.8168.90.7111.8E166 M169 T173 F174 R181E166-R177 IonicContact OE2-CZ 2.78Å; E166-R177 IonicContact OE2-NH1 3.71Å; E166-R177 PolarHBondContact OE2-NH1 2.91Å; E166-R177 IonicContact OE2-NH2 2.92Å; E166-R177 PolarHBondContact OE2-NH2 3.2Å; M169-R177 HydrophobicContact CE-CG 4.45Å; M169-R177 VanDerWaalsContact CE-NH1 3.34Å; T173-R177 WeakPolarHBondContact O-CG 3.49Å; T173-R177 PolarHBondContact O-N 3.31Å; F174-R177 PolarHBondContact O-N 2.93Å; R177-R181 WeakPolarHBondContact O-CG 3.45Å; R177-R181 PolarHBondContact O-N 3.35Å
178L77.3Confident77.4Confident0 Ų042 Ų420%025%0.254CS..Hα-helixtrans-67.5-43.2178.2-71.1178.4000112.6L140 V163 F174 M175 E176 R181 G182 N183 I187 F203L140-L178 WeakPolarHBondContact O-CD2 3.36Å; V163-L178 HydrophobicContact CG1-CD2 3.96Å; F174-L178 HydrophobicContact CD1-CD1 3.96Å; F174-L178 HydrophobicContact CE1-CD1 3.49Å; F174-L178 VanDerWaalsContact CE1-CD1 3.49Å; F174-L178 HydrophobicContact CE1-CG 4.37Å; F174-L178 HydrophobicContact CE2-CD1 4.48Å; F174-L178 HydrophobicContact CZ-CD1 3.78Å; F174-L178 HydrophobicContact CZ-CG 4.32Å; F174-L178 WeakPolarHBondContact O-CG 3.45Å; F174-L178 PolarHBondContact O-N 2.98Å; M175-L178 PolarHBondContact O-N 3.3Å; E176-L178 PolarHBondContact O-N 2.83Å; L178-R181 CarbonylContact O-C 3.53Å; L178-R181 PolarHBondContact O-N 3.23Å; L178-G182 PolarHBondContact O-N 3.04Å; L178-N183 HydrophobicContact CB-CB 4.3Å; L178-N183 HydrophobicContact CD2-CB 4.41Å; L178-N183 WeakPolarHBondContact O-CB 3.26Å; L178-N183 PolarHBondContact O-N 2.66Å; L178-I187 HydrophobicContact CB-CD1 3.88Å; L178-I187 HydrophobicContact CD1-CD1 4.14Å; L178-I187 HydrophobicContact CD1-CG1 4.26Å; L178-F203 HydrophobicContact CD1-CE2 4.3Å; L178-F203 HydrophobicContact CD1-CZ 3.89Å
179T75.9Confident78.6Confident51 Ų5138.4 Ų38.431%0.31321%0.214SC..Hα-helixtrans-66.9-41.9-179.9-56.40000110.7M175 E176 R181 G182 I184M175-T179 VanDerWaalsContact O-CB 3.24Å; M175-T179 WeakPolarHBondContact O-CB 3.12Å; M175-T179 PolarHBondContact O-N 3.03Å; M175-T179 PolarHBondContact O-OG1 3.45Å; E176-T179 PolarHBondContact O-N 3.15Å; T179-R181 PolarHBondContact O-N 3.46Å; T179-G182 PolarHBondContact O-N 3.23Å; T179-I184 HydrophobicContact CG2-CD1 4.28Å
180A71.9Confident79.1Confident45 Ų4539.4 Ų39.437%0.37222%0.219SC..Hα-helixtrans-57.8-36.2174.400000111.6F31 E176 G182F31-A180 WeakPolarHBondContact CE2-O 3.49Å; F31-A180 HydrophobicContact CZ-CB 4Å; F31-A180 VanDerWaalsContact CZ-O 3.22Å; F31-A180 WeakPolarHBondContact CZ-O 3.26Å; E176-A180 WeakPolarHBondContact O-CB 3.36Å; E176-A180 PolarHBondContact O-N 3.1Å; A180-G182 VanDerWaalsContact C-N 3.26Å; A180-G182 PolarHBondContact O-N 2.8Å
181R72.3Confident79.6Confident49 Ų4936.9 Ų36.919%0.18520%0.201CC..THydrogen-bonded Turntrans-81.86.7176.1-68.3-173.9-179.8-147.14.2114.6F31 F60 K143 R177 L178 T179 N183F31-R181 HydrophobicContact CE2-CG 4.03Å; F31-R181 HydrophobicContact CZ-CG 4.14Å; F60-R181 VanDerWaalsContact CZ-NH2 3.33Å; K143-R181 PolarHBondContact NZ-O 2.8Å; R177-R181 WeakPolarHBondContact O-CG 3.45Å; R177-R181 PolarHBondContact O-N 3.35Å; L178-R181 CarbonylContact O-C 3.53Å; L178-R181 PolarHBondContact O-N 3.23Å; T179-R181 PolarHBondContact O-N 3.46Å; R181-N183 VanDerWaalsContact C-N 3.31Å; R181-N183 PolarHBondContact O-N 3.39Å
182G73.1Confident79.8Confident46 Ų4637.2 Ų37.247%0.47420%0.203SC..THydrogen-bonded Turntrans71.124.5177.400000113.7L178 T179 A180 I184L178-G182 PolarHBondContact O-N 3.04Å; T179-G182 PolarHBondContact O-N 3.23Å; A180-G182 VanDerWaalsContact C-N 3.26Å; A180-G182 PolarHBondContact O-N 2.8Å; G182-I184 VanDerWaalsContact C-N 3.28Å; G182-I184 PolarHBondContact O-N 3.35Å
183N78.3Confident79.5Confident0 Ų037.2 Ų37.20%020%0.203CC..  trans-86.15.9-175.1-152.332.1000113.9L140 L178 R181 N185 Y186 I187L140-N183 PolarHBondContact O-ND2 3.1Å; L178-N183 HydrophobicContact CB-CB 4.3Å; L178-N183 HydrophobicContact CD2-CB 4.41Å; L178-N183 WeakPolarHBondContact O-CB 3.26Å; L178-N183 PolarHBondContact O-N 2.66Å; R181-N183 VanDerWaalsContact C-N 3.31Å; R181-N183 PolarHBondContact O-N 3.39Å; N183-N185 PolarHBondContact O-N 3.46Å; N183-Y186 PolarHBondContact O-N 3.39Å; N183-Y186 WeakPolarHBondContact OD1-CB 3.49Å; N183-Y186 VanDerWaalsContact OD1-CD2 3.3Å; N183-Y186 WeakPolarHBondContact OD1-CD2 3.31Å; N183-I187 WeakPolarHBondContact O-CG1 3.39Å; N183-I187 PolarHBondContact O-N 3.25Å
184I80.9Confident78.6Confident18 Ų1844.3 Ų44.39%0.09223%0.232CC..G310 helixtrans-55.7-32.1-165.3-151.3171.3000114.4T179 G182 Y186 V227 V230 L231T179-I184 HydrophobicContact CG2-CD1 4.28Å; G182-I184 VanDerWaalsContact C-N 3.28Å; G182-I184 PolarHBondContact O-N 3.35Å; I184-Y186 VanDerWaalsContact C-N 3.31Å; I184-Y186 PolarHBondContact O-N 3.31Å; I184-V227 HydrophobicContact CD1-CG1 3.37Å; I184-V230 HydrophobicContact CG2-CG1 4.25Å; I184-L231 HydrophobicContact CD1-CB 4.12Å; I184-L231 HydrophobicContact CD1-CD1 3.73Å; I184-L231 HydrophobicContact CG1-CD1 4.07Å
185N85.9Confident77.3Confident31 Ų3147.5 Ų47.517%0.16625%0.254CS..G310 helixtrans-74.8-20.2-179.8-65.2-12.2000113.5N183 P221 V230N183-N185 PolarHBondContact O-N 3.46Å; N185-P221 HydrophobicContact CB-CB 4.11Å; N185-P221 HydrophobicContact CB-CG 4.27Å; N185-V230 WeakPolarHBondContact OD1-CG1 3.38Å
186Y89.9Confident76.2Confident12 Ų1250.5 Ų50.55%0.04728%0.279CS..G310 helixtrans-107.51.3-172.2-50.9-94.3000112.1K143 T144 N183 I184 Y206 S207 I210 V211 E214K143-Y186 HydrophobicContact CB-CD1 4.12Å; K143-Y186 HydrophobicContact CB-CD2 3.82Å; K143-Y186 HydrophobicContact CB-CE1 3.84Å; K143-Y186 HydrophobicContact CB-CE2 3.5Å; K143-Y186 HydrophobicContact CB-CG 4.13Å; T144-Y186 PolarHBondContact OG1-OH 3.48Å; N183-Y186 PolarHBondContact O-N 3.39Å; N183-Y186 WeakPolarHBondContact OD1-CB 3.49Å; N183-Y186 VanDerWaalsContact OD1-CD2 3.3Å; N183-Y186 WeakPolarHBondContact OD1-CD2 3.31Å; I184-Y186 VanDerWaalsContact C-N 3.31Å; I184-Y186 PolarHBondContact O-N 3.31Å; Y186-Y206 WeakPolarHBondContact O-CD1 3.38Å; Y186-S207 PolarHBondContact O-OG 3.26Å; Y186-I210 HydrophobicContact CD1-CB 3.76Å; Y186-I210 HydrophobicContact CD1-CG2 3.55Å; Y186-I210 HydrophobicContact CE1-CB 4.16Å; Y186-I210 HydrophobicContact CE1-CG2 3.57Å; Y186-I210 HydrophobicContact CG-CG2 4.33Å; Y186-V211 HydrophobicContact CD1-CG2 4.22Å; Y186-V211 HydrophobicContact CE1-CG2 3.92Å; Y186-E214 WeakPolarHBondContact CE1-OE2 2.8Å; Y186-E214 PolarHBondContact OH-OE1 3.35Å; Y186-E214 PolarHBondContact OH-OE2 3.11Å
187I88.2Confident75.8Confident0 Ų049.9 Ų49.90%028%0.28CS..SBendtrans-79.6125-179.9-55.7-179.3000108.9L178 N183 V191 F192 Y206 V234L178-I187 HydrophobicContact CB-CD1 3.88Å; L178-I187 HydrophobicContact CD1-CD1 4.14Å; L178-I187 HydrophobicContact CD1-CG1 4.26Å; N183-I187 WeakPolarHBondContact O-CG1 3.39Å; N183-I187 PolarHBondContact O-N 3.25Å; I187-V191 HydrophobicContact CG2-CB 3.82Å; I187-V191 HydrophobicContact CG2-CG1 4Å; I187-V191 HydrophobicContact CG2-CG2 4.04Å; I187-F192 HydrophobicContact CB-CE2 3.98Å; I187-F192 HydrophobicContact CB-CZ 3.96Å; I187-F192 HydrophobicContact CD1-CZ 4.25Å; I187-F192 HydrophobicContact CG2-CD2 4.48Å; I187-F192 HydrophobicContact CG2-CE2 3.58Å; I187-F192 HydrophobicContact CG2-CZ 3.66Å; I187-Y206 WeakPolarHBondContact O-CE1 3.44Å; I187-V234 WeakPolarHBondContact O-CG1 3.38Å
188P88.8Confident75.8Confident0 Ų048.6 Ų48.60%029%0.287CS..  trans-60.5143.2175-16.525.7000112.6E190 V191 F203 Y206P188-E190 VanDerWaalsContact C-N 3.25Å; P188-E190 HydrophobicContact CB-CG 4.23Å; P188-E190 WeakPolarHBondContact CB-OE1 3.34Å; P188-E190 VanDerWaalsContact CB-OE2 3.22Å; P188-E190 WeakPolarHBondContact CB-OE2 3.38Å; P188-E190 PolarHBondContact O-N 3.39Å; P188-V191 HydrophobicContact CB-CG2 4.14Å; P188-V191 HydrophobicContact CG-CG2 4.17Å; P188-V191 WeakPolarHBondContact O-CB 3.35Å; P188-V191 WeakPolarHBondContact O-CG2 3.43Å; P188-V191 PolarHBondContact O-N 3.12Å; P188-F203 HydrophobicContact CG-CB 4.29Å; P188-F203 HydrophobicContact CG-CD1 4.47Å; P188-F203 HydrophobicContact CG-CD2 3.57Å; P188-F203 HydrophobicContact CG-CE2 3.94Å; P188-F203 HydrophobicContact CG-CG 3.86Å; P188-F203 HydrophobicContact CG-CZ 4.5Å; P188-Y206 HydrophobicContact CB-CD1 3.96Å; P188-Y206 HydrophobicContact CB-CD2 4.28Å; P188-Y206 HydrophobicContact CB-CE1 4.48Å; P188-Y206 HydrophobicContact CB-CG 3.87Å; P188-Y206 HydrophobicContact CG-CD1 3.81Å; P188-Y206 HydrophobicContact CG-CG 3.9Å
189P86.8Confident76.1Confident11 Ų1149.7 Ų49.77%0.07129%0.294CS..G310 helixtrans-59.3-34.1-17824.3-35.2000113.5V191 F192 V234P189-V191 PolarHBondContact O-N 3.36Å; P189-F192 WeakPolarHBondContact O-CB 3.4Å; P189-F192 PolarHBondContact O-N 3.01Å; P189-V234 WeakPolarHBondContact CB-O 3.49Å
190E84.8Confident76.7Confident45 Ų4549.1 Ų49.121%0.2130%0.299CS..G310 helixtrans-63.1-24.5-178.362.9-87.3-159.500113P188 F192 T193 P268 R271P188-E190 VanDerWaalsContact C-N 3.25Å; P188-E190 HydrophobicContact CB-CG 4.23Å; P188-E190 WeakPolarHBondContact CB-OE1 3.34Å; P188-E190 VanDerWaalsContact CB-OE2 3.22Å; P188-E190 WeakPolarHBondContact CB-OE2 3.38Å; P188-E190 PolarHBondContact O-N 3.39Å; E190-F192 PolarHBondContact O-N 3.28Å; E190-T193 PolarHBondContact O-N 3.37Å; E190-T193 PolarHBondContact O-OG1 3.02Å; E190-P268 HydrophobicContact CB-CG 4.43Å; E190-P268 HydrophobicContact CG-CG 3.92Å; E190-P268 WeakPolarHBondContact OE1-CG 3.37Å; E190-R271 VanDerWaalsContact CD-NH2 3.26Å; E190-R271 IonicContact OE1-CZ 2.89Å; E190-R271 IonicContact OE1-NH1 3.97Å; E190-R271 PolarHBondContact OE1-NH1 3.09Å; E190-R271 IonicContact OE1-NH2 2.86Å; E190-R271 PolarHBondContact OE1-NH2 3.03Å; E190-R271 IonicContact OE2-CZ 2.68Å; E190-R271 IonicContact OE2-NH1 3.89Å; E190-R271 IonicContact OE2-NH2 3.42Å; E190-R271 PolarHBondContact OE2-NH2 2.95Å
191V81.7Confident77.6Confident21 Ų2149.2 Ų49.213%0.12729%0.294CS..G310 helixtrans-63-27.2176.1-177.80000111.4M175 I187 P188 P189 F203M175-V191 HydrophobicContact CG-CG1 3.99Å; M175-V191 HydrophobicContact SD-CG1 4.29Å; I187-V191 HydrophobicContact CG2-CB 3.82Å; I187-V191 HydrophobicContact CG2-CG1 4Å; I187-V191 HydrophobicContact CG2-CG2 4.04Å; P188-V191 HydrophobicContact CB-CG2 4.14Å; P188-V191 HydrophobicContact CG-CG2 4.17Å; P188-V191 WeakPolarHBondContact O-CB 3.35Å; P188-V191 WeakPolarHBondContact O-CG2 3.43Å; P188-V191 PolarHBondContact O-N 3.12Å; P189-V191 PolarHBondContact O-N 3.36Å; V191-F203 HydrophobicContact CG2-CD2 3.98Å; V191-F203 HydrophobicContact CG2-CE2 3.82Å
192F78Confident78.5Confident51 Ų5148 Ų4822%0.22430%0.295CS..G310 helixtrans-86-5.8177.4-56.3-79000113.4M175 I187 P189 E190 L231 V234M175-F192 HydrophobicContact SD-CD1 3.65Å; M175-F192 HydrophobicContact SD-CE1 3.84Å; I187-F192 HydrophobicContact CB-CE2 3.98Å; I187-F192 HydrophobicContact CB-CZ 3.96Å; I187-F192 HydrophobicContact CD1-CZ 4.25Å; I187-F192 HydrophobicContact CG2-CD2 4.48Å; I187-F192 HydrophobicContact CG2-CE2 3.58Å; I187-F192 HydrophobicContact CG2-CZ 3.66Å; P189-F192 WeakPolarHBondContact O-CB 3.4Å; P189-F192 PolarHBondContact O-N 3.01Å; E190-F192 PolarHBondContact O-N 3.28Å; F192-L231 HydrophobicContact CE1-CD1 3.7Å; F192-L231 HydrophobicContact CE1-CG 4.21Å; F192-L231 HydrophobicContact CZ-CD1 4.21Å; F192-V234 HydrophobicContact CE2-CG1 3.84Å
193T69.1Low79.4Confident76 Ų7646 Ų4647%0.46627%0.273SS..SBendtrans-97.5158.7178.162.30000111.5K171 E190 C195K171-T193 PolarHBondContact NZ-O 2.8Å; E190-T193 PolarHBondContact O-N 3.37Å; E190-T193 PolarHBondContact O-OG1 3.02Å; T193-C195 PolarHBondContact O-N 3.15Å
194E55.3Low80.2Confident201 Ų20146 Ų4694%0.93927%0.273SS*.SBendtrans-65.914.4-170.2-67.6-175.4164.100116.4S196E194-S196 PolarHBondContact O-N 3.08Å
195C53.7Low80.9Confident71 Ų7145.3 Ų45.348%0.4827%0.27SS..  trans-83.6111.9-175.2-153.40000113.5K171 T193 D197K171-C195 WeakPolarHBondContact CE-O 3.29Å; K171-C195 VanDerWaalsContact NZ-N 3.16Å; K171-C195 PolarHBondContact NZ-O 3.3Å; T193-C195 PolarHBondContact O-N 3.15Å; C195-D197 PolarHBondContact O-N 3.37Å; C195-D197 PolarHBondContact SG-OD2 3.31Å
196S55.8Low81.3Confident102 Ų10243.9 Ų43.971%0.71326%0.262SS*.  trans-67.29.7-169.9480000117.6E194E194-S196 PolarHBondContact O-N 3.08Å
197D68.3Low81.5Confident113 Ų11343.3 Ų43.360%0.60426%0.26SS*.PPolyproline II helixtrans-80.1146.4-169.7-55.5-40000113.3C195C195-D197 PolarHBondContact O-N 3.37Å; C195-D197 PolarHBondContact SG-OD2 3.31Å
198S76.3Confident81.9Confident78 Ų7843.3 Ų43.355%0.54526%0.26SS..PPolyproline II helixtrans-62.2143.4170.957.90000110.7G200S198-G200 PolarHBondContact O-N 3.37Å
199P84Confident82.3Confident22 Ų2243.3 Ų43.314%0.14326%0.26CS..PPolyproline II helixtrans-61.4131.3177.725.8-33000110.6L138 L140 W165 F174 F203L138-P199 WeakPolarHBondContact CD1-O 3.34Å; L140-P199 HydrophobicContact CD1-CG 4.22Å; L140-P199 HydrophobicContact CD2-CB 3.86Å; L140-P199 HydrophobicContact CD2-CG 3.98Å; W165-P199 HydrophobicContact CB-CG 4.17Å; W165-P199 VanDerWaalsContact CD2-CD 3.49Å; W165-P199 HydrophobicContact CD2-CG 4.33Å; W165-P199 VanDerWaalsContact CE3-CD 3.43Å; W165-P199 HydrophobicContact CE3-CG 4.03Å; W165-P199 HydrophobicContact CG-CG 4.42Å; F174-P199 HydrophobicContact CE1-CG 4.43Å; F174-P199 HydrophobicContact CZ-CG 4.14Å; P199-F203 HydrophobicContact CB-CB 4.31Å; P199-F203 HydrophobicContact CB-CD2 4.06Å; P199-F203 HydrophobicContact CB-CG 4.39Å
200G87.6Confident82.6Confident40 Ų4042.8 Ų42.841%0.41226%0.256SS..  trans-102.2-172.9175.200000113S198 A202 F203S198-G200 PolarHBondContact O-N 3.37Å; G200-A202 PolarHBondContact O-N 3.36Å; G200-A202 VanDerWaalsContact O-N 3.16Å; G200-F203 VanDerWaalsContact O-CB 3.25Å; G200-F203 WeakPolarHBondContact O-CB 3.49Å; G200-F203 PolarHBondContact O-N 3.01Å
201T90.4Very high83.2Confident46 Ų4640.6 Ų40.628%0.28225%0.246SC..Hα-helixtrans-56.2-31.9177.551.90000113.1H131 P136 L138 F203 D204 V205H131-T201 HydrophobicContact CB-CG2 4.46Å; H131-T201 VanDerWaalsContact CE1-CB 3.5Å; H131-T201 WeakPolarHBondContact CE1-CB 3.36Å; H131-T201 PolarHBondContact CE1-O 2.99Å; H131-T201 WeakPolarHBondContact ND1-CB 3.42Å; H131-T201 WeakPolarHBondContact ND1-CG2 3.47Å; P136-T201 HydrophobicContact CB-CG2 4.11Å; L138-T201 HydrophobicContact CD2-CG2 3.81Å; T201-F203 PolarHBondContact O-N 2.99Å; T201-F203 VanDerWaalsContact O-N 3.12Å; T201-D204 PolarHBondContact O-N 3.41Å; T201-D204 VanDerWaalsContact O-N 3.08Å; T201-V205 WeakPolarHBondContact O-CG2 3.29Å; T201-V205 PolarHBondContact O-N 3.22Å
202A91.5Very high83.8Confident23 Ų2339.6 Ų39.619%0.1924%0.24CC..Hα-helixtrans-58.9-2217600000113.8G200 Y206 P268 R271G200-A202 PolarHBondContact O-N 3.36Å; G200-A202 VanDerWaalsContact O-N 3.16Å; A202-Y206 PolarHBondContact O-N 2.89Å; A202-P268 HydrophobicContact CB-CB 4.02Å; A202-R271 PolarHBondContact O-NH1 3.11Å
203F92.6Very high84.6Confident6 Ų637.3 Ų37.33%0.02623%0.23CC..Hα-helixtrans-64.6-52.2172.7-175.4-72.9000110.6L140 F174 L178 P188 V191 P199 G200 T201 V205 Y206 S207L140-F203 HydrophobicContact CB-CE1 4.48Å; L140-F203 HydrophobicContact CD2-CB 4.35Å; L140-F203 HydrophobicContact CD2-CD1 3.89Å; L140-F203 HydrophobicContact CD2-CE1 4.38Å; L140-F203 HydrophobicContact CD2-CG 4.03Å; L140-F203 WeakPolarHBondContact O-CE1 3.26Å; F174-F203 HydrophobicContact CE1-CE2 4.2Å; L178-F203 HydrophobicContact CD1-CE2 4.3Å; L178-F203 HydrophobicContact CD1-CZ 3.89Å; P188-F203 HydrophobicContact CG-CB 4.29Å; P188-F203 HydrophobicContact CG-CD1 4.47Å; P188-F203 HydrophobicContact CG-CD2 3.57Å; P188-F203 HydrophobicContact CG-CE2 3.94Å; P188-F203 HydrophobicContact CG-CG 3.86Å; P188-F203 HydrophobicContact CG-CZ 4.5Å; V191-F203 HydrophobicContact CG2-CD2 3.98Å; V191-F203 HydrophobicContact CG2-CE2 3.82Å; P199-F203 HydrophobicContact CB-CB 4.31Å; P199-F203 HydrophobicContact CB-CD2 4.06Å; P199-F203 HydrophobicContact CB-CG 4.39Å; G200-F203 VanDerWaalsContact O-CB 3.25Å; G200-F203 WeakPolarHBondContact O-CB 3.49Å; G200-F203 PolarHBondContact O-N 3.01Å; T201-F203 PolarHBondContact O-N 2.99Å; T201-F203 VanDerWaalsContact O-N 3.12Å; F203-V205 VanDerWaalsContact C-N 3.3Å; F203-V205 PolarHBondContact O-N 3.06Å; F203-Y206 WeakPolarHBondContact O-CB 3.46Å; F203-Y206 PolarHBondContact O-N 2.93Å; F203-S207 PolarHBondContact O-N 3.32Å; F203-S207 VanDerWaalsContact O-N 3.13Å; F203-S207 PolarHBondContact O-OG 3.37Å
204D94.8Very high85.7Confident0 Ų034 Ų340%021%0.209CC..Hα-helixtrans-66.2-35.1-178.2-70.6-24.7000111.7M127 H131 L138 H139 L140 T201 Y206 S207 F208 F274M127-D204 HydrophobicContact CE-CB 3.67Å; H131-D204 IonicContact CD2-OD2 3.95Å; H131-D204 IonicContact CE1-OD2 3.19Å; H131-D204 IonicContact NE2-OD2 3.85Å; H131-D204 PolarHBondContact NE2-OD2 3.07Å; L138-D204 WeakPolarHBondContact CA-OD2 3.27Å; H139-D204 PolarHBondContact N-OD1 3.48Å; H139-D204 PolarHBondContact N-OD2 3.45Å; L140-D204 PolarHBondContact N-OD1 2.93Å; T201-D204 PolarHBondContact O-N 3.41Å; T201-D204 VanDerWaalsContact O-N 3.08Å; D204-Y206 VanDerWaalsContact C-N 3.31Å; D204-Y206 PolarHBondContact O-N 2.94Å; D204-S207 PolarHBondContact O-N 3.09Å; D204-F208 WeakPolarHBondContact O-CB 3.33Å; D204-F208 PolarHBondContact O-N 3.35Å; D204-F274 HydrophobicContact CB-CE2 4.15Å
205V95.4Very high87.5Confident3 Ų324.4 Ų24.42%0.01816%0.164CC..Hα-helixtrans-61.7-40.9175.5178.70000110.9T201 F203 F208 G209 C263 R271 P272 F274T201-V205 WeakPolarHBondContact O-CG2 3.29Å; T201-V205 PolarHBondContact O-N 3.22Å; F203-V205 VanDerWaalsContact C-N 3.3Å; F203-V205 PolarHBondContact O-N 3.06Å; V205-F208 WeakPolarHBondContact O-CB 3.34Å; V205-F208 PolarHBondContact O-N 3.09Å; V205-G209 PolarHBondContact O-N 3.31Å; V205-C263 HydrophobicContact CG1-CB 3.98Å; V205-C263 WeakPolarHBondContact O-CB 3.32Å; V205-R271 HydrophobicContact CB-CB 4.43Å; V205-R271 HydrophobicContact CG1-CB 3.89Å; V205-P272 HydrophobicContact CG1-CG 4.36Å; V205-P272 WeakPolarHBondContact CG2-O 3.36Å; V205-F274 HydrophobicContact CB-CE2 4.38Å; V205-F274 HydrophobicContact CG2-CD2 3.82Å; V205-F274 HydrophobicContact CG2-CE2 3.55Å; V205-F274 HydrophobicContact CG2-CZ 4.24Å
206Y94.4Very high89.2Confident0 Ų021 Ų210%014%0.141CC..Hα-helixtrans-63.1-49174.8179-86.6000112.1Y186 I187 P188 A202 F203 D204 F208 G209 I210 R239 C263 W264Y186-Y206 WeakPolarHBondContact O-CD1 3.38Å; I187-Y206 WeakPolarHBondContact O-CE1 3.44Å; P188-Y206 HydrophobicContact CB-CD1 3.96Å; P188-Y206 HydrophobicContact CB-CD2 4.28Å; P188-Y206 HydrophobicContact CB-CE1 4.48Å; P188-Y206 HydrophobicContact CB-CG 3.87Å; P188-Y206 HydrophobicContact CG-CD1 3.81Å; P188-Y206 HydrophobicContact CG-CG 3.9Å; A202-Y206 PolarHBondContact O-N 2.89Å; F203-Y206 WeakPolarHBondContact O-CB 3.46Å; F203-Y206 PolarHBondContact O-N 2.93Å; D204-Y206 VanDerWaalsContact C-N 3.31Å; D204-Y206 PolarHBondContact O-N 2.94Å; Y206-F208 PolarHBondContact O-N 2.94Å; Y206-G209 PolarHBondContact O-N 2.92Å; Y206-I210 HydrophobicContact CE1-CD1 4.48Å; Y206-I210 HydrophobicContact CE1-CG1 4.05Å; Y206-I210 PolarHBondContact O-N 3.02Å; Y206-R239 PolarHBondContact OH-NH1 3.2Å; Y206-C263 WeakPolarHBondContact CA-O 3.44Å; Y206-W264 HydrophobicContact CD2-CB 3.87Å; Y206-W264 HydrophobicContact CE2-CB 3.8Å
207S94.7Very high90.7Very high0 Ų016.6 Ų16.60%011%0.11CC..Hα-helixtrans-58.7-37.7177.5-56.70000111.2Y186 F203 D204 I210 V211Y186-S207 PolarHBondContact O-OG 3.26Å; F203-S207 PolarHBondContact O-N 3.32Å; F203-S207 VanDerWaalsContact O-N 3.13Å; F203-S207 PolarHBondContact O-OG 3.37Å; D204-S207 PolarHBondContact O-N 3.09Å; S207-I210 PolarHBondContact O-N 3.46Å; S207-V211 WeakPolarHBondContact O-CG2 3.46Å; S207-V211 PolarHBondContact O-N 3.02Å
208F96.9Very high91.6Very high0 Ų013 Ų130%09%0.09CC..Hα-helixtrans-63.5-38.6174.6-178.9-116.4000113I120 I123 L142 D204 V205 Y206 I210 V211 I212 F274 T277I120-F208 HydrophobicContact CG2-CZ 3.84Å; I123-F208 HydrophobicContact CB-CD2 4.47Å; I123-F208 HydrophobicContact CB-CE2 3.79Å; I123-F208 HydrophobicContact CG2-CD2 3.62Å; I123-F208 HydrophobicContact CG2-CE2 3.43Å; I123-F208 VanDerWaalsContact CG2-CE2 3.43Å; L142-F208 HydrophobicContact CD2-CB 3.82Å; L142-F208 HydrophobicContact CD2-CD2 4.28Å; D204-F208 WeakPolarHBondContact O-CB 3.33Å; D204-F208 PolarHBondContact O-N 3.35Å; V205-F208 WeakPolarHBondContact O-CB 3.34Å; V205-F208 PolarHBondContact O-N 3.09Å; Y206-F208 PolarHBondContact O-N 2.94Å; F208-I210 VanDerWaalsContact C-N 3.29Å; F208-I210 PolarHBondContact O-N 3.07Å; F208-V211 WeakPolarHBondContact O-CB 3.49Å; F208-V211 PolarHBondContact O-N 3.38Å; F208-V211 VanDerWaalsContact O-N 3.14Å; F208-I212 HydrophobicContact CD1-CD1 3.73Å; F208-I212 HydrophobicContact CD1-CG1 4.33Å; F208-I212 HydrophobicContact CE1-CD1 3.36Å; F208-I212 HydrophobicContact CE1-CG1 3.96Å; F208-I212 HydrophobicContact CE2-CD1 4.45Å; F208-I212 HydrophobicContact CE2-CG1 4.15Å; F208-I212 HydrophobicContact CG-CD1 4.43Å; F208-I212 HydrophobicContact CZ-CD1 3.8Å; F208-I212 HydrophobicContact CZ-CG1 3.88Å; F208-I212 WeakPolarHBondContact O-CG1 2.85Å; F208-I212 PolarHBondContact O-N 3.38Å; F208-F274 HydrophobicContact CB-CE1 4.02Å; F208-F274 HydrophobicContact CB-CZ 3.74Å; F208-F274 AromaticContact CD1-CE1 3.6Å; F208-F274 HydrophobicContact CD1-CE1 3.6Å; F208-F274 HydrophobicContact CD1-CZ 4.16Å; F208-F274 HydrophobicContact CD2-CE1 4.25Å; F208-F274 HydrophobicContact CE1-CE1 4.08Å; F208-F274 AromaticContact CG-CE1 3.68Å; F208-F274 HydrophobicContact CG-CE1 3.68Å; F208-F274 AromaticContact CG-CZ 3.95Å; F208-F274 HydrophobicContact CG-CZ 3.95Å; F208-T277 HydrophobicContact CD1-CG2 4.36Å; F208-T277 HydrophobicContact CE1-CG2 3.61Å; F208-T277 HydrophobicContact CZ-CG2 4.48Å
209G95.6Very high92Very high0 Ų012.7 Ų12.70%08%0.08CC..Hα-helixtrans-57.8-40.4172.900000113V205 Y206 I212 W213 M260V205-G209 PolarHBondContact O-N 3.31Å; Y206-G209 PolarHBondContact O-N 2.92Å; G209-I212 PolarHBondContact O-N 3.1Å; G209-W213 PolarHBondContact O-N 3.35Å; G209-W213 VanDerWaalsContact O-N 3.1Å; G209-M260 WeakPolarHBondContact O-CG 3.09Å
210I94.3Very high92.1Very high0 Ų017.4 Ų17.40%010%0.098CC..Hα-helixtrans-68.4-40.1175.4-57.5-71.8000111.1Y186 Y206 S207 F208 W213 E214 P221 P240 W264Y186-I210 HydrophobicContact CD1-CB 3.76Å; Y186-I210 HydrophobicContact CD1-CG2 3.55Å; Y186-I210 HydrophobicContact CE1-CB 4.16Å; Y186-I210 HydrophobicContact CE1-CG2 3.57Å; Y186-I210 HydrophobicContact CG-CG2 4.33Å; Y206-I210 HydrophobicContact CE1-CD1 4.48Å; Y206-I210 HydrophobicContact CE1-CG1 4.05Å; Y206-I210 PolarHBondContact O-N 3.02Å; S207-I210 PolarHBondContact O-N 3.46Å; F208-I210 VanDerWaalsContact C-N 3.29Å; F208-I210 PolarHBondContact O-N 3.07Å; I210-W213 WeakPolarHBondContact O-CB 3.32Å; I210-W213 PolarHBondContact O-N 3.31Å; I210-E214 PolarHBondContact O-N 3.41Å; I210-P221 HydrophobicContact CG2-CB 4.44Å; I210-P221 HydrophobicContact CG2-CG 3.75Å; I210-P240 HydrophobicContact CD1-CG 4.02Å; I210-W264 HydrophobicContact CD1-CE3 3.6Å; I210-W264 HydrophobicContact CD1-CZ3 3.97Å; I210-W264 HydrophobicContact CG1-CE3 4.45Å
211V96Very high91.9Very high0 Ų015.8 Ų15.80%08%0.08CC..Hα-helixtrans-61.6-42.6174.9169.60000111.5I123 L142 T144 I147 Y186 S207 F208 W213 E214 I215I123-V211 HydrophobicContact CD1-CG1 4.04Å; L142-V211 HydrophobicContact CG-CG2 4.41Å; T144-V211 HydrophobicContact CG2-CG1 4.31Å; T144-V211 HydrophobicContact CG2-CG2 4.48Å; I147-V211 HydrophobicContact CD1-CG1 3.65Å; I147-V211 HydrophobicContact CD1-CG2 4.25Å; Y186-V211 HydrophobicContact CD1-CG2 4.22Å; Y186-V211 HydrophobicContact CE1-CG2 3.92Å; S207-V211 WeakPolarHBondContact O-CG2 3.46Å; S207-V211 PolarHBondContact O-N 3.02Å; F208-V211 WeakPolarHBondContact O-CB 3.49Å; F208-V211 PolarHBondContact O-N 3.38Å; F208-V211 VanDerWaalsContact O-N 3.14Å; V211-W213 VanDerWaalsContact C-N 3.32Å; V211-W213 PolarHBondContact O-N 3.24Å; V211-E214 PolarHBondContact O-N 3.44Å; V211-I215 HydrophobicContact CG1-CD1 3.81Å; V211-I215 HydrophobicContact CG1-CG1 4.46Å; V211-I215 WeakPolarHBondContact O-CG1 3.04Å; V211-I215 PolarHBondContact O-N 3.14Å
212I94.9Very high91.6Very high0 Ų015.1 Ų15.10%07%0.073CC..Hα-helixtrans-57.7-48.8173.9-67.4164.1000109.6I120 F208 G209 E214 I215 L216 M260I120-I212 HydrophobicContact CD1-CG1 4.47Å; I120-I212 HydrophobicContact CD1-CG2 3.92Å; I120-I212 HydrophobicContact CG1-CG1 4.29Å; I120-I212 HydrophobicContact CG2-CD1 4.29Å; I120-I212 HydrophobicContact CG2-CG1 3.85Å; F208-I212 HydrophobicContact CD1-CD1 3.73Å; F208-I212 HydrophobicContact CD1-CG1 4.33Å; F208-I212 HydrophobicContact CE1-CD1 3.36Å; F208-I212 HydrophobicContact CE1-CG1 3.96Å; F208-I212 HydrophobicContact CE2-CD1 4.45Å; F208-I212 HydrophobicContact CE2-CG1 4.15Å; F208-I212 HydrophobicContact CG-CD1 4.43Å; F208-I212 HydrophobicContact CZ-CD1 3.8Å; F208-I212 HydrophobicContact CZ-CG1 3.88Å; F208-I212 WeakPolarHBondContact O-CG1 2.85Å; F208-I212 PolarHBondContact O-N 3.38Å; G209-I212 PolarHBondContact O-N 3.1Å; I212-E214 VanDerWaalsContact C-N 3.31Å; I212-E214 PolarHBondContact O-N 3.09Å; I212-I215 PolarHBondContact O-N 3.13Å; I212-I215 VanDerWaalsContact O-N 3.1Å; I212-L216 HydrophobicContact CG2-CD1 3.64Å; I212-L216 HydrophobicContact CG2-CG 3.98Å; I212-L216 VanDerWaalsContact O-CG 3.29Å; I212-L216 WeakPolarHBondContact O-CG 3.44Å; I212-L216 PolarHBondContact O-N 3.29Å; I212-M260 HydrophobicContact CB-CB 4.18Å; I212-M260 HydrophobicContact CB-CG 4Å; I212-M260 HydrophobicContact CD1-CB 4.34Å; I212-M260 HydrophobicContact CG2-CB 3.7Å; I212-M260 HydrophobicContact CG2-CG 3.85Å; I212-M260 HydrophobicContact CG2-SD 4.03Å
213W94.1Very high90.9Very high2 Ų218 Ų181%0.0089%0.089CC..Hα-helixtrans-55.7-46.1179.5-175.188.1000112G209 I210 V211 I215 L216 T217 Q219 P221 P240 C241 M244 M260 W264G209-W213 PolarHBondContact O-N 3.35Å; G209-W213 VanDerWaalsContact O-N 3.1Å; I210-W213 WeakPolarHBondContact O-CB 3.32Å; I210-W213 PolarHBondContact O-N 3.31Å; V211-W213 VanDerWaalsContact C-N 3.32Å; V211-W213 PolarHBondContact O-N 3.24Å; W213-I215 PolarHBondContact O-N 2.93Å; W213-L216 PolarHBondContact O-N 3.4Å; W213-T217 HydrophobicContact CD2-CG2 4.06Å; W213-T217 HydrophobicContact CG-CG2 4.45Å; W213-T217 HydrophobicContact CH2-CG2 4.41Å; W213-T217 HydrophobicContact CZ2-CG2 3.86Å; W213-T217 WeakPolarHBondContact O-CG2 3.34Å; W213-T217 PolarHBondContact O-N 3.1Å; W213-T217 PolarHBondContact O-OG1 3.02Å; W213-Q219 HydrophobicContact CH2-CB 4.19Å; W213-Q219 HydrophobicContact CZ3-CB 4.41Å; W213-Q219 WeakPolarHBondContact CZ3-O 3.15Å; W213-P221 HydrophobicContact CE3-CG 4.2Å; W213-P221 HydrophobicContact CZ3-CB 4.31Å; W213-P221 HydrophobicContact CZ3-CG 4.15Å; W213-P240 HydrophobicContact CD2-CB 3.57Å; W213-P240 HydrophobicContact CD2-CG 4.21Å; W213-P240 HydrophobicContact CE3-CB 4.01Å; W213-P240 HydrophobicContact CE3-CG 4.39Å; W213-P240 HydrophobicContact CG-CB 4.07Å; W213-P240 HydrophobicContact CH2-CB 4.08Å; W213-P240 HydrophobicContact CZ2-CB 3.62Å; W213-P240 HydrophobicContact CZ3-CB 4.25Å; W213-C241 PolarHBondContact NE1-O 2.89Å; W213-M244 HydrophobicContact CZ2-CB 4.43Å; W213-M244 HydrophobicContact CZ2-SD 4.29Å; W213-M260 WeakPolarHBondContact CA-SD 3.16Å; W213-M260 HydrophobicContact CB-SD 3.54Å; W213-M260 VanDerWaalsContact CB-SD 3.54Å; W213-M260 HydrophobicContact CG-SD 4.13Å; W213-W264 HydrophobicContact CB-CH2 4.3Å; W213-W264 HydrophobicContact CB-CZ3 3.9Å; W213-W264 AromaticContact CD1-CH2 3.63Å; W213-W264 HydrophobicContact CG-CH2 4.1Å; W213-W264 HydrophobicContact CG-CZ3 4.02Å
214E93.3Very high90.2Very high6 Ų622.1 Ų22.13%0.02813%0.132CC..Hα-helixtrans-64.3-36.8177.2-71.3-174.998.200113.3L106 T144 Y186 I210 V211 I212 Q218 P221L106-E214 HydrophobicContact CD1-CB 4.34Å; T144-E214 HydrophobicContact CG2-CB 4.01Å; T144-E214 VanDerWaalsContact CG2-OE2 3.26Å; T144-E214 WeakPolarHBondContact CG2-OE2 3.48Å; Y186-E214 WeakPolarHBondContact CE1-OE2 2.8Å; Y186-E214 PolarHBondContact OH-OE1 3.35Å; Y186-E214 PolarHBondContact OH-OE2 3.11Å; I210-E214 PolarHBondContact O-N 3.41Å; V211-E214 PolarHBondContact O-N 3.44Å; I212-E214 VanDerWaalsContact C-N 3.31Å; I212-E214 PolarHBondContact O-N 3.09Å; E214-Q218 WeakPolarHBondContact O-CA 3.45Å; E214-Q218 PolarHBondContact O-N 2.9Å; E214-P221 HydrophobicContact CG-CG 3.66Å; E214-P221 WeakPolarHBondContact OE1-CD 3.44Å
215I93Very high89.5Confident0 Ų024.8 Ų24.80%015%0.15CC..Hα-helixtrans-68-41.8176.9-68.2167.4000110.5L102 L106 K116 I120 I123 V211 I212 W213L102-I215 HydrophobicContact CD2-CD1 3.94Å; L102-I215 HydrophobicContact CD2-CG1 3.97Å; L106-I215 HydrophobicContact CD1-CG1 4.37Å; K116-I215 HydrophobicContact CB-CG2 3.79Å; K116-I215 WeakPolarHBondContact CD-O 3.03Å; K116-I215 VanDerWaalsContact CE-O 3.3Å; K116-I215 WeakPolarHBondContact CE-O 3.18Å; K116-I215 HydrophobicContact CG-CG2 3.97Å; I120-I215 HydrophobicContact CD1-CB 4.21Å; I120-I215 HydrophobicContact CD1-CG2 3.87Å; I120-I215 HydrophobicContact CG1-CB 4.25Å; I120-I215 HydrophobicContact CG1-CD1 3.73Å; I120-I215 HydrophobicContact CG1-CG2 4Å; I123-I215 HydrophobicContact CD1-CD1 3.65Å; V211-I215 HydrophobicContact CG1-CD1 3.81Å; V211-I215 HydrophobicContact CG1-CG1 4.46Å; V211-I215 WeakPolarHBondContact O-CG1 3.04Å; V211-I215 PolarHBondContact O-N 3.14Å; I212-I215 PolarHBondContact O-N 3.13Å; I212-I215 VanDerWaalsContact O-N 3.1Å; W213-I215 PolarHBondContact O-N 2.93Å
216L89.9Confident88.9Confident0 Ų027.7 Ų27.70%017%0.17CC..Hα-helixtrans-67.9-47-179.3-62.6178.2000111.6W113 K116 I120 I212 W213 L256 I257 M260W113-L216 HydrophobicContact CZ3-CD2 3.82Å; K116-L216 PolarHBondContact NZ-O 2.92Å; I120-L216 HydrophobicContact CD1-CD2 3.95Å; I120-L216 HydrophobicContact CD1-CG 4.37Å; I212-L216 HydrophobicContact CG2-CD1 3.64Å; I212-L216 HydrophobicContact CG2-CG 3.98Å; I212-L216 VanDerWaalsContact O-CG 3.29Å; I212-L216 WeakPolarHBondContact O-CG 3.44Å; I212-L216 PolarHBondContact O-N 3.29Å; W213-L216 PolarHBondContact O-N 3.4Å; L216-L256 HydrophobicContact CD2-CD2 3.66Å; L216-L256 HydrophobicContact CD2-CG 4.39Å; L216-I257 HydrophobicContact CD1-CG1 4.17Å; L216-M260 HydrophobicContact CD1-SD 4.13Å
217T87.1Confident88.1Confident10 Ų1032.1 Ų32.16%0.06120%0.197CC..Hα-helixtrans-85-24.4-177.164.10000113.6W213 Q219 M244 I245W213-T217 HydrophobicContact CD2-CG2 4.06Å; W213-T217 HydrophobicContact CG-CG2 4.45Å; W213-T217 HydrophobicContact CH2-CG2 4.41Å; W213-T217 HydrophobicContact CZ2-CG2 3.86Å; W213-T217 WeakPolarHBondContact O-CG2 3.34Å; W213-T217 PolarHBondContact O-N 3.1Å; W213-T217 PolarHBondContact O-OG1 3.02Å; T217-Q219 PolarHBondContact O-N 3.49Å; T217-Q219 PolarHBondContact OG1-N 3.44Å; T217-M244 HydrophobicContact CG2-CB 4.38Å; T217-I245 HydrophobicContact CG2-CG1 3.81Å
218Q87.3Confident87.4Confident37 Ų3736.7 Ų36.717%0.17323%0.226CC..  trans54.433-167.3-51.5-167.9-82.400113L106 H109 S110 E214L106-Q218 HydrophobicContact CD2-CB 4.49Å; L106-Q218 HydrophobicContact CD2-CG 4.02Å; H109-Q218 PolarHBondContact O-NE2 3.48Å; S110-Q218 PolarHBondContact OG-OE1 3.35Å; E214-Q218 WeakPolarHBondContact O-CA 3.45Å; E214-Q218 PolarHBondContact O-N 2.9Å
219Q85Confident86.8Confident71 Ų7139.3 Ų39.333%0.33224%0.242SC..SBendtrans-125.4158.7-179.8-66-179.814.800111.3W213 T217 M244W213-Q219 HydrophobicContact CH2-CB 4.19Å; W213-Q219 HydrophobicContact CZ3-CB 4.41Å; W213-Q219 WeakPolarHBondContact CZ3-O 3.15Å; T217-Q219 PolarHBondContact O-N 3.49Å; T217-Q219 PolarHBondContact OG1-N 3.44Å; Q219-M244 PolarHBondContact OE1-SD 3.08Å; Q219-M244 VanDerWaalsContact OE1-SD 3.38Å
220K84.3Confident86.2Confident122 Ų12239.6 Ų39.653%0.5324%0.243SC..  trans-78.2140175-73.5-170.7169.6179.30110.9Y222 T223K220-Y222 PolarHBondContact O-N 3.04Å; K220-T223 HydrophobicContact CB-CG2 3.99Å; K220-T223 VanDerWaalsContact O-CG2 3.3Å; K220-T223 WeakPolarHBondContact O-CG2 3.37Å
221P84.6Confident85.5Confident6 Ų642.5 Ų42.54%0.03926%0.258CS..THydrogen-bonded Turntrans-62.1135.7175.1-21.733.6000110.3N185 I210 W213 E214 T223 P240N185-P221 HydrophobicContact CB-CB 4.11Å; N185-P221 HydrophobicContact CB-CG 4.27Å; I210-P221 HydrophobicContact CG2-CB 4.44Å; I210-P221 HydrophobicContact CG2-CG 3.75Å; W213-P221 HydrophobicContact CE3-CG 4.2Å; W213-P221 HydrophobicContact CZ3-CB 4.31Å; W213-P221 HydrophobicContact CZ3-CG 4.15Å; E214-P221 HydrophobicContact CG-CG 3.66Å; E214-P221 WeakPolarHBondContact OE1-CD 3.44Å; P221-T223 PolarHBondContact O-N 3.39Å; P221-P240 HydrophobicContact CB-CG 4.08Å
222Y83.8Confident84.8Confident31 Ų3146.6 Ų46.612%0.12228%0.28CS..THydrogen-bonded Turntrans58.540.2175.8-45.3-80.7000114.6K220 G224 C225 V230 V234 K238 P240K220-Y222 PolarHBondContact O-N 3.04Å; Y222-G224 PolarHBondContact O-N 3.39Å; Y222-C225 WeakPolarHBondContact O-CB 3.38Å; Y222-C225 PolarHBondContact O-N 3.45Å; Y222-C225 VanDerWaalsContact O-N 3.12Å; Y222-V230 HydrophobicContact CD2-CG1 3.79Å; Y222-V230 HydrophobicContact CE2-CG1 4.25Å; Y222-V230 HydrophobicContact CG-CG1 4.19Å; Y222-V230 HydrophobicContact CG-CG2 4.22Å; Y222-V234 HydrophobicContact CE2-CG2 3.84Å; Y222-K238 PolarHBondContact OH-O 2.51Å; Y222-P240 HydrophobicContact CE2-CG 4.17Å; Y222-P240 WeakPolarHBondContact OH-CD 3.36Å
223T78.1Confident84.3Confident85 Ų8549.1 Ų49.152%0.52129%0.292SS..THydrogen-bonded Turntrans-48.1132.6174.1420000112.4K220 P221 C225K220-T223 HydrophobicContact CB-CG2 3.99Å; K220-T223 VanDerWaalsContact O-CG2 3.3Å; K220-T223 WeakPolarHBondContact O-CG2 3.37Å; P221-T223 PolarHBondContact O-N 3.39Å; T223-C225 VanDerWaalsContact C-N 3.32Å; T223-C225 PolarHBondContact O-N 2.92Å
224G76.3Confident83.8Confident91 Ų9149 Ų4994%0.93829%0.291SS*.THydrogen-bonded Turntrans82.8-3.3179.500000115.5Y222Y222-G224 PolarHBondContact O-N 3.39Å
225C81.4Confident83.2Confident57 Ų5750.8 Ų50.839%0.38531%0.305SS..  trans-89.9142.8175.6-63.80000112.2Y222 T223 T229 V230Y222-C225 WeakPolarHBondContact O-CB 3.38Å; Y222-C225 PolarHBondContact O-N 3.45Å; Y222-C225 VanDerWaalsContact O-N 3.12Å; T223-C225 VanDerWaalsContact C-N 3.32Å; T223-C225 PolarHBondContact O-N 2.92Å; C225-T229 HydrophobicContact CB-CG2 4.23Å; C225-V230 HydrophobicContact CB-CG2 3.54Å
226S82.4Confident82.7Confident63 Ų6357.7 Ų57.744%0.44134%0.335SS..  trans-68.8155.9168.681.40000111T228 T229 V230S226-T228 PolarHBondContact O-N 3.5Å; S226-T229 WeakPolarHBondContact O-CA 3.38Å; S226-T229 WeakPolarHBondContact O-CB 3.4Å; S226-T229 PolarHBondContact O-N 3.34Å; S226-T229 PolarHBondContact OG-N 2.59Å; S226-T229 VanDerWaalsContact OG-N 3.14Å; S226-T229 PolarHBondContact OG-OG1 3.04Å; S226-V230 WeakPolarHBondContact O-CG2 3.41Å; S226-V230 PolarHBondContact O-N 2.89Å
227V77.9Confident82.3Confident93 Ų9358.1 Ų58.156%0.56434%0.339SS*.Hα-helixtrans-52.6-43177.9179.70000111.6I184 V230 L231I184-V227 HydrophobicContact CD1-CG1 3.37Å; V227-V230 PolarHBondContact O-N 2.87Å; V227-L231 WeakPolarHBondContact O-CB 3.45Å; V227-L231 PolarHBondContact O-N 2.85Å
228T80.1Confident82.2Confident97 Ų9763 Ų6360%0.59536%0.359SS*.Hα-helixtrans-65.5-39.7177.2-45.90000112S226 L231 L232S226-T228 PolarHBondContact O-N 3.5Å; T228-L231 PolarHBondContact O-N 3.26Å; T228-L232 HydrophobicContact CG2-CD1 4.47Å; T228-L232 WeakPolarHBondContact O-CG 3.47Å; T228-L232 PolarHBondContact O-N 2.89Å
229T83.1Confident82.3Confident55 Ų5563.5 Ų63.534%0.33736%0.36SS..Hα-helixtrans-63.8-46.7175.5-51.80000110.6C225 S226 L231 L232 Q233C225-T229 HydrophobicContact CB-CG2 4.23Å; S226-T229 WeakPolarHBondContact O-CA 3.38Å; S226-T229 WeakPolarHBondContact O-CB 3.4Å; S226-T229 PolarHBondContact O-N 3.34Å; S226-T229 PolarHBondContact OG-N 2.59Å; S226-T229 VanDerWaalsContact OG-N 3.14Å; S226-T229 PolarHBondContact OG-OG1 3.04Å; T229-L231 PolarHBondContact O-N 3.44Å; T229-L232 PolarHBondContact O-N 3.23Å; T229-Q233 HydrophobicContact CG2-CG 4.4Å; T229-Q233 VanDerWaalsContact O-CG 3.31Å; T229-Q233 WeakPolarHBondContact O-CG 3.43Å; T229-Q233 PolarHBondContact O-N 2.83Å
230V82.4Confident82.3Confident6 Ų660.5 Ų60.54%0.03635%0.346CS..Hα-helixtrans-58.7-49177.1175.50000110.5I184 N185 Y222 C225 S226 V227 L232 Q233 V234I184-V230 HydrophobicContact CG2-CG1 4.25Å; N185-V230 WeakPolarHBondContact OD1-CG1 3.38Å; Y222-V230 HydrophobicContact CD2-CG1 3.79Å; Y222-V230 HydrophobicContact CE2-CG1 4.25Å; Y222-V230 HydrophobicContact CG-CG1 4.19Å; Y222-V230 HydrophobicContact CG-CG2 4.22Å; C225-V230 HydrophobicContact CB-CG2 3.54Å; S226-V230 WeakPolarHBondContact O-CG2 3.41Å; S226-V230 PolarHBondContact O-N 2.89Å; V227-V230 PolarHBondContact O-N 2.87Å; V230-L232 VanDerWaalsContact C-N 3.28Å; V230-L232 PolarHBondContact O-N 3.19Å; V230-Q233 PolarHBondContact O-N 3.27Å; V230-V234 HydrophobicContact CG1-CG2 3.93Å; V230-V234 WeakPolarHBondContact O-CB 2.9Å; V230-V234 VanDerWaalsContact O-CG2 3.3Å; V230-V234 WeakPolarHBondContact O-CG2 3.21Å; V230-V234 PolarHBondContact O-N 2.86Å
231L80.3Confident82Confident60 Ų6057.5 Ų57.531%0.31434%0.34SS..Hα-helixtrans-54.6-44.7177.4-168.6108.7000111.8I184 F192 V227 T228 T229 S235I184-L231 HydrophobicContact CD1-CB 4.12Å; I184-L231 HydrophobicContact CD1-CD1 3.73Å; I184-L231 HydrophobicContact CG1-CD1 4.07Å; F192-L231 HydrophobicContact CE1-CD1 3.7Å; F192-L231 HydrophobicContact CE1-CG 4.21Å; F192-L231 HydrophobicContact CZ-CD1 4.21Å; V227-L231 WeakPolarHBondContact O-CB 3.45Å; V227-L231 PolarHBondContact O-N 2.85Å; T228-L231 PolarHBondContact O-N 3.26Å; T229-L231 PolarHBondContact O-N 3.44Å; L231-S235 VanDerWaalsContact O-CB 3.28Å; L231-S235 WeakPolarHBondContact O-CB 3.07Å; L231-S235 PolarHBondContact O-N 3.02Å; L231-S235 PolarHBondContact O-OG 3.32Å; L231-S235 VanDerWaalsContact O-OG 3.1Å
232L81.8Confident81.6Confident86 Ų8660.5 Ų60.545%0.4536%0.355SS..Hα-helixtrans-67.4-35.3176.6-76.2167.4000113.7T228 T229 V230 S235 K236T228-L232 HydrophobicContact CG2-CD1 4.47Å; T228-L232 WeakPolarHBondContact O-CG 3.47Å; T228-L232 PolarHBondContact O-N 2.89Å; T229-L232 PolarHBondContact O-N 3.23Å; V230-L232 VanDerWaalsContact C-N 3.28Å; V230-L232 PolarHBondContact O-N 3.19Å; L232-S235 PolarHBondContact O-OG 3.02Å; L232-K236 WeakPolarHBondContact O-CB 3.17Å; L232-K236 WeakPolarHBondContact O-CD 3.49Å; L232-K236 VanDerWaalsContact O-CG 3.23Å; L232-K236 WeakPolarHBondContact O-CG 3.39Å; L232-K236 PolarHBondContact O-N 3.28Å
233Q83.1Confident80.6Confident53 Ų5367.7 Ų67.725%0.24839%0.39CS..Hα-helixtrans-72.5-44.9176.8-63.1-63.8-61.900110.6T229 V230 K236 G237 K238T229-Q233 HydrophobicContact CG2-CG 4.4Å; T229-Q233 VanDerWaalsContact O-CG 3.31Å; T229-Q233 WeakPolarHBondContact O-CG 3.43Å; T229-Q233 PolarHBondContact O-N 2.83Å; V230-Q233 PolarHBondContact O-N 3.27Å; Q233-K236 PolarHBondContact O-N 3.29Å; Q233-G237 PolarHBondContact O-N 2.9Å; Q233-K238 HydrophobicContact CB-CB 4.32Å; Q233-K238 HydrophobicContact CB-CD 4.45Å; Q233-K238 WeakPolarHBondContact O-CB 3.39Å; Q233-K238 PolarHBondContact O-N 2.98Å
234V83.8Confident79.8Confident0 Ų067.1 Ų67.10%038%0.382CS..Hα-helixtrans-64.1-45.7179.6174.20000110.3I187 P189 F192 Y222 V230 K236 G237I187-V234 WeakPolarHBondContact O-CG1 3.38Å; P189-V234 WeakPolarHBondContact CB-O 3.49Å; F192-V234 HydrophobicContact CE2-CG1 3.84Å; Y222-V234 HydrophobicContact CE2-CG2 3.84Å; V230-V234 HydrophobicContact CG1-CG2 3.93Å; V230-V234 WeakPolarHBondContact O-CB 2.9Å; V230-V234 VanDerWaalsContact O-CG2 3.3Å; V230-V234 WeakPolarHBondContact O-CG2 3.21Å; V230-V234 PolarHBondContact O-N 2.86Å; V234-K236 VanDerWaalsContact C-N 3.26Å; V234-K236 PolarHBondContact O-N 3.17Å; V234-G237 WeakPolarHBondContact O-CA 3.32Å; V234-G237 PolarHBondContact O-N 2.82Å
235S81.9Confident79.3Confident44 Ų4463.3 Ų63.331%0.30834%0.34SS..Hα-helixtrans-62.4-32.1178680000113.1L231 L232 G237L231-S235 VanDerWaalsContact O-CB 3.28Å; L231-S235 WeakPolarHBondContact O-CB 3.07Å; L231-S235 PolarHBondContact O-N 3.02Å; L231-S235 PolarHBondContact O-OG 3.32Å; L231-S235 VanDerWaalsContact O-OG 3.1Å; L232-S235 PolarHBondContact O-OG 3.02Å; S235-G237 PolarHBondContact O-N 3.34Å
236K82.2Confident78.4Confident145 Ų14563.3 Ų63.363%0.6334%0.339SS*.THydrogen-bonded Turntrans-751.1171.2-70.1177-176.6-175.30113.7L232 Q233 V234L232-K236 WeakPolarHBondContact O-CB 3.17Å; L232-K236 WeakPolarHBondContact O-CD 3.49Å; L232-K236 VanDerWaalsContact O-CG 3.23Å; L232-K236 WeakPolarHBondContact O-CG 3.39Å; L232-K236 PolarHBondContact O-N 3.28Å; Q233-K236 PolarHBondContact O-N 3.29Å; V234-K236 VanDerWaalsContact C-N 3.26Å; V234-K236 PolarHBondContact O-N 3.17Å
237G82.1Confident77Confident9 Ų969.6 Ų69.69%0.09336%0.362CS..THydrogen-bonded Turntrans74.521.2179.500000114.3Q233 V234 S235 R239Q233-G237 PolarHBondContact O-N 2.9Å; V234-G237 WeakPolarHBondContact O-CA 3.32Å; V234-G237 PolarHBondContact O-N 2.82Å; S235-G237 PolarHBondContact O-N 3.34Å; G237-R239 PolarHBondContact O-NH1 3.43Å; G237-R239 VanDerWaalsContact O-NH1 3.14Å
238K84.8Confident76.2Confident112 Ų11274.5 Ų74.549%0.48738%0.376SS..  trans-79.4144.2173.6-71.5179169-164.80111.2Y222 Q233Y222-K238 PolarHBondContact OH-O 2.51Å; Q233-K238 HydrophobicContact CB-CB 4.32Å; Q233-K238 HydrophobicContact CB-CD 4.45Å; Q233-K238 WeakPolarHBondContact O-CB 3.39Å; Q233-K238 PolarHBondContact O-N 2.98Å
239R87.9Confident75.8Confident48 Ų4874.5 Ų74.518%0.18137%0.365CS..  trans-110.3162.6-177.9-58.1-60.6177.4-106.1-3111.1Y206 G237 W264Y206-R239 PolarHBondContact OH-NH1 3.2Å; G237-R239 PolarHBondContact O-NH1 3.43Å; G237-R239 VanDerWaalsContact O-NH1 3.14Å; R239-W264 HydrophobicContact CB-CD2 4.31Å; R239-W264 HydrophobicContact CB-CE3 4.39Å; R239-W264 HydrophobicContact CB-CH2 4.11Å; R239-W264 HydrophobicContact CB-CZ2 4.02Å; R239-W264 HydrophobicContact CB-CZ3 4.3Å; R239-W264 HydrophobicContact CG-CD2 4.06Å; R239-W264 HydrophobicContact CG-CE3 4.49Å; R239-W264 HydrophobicContact CG-CG 4.31Å; R239-W264 HydrophobicContact CG-CZ2 4.43Å; R239-W264 PolarHBondContact NE-O 3.21Å; R239-W264 PolarHBondContact NH2-O 3.15Å
240P85.9Confident75.5Confident7 Ų773.2 Ų73.25%0.04536%0.358CS..  trans-52.9149.8168.2-26.836.3000112.8I210 W213 P221 Y222 W264I210-P240 HydrophobicContact CD1-CG 4.02Å; W213-P240 HydrophobicContact CD2-CB 3.57Å; W213-P240 HydrophobicContact CD2-CG 4.21Å; W213-P240 HydrophobicContact CE3-CB 4.01Å; W213-P240 HydrophobicContact CE3-CG 4.39Å; W213-P240 HydrophobicContact CG-CB 4.07Å; W213-P240 HydrophobicContact CH2-CB 4.08Å; W213-P240 HydrophobicContact CZ2-CB 3.62Å; W213-P240 HydrophobicContact CZ3-CB 4.25Å; P221-P240 HydrophobicContact CB-CG 4.08Å; Y222-P240 HydrophobicContact CE2-CG 4.17Å; Y222-P240 WeakPolarHBondContact OH-CD 3.36Å; P240-W264 HydrophobicContact CB-CH2 4.39Å; P240-W264 HydrophobicContact CB-CZ3 4.29Å; P240-W264 HydrophobicContact CG-CH2 4.48Å; P240-W264 HydrophobicContact CG-CZ3 3.93Å
241C77.7Confident75.2Confident60 Ų6077.4 Ų77.441%0.40539%0.385SS..  trans-68.8137.8-176-170.90000111.8W213 M244W213-C241 PolarHBondContact NE1-O 2.89Å; C241-M244 HydrophobicContact CB-CG 4.12Å; C241-M244 HydrophobicContact CB-SD 4.27Å
242L75.8Confident75.1Confident68 Ų6876.8 Ų76.836%0.35638%0.38SS..SBendtrans-86.5-20.6-180-66.6172.9000113.4M244 I245 M260 W264L242-M244 PolarHBondContact O-N 3.35Å; L242-M244 VanDerWaalsContact O-N 3.16Å; L242-I245 HydrophobicContact CD2-CD1 4.35Å; L242-I245 PolarHBondContact O-N 3.05Å; L242-M260 HydrophobicContact CD2-CE 3.52Å; L242-W264 HydrophobicContact CD2-CH2 4.28Å; L242-W264 HydrophobicContact CD2-CZ2 4.01Å
243E64Low75.1Confident182 Ų18272.7 Ų72.785%0.8536%0.359SS*.THydrogen-bonded Turntrans-67.1-11.4178.2-62.4173.6-179.200112.7I245E243-I245 VanDerWaalsContact C-N 3.31Å
244M60.3Low75.1Confident73 Ų7374 Ų7436%0.3637%0.368SS..THydrogen-bonded Turntrans-86.10.9-179.7-52.9-170.290.300113.6W213 T217 Q219 C241 L242W213-M244 HydrophobicContact CZ2-CB 4.43Å; W213-M244 HydrophobicContact CZ2-SD 4.29Å; T217-M244 HydrophobicContact CG2-CB 4.38Å; Q219-M244 PolarHBondContact OE1-SD 3.08Å; Q219-M244 VanDerWaalsContact OE1-SD 3.38Å; C241-M244 HydrophobicContact CB-CG 4.12Å; C241-M244 HydrophobicContact CB-SD 4.27Å; L242-M244 PolarHBondContact O-N 3.35Å; L242-M244 VanDerWaalsContact O-N 3.16Å
245I66.3Low75.2Confident11 Ų1179.8 Ų79.86%0.05640%0.395CS..SBendtrans-80.8126.6174.9-58.8174.4000108.4W113 T217 L242 E243 E247 I257 M260W113-I245 HydrophobicContact CH2-CG2 4.26Å; T217-I245 HydrophobicContact CG2-CG1 3.81Å; L242-I245 HydrophobicContact CD2-CD1 4.35Å; L242-I245 PolarHBondContact O-N 3.05Å; E243-I245 VanDerWaalsContact C-N 3.31Å; I245-E247 PolarHBondContact O-N 3.3Å; I245-I257 HydrophobicContact CD1-CD1 3.67Å; I245-I257 HydrophobicContact CD1-CG1 3.81Å; I245-I257 HydrophobicContact CG2-CD1 4.31Å; I245-M260 HydrophobicContact CD1-CE 4.47Å
246P62.5Low75.6Confident57 Ų5777.7 Ų77.737%0.3738%0.38SS..  trans-54.3134.8-175.4-25.432.7000113.6W113 K248W113-P246 HydrophobicContact CZ2-CB 4.46Å; P246-K248 VanDerWaalsContact C-N 3.27Å; P246-K248 PolarHBondContact O-N 3.49Å
247E54.1Low75.9Confident196 Ų19671.5 Ų71.592%0.91635%0.354SS*.SBendtrans-64.3-28.4-179.1-66.5-176.2169.700113.2I245 R249I245-E247 PolarHBondContact O-N 3.3Å; E247-R249 PolarHBondContact O-N 2.82Å; E247-R249 VanDerWaalsContact O-N 3.14Å
248K59.3Low76.3Confident195 Ų19573.7 Ų73.785%0.84837%0.367SS*.SBendtrans-83.680.6173.4-67.2-176-178.9-179.30110.4W113 P246W113-K248 PolarHBondContact NE1-O 2.84Å; P246-K248 VanDerWaalsContact C-N 3.27Å; P246-K248 PolarHBondContact O-N 3.49Å
249R72.8Confident76.6Confident97 Ų9768.7 Ų68.737%0.36635%0.345SS..  trans-125.7147.717873-171-170.4-153.3-0.8112.7W113 E247 C253 D254 I257W113-R249 HydrophobicContact CH2-CB 3.88Å; W113-R249 HydrophobicContact CZ2-CB 3.37Å; E247-R249 PolarHBondContact O-N 2.82Å; E247-R249 VanDerWaalsContact O-N 3.14Å; R249-C253 HydrophobicContact CB-CB 3.99Å; R249-C253 HydrophobicContact CG-CB 4.01Å; R249-D254 IonicContact CZ-OD1 3.16Å; R249-D254 IonicContact NE-OD1 3.01Å; R249-D254 PolarHBondContact NE-OD1 3.24Å; R249-D254 IonicContact NH2-OD1 2.64Å; R249-D254 PolarHBondContact NH2-OD1 3.46Å; R249-I257 VanDerWaalsContact CZ-CD1 3.42Å
250P76.6Confident76.9Confident29 Ų2966.4 Ų66.419%0.18834%0.337CS..  trans-67.9152.8172.431.3-36.2000110.4W113 E252 C253W113-P250 HydrophobicContact CB-CG 3.96Å; W113-P250 VanDerWaalsContact CD1-CD 3.42Å; W113-P250 HydrophobicContact CD2-CG 4.24Å; W113-P250 VanDerWaalsContact CG-CD 3.46Å; W113-P250 HydrophobicContact CG-CG 3.88Å; P250-E252 WeakPolarHBondContact CB-OE2 3.42Å; P250-E252 PolarHBondContact O-N 3.1Å; P250-C253 HydrophobicContact CG-CB 4.43Å; P250-C253 WeakPolarHBondContact O-CB 3.48Å; P250-C253 PolarHBondContact O-N 2.99Å
251P75.3Confident77.2Confident94 Ų9469.8 Ų69.861%0.6135%0.352SS*.THydrogen-bonded Turntrans-60.1-30.9-175.823.5-32.3000112.8C253 D254P251-C253 PolarHBondContact O-N 3.3Å; P251-C253 VanDerWaalsContact O-N 3.08Å; P251-D254 PolarHBondContact O-N 2.82Å; P251-D254 VanDerWaalsContact O-N 3.12Å
252E78.3Confident77.9Confident46 Ų4670 Ų7022%0.21535%0.347CS..Hα-helixtrans-61.6-17.9175.8-60.978.4-16800112.7F117 P250 D254 E255 L256 L284 V287F117-E252 HydrophobicContact CE1-CB 3.98Å; F117-E252 HydrophobicContact CZ-CB 4.29Å; P250-E252 WeakPolarHBondContact CB-OE2 3.42Å; P250-E252 PolarHBondContact O-N 3.1Å; E252-D254 VanDerWaalsContact C-N 3.26Å; E252-D254 PolarHBondContact O-N 2.99Å; E252-E255 PolarHBondContact O-N 2.97Å; E252-L256 PolarHBondContact O-N 3.03Å; E252-L284 HydrophobicContact CB-CD2 3.91Å; E252-L284 HydrophobicContact CG-CD2 4.46Å; E252-V287 HydrophobicContact CG-CG1 3.9Å
253C82.4Confident78.8Confident0 Ų066.8 Ų66.80%033%0.33CS..Hα-helixtrans-67.3-26.4176.2-169.20000112.8W113 F117 R249 P250 P251 E255 L256 I257W113-C253 HydrophobicContact CZ3-CB 4.46Å; W113-C253 WeakPolarHBondContact CZ3-SG 3.31Å; F117-C253 HydrophobicContact CZ-CB 4.16Å; R249-C253 HydrophobicContact CB-CB 3.99Å; R249-C253 HydrophobicContact CG-CB 4.01Å; P250-C253 HydrophobicContact CG-CB 4.43Å; P250-C253 WeakPolarHBondContact O-CB 3.48Å; P250-C253 PolarHBondContact O-N 2.99Å; P251-C253 PolarHBondContact O-N 3.3Å; P251-C253 VanDerWaalsContact O-N 3.08Å; C253-E255 VanDerWaalsContact C-N 3.34Å; C253-L256 PolarHBondContact O-N 3.22Å; C253-I257 VanDerWaalsContact O-CG1 3.26Å; C253-I257 WeakPolarHBondContact O-CG1 3.49Å; C253-I257 PolarHBondContact O-N 2.84Å
254D84.1Confident80.1Confident82 Ų8258.9 Ų58.944%0.43929%0.292SS..Hα-helixtrans-67.1-38.2179.4-67.1-25.1000111.3R249 P251 E252 I257 C258R249-D254 IonicContact CZ-OD1 3.16Å; R249-D254 IonicContact NE-OD1 3.01Å; R249-D254 PolarHBondContact NE-OD1 3.24Å; R249-D254 IonicContact NH2-OD1 2.64Å; R249-D254 PolarHBondContact NH2-OD1 3.46Å; P251-D254 PolarHBondContact O-N 2.82Å; P251-D254 VanDerWaalsContact O-N 3.12Å; E252-D254 VanDerWaalsContact C-N 3.26Å; E252-D254 PolarHBondContact O-N 2.99Å; D254-I257 PolarHBondContact O-N 3.19Å; D254-C258 PolarHBondContact O-N 2.83Å
255E85.8Confident81.6Confident120 Ų12057.9 Ų57.956%0.56129%0.289SS*.Hα-helixtrans-66-39.1173.9-68-170.6-168.800111.7E252 C253 I257 C258 I259 L284E252-E255 PolarHBondContact O-N 2.97Å; C253-E255 VanDerWaalsContact C-N 3.34Å; E255-I257 VanDerWaalsContact C-N 3.34Å; E255-I257 PolarHBondContact O-N 3.27Å; E255-C258 VanDerWaalsContact O-CB 3.29Å; E255-C258 WeakPolarHBondContact O-CB 3.39Å; E255-C258 PolarHBondContact O-N 3.11Å; E255-C258 VanDerWaalsContact O-N 3.14Å; E255-I259 WeakPolarHBondContact O-CG1 3.42Å; E255-I259 PolarHBondContact O-N 3.08Å; E255-L284 HydrophobicContact CB-CD1 4.11Å; E255-L284 HydrophobicContact CB-CD2 3.9Å; E255-L284 WeakPolarHBondContact OE2-CD2 3.49Å
256L88.7Confident82.5Confident1 Ų164.2 Ų64.21%0.00532%0.316CS..Hα-helixtrans-67.1-36.1177.3-163.459.3000112.3F117 I120 L216 E252 C253 C258 I259 M260 T281 L284F117-L256 HydrophobicContact CD1-CD2 4Å; F117-L256 HydrophobicContact CD2-CD2 3.6Å; F117-L256 HydrophobicContact CE1-CB 4.45Å; F117-L256 HydrophobicContact CE1-CD2 3.91Å; F117-L256 HydrophobicContact CE2-CD2 3.51Å; F117-L256 HydrophobicContact CG-CD2 3.88Å; F117-L256 HydrophobicContact CZ-CB 4.31Å; F117-L256 HydrophobicContact CZ-CD2 3.7Å; I120-L256 HydrophobicContact CD1-CD1 4.5Å; I120-L256 HydrophobicContact CD1-CD2 3.71Å; I120-L256 HydrophobicContact CD1-CG 4.31Å; I120-L256 HydrophobicContact CG2-CD1 4.03Å; L216-L256 HydrophobicContact CD2-CD2 3.66Å; L216-L256 HydrophobicContact CD2-CG 4.39Å; E252-L256 PolarHBondContact O-N 3.03Å; C253-L256 PolarHBondContact O-N 3.22Å; L256-C258 VanDerWaalsContact C-N 3.33Å; L256-I259 HydrophobicContact CD1-CD1 4.3Å; L256-I259 PolarHBondContact O-N 2.99Å; L256-M260 WeakPolarHBondContact O-CB 3.48Å; L256-M260 PolarHBondContact O-N 3.18Å; L256-T281 HydrophobicContact CD1-CG2 4.17Å; L256-L284 HydrophobicContact CB-CD1 4.27Å; L256-L284 HydrophobicContact CD1-CD1 4.14Å
257I88.8Confident83.6Confident15 Ų1564.8 Ų64.88%0.07732%0.316CS..Hα-helixtrans-64.8-39.2171.1-69.1165000110.4L216 I245 R249 C253 D254 E255 M260 Q261L216-I257 HydrophobicContact CD1-CG1 4.17Å; I245-I257 HydrophobicContact CD1-CD1 3.67Å; I245-I257 HydrophobicContact CD1-CG1 3.81Å; I245-I257 HydrophobicContact CG2-CD1 4.31Å; R249-I257 VanDerWaalsContact CZ-CD1 3.42Å; C253-I257 VanDerWaalsContact O-CG1 3.26Å; C253-I257 WeakPolarHBondContact O-CG1 3.49Å; C253-I257 PolarHBondContact O-N 2.84Å; D254-I257 PolarHBondContact O-N 3.19Å; E255-I257 VanDerWaalsContact C-N 3.34Å; E255-I257 PolarHBondContact O-N 3.27Å; I257-M260 HydrophobicContact CG2-CE 4.1Å; I257-M260 WeakPolarHBondContact O-CB 3.35Å; I257-M260 PolarHBondContact O-N 2.86Å; I257-Q261 HydrophobicContact CG2-CG 4.4Å; I257-Q261 WeakPolarHBondContact O-CB 3.38Å; I257-Q261 VanDerWaalsContact O-CG 3.26Å; I257-Q261 WeakPolarHBondContact O-CG 3.32Å; I257-Q261 PolarHBondContact O-N 2.8Å
258C90.2Very high85.3Confident55 Ų5557.2 Ų57.237%0.37228%0.284SS..Hα-helixtrans-62.1-45.4174.5-170.20000111.6D254 E255 L256 M260 Q261 Q262D254-C258 PolarHBondContact O-N 2.83Å; E255-C258 VanDerWaalsContact O-CB 3.29Å; E255-C258 WeakPolarHBondContact O-CB 3.39Å; E255-C258 PolarHBondContact O-N 3.11Å; E255-C258 VanDerWaalsContact O-N 3.14Å; L256-C258 VanDerWaalsContact C-N 3.33Å; C258-M260 PolarHBondContact O-N 3.03Å; C258-Q261 PolarHBondContact O-N 3.14Å; C258-Q262 VanDerWaalsContact O-CG 3.31Å; C258-Q262 WeakPolarHBondContact O-CG 3.47Å; C258-Q262 PolarHBondContact O-N 3.37Å; C258-Q262 PolarHBondContact SG-NE2 2.83Å
259I91.9Very high86.6Confident6 Ų656.1 Ų56.13%0.03128%0.282CS..Hα-helixtrans-59.5-48.1175.4-65.3165000110.5E255 L256 Q261 Q262 C263 T277 K280 T281 L284E255-I259 WeakPolarHBondContact O-CG1 3.42Å; E255-I259 PolarHBondContact O-N 3.08Å; L256-I259 HydrophobicContact CD1-CD1 4.3Å; L256-I259 PolarHBondContact O-N 2.99Å; I259-Q261 VanDerWaalsContact C-N 3.28Å; I259-Q261 PolarHBondContact O-N 3.13Å; I259-Q262 PolarHBondContact O-N 3.42Å; I259-C263 PolarHBondContact O-N 3.07Å; I259-C263 PolarHBondContact O-SG 2.68Å; I259-T277 HydrophobicContact CG2-CG2 3.97Å; I259-K280 HydrophobicContact CD1-CB 3.58Å; I259-K280 HydrophobicContact CD1-CD 4.22Å; I259-K280 HydrophobicContact CG1-CB 4.26Å; I259-K280 HydrophobicContact CG1-CD 3.96Å; I259-T281 HydrophobicContact CD1-CG2 4.23Å; I259-L284 HydrophobicContact CD1-CD1 3.79Å
260M94.6Very high87.4Confident0 Ų058.3 Ų58.30%029%0.294CS..Hα-helixtrans-55.4-44.7175.6179.9-170.871.500111.5G209 I212 W213 L216 L242 I245 L256 I257 C258 C263 W264G209-M260 WeakPolarHBondContact O-CG 3.09Å; I212-M260 HydrophobicContact CB-CB 4.18Å; I212-M260 HydrophobicContact CB-CG 4Å; I212-M260 HydrophobicContact CD1-CB 4.34Å; I212-M260 HydrophobicContact CG2-CB 3.7Å; I212-M260 HydrophobicContact CG2-CG 3.85Å; I212-M260 HydrophobicContact CG2-SD 4.03Å; W213-M260 WeakPolarHBondContact CA-SD 3.16Å; W213-M260 HydrophobicContact CB-SD 3.54Å; W213-M260 VanDerWaalsContact CB-SD 3.54Å; W213-M260 HydrophobicContact CG-SD 4.13Å; L216-M260 HydrophobicContact CD1-SD 4.13Å; L242-M260 HydrophobicContact CD2-CE 3.52Å; I245-M260 HydrophobicContact CD1-CE 4.47Å; L256-M260 WeakPolarHBondContact O-CB 3.48Å; L256-M260 PolarHBondContact O-N 3.18Å; I257-M260 HydrophobicContact CG2-CE 4.1Å; I257-M260 WeakPolarHBondContact O-CB 3.35Å; I257-M260 PolarHBondContact O-N 2.86Å; C258-M260 PolarHBondContact O-N 3.03Å; M260-C263 WeakPolarHBondContact O-CB 3.25Å; M260-C263 PolarHBondContact O-N 2.82Å; M260-W264 HydrophobicContact CE-CH2 4Å; M260-W264 HydrophobicContact CE-CZ2 3.89Å; M260-W264 PolarHBondContact O-N 3.09Å; M260-W264 HydrophobicContact SD-CH2 4.29Å
261Q92.3Very high88.3Confident78 Ų7857.8 Ų57.836%0.36429%0.288SS..Hα-helixtrans-66.1-37.4179.1-74.9174.9-17.700113.4I257 C258 I259 C263I257-Q261 HydrophobicContact CG2-CG 4.4Å; I257-Q261 WeakPolarHBondContact O-CB 3.38Å; I257-Q261 VanDerWaalsContact O-CG 3.26Å; I257-Q261 WeakPolarHBondContact O-CG 3.32Å; I257-Q261 PolarHBondContact O-N 2.8Å; C258-Q261 PolarHBondContact O-N 3.14Å; I259-Q261 VanDerWaalsContact C-N 3.28Å; I259-Q261 PolarHBondContact O-N 3.13Å; Q261-C263 VanDerWaalsContact C-N 3.34Å
262Q93Very high89.1Confident65 Ų6554.1 Ų54.130%0.30426%0.264SS..Hα-helixtrans-65.9-38172.9-70.3171100111.3C258 I259 W264 D265 P272C258-Q262 VanDerWaalsContact O-CG 3.31Å; C258-Q262 WeakPolarHBondContact O-CG 3.47Å; C258-Q262 PolarHBondContact O-N 3.37Å; C258-Q262 PolarHBondContact SG-NE2 2.83Å; I259-Q262 PolarHBondContact O-N 3.42Å; Q262-W264 PolarHBondContact O-N 3.17Å; Q262-D265 PolarHBondContact O-N 3.17Å; Q262-P272 HydrophobicContact CB-CG 4.26Å; Q262-P272 WeakPolarHBondContact O-CD 3.42Å
263C93.9Very high89.8Confident0 Ų056.7 Ų56.70%028%0.279CS..Hα-helixtrans-63.9-38-179.1-70.10000113V205 Y206 I259 M260 Q261 R271V205-C263 HydrophobicContact CG1-CB 3.98Å; V205-C263 WeakPolarHBondContact O-CB 3.32Å; Y206-C263 WeakPolarHBondContact CA-O 3.44Å; I259-C263 PolarHBondContact O-N 3.07Å; I259-C263 PolarHBondContact O-SG 2.68Å; M260-C263 WeakPolarHBondContact O-CB 3.25Å; M260-C263 PolarHBondContact O-N 2.82Å; Q261-C263 VanDerWaalsContact C-N 3.34Å; C263-R271 VanDerWaalsContact O-CD 3.22Å; C263-R271 WeakPolarHBondContact O-CD 3.44Å; C263-R271 WeakPolarHBondContact O-CG 3.45Å
264W92.4Very high90.3Very high16 Ų1656.9 Ų56.96%0.06128%0.28CS..THydrogen-bonded Turntrans-101.423.4-178.369.112.6000114.6Y206 I210 W213 R239 P240 L242 M260 Q262Y206-W264 HydrophobicContact CD2-CB 3.87Å; Y206-W264 HydrophobicContact CE2-CB 3.8Å; I210-W264 HydrophobicContact CD1-CE3 3.6Å; I210-W264 HydrophobicContact CD1-CZ3 3.97Å; I210-W264 HydrophobicContact CG1-CE3 4.45Å; W213-W264 HydrophobicContact CB-CH2 4.3Å; W213-W264 HydrophobicContact CB-CZ3 3.9Å; W213-W264 AromaticContact CD1-CH2 3.63Å; W213-W264 HydrophobicContact CG-CH2 4.1Å; W213-W264 HydrophobicContact CG-CZ3 4.02Å; R239-W264 HydrophobicContact CB-CD2 4.31Å; R239-W264 HydrophobicContact CB-CE3 4.39Å; R239-W264 HydrophobicContact CB-CH2 4.11Å; R239-W264 HydrophobicContact CB-CZ2 4.02Å; R239-W264 HydrophobicContact CB-CZ3 4.3Å; R239-W264 HydrophobicContact CG-CD2 4.06Å; R239-W264 HydrophobicContact CG-CE3 4.49Å; R239-W264 HydrophobicContact CG-CG 4.31Å; R239-W264 HydrophobicContact CG-CZ2 4.43Å; R239-W264 PolarHBondContact NE-O 3.21Å; R239-W264 PolarHBondContact NH2-O 3.15Å; P240-W264 HydrophobicContact CB-CH2 4.39Å; P240-W264 HydrophobicContact CB-CZ3 4.29Å; P240-W264 HydrophobicContact CG-CH2 4.48Å; P240-W264 HydrophobicContact CG-CZ3 3.93Å; L242-W264 HydrophobicContact CD2-CH2 4.28Å; L242-W264 HydrophobicContact CD2-CZ2 4.01Å; M260-W264 HydrophobicContact CE-CH2 4Å; M260-W264 HydrophobicContact CE-CZ2 3.89Å; M260-W264 PolarHBondContact O-N 3.09Å; M260-W264 HydrophobicContact SD-CH2 4.29Å; Q262-W264 PolarHBondContact O-N 3.17Å
265D90.9Very high90.5Very high52 Ų5255.6 Ų55.628%0.27828%0.278SS..  trans-54.1147.3178.1-164.6-68.2000111.1Q262 N267 K270 R271Q262-D265 PolarHBondContact O-N 3.17Å; D265-N267 VanDerWaalsContact C-N 3.27Å; D265-N267 PolarHBondContact O-N 3.04Å; D265-N267 PolarHBondContact OD1-N 3.37Å; D265-K270 HydrophobicContact CB-CB 4.35Å; D265-R271 HydrophobicContact CB-CG 4.28Å; D265-R271 PolarHBondContact O-NE 3.44Å; D265-R271 PolarHBondContact O-NH2 3.4Å
266K85Confident90.7Very high145 Ų14552.5 Ų52.563%0.6327%0.265SS*.SBendtrans-65.1-32.9178.8-71.2-173179.8-176.40111.9P268K266-P268 WeakPolarHBondContact O-CD 3.44Å
267N86.4Confident90.7Very high68 Ų6852.5 Ų52.536%0.36427%0.265SS..SBendtrans-90.4117.1175.5-175.5-10.8000109.9D265 Q269 K270D265-N267 VanDerWaalsContact C-N 3.27Å; D265-N267 PolarHBondContact O-N 3.04Å; D265-N267 PolarHBondContact OD1-N 3.37Å; N267-Q269 PolarHBondContact O-N 2.67Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.39Å; N267-Q269 PolarHBondContact OD1-N 3.45Å; N267-K270 HydrophobicContact CB-CB 4.35Å; N267-K270 HydrophobicContact CB-CD 4.14Å; N267-K270 HydrophobicContact CB-CG 4.07Å; N267-K270 PolarHBondContact O-N 3.02Å; N267-K270 VanDerWaalsContact O-N 3.1Å
268P88.1Confident90.8Very high38 Ų3852.7 Ų52.725%0.24727%0.266CS..G310 helixtrans-57.6-31.7179.2-2434.5000113.8E190 A202 K266 K270 R271E190-P268 HydrophobicContact CB-CG 4.43Å; E190-P268 HydrophobicContact CG-CG 3.92Å; E190-P268 WeakPolarHBondContact OE1-CG 3.37Å; A202-P268 HydrophobicContact CB-CB 4.02Å; K266-P268 WeakPolarHBondContact O-CD 3.44Å; P268-K270 VanDerWaalsContact C-N 3.28Å; P268-K270 PolarHBondContact O-N 3.22Å; P268-R271 WeakPolarHBondContact O-CB 3.24Å; P268-R271 PolarHBondContact O-N 3.35Å
269Q87.4Confident90.6Very high172 Ų17257.3 Ų57.380%0.80428%0.276SS*.G310 helixtrans-73.9-16.6-178.5-59.7-60.8-23.100113.6N267N267-Q269 PolarHBondContact O-N 2.67Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.39Å; N267-Q269 PolarHBondContact OD1-N 3.45Å
270K90.3Very high90.3Very high143 Ų14360.6 Ų60.662%0.62229%0.29SS*.G310 helixtrans-88.3-9.8176.1-70.6-173.2175.9-175.90113D265 N267 P268D265-K270 HydrophobicContact CB-CB 4.35Å; N267-K270 HydrophobicContact CB-CB 4.35Å; N267-K270 HydrophobicContact CB-CD 4.14Å; N267-K270 HydrophobicContact CB-CG 4.07Å; N267-K270 PolarHBondContact O-N 3.02Å; N267-K270 VanDerWaalsContact O-N 3.1Å; P268-K270 VanDerWaalsContact C-N 3.28Å; P268-K270 PolarHBondContact O-N 3.22Å
271R94.1Very high90.1Very high17 Ų1760.8 Ų60.86%0.06429%0.291CS..SBendtrans-72.1136.2-179.2-62.2-179.8-171.1151.110.4109.3E190 A202 V205 C263 D265 P268E190-R271 VanDerWaalsContact CD-NH2 3.26Å; E190-R271 IonicContact OE1-CZ 2.89Å; E190-R271 IonicContact OE1-NH1 3.97Å; E190-R271 PolarHBondContact OE1-NH1 3.09Å; E190-R271 IonicContact OE1-NH2 2.86Å; E190-R271 PolarHBondContact OE1-NH2 3.03Å; E190-R271 IonicContact OE2-CZ 2.68Å; E190-R271 IonicContact OE2-NH1 3.89Å; E190-R271 IonicContact OE2-NH2 3.42Å; E190-R271 PolarHBondContact OE2-NH2 2.95Å; A202-R271 PolarHBondContact O-NH1 3.11Å; V205-R271 HydrophobicContact CB-CB 4.43Å; V205-R271 HydrophobicContact CG1-CB 3.89Å; C263-R271 VanDerWaalsContact O-CD 3.22Å; C263-R271 WeakPolarHBondContact O-CD 3.44Å; C263-R271 WeakPolarHBondContact O-CG 3.45Å; D265-R271 HydrophobicContact CB-CG 4.28Å; D265-R271 PolarHBondContact O-NE 3.44Å; D265-R271 PolarHBondContact O-NH2 3.4Å; P268-R271 WeakPolarHBondContact O-CB 3.24Å; P268-R271 PolarHBondContact O-N 3.35Å
272P93.7Very high89.7Confident18 Ų1861.6 Ų61.612%0.11730%0.295CS..PPolyproline II helixtrans-69.5154.6-176.629.2-35000111.5V205 Q262V205-P272 HydrophobicContact CG1-CG 4.36Å; V205-P272 WeakPolarHBondContact CG2-O 3.36Å; Q262-P272 HydrophobicContact CB-CG 4.26Å; Q262-P272 WeakPolarHBondContact O-CD 3.42Å
273L91.3Very high89.1Confident100 Ų10062.5 Ų62.552%0.52431%0.305SS..PPolyproline II helixtrans-69.5153.5166.3-67.1168.7000109.9S275 D276 T277L273-S275 WeakPolarHBondContact CB-OG 3.46Å; L273-S275 PolarHBondContact O-N 3.48Å; L273-D276 PolarHBondContact O-N 2.89Å; L273-T277 PolarHBondContact O-N 2.9Å; L273-T277 VanDerWaalsContact O-N 3.08Å; L273-T277 PolarHBondContact O-OG1 3.21Å
274F93.6Very high88.4Confident3 Ų362.7 Ų62.71%0.01331%0.306CS..Hα-helixtrans-64.7-27.1175.4-87.3-75000112.6M127 N128 H131 D204 V205 F208 D276 T277 V278M127-F274 HydrophobicContact CB-CD1 3.55Å; M127-F274 HydrophobicContact CB-CD2 3.9Å; M127-F274 HydrophobicContact CB-CE1 3.37Å; M127-F274 HydrophobicContact CB-CE2 3.71Å; M127-F274 HydrophobicContact CB-CG 3.81Å; M127-F274 HydrophobicContact CB-CZ 3.44Å; M127-F274 VanDerWaalsContact CB-CZ 3.44Å; M127-F274 HydrophobicContact CE-CE2 4.14Å; M127-F274 HydrophobicContact CE-CZ 4.29Å; M127-F274 HydrophobicContact CG-CE1 3.85Å; M127-F274 HydrophobicContact CG-CE2 4.33Å; M127-F274 HydrophobicContact CG-CZ 3.75Å; N128-F274 HydrophobicContact CB-CB 3.86Å; H131-F274 AromaticContact CE1-CD2 3.51Å; H131-F274 AromaticContact CE1-CE2 3.53Å; H131-F274 AromaticContact ND1-CD2 3.37Å; H131-F274 WeakPolarHBondContact ND1-CD2 3.35Å; H131-F274 AromaticContact ND1-CE2 3.9Å; D204-F274 HydrophobicContact CB-CE2 4.15Å; V205-F274 HydrophobicContact CB-CE2 4.38Å; V205-F274 HydrophobicContact CG2-CD2 3.82Å; V205-F274 HydrophobicContact CG2-CE2 3.55Å; V205-F274 HydrophobicContact CG2-CZ 4.24Å; F208-F274 HydrophobicContact CB-CE1 4.02Å; F208-F274 HydrophobicContact CB-CZ 3.74Å; F208-F274 AromaticContact CD1-CE1 3.6Å; F208-F274 HydrophobicContact CD1-CE1 3.6Å; F208-F274 HydrophobicContact CD1-CZ 4.16Å; F208-F274 HydrophobicContact CD2-CE1 4.25Å; F208-F274 HydrophobicContact CE1-CE1 4.08Å; F208-F274 AromaticContact CG-CE1 3.68Å; F208-F274 HydrophobicContact CG-CE1 3.68Å; F208-F274 AromaticContact CG-CZ 3.95Å; F208-F274 HydrophobicContact CG-CZ 3.95Å; F274-D276 PolarHBondContact O-N 2.98Å; F274-T277 PolarHBondContact O-N 3.02Å; F274-V278 WeakPolarHBondContact O-CB 3.42Å; F274-V278 VanDerWaalsContact O-CG2 3.27Å; F274-V278 WeakPolarHBondContact O-CG2 3.47Å; F274-V278 PolarHBondContact O-N 3.46Å
275S89.2Confident87.4Confident56 Ų5662.3 Ų62.339%0.39231%0.305SS..Hα-helixtrans-59.7-45173.451.40000112.2N128 L273 R279N128-S275 WeakPolarHBondContact OD1-CA 3.46Å; N128-S275 PolarHBondContact OD1-N 2.98Å; N128-S275 VanDerWaalsContact OD1-N 3.08Å; L273-S275 WeakPolarHBondContact CB-OG 3.46Å; L273-S275 PolarHBondContact O-N 3.48Å; S275-R279 PolarHBondContact O-N 2.89Å
276D89.1Confident86.2Confident54 Ų5464 Ų6429%0.28931%0.311SS..Hα-helixtrans-68.1-40.4175.1-74.7-49.4000112.1L273 F274 R279 K280L273-D276 PolarHBondContact O-N 2.89Å; F274-D276 PolarHBondContact O-N 2.98Å; D276-R279 PolarHBondContact O-N 3.47Å; D276-R279 IonicContact OD1-CZ 2.65Å; D276-R279 IonicContact OD1-NH2 2.94Å; D276-R279 PolarHBondContact OD1-NH2 2.96Å; D276-K280 WeakPolarHBondContact O-CG 3.26Å; D276-K280 PolarHBondContact O-N 3.18Å
277T88.6Confident84.9Confident1 Ų160.2 Ų60.21%0.00630%0.301CS..Hα-helixtrans-63.9-40.6178-56.20000111.7F208 I259 L273 F274 K280 T281F208-T277 HydrophobicContact CD1-CG2 4.36Å; F208-T277 HydrophobicContact CE1-CG2 3.61Å; F208-T277 HydrophobicContact CZ-CG2 4.48Å; I259-T277 HydrophobicContact CG2-CG2 3.97Å; L273-T277 PolarHBondContact O-N 2.9Å; L273-T277 VanDerWaalsContact O-N 3.08Å; L273-T277 PolarHBondContact O-OG1 3.21Å; F274-T277 PolarHBondContact O-N 3.02Å; T277-K280 PolarHBondContact O-N 2.9Å; T277-T281 HydrophobicContact CG2-CG2 4.34Å; T277-T281 WeakPolarHBondContact O-CB 3.26Å; T277-T281 VanDerWaalsContact O-CG2 3.29Å; T277-T281 WeakPolarHBondContact O-CG2 3.47Å; T277-T281 PolarHBondContact O-N 3.17Å; T277-T281 PolarHBondContact O-OG1 3.23Å
278V90.2Very high83.2Confident19 Ų1958.5 Ų58.512%0.11529%0.291CS..Hα-helixtrans-60.7-51.5174.1168.90000110.1S124 M125 N128 F274 K280 T281 E282S124-V278 VanDerWaalsContact C-CG2 3.45Å; S124-V278 WeakPolarHBondContact O-CG2 3.43Å; S124-V278 WeakPolarHBondContact OG-CG2 3.08Å; M125-V278 HydrophobicContact CG-CG1 4.06Å; M125-V278 HydrophobicContact CG-CG2 4.22Å; N128-V278 HydrophobicContact CB-CG2 3.7Å; F274-V278 WeakPolarHBondContact O-CB 3.42Å; F274-V278 VanDerWaalsContact O-CG2 3.27Å; F274-V278 WeakPolarHBondContact O-CG2 3.47Å; F274-V278 PolarHBondContact O-N 3.46Å; V278-K280 VanDerWaalsContact C-N 3.32Å; V278-K280 PolarHBondContact O-N 3.08Å; V278-T281 WeakPolarHBondContact CA-OG1 3.36Å; V278-T281 PolarHBondContact O-N 3.42Å; V278-T281 PolarHBondContact O-OG1 3.36Å; V278-T281 VanDerWaalsContact O-OG1 3.07Å; V278-E282 VanDerWaalsContact O-CB 3.26Å; V278-E282 WeakPolarHBondContact O-CB 3.46Å; V278-E282 PolarHBondContact O-N 2.96Å
279R85.9Confident81.1Confident152 Ų15262.3 Ų62.357%0.57430%0.304SS*.Hα-helixtrans-55.5-45.5178.8179.1177.158.2160.8-6.6112.3S275 D276 T283S275-R279 PolarHBondContact O-N 2.89Å; D276-R279 PolarHBondContact O-N 3.47Å; D276-R279 IonicContact OD1-CZ 2.65Å; D276-R279 IonicContact OD1-NH2 2.94Å; D276-R279 PolarHBondContact OD1-NH2 2.96Å; R279-T283 PolarHBondContact O-N 2.84Å; R279-T283 PolarHBondContact O-OG1 3.18Å; R279-T283 VanDerWaalsContact O-OG1 3.12Å
280K87.3Confident78.3Confident76 Ų7659.9 Ų59.933%0.3330%0.295SS..Hα-helixtrans-67.9-43.3178.9-67.8178.1-179179.30112.3I259 D276 T277 V278 E282 L284I259-K280 HydrophobicContact CD1-CB 3.58Å; I259-K280 HydrophobicContact CD1-CD 4.22Å; I259-K280 HydrophobicContact CG1-CB 4.26Å; I259-K280 HydrophobicContact CG1-CD 3.96Å; D276-K280 WeakPolarHBondContact O-CG 3.26Å; D276-K280 PolarHBondContact O-N 3.18Å; T277-K280 PolarHBondContact O-N 2.9Å; V278-K280 VanDerWaalsContact C-N 3.32Å; V278-K280 PolarHBondContact O-N 3.08Å; K280-E282 VanDerWaalsContact C-N 3.35Å; K280-L284 WeakPolarHBondContact O-CG 3.39Å; K280-L284 PolarHBondContact O-N 3.41Å
281T88.8Confident75.1Confident4 Ų459.3 Ų59.33%0.02531%0.306CS..Hα-helixtrans-71.3-28.8179.553.90000112.9I120 H121 S124 L256 I259 T277 V278 N285I120-T281 HydrophobicContact CG2-CG2 4.08Å; H121-T281 PolarHBondContact ND1-OG1 2.85Å; H121-T281 VanDerWaalsContact ND1-OG1 3.17Å; S124-T281 PolarHBondContact OG-OG1 3.06Å; S124-T281 VanDerWaalsContact OG-OG1 3.05Å; L256-T281 HydrophobicContact CD1-CG2 4.17Å; I259-T281 HydrophobicContact CD1-CG2 4.23Å; T277-T281 HydrophobicContact CG2-CG2 4.34Å; T277-T281 WeakPolarHBondContact O-CB 3.26Å; T277-T281 VanDerWaalsContact O-CG2 3.29Å; T277-T281 WeakPolarHBondContact O-CG2 3.47Å; T277-T281 PolarHBondContact O-N 3.17Å; T277-T281 PolarHBondContact O-OG1 3.23Å; V278-T281 WeakPolarHBondContact CA-OG1 3.36Å; V278-T281 PolarHBondContact O-N 3.42Å; V278-T281 PolarHBondContact O-OG1 3.36Å; V278-T281 VanDerWaalsContact O-OG1 3.07Å; T281-N285 VanDerWaalsContact O-CB 3.28Å; T281-N285 WeakPolarHBondContact O-CB 3.37Å; T281-N285 PolarHBondContact O-N 3.45Å
282E85Confident72.1Confident94 Ų9461.4 Ų61.444%0.43933%0.333SS..Hα-helixtrans-64.2-51.2173.8-171.6170.6-148.300110.8H121 V278 K280 L284 N285 E286H121-E282 PolarHBondContact ND1-N 3.48Å; V278-E282 VanDerWaalsContact O-CB 3.26Å; V278-E282 WeakPolarHBondContact O-CB 3.46Å; V278-E282 PolarHBondContact O-N 2.96Å; K280-E282 VanDerWaalsContact C-N 3.35Å; E282-L284 VanDerWaalsContact C-N 3.28Å; E282-L284 PolarHBondContact O-N 3.25Å; E282-N285 PolarHBondContact O-N 3.06Å; E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3.39Å
283T79.9Confident68.7Low84 Ų8466.9 Ų66.952%0.51537%0.366SS..Hα-helixtrans-54.1-46175.9-53.70000111.5R279 N285 E286 V287R279-T283 PolarHBondContact O-N 2.84Å; R279-T283 PolarHBondContact O-OG1 3.18Å; R279-T283 VanDerWaalsContact O-OG1 3.12Å; T283-N285 VanDerWaalsContact C-N 3.33Å; T283-N285 PolarHBondContact O-N 3.14Å; T283-E286 PolarHBondContact O-N 3.2Å; T283-V287 VanDerWaalsContact O-CG2 3.25Å; T283-V287 WeakPolarHBondContact O-CG2 3.36Å; T283-V287 PolarHBondContact O-N 2.87Å; T283-V287 VanDerWaalsContact O-N 3.1Å
284L78.5Confident65.5Low4 Ų469.6 Ų69.62%0.02138%0.38CS..Hα-helixtrans-65.8-34.4178.7-68.1171.1000113F117 E252 E255 L256 I259 K280 E282 L288F117-L284 HydrophobicContact CD1-CB 3.92Å; F117-L284 HydrophobicContact CE1-CB 4.05Å; E252-L284 HydrophobicContact CB-CD2 3.91Å; E252-L284 HydrophobicContact CG-CD2 4.46Å; E255-L284 HydrophobicContact CB-CD1 4.11Å; E255-L284 HydrophobicContact CB-CD2 3.9Å; E255-L284 WeakPolarHBondContact OE2-CD2 3.49Å; L256-L284 HydrophobicContact CB-CD1 4.27Å; L256-L284 HydrophobicContact CD1-CD1 4.14Å; I259-L284 HydrophobicContact CD1-CD1 3.79Å; K280-L284 WeakPolarHBondContact O-CG 3.39Å; K280-L284 PolarHBondContact O-N 3.41Å; E282-L284 VanDerWaalsContact C-N 3.28Å; E282-L284 PolarHBondContact O-N 3.25Å; L284-L288 WeakPolarHBondContact O-CG 3.49Å
285N73.2Confident62.4Low8 Ų876.6 Ų76.64%0.04342%0.423CS..Hα-helixtrans-75.1-36.9178.5-168.741.4000111.9H121 T281 E282 T283 L288 K289H121-N285 HydrophobicContact CB-CB 4.43Å; T281-N285 VanDerWaalsContact O-CB 3.28Å; T281-N285 WeakPolarHBondContact O-CB 3.37Å; T281-N285 PolarHBondContact O-N 3.45Å; E282-N285 PolarHBondContact O-N 3.06Å; T283-N285 VanDerWaalsContact C-N 3.33Å; T283-N285 PolarHBondContact O-N 3.14Å; N285-L288 PolarHBondContact O-N 3.13Å; N285-K289 WeakPolarHBondContact ND2-CE 3.38Å; N285-K289 PolarHBondContact ND2-NZ 3.21Å; N285-K289 WeakPolarHBondContact O-CG 3.4Å; N285-K289 PolarHBondContact O-N 2.92Å
286E64.9Low59.3Low87 Ų8776.5 Ų76.541%0.40743%0.431SS..Hα-helixtrans-68.9-38.7176.4-69.3-53.4128.300112.4E282 T283 L288 K289 I290E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3.39Å; T283-E286 PolarHBondContact O-N 3.2Å; E286-L288 PolarHBondContact O-N 3.36Å; E286-K289 PolarHBondContact O-N 2.84Å; E286-K289 VanDerWaalsContact O-N 3.14Å; E286-K289 IonicContact OE1-NZ 3.81Å; E286-K289 PolarHBondContact OE1-NZ 2.96Å; E286-I290 PolarHBondContact O-N 3.28Å
287V58.1Low56.2Low67 Ų6783.3 Ų83.341%0.40646%0.461SS..Hα-helixtrans-58.7-36.3174.3171.20000111.5E252 T283E252-V287 HydrophobicContact CG-CG1 3.9Å; T283-V287 VanDerWaalsContact O-CG2 3.25Å; T283-V287 WeakPolarHBondContact O-CG2 3.36Å; T283-V287 PolarHBondContact O-N 2.87Å; T283-V287 VanDerWaalsContact O-N 3.1Å
288L50.2Low53Low31 Ų3195.1 Ų95.116%0.16251%0.505CS..Hα-helixtrans-84-14.3179.7-69.6176.6000114.5Q114 F117 L284 N285 E286 I290Q114-L288 HydrophobicContact CG-CB 4.06Å; F117-L288 HydrophobicContact CB-CD1 3.87Å; F117-L288 HydrophobicContact CD1-CD1 3.3Å; F117-L288 HydrophobicContact CD1-CG 4.49Å; F117-L288 HydrophobicContact CD2-CD1 4.03Å; F117-L288 HydrophobicContact CE1-CD1 3.67Å; F117-L288 HydrophobicContact CE2-CD1 4.34Å; F117-L288 HydrophobicContact CG-CD1 3.47Å; F117-L288 VanDerWaalsContact CG-CD1 3.47Å; F117-L288 HydrophobicContact CZ-CD1 4.15Å; L284-L288 WeakPolarHBondContact O-CG 3.49Å; N285-L288 PolarHBondContact O-N 3.13Å; E286-L288 PolarHBondContact O-N 3.36Å; L288-I290 VanDerWaalsContact C-N 3.32Å
289K43.3Very low49.9Very low118 Ų118103.8 Ų103.851%0.51354%0.541SS..Hα-helixtrans-81.2-13.4173-75.4173.9-170.8171.20112.9N285 E286 P291N285-K289 WeakPolarHBondContact ND2-CE 3.38Å; N285-K289 PolarHBondContact ND2-NZ 3.21Å; N285-K289 WeakPolarHBondContact O-CG 3.4Å; N285-K289 PolarHBondContact O-N 2.92Å; E286-K289 PolarHBondContact O-N 2.84Å; E286-K289 VanDerWaalsContact O-N 3.14Å; E286-K289 IonicContact OE1-NZ 3.81Å; E286-K289 PolarHBondContact OE1-NZ 2.96Å; K289-P291 WeakPolarHBondContact O-CD 3.37Å
290I28.5Very low47Very low122 Ų122103.4 Ų103.463%0.62655%0.551SS**SBendtrans-99.7109.6172.8-56.1169.6000108E286 L288 G292E286-I290 PolarHBondContact O-N 3.28Å; L288-I290 VanDerWaalsContact C-N 3.32Å; I290-G292 PolarHBondContact O-N 3.09Å
291P24.7Very low44Very low130 Ų130107.4 Ų107.484%0.84458%0.576SS**  trans-78.6110.7166.1-0.818.9000108.4K289K289-P291 WeakPolarHBondContact O-CD 3.37Å
292G29.4Very low40.9Very low62 Ų62111.6 Ų111.664%0.63961%0.611SS**  trans131.777.5157.400000116.4I290I290-G292 PolarHBondContact O-N 3.09Å
293T23.3Very low38.4Very low132 Ų132116.2 Ų116.281%0.8163%0.632SS**  trans-86.1104.5146.5150000108.2T295T293-T295 PolarHBondContact O-N 3.24Å
294I24.8Very low35.7Very low157 Ų157121.5 Ų121.581%0.80565%0.651SS**  trans-61.6111.5166.3-65.1165.2000107.4G296I294-G296 VanDerWaalsContact C-N 3.29Å; I294-G296 PolarHBondContact O-N 2.77Å; I294-G296 VanDerWaalsContact O-N 3.14Å
295T26.6Very low33.1Very low150 Ų150130.5 Ų130.592%0.9269%0.693SS**  trans-79.484.916041.40000108.2T293T293-T295 PolarHBondContact O-N 3.24Å
296G24.2Very low30.7Very low54 Ų54135.1 Ų135.156%0.55773%0.726SS**  trans-133.5131.1172.600000108.7I294 R298I294-G296 VanDerWaalsContact C-N 3.29Å; I294-G296 PolarHBondContact O-N 2.77Å; I294-G296 VanDerWaalsContact O-N 3.14Å; G296-R298 PolarHBondContact O-N 2.83Å
297Q25.1Very low29Very low197 Ų197140 Ų14092%0.92175%0.746SS**  trans-48.6130.2-166.3-65.4177.6-21.100114.6K299Q297-K299 PolarHBondContact O-N 2.87Å
298R22Very low27.4Very low250 Ų250145.8 Ų145.894%0.94376%0.762SS**  trans-58.9114.3165.1-85.5179.4172.3169.6-3.1109.9G296G296-R298 PolarHBondContact O-N 2.83Å
299K23.7Very low26.3Very low200 Ų200149.9 Ų149.987%0.8779%0.79SS**  trans-132.8133.3141.2-85.5-170.6176.4179.10108.3Q297Q297-K299 PolarHBondContact O-N 2.87Å
300D26.1Very low25.6Very low145 Ų145149.8 Ų149.878%0.77579%0.787SS**  trans-50.6137.1-175.9-53.2-65.5000112.6
301N23Very low25.4Very low159 Ų159152.9 Ų152.985%0.8580%0.801SS**  174.9126.8128.8-83.3-23.9000111.9
302A23.7Very low25.7Very low92 Ų92150 Ų15076%0.7678%0.775SS**  trans47.3114.614900000120.9
303E32.3Very low25.7Very low191 Ų191152.1 Ų152.189%0.89378%0.78SS**  trans30.1103137.2-66.1178.3172.600118.4
304Q23Very low26.3Very low195 Ų195147.4 Ų147.491%0.91175%0.752SS**  trans-152.494.8146.8-113.1166.99.100109.9S306Q304-S306 PolarHBondContact O-N 3.02Å
305E24Very low26.7Very low193 Ų193144.2 Ų144.290%0.90274%0.739SS**  trans-61.2124.3167.6-70.4178.6147.200110.2
306S24.1Very low27.3Very low106 Ų106139.4 Ų139.474%0.74171%0.706SS**  trans-86.1117.8173.470.90000110.7Q304Q304-S306 PolarHBondContact O-N 3.02Å
307K28.2Very low27.7Very low189 Ų189145.8 Ų145.882%0.82272%0.719SS**  trans-70.7110.9-178.2-72.3170.9171.8175.50113.2
308Y25.2Very low28.2Very low189 Ų189138.5 Ų138.574%0.74169%0.688SS**  trans-146.294.7155.7-68.7-72.3000110.1W310Y308-W310 PolarHBondContact O-N 3.13Å
309P26.3Very low28.9Very low116 Ų116129.3 Ų129.375%0.75366%0.661SS**  trans-85.83.6-166.9-12.729.6000118M311P309-M311 PolarHBondContact O-N 3.47Å
310W28.4Very low29.8Very low117 Ų117123.4 Ų123.444%0.44364%0.639SS.*  trans-103.141.7-16157.1-84.9000115.8Y308 F312 E542Y308-W310 PolarHBondContact O-N 3.13Å; W310-F312 HydrophobicContact CB-CE2 4.12Å; W310-F312 HydrophobicContact CB-CZ 4.42Å; W310-E542 WeakPolarHBondContact CH2-OE1 3.45Å
311M24.8Very low30.5Very low186 Ų186117.2 Ų117.292%0.91661%0.607SS**  trans-94.193.5160-86.6-169.6-82.700109.6P309 S313P309-M311 PolarHBondContact O-N 3.47Å; M311-S313 PolarHBondContact O-N 3.13Å
312F31.9Very low31.3Very low71 Ų71117.2 Ų117.231%0.31160%0.602SS.*  trans-65.4122.5176-68.2-68.4000111.9W310 E499 R501W310-F312 HydrophobicContact CB-CE2 4.12Å; W310-F312 HydrophobicContact CB-CZ 4.42Å; F312-E499 WeakPolarHBondContact CE1-OE1 3.48Å; F312-E499 WeakPolarHBondContact CE1-OE2 3.3Å; F312-E499 WeakPolarHBondContact CZ-OE1 3.45Å; F312-E499 WeakPolarHBondContact CZ-OE2 3.5Å; F312-R501 VanDerWaalsContact CD2-NH1 3.29Å; F312-R501 VanDerWaalsContact CE1-CZ 3.46Å
313S29.5Very low32.3Very low106 Ų106115.7 Ų115.774%0.74158%0.579SS**  trans-136.3120.3155.8-82.60000108.7M311M311-S313 PolarHBondContact O-N 3.13Å
314P35Very low32.6Very low32 Ų32110 Ų11021%0.20856%0.56CS.*  trans-127.747.7141.438.8-27.6000108.9H316 Q440 W465P314-H316 PolarHBondContact O-N 3.43Å; P314-Q440 PolarHBondContact O-NE2 3.06Å; P314-W465 HydrophobicContact CG-CH2 4.22Å; P314-W465 HydrophobicContact CG-CZ2 4.06Å
315V34Very low33.1Very low90 Ų90110 Ų11055%0.54556%0.56SS.*  trans-66.892.9150.4-1790000104.4K317V315-K317 PolarHBondContact O-N 3.13Å
316H38.2Very low33.6Very low49 Ų49107 Ų10723%0.22756%0.555CS.*  trans-54.3105.5176.2-159.914.6000107.2P314 V318 D428 W432 F437P314-H316 PolarHBondContact O-N 3.43Å; H316-V318 VanDerWaalsContact C-N 3.31Å; H316-V318 PolarHBondContact O-N 2.91Å; H316-D428 IonicContact CD2-OD2 2.86Å; H316-D428 IonicContact NE2-OD2 3.51Å; H316-D428 PolarHBondContact NE2-OD2 3.43Å; H316-D428 VanDerWaalsContact NE2-OD2 3.1Å; H316-W432 HydrophobicContact CB-CH2 4.19Å; H316-W432 HydrophobicContact CB-CZ2 4.5Å; H316-W432 HydrophobicContact CB-CZ3 4.28Å; H316-F437 AromaticContact CD2-CE1 3.87Å; H316-F437 AromaticContact CD2-CZ 4Å
317K33.8Very low34Very low189 Ų189108 Ų10882%0.82255%0.55SS**  trans-73.392.9179.7-84.4-177.1179175.50106.9V315 S319V315-K317 PolarHBondContact O-N 3.13Å; K317-S319 PolarHBondContact O-N 3.1Å; K317-S319 VanDerWaalsContact O-N 3.15Å
318V35.3Very low34.3Very low44 Ų44103.7 Ų103.727%0.26754%0.544SS..  trans-69.3110.7-179.5-178.90000109.3H316 L320 Y399 L407H316-V318 VanDerWaalsContact C-N 3.31Å; H316-V318 PolarHBondContact O-N 2.91Å; V318-L320 HydrophobicContact CG1-CD2 3.92Å; V318-L320 HydrophobicContact CG1-CG 4.2Å; V318-L320 PolarHBondContact O-N 3.34Å; V318-Y399 HydrophobicContact CG1-CE2 4.43Å; V318-L407 HydrophobicContact CG1-CD1 3.92Å; V318-L407 HydrophobicContact CG2-CD1 4.29Å; V318-L407 HydrophobicContact CG2-CD2 3.8Å
319S37.1Very low34.9Very low56 Ų56102.4 Ų102.439%0.39255%0.55SS.*  trans-78.6105.9157.6-35.60000107.2K317 R397K317-S319 PolarHBondContact O-N 3.1Å; K317-S319 VanDerWaalsContact O-N 3.15Å; S319-R397 PolarHBondContact OG-NH1 2.77Å; S319-R397 PolarHBondContact OG-NH2 2.94Å
320L41.9Very low35.5Very low77 Ų77104 Ų10440%0.40355%0.553SS.*  trans-62.8162.7174.2-70.5167.2000110V318 E322V318-L320 HydrophobicContact CG1-CD2 3.92Å; V318-L320 HydrophobicContact CG1-CG 4.2Å; V318-L320 PolarHBondContact O-N 3.34Å; L320-E322 VanDerWaalsContact C-N 3.28Å; L320-E322 PolarHBondContact O-N 3.09Å
321P41.4Very low36.3Very low15 Ų15102.9 Ų102.910%0.09755%0.552CS.*  trans-58.697.3162.6-16.229.4000108.8M323 K366 F371 I404P321-M323 PolarHBondContact O-N 2.67Å; P321-K366 HydrophobicContact CB-CD 4.05Å; P321-F371 HydrophobicContact CB-CD1 4.48Å; P321-F371 HydrophobicContact CB-CE1 4.2Å; P321-I404 HydrophobicContact CG-CD1 3.85Å
322E38.8Very low37.5Very low159 Ų159102.2 Ų102.274%0.74355%0.546SS*.PPolyproline II helixtrans-59.2126.3167.7-75.4173.1-179.500107.7L320L320-E322 VanDerWaalsContact C-N 3.28Å; L320-E322 PolarHBondContact O-N 3.09Å
323M46.1Very low38.6Very low59 Ų59105 Ų10529%0.29157%0.565SS.*PPolyproline II helixtrans-67.3129.6166.8-62.8-61.7-74.800106.1P321 E325 L338 L341 A342 F371P321-M323 PolarHBondContact O-N 2.67Å; M323-E325 PolarHBondContact O-N 3.21Å; M323-E325 VanDerWaalsContact O-N 3.17Å; M323-L338 WeakPolarHBondContact CE-O 3.47Å; M323-L341 HydrophobicContact CE-CB 4.26Å; M323-A342 HydrophobicContact CE-CB 3.7Å; M323-F371 HydrophobicContact SD-CD1 3.59Å; M323-F371 VanDerWaalsContact SD-CD1 3.59Å; M323-F371 HydrophobicContact SD-CE1 4.1Å
324P37.9Very low39.9Very low73 Ų73103.3 Ų103.347%0.47454%0.544SS..PPolyproline II helixtrans-59.7122.4-172.320.1-29.9000111.5
325E34.1Very low41.1Very low195 Ų195104 Ų10491%0.91155%0.546SS*.SBendtrans-91.2-11.8176.3-73.6-170.7163.800113.4M323M323-E325 PolarHBondContact O-N 3.21Å; M323-E325 VanDerWaalsContact O-N 3.17Å
326T33.3Very low42.7Very low130 Ų130102.5 Ų102.580%0.79854%0.539SS*.SBendtrans-137.4124.8177.354.70000111.5
327L33Very low44.6Very low125 Ų125100.9 Ų100.965%0.65453%0.532SS*.  trans-98.3127.1-171.6-65.7159.2000110.2N335L327-N335 HydrophobicContact CD2-CB 4.21Å
328S34.2Very low46.7Very low99 Ų9992.4 Ų92.469%0.69250%0.496SS*.  trans-96.8139.8162.357.70000109.9D330S328-D330 PolarHBondContact O-N 3.36Å; S328-D330 VanDerWaalsContact O-N 3.07Å
329D37.6Very low48.6Very low162 Ų16292.3 Ų92.387%0.86650%0.497SS*.SBendtrans-69.51.4-154.7-88.3-33.4000119.1
330D38.3Very low50.7Low150 Ų15091 Ų9180%0.80249%0.485SS*.SBendtrans-99.921.4-168.7-78.7-21.9000116.2S328S328-D330 PolarHBondContact O-N 3.36Å; S328-D330 VanDerWaalsContact O-N 3.07Å
331Q46.2Very low52.6Low94 Ų9487.5 Ų87.544%0.43947%0.467SS..  trans-143.850.7-169.4-125.893.460.200116.2D333 K334 N335Q331-D333 PolarHBondContact O-N 3.39Å; Q331-K334 HydrophobicContact CG-CB 3.85Å; Q331-K334 HydrophobicContact CG-CD 3.73Å; Q331-K334 HydrophobicContact CG-CG 4.05Å; Q331-K334 PolarHBondContact O-N 2.86Å; Q331-N335 VanDerWaalsContact O-CB 3.24Å; Q331-N335 WeakPolarHBondContact O-CB 3.31Å; Q331-N335 PolarHBondContact O-N 2.92Å; Q331-N335 VanDerWaalsContact O-N 3.1Å; Q331-N335 PolarHBondContact O-ND2 3.15Å; Q331-N335 VanDerWaalsContact O-ND2 3.12Å
332H50.7Low54.2Low171 Ų17189.5 Ų89.579%0.79249%0.485SS*.Hα-helixtrans-58.1-36.7-169-146.1-72.7000115.9
333D54.1Low56.1Low130 Ų13089.9 Ų89.970%0.69548%0.484SS*.Hα-helixtrans-83.9-41-179-70.8-28.1000113.7Q331 N335 S336Q331-D333 PolarHBondContact O-N 3.39Å; D333-N335 VanDerWaalsContact C-N 3.27Å; D333-N335 PolarHBondContact O-N 3.34Å; D333-S336 PolarHBondContact O-N 2.79Å
334K56.6Low57.8Low70 Ų7094.1 Ų94.130%0.30450%0.501SS..Hα-helixtrans-63.8-34.4176.5-65.8-170.6-175.6174.20112Q331 M360 F362Q331-K334 HydrophobicContact CG-CB 3.85Å; Q331-K334 HydrophobicContact CG-CD 3.73Å; Q331-K334 HydrophobicContact CG-CG 4.05Å; Q331-K334 PolarHBondContact O-N 2.86Å; K334-M360 HydrophobicContact CD-SD 4.46Å; K334-M360 HydrophobicContact CG-CE 4.49Å; K334-M360 HydrophobicContact CG-SD 3.92Å; K334-F362 HydrophobicContact CB-CE1 4.16Å
335N59.5Low60Low48 Ų4893.7 Ų93.726%0.25750%0.495SS..Hα-helixtrans-74-30.1179.8-68.6-13.8000112.2L327 Q331 D333 S339L327-N335 HydrophobicContact CD2-CB 4.21Å; Q331-N335 VanDerWaalsContact O-CB 3.24Å; Q331-N335 WeakPolarHBondContact O-CB 3.31Å; Q331-N335 PolarHBondContact O-N 2.92Å; Q331-N335 VanDerWaalsContact O-N 3.1Å; Q331-N335 PolarHBondContact O-ND2 3.15Å; Q331-N335 VanDerWaalsContact O-ND2 3.12Å; D333-N335 VanDerWaalsContact C-N 3.27Å; D333-N335 PolarHBondContact O-N 3.34Å; N335-S339 VanDerWaalsContact O-CB 3.25Å; N335-S339 WeakPolarHBondContact O-CB 3.37Å; N335-S339 PolarHBondContact O-N 3.48Å
336S68.3Low62.6Low57 Ų5786.4 Ų86.440%0.39946%0.46SS..Hα-helixtrans-64.7-49.4178.5-172.20000111.7D333 L338 S339 M340D333-S336 PolarHBondContact O-N 2.79Å; S336-L338 PolarHBondContact O-N 3.3Å; S336-S339 PolarHBondContact O-N 3.29Å; S336-S339 PolarHBondContact O-OG 2.8Å; S336-M340 WeakPolarHBondContact O-CG 3.4Å; S336-M340 PolarHBondContact O-N 3.49Å
337I78.4Confident65.1Low15 Ų1583.5 Ų83.58%0.07745%0.445CS..Hα-helixtrans-62.6-45.8-178-63.7175.8000112.1S339 M340 L341 F349 V353 D357 L368I337-S339 VanDerWaalsContact C-N 3.33Å; I337-S339 PolarHBondContact O-N 3.34Å; I337-M340 HydrophobicContact CB-CE 4.41Å; I337-M340 HydrophobicContact CG1-CE 4.09Å; I337-M340 PolarHBondContact O-N 3.27Å; I337-L341 PolarHBondContact O-N 3.23Å; I337-F349 HydrophobicContact CG2-CD2 3.85Å; I337-F349 HydrophobicContact CG2-CE2 3.42Å; I337-F349 VanDerWaalsContact CG2-CE2 3.42Å; I337-V353 HydrophobicContact CD1-CG2 4.47Å; I337-V353 HydrophobicContact CG2-CG2 3.88Å; I337-D357 HydrophobicContact CD1-CB 4.25Å; I337-L368 HydrophobicContact CG2-CD1 3.91Å
338L77.4Confident67.5Low12 Ų1279.7 Ų79.76%0.06343%0.429CS..Hα-helixtrans-67.6-33.7176.9-67.5-177.5000112.3M323 S336 M340 L341 A342 F362 F371M323-L338 WeakPolarHBondContact CE-O 3.47Å; S336-L338 PolarHBondContact O-N 3.3Å; L338-M340 VanDerWaalsContact C-N 3.31Å; L338-M340 PolarHBondContact O-N 3.35Å; L338-L341 HydrophobicContact CD2-CD1 4.43Å; L338-L341 PolarHBondContact O-N 2.76Å; L338-A342 PolarHBondContact O-N 3.18Å; L338-F362 HydrophobicContact CD1-CD1 3.6Å; L338-F362 HydrophobicContact CD1-CE1 3.55Å; L338-F362 HydrophobicContact CD1-CG 4.37Å; L338-F362 HydrophobicContact CD1-CZ 4.31Å; L338-F362 HydrophobicContact CD2-CE1 4.34Å; L338-F362 HydrophobicContact CD2-CZ 4.3Å; L338-F362 HydrophobicContact CG-CD1 4.41Å; L338-F362 HydrophobicContact CG-CE1 3.89Å; L338-F362 HydrophobicContact CG-CZ 4.27Å; L338-F371 HydrophobicContact CD1-CE2 4.28Å; L338-F371 HydrophobicContact CD1-CZ 4.38Å; L338-F371 HydrophobicContact CD2-CB 3.79Å; L338-F371 HydrophobicContact CD2-CD1 4.19Å; L338-F371 HydrophobicContact CD2-CD2 3.59Å; L338-F371 HydrophobicContact CD2-CE2 4.14Å; L338-F371 HydrophobicContact CD2-CG 3.6Å
339S75.6Confident70.1Confident41 Ų4175 Ų7529%0.28740%0.396SS..Hα-helixtrans-65.2-34.917583.10000112.3N335 S336 I337 A342 K343N335-S339 VanDerWaalsContact O-CB 3.25Å; N335-S339 WeakPolarHBondContact O-CB 3.37Å; N335-S339 PolarHBondContact O-N 3.48Å; S336-S339 PolarHBondContact O-N 3.29Å; S336-S339 PolarHBondContact O-OG 2.8Å; I337-S339 VanDerWaalsContact C-N 3.33Å; I337-S339 PolarHBondContact O-N 3.34Å; S339-A342 PolarHBondContact O-N 3.01Å; S339-K343 WeakPolarHBondContact O-CB 3.46Å; S339-K343 VanDerWaalsContact O-CG 3.26Å; S339-K343 WeakPolarHBondContact O-CG 3.08Å; S339-K343 PolarHBondContact O-N 2.72Å
340M80.6Confident72.4Confident28 Ų2870.7 Ų70.714%0.13837%0.368CS..Hα-helixtrans-65.7-42.2176-71.1-174.9-80.400111.3S336 I337 L338 K343 K344 D345 F349 S352S336-M340 WeakPolarHBondContact O-CG 3.4Å; S336-M340 PolarHBondContact O-N 3.49Å; I337-M340 HydrophobicContact CB-CE 4.41Å; I337-M340 HydrophobicContact CG1-CE 4.09Å; I337-M340 PolarHBondContact O-N 3.27Å; L338-M340 VanDerWaalsContact C-N 3.31Å; L338-M340 PolarHBondContact O-N 3.35Å; M340-K343 PolarHBondContact O-N 3.37Å; M340-K344 PolarHBondContact O-N 3.48Å; M340-K344 VanDerWaalsContact O-N 3.13Å; M340-D345 PolarHBondContact O-N 3.38Å; M340-F349 HydrophobicContact CB-CB 4.24Å; M340-S352 WeakPolarHBondContact CE-OG 3.29Å
341L81.4Confident74.6Confident4 Ų471.5 Ų71.52%0.02137%0.367CS..Hα-helixtrans-63.8-43172.9-70.1173.6000112.4M323 I337 L338 K343 K344 F346 F349 L368 F371 T372M323-L341 HydrophobicContact CE-CB 4.26Å; I337-L341 PolarHBondContact O-N 3.23Å; L338-L341 HydrophobicContact CD2-CD1 4.43Å; L338-L341 PolarHBondContact O-N 2.76Å; L341-K343 VanDerWaalsContact C-N 3.34Å; L341-K343 PolarHBondContact O-N 3.3Å; L341-K344 PolarHBondContact O-N 3.38Å; L341-K344 VanDerWaalsContact O-N 3.13Å; L341-F346 HydrophobicContact CD2-CD1 4.46Å; L341-F349 HydrophobicContact CD1-CD2 4.16Å; L341-F349 HydrophobicContact CD1-CE2 3.52Å; L341-F349 HydrophobicContact CD1-CZ 3.95Å; L341-F349 HydrophobicContact CD2-CD1 3.95Å; L341-F349 HydrophobicContact CD2-CD2 3.66Å; L341-F349 HydrophobicContact CD2-CE1 3.98Å; L341-F349 HydrophobicContact CD2-CE2 3.64Å; L341-F349 HydrophobicContact CD2-CG 3.81Å; L341-F349 HydrophobicContact CD2-CZ 3.83Å; L341-F349 HydrophobicContact CG-CD2 3.55Å; L341-F349 HydrophobicContact CG-CE2 3.45Å; L341-F349 VanDerWaalsContact CG-CE2 3.45Å; L341-F349 HydrophobicContact CG-CG 4.21Å; L341-F349 HydrophobicContact CG-CZ 4.07Å; L341-L368 HydrophobicContact CD1-CD1 4.4Å; L341-F371 HydrophobicContact CD1-CB 4.1Å; L341-T372 HydrophobicContact CD1-CG2 3.7Å; L341-T372 HydrophobicContact CD2-CG2 4.04Å
342A76.4Confident76.3Confident58 Ų5869 Ų6948%0.47936%0.36SS..Hα-helixtrans-62.7-40177.800000112.3M323 L338 S339 K344M323-A342 HydrophobicContact CE-CB 3.7Å; L338-A342 PolarHBondContact O-N 3.18Å; S339-A342 PolarHBondContact O-N 3.01Å; A342-K344 PolarHBondContact O-N 3.47Å
343K78.6Confident77.9Confident166 Ų16661.2 Ų61.272%0.72232%0.324SS*.THydrogen-bonded Turntrans-78.8-1.5177-68.9173.7-177.9174.50113.5S339 M340 L341 D345S339-K343 WeakPolarHBondContact O-CB 3.46Å; S339-K343 VanDerWaalsContact O-CG 3.26Å; S339-K343 WeakPolarHBondContact O-CG 3.08Å; S339-K343 PolarHBondContact O-N 2.72Å; M340-K343 PolarHBondContact O-N 3.37Å; L341-K343 VanDerWaalsContact C-N 3.34Å; L341-K343 PolarHBondContact O-N 3.3Å; K343-D345 PolarHBondContact O-N 2.82Å
344K81.7Confident79.3Confident148 Ų14861.8 Ų61.864%0.64332%0.32SS*.THydrogen-bonded Turntrans5829.3-175.3-57.7-172.3174.1-170.70114.1M340 L341 A342 F346M340-K344 PolarHBondContact O-N 3.48Å; M340-K344 VanDerWaalsContact O-N 3.13Å; L341-K344 PolarHBondContact O-N 3.38Å; L341-K344 VanDerWaalsContact O-N 3.13Å; A342-K344 PolarHBondContact O-N 3.47Å; K344-F346 VanDerWaalsContact C-N 3.31Å; K344-F346 HydrophobicContact CB-CE1 4.36Å; K344-F346 HydrophobicContact CB-CE2 3.85Å; K344-F346 HydrophobicContact CB-CZ 3.7Å; K344-F346 HydrophobicContact CD-CZ 4.43Å; K344-F346 HydrophobicContact CG-CE2 4.43Å; K344-F346 HydrophobicContact CG-CZ 3.91Å; K344-F346 WeakPolarHBondContact O-CD2 3.37Å; K344-F346 PolarHBondContact O-N 2.95Å; K344-F346 VanDerWaalsContact O-N 3.13Å
345D84.9Confident80.2Confident65 Ų6560.1 Ų60.135%0.34832%0.323SS..  trans-86.474.3172.7-173.71.3000110.4M340 K343 S347 S348 F349M340-D345 PolarHBondContact O-N 3.38Å; K343-D345 PolarHBondContact O-N 2.82Å; D345-S347 VanDerWaalsContact C-N 3.3Å; D345-S347 PolarHBondContact O-N 3.43Å; D345-S348 VanDerWaalsContact CG-CB 3.49Å; D345-S348 PolarHBondContact OD1-N 3.05Å; D345-S348 PolarHBondContact OD1-OG 2.68Å; D345-S348 VanDerWaalsContact OD1-OG 3.09Å; D345-S348 WeakPolarHBondContact OD2-CB 3.43Å; D345-S348 PolarHBondContact OD2-OG 2.86Å; D345-F349 VanDerWaalsContact O-CB 3.26Å; D345-F349 WeakPolarHBondContact O-CB 3.44Å; D345-F349 PolarHBondContact O-N 2.85Å; D345-F349 VanDerWaalsContact O-N 3.1Å
346F88.1Confident81Confident42 Ų4264.7 Ų64.718%0.18435%0.347CS..Hα-helixtrans-71.1-25.6-174.7-51.9-58.5000113.2L341 K344 R350 D377L341-F346 HydrophobicContact CD2-CD1 4.46Å; K344-F346 VanDerWaalsContact C-N 3.31Å; K344-F346 HydrophobicContact CB-CE1 4.36Å; K344-F346 HydrophobicContact CB-CE2 3.85Å; K344-F346 HydrophobicContact CB-CZ 3.7Å; K344-F346 HydrophobicContact CD-CZ 4.43Å; K344-F346 HydrophobicContact CG-CE2 4.43Å; K344-F346 HydrophobicContact CG-CZ 3.91Å; K344-F346 WeakPolarHBondContact O-CD2 3.37Å; K344-F346 PolarHBondContact O-N 2.95Å; K344-F346 VanDerWaalsContact O-N 3.13Å; F346-R350 WeakPolarHBondContact O-CB 3.46Å; F346-R350 WeakPolarHBondContact O-CG 3.5Å; F346-R350 VanDerWaalsContact O-CZ 3.27Å; F346-R350 PolarHBondContact O-N 2.82Å; F346-R350 PolarHBondContact O-NE 3.24Å; F346-D377 HydrophobicContact CD1-CB 3.63Å; F346-D377 HydrophobicContact CD2-CB 4.09Å; F346-D377 HydrophobicContact CE1-CB 3.6Å; F346-D377 HydrophobicContact CE2-CB 4.05Å; F346-D377 HydrophobicContact CG-CB 3.88Å; F346-D377 HydrophobicContact CZ-CB 3.81Å
347S84.9Confident81.4Confident69 Ų6963.2 Ų63.248%0.48334%0.335SS..Hα-helixtrans-71.4-48.9-179.8-64.20000111.2D345 F349 R350 Q351D345-S347 VanDerWaalsContact C-N 3.3Å; D345-S347 PolarHBondContact O-N 3.43Å; S347-F349 VanDerWaalsContact C-N 3.34Å; S347-R350 PolarHBondContact O-N 3.37Å; S347-R350 PolarHBondContact OG-NH2 3.16Å; S347-Q351 WeakPolarHBondContact O-CG 3.26Å; S347-Q351 PolarHBondContact O-N 2.74Å
348S83.6Confident81.4Confident45 Ų4563.2 Ų63.232%0.31534%0.335SS..Hα-helixtrans-66.8-39.1175.3-53.20000111.1D345 R350 Q351 S352D345-S348 VanDerWaalsContact CG-CB 3.49Å; D345-S348 PolarHBondContact OD1-N 3.05Å; D345-S348 PolarHBondContact OD1-OG 2.68Å; D345-S348 VanDerWaalsContact OD1-OG 3.09Å; D345-S348 WeakPolarHBondContact OD2-CB 3.43Å; D345-S348 PolarHBondContact OD2-OG 2.86Å; S348-R350 PolarHBondContact O-N 3.07Å; S348-Q351 PolarHBondContact O-N 3.1Å; S348-S352 WeakPolarHBondContact O-CB 3.4Å; S348-S352 PolarHBondContact O-N 2.67Å; S348-S352 PolarHBondContact O-OG 2.95Å
349F88.3Confident81.3Confident0 Ų067.9 Ų67.90%037%0.368CS..Hα-helixtrans-53.4-55174.4175.3-96.8000111.6I337 M340 L341 D345 S347 Q351 S352 V353 L368 T372 V384I337-F349 HydrophobicContact CG2-CD2 3.85Å; I337-F349 HydrophobicContact CG2-CE2 3.42Å; I337-F349 VanDerWaalsContact CG2-CE2 3.42Å; M340-F349 HydrophobicContact CB-CB 4.24Å; L341-F349 HydrophobicContact CD1-CD2 4.16Å; L341-F349 HydrophobicContact CD1-CE2 3.52Å; L341-F349 HydrophobicContact CD1-CZ 3.95Å; L341-F349 HydrophobicContact CD2-CD1 3.95Å; L341-F349 HydrophobicContact CD2-CD2 3.66Å; L341-F349 HydrophobicContact CD2-CE1 3.98Å; L341-F349 HydrophobicContact CD2-CE2 3.64Å; L341-F349 HydrophobicContact CD2-CG 3.81Å; L341-F349 HydrophobicContact CD2-CZ 3.83Å; L341-F349 HydrophobicContact CG-CD2 3.55Å; L341-F349 HydrophobicContact CG-CE2 3.45Å; L341-F349 VanDerWaalsContact CG-CE2 3.45Å; L341-F349 HydrophobicContact CG-CG 4.21Å; L341-F349 HydrophobicContact CG-CZ 4.07Å; D345-F349 VanDerWaalsContact O-CB 3.26Å; D345-F349 WeakPolarHBondContact O-CB 3.44Å; D345-F349 PolarHBondContact O-N 2.85Å; D345-F349 VanDerWaalsContact O-N 3.1Å; S347-F349 VanDerWaalsContact C-N 3.34Å; F349-Q351 PolarHBondContact O-N 3.28Å; F349-S352 PolarHBondContact O-N 2.76Å; F349-S352 VanDerWaalsContact O-N 3.08Å; F349-S352 PolarHBondContact O-OG 3.13Å; F349-V353 HydrophobicContact CD1-CG2 4.4Å; F349-V353 HydrophobicContact CD2-CG2 3.86Å; F349-V353 HydrophobicContact CE1-CG2 4.06Å; F349-V353 HydrophobicContact CE2-CG2 3.5Å; F349-V353 HydrophobicContact CG-CG2 4.29Å; F349-V353 HydrophobicContact CZ-CG2 3.59Å; F349-V353 WeakPolarHBondContact O-CG2 3.32Å; F349-V353 PolarHBondContact O-N 2.91Å; F349-V353 VanDerWaalsContact O-N 3.11Å; F349-L368 HydrophobicContact CE2-CD1 4.22Å; F349-L368 HydrophobicContact CZ-CD1 4.31Å; F349-T372 HydrophobicContact CE1-CG2 3.72Å; F349-T372 HydrophobicContact CE2-CG2 4.18Å; F349-T372 HydrophobicContact CZ-CG2 3.27Å; F349-V384 HydrophobicContact CE1-CG2 4Å; F349-V384 HydrophobicContact CZ-CG2 4.01Å
350R87.8Confident81.3Confident72 Ų7267.9 Ų67.927%0.27236%0.364SS..Hα-helixtrans-62.9-25-180-72.5-178-63.6-100.5-1114.2F346 S347 S348 D377 S380 H383F346-R350 WeakPolarHBondContact O-CB 3.46Å; F346-R350 WeakPolarHBondContact O-CG 3.5Å; F346-R350 VanDerWaalsContact O-CZ 3.27Å; F346-R350 PolarHBondContact O-N 2.82Å; F346-R350 PolarHBondContact O-NE 3.24Å; S347-R350 PolarHBondContact O-N 3.37Å; S347-R350 PolarHBondContact OG-NH2 3.16Å; S348-R350 PolarHBondContact O-N 3.07Å; R350-D377 IonicContact NH1-OD2 2.66Å; R350-D377 PolarHBondContact NH1-OD2 3.11Å; R350-S380 PolarHBondContact NH1-OG 3.13Å; R350-H383 HydrophobicContact CG-CB 4.28Å; R350-H383 PolarHBondContact O-NE2 3.38Å; R350-H383 VanDerWaalsContact O-NE2 3.17Å
351Q83.6Confident80.8Confident167 Ų16773.4 Ų73.478%0.7839%0.389SS*.Hα-helixtrans-81.9-28.7175.4-69.9177.48.600112.6S347 S348 F349S347-Q351 WeakPolarHBondContact O-CG 3.26Å; S347-Q351 PolarHBondContact O-N 2.74Å; S348-Q351 PolarHBondContact O-N 3.1Å; F349-Q351 PolarHBondContact O-N 3.28Å
352S82.4Confident80.6Confident42 Ų4274.5 Ų74.529%0.29439%0.394SS..Hα-helixtrans-85.5-33.5-174.869.10000114.2M340 S348 F349M340-S352 WeakPolarHBondContact CE-OG 3.29Å; S348-S352 WeakPolarHBondContact O-CB 3.4Å; S348-S352 PolarHBondContact O-N 2.67Å; S348-S352 PolarHBondContact O-OG 2.95Å; F349-S352 PolarHBondContact O-N 2.76Å; F349-S352 VanDerWaalsContact O-N 3.08Å; F349-S352 PolarHBondContact O-OG 3.13Å
353V84.4Confident80.4Confident7 Ų776.4 Ų76.44%0.04240%0.404CS..  trans-77.2129-173.3174.50000110.6I337 F349 D357 L368 V384 L387I337-V353 HydrophobicContact CD1-CG2 4.47Å; I337-V353 HydrophobicContact CG2-CG2 3.88Å; F349-V353 HydrophobicContact CD1-CG2 4.4Å; F349-V353 HydrophobicContact CD2-CG2 3.86Å; F349-V353 HydrophobicContact CE1-CG2 4.06Å; F349-V353 HydrophobicContact CE2-CG2 3.5Å; F349-V353 HydrophobicContact CG-CG2 4.29Å; F349-V353 HydrophobicContact CZ-CG2 3.59Å; F349-V353 WeakPolarHBondContact O-CG2 3.32Å; F349-V353 PolarHBondContact O-N 2.91Å; F349-V353 VanDerWaalsContact O-N 3.11Å; V353-D357 HydrophobicContact CG1-CB 4.28Å; V353-L368 HydrophobicContact CG1-CD2 3.86Å; V353-L368 HydrophobicContact CG2-CD2 4.45Å; V353-V384 HydrophobicContact CG1-CG2 4.32Å; V353-L387 HydrophobicContact CG1-CD1 3.84Å
354K82.5Confident79.7Confident142 Ų14270.6 Ų70.662%0.61739%0.391SS*.  trans-117.4170.4177.1-60.3179.2-174.2173.50110.9D356 D357K354-D356 VanDerWaalsContact C-N 3.25Å; K354-D356 PolarHBondContact O-N 3.07Å; K354-D357 PolarHBondContact N-OD2 3.25Å; K354-D357 WeakPolarHBondContact O-CB 3.36Å; K354-D357 PolarHBondContact O-N 3.19Å
355G76.3Confident79.5Confident35 Ų3568.2 Ų68.236%0.36139%0.385SS..Hα-helixtrans-54.1-38.6-18000000113.9D357 V358G355-D357 VanDerWaalsContact C-N 3.28Å; G355-D357 PolarHBondContact O-N 3.18Å; G355-V358 WeakPolarHBondContact O-CB 3.15Å; G355-V358 PolarHBondContact O-N 2.94Å
356D75.4Confident79.3Confident143 Ų14366.9 Ų66.977%0.76538%0.376SS*.Hα-helixtrans-67-28.1179.4-60.5-29.5000113K354 V358K354-D356 VanDerWaalsContact C-N 3.25Å; K354-D356 PolarHBondContact O-N 3.07Å; D356-V358 VanDerWaalsContact C-N 3.26Å; D356-V358 PolarHBondContact O-N 2.83Å
357D77.9Confident79.2Confident27 Ų2765.7 Ų65.714%0.14437%0.373CS..Hα-helixtrans-73.3-21.3-178.6-58.1-45.1000112.4I337 V353 K354 G355 C359 M360 L368I337-D357 HydrophobicContact CD1-CB 4.25Å; V353-D357 HydrophobicContact CG1-CB 4.28Å; K354-D357 PolarHBondContact N-OD2 3.25Å; K354-D357 WeakPolarHBondContact O-CB 3.36Å; K354-D357 PolarHBondContact O-N 3.19Å; G355-D357 VanDerWaalsContact C-N 3.28Å; G355-D357 PolarHBondContact O-N 3.18Å; D357-C359 VanDerWaalsContact C-N 3.31Å; D357-C359 PolarHBondContact O-N 2.92Å; D357-M360 HydrophobicContact CB-CE 4.2Å; D357-M360 HydrophobicContact CB-SD 4.41Å; D357-M360 VanDerWaalsContact O-CB 3.3Å; D357-M360 WeakPolarHBondContact O-CB 3.39Å; D357-M360 VanDerWaalsContact O-CG 3.28Å; D357-M360 WeakPolarHBondContact O-CG 3.38Å; D357-M360 PolarHBondContact O-N 3.01Å; D357-M360 WeakPolarHBondContact OD1-CE 3.5Å; D357-L368 HydrophobicContact CB-CD2 4.47Å
358V78.6Confident79.4Confident14 Ų1462.5 Ų62.59%0.08535%0.35CS..Hα-helixtrans-71.2-29.5-177.5-176.70000112G355 D356 M360 V384 L387 A389G355-V358 WeakPolarHBondContact O-CB 3.15Å; G355-V358 PolarHBondContact O-N 2.94Å; D356-V358 VanDerWaalsContact C-N 3.26Å; D356-V358 PolarHBondContact O-N 2.83Å; V358-M360 PolarHBondContact O-N 3.28Å; V358-V384 HydrophobicContact CG1-CG1 4.3Å; V358-V384 HydrophobicContact CG2-CG1 4.48Å; V358-L387 HydrophobicContact CG2-CB 3.69Å; V358-L387 HydrophobicContact CG2-CD1 4.24Å; V358-A389 HydrophobicContact CG1-CB 3.26Å
359C74.8Confident79.7Confident110 Ų11060.4 Ų60.474%0.74334%0.336SS*.THydrogen-bonded Turntrans-79.8-1.3176.8-66.70000113.2D357 Q361D357-C359 VanDerWaalsContact C-N 3.31Å; D357-C359 PolarHBondContact O-N 2.92Å; C359-Q361 PolarHBondContact O-N 3.32Å
360M75.9Confident79.7Confident41 Ų4160.4 Ų60.420%0.20234%0.336CS..  trans-66.2127179.7-68.5-174.4-179.900111.5K334 D357 V358 F362K334-M360 HydrophobicContact CD-SD 4.46Å; K334-M360 HydrophobicContact CG-CE 4.49Å; K334-M360 HydrophobicContact CG-SD 3.92Å; D357-M360 HydrophobicContact CB-CE 4.2Å; D357-M360 HydrophobicContact CB-SD 4.41Å; D357-M360 VanDerWaalsContact O-CB 3.3Å; D357-M360 WeakPolarHBondContact O-CB 3.39Å; D357-M360 VanDerWaalsContact O-CG 3.28Å; D357-M360 WeakPolarHBondContact O-CG 3.38Å; D357-M360 PolarHBondContact O-N 3.01Å; D357-M360 WeakPolarHBondContact OD1-CE 3.5Å; V358-M360 PolarHBondContact O-N 3.28Å; M360-F362 HydrophobicContact CB-CE2 3.88Å; M360-F362 HydrophobicContact CB-CZ 3.98Å; M360-F362 HydrophobicContact SD-CZ 4.39Å
361Q68.9Low79.6Confident144 Ų14457.2 Ų57.267%0.67332%0.324SS*.EExtended strand (participates in β ladder)trans-98.4133.9168.2-65.2-172.9-8.600110.2C359C359-Q361 PolarHBondContact O-N 3.32Å
362F77.4Confident79.9Confident28 Ų2849.2 Ų49.212%0.12329%0.287CS..EExtended strand (participates in β ladder)trans-111.6174.3179.1-58.6-90.1000110.5K334 L338 M360 G364 N365 K366 L368 F371K334-F362 HydrophobicContact CB-CE1 4.16Å; L338-F362 HydrophobicContact CD1-CD1 3.6Å; L338-F362 HydrophobicContact CD1-CE1 3.55Å; L338-F362 HydrophobicContact CD1-CG 4.37Å; L338-F362 HydrophobicContact CD1-CZ 4.31Å; L338-F362 HydrophobicContact CD2-CE1 4.34Å; L338-F362 HydrophobicContact CD2-CZ 4.3Å; L338-F362 HydrophobicContact CG-CD1 4.41Å; L338-F362 HydrophobicContact CG-CE1 3.89Å; L338-F362 HydrophobicContact CG-CZ 4.27Å; M360-F362 HydrophobicContact CB-CE2 3.88Å; M360-F362 HydrophobicContact CB-CZ 3.98Å; M360-F362 HydrophobicContact SD-CZ 4.39Å; F362-G364 PolarHBondContact O-N 2.85Å; F362-N365 PolarHBondContact O-N 3.31Å; F362-K366 HydrophobicContact CB-CB 4.34Å; F362-K366 WeakPolarHBondContact CB-O 3.5Å; F362-K366 WeakPolarHBondContact CD2-O 3.44Å; F362-K366 PolarHBondContact N-O 3.23Å; F362-K366 PolarHBondContact O-N 3.48Å; F362-L368 HydrophobicContact CE2-CB 4.14Å; F362-L368 HydrophobicContact CE2-CD1 4.5Å; F362-F371 HydrophobicContact CB-CE2 3.77Å; F362-F371 HydrophobicContact CB-CZ 4.38Å; F362-F371 HydrophobicContact CD2-CD2 4.14Å; F362-F371 AromaticContact CD2-CE2 3.85Å; F362-F371 HydrophobicContact CD2-CE2 3.85Å; F362-F371 HydrophobicContact CG-CD2 4.47Å; F362-F371 AromaticContact CG-CE2 3.8Å; F362-F371 HydrophobicContact CG-CE2 3.8Å
363S71.9Confident80.2Confident98 Ų9847.2 Ų47.269%0.68527%0.273SS*.THydrogen-bonded Turntrans-51.6133.2-177.959.20000112.5K366S363-K366 WeakPolarHBondContact O-CD 3.5Å; S363-K366 WeakPolarHBondContact O-CG 3.31Å
364G64Low80.2Confident43 Ų4348.5 Ų48.544%0.44328%0.284SS..THydrogen-bonded Turntrans71.634.1-176.300000114.4F362 K366 A396F362-G364 PolarHBondContact O-N 2.85Å; G364-K366 PolarHBondContact O-N 3.05Å; G364-K366 VanDerWaalsContact O-N 3.14Å; G364-A396 WeakPolarHBondContact O-CB 3.36Å; G364-A396 PolarHBondContact O-N 2.81Å
365N78.4Confident80.3Confident98 Ų9843 Ų4352%0.52426%0.264SS..THydrogen-bonded Turntrans54.128.3-179.2-64.8-0.7000113.9F362 A396F362-N365 PolarHBondContact O-N 3.31Å; N365-A396 HydrophobicContact CB-CB 4.41Å
366K80.4Confident80.8Confident38 Ų3842.8 Ų42.817%0.16526%0.261CS..EExtended strand (participates in β ladder)trans-77.4133.9176.3-64.5170.8-177.8170.50108.5P321 F362 S363 G364 F371 T395P321-K366 HydrophobicContact CB-CD 4.05Å; F362-K366 HydrophobicContact CB-CB 4.34Å; F362-K366 WeakPolarHBondContact CB-O 3.5Å; F362-K366 WeakPolarHBondContact CD2-O 3.44Å; F362-K366 PolarHBondContact N-O 3.23Å; F362-K366 PolarHBondContact O-N 3.48Å; S363-K366 WeakPolarHBondContact O-CD 3.5Å; S363-K366 WeakPolarHBondContact O-CG 3.31Å; G364-K366 PolarHBondContact O-N 3.05Å; G364-K366 VanDerWaalsContact O-N 3.14Å; K366-F371 HydrophobicContact CB-CD2 4.45Å; K366-F371 HydrophobicContact CB-CE2 3.65Å; K366-F371 HydrophobicContact CB-CZ 3.99Å; K366-F371 HydrophobicContact CD-CE1 4.12Å; K366-F371 HydrophobicContact CD-CE2 4.1Å; K366-F371 HydrophobicContact CD-CZ 3.53Å; K366-F371 HydrophobicContact CG-CZ 4.42Å; K366-T395 HydrophobicContact CG-CG2 3.97Å
367S86.6Confident81.5Confident16 Ų1637.4 Ų37.411%0.11223%0.232CC..EExtended strand (participates in β ladder)trans-93.1165.8171.473.40000111.2L369 H370 F371 C393S367-L369 PolarHBondContact O-N 3.27Å; S367-L369 PolarHBondContact OG-N 2.76Å; S367-H370 PolarHBondContact N-ND1 2.98Å; S367-H370 VanDerWaalsContact N-ND1 3.13Å; S367-H370 WeakPolarHBondContact O-CB 3.48Å; S367-H370 PolarHBondContact O-N 3.09Å; S367-H370 PolarHBondContact OG-N 2.87Å; S367-H370 PolarHBondContact OG-ND1 3.14Å; S367-F371 WeakPolarHBondContact O-CD2 3.32Å; S367-C393 PolarHBondContact OG-SG 2.95Å
368L87.5Confident82.2Confident2 Ų237.4 Ų37.41%0.0124%0.236CC..Hα-helixtrans-55.8-34.3172.2-175.260.8000112.1I337 L341 F349 V353 D357 F362 H370 F371 T372 V384I337-L368 HydrophobicContact CG2-CD1 3.91Å; L341-L368 HydrophobicContact CD1-CD1 4.4Å; F349-L368 HydrophobicContact CE2-CD1 4.22Å; F349-L368 HydrophobicContact CZ-CD1 4.31Å; V353-L368 HydrophobicContact CG1-CD2 3.86Å; V353-L368 HydrophobicContact CG2-CD2 4.45Å; D357-L368 HydrophobicContact CB-CD2 4.47Å; F362-L368 HydrophobicContact CE2-CB 4.14Å; F362-L368 HydrophobicContact CE2-CD1 4.5Å; L368-H370 VanDerWaalsContact C-N 3.32Å; L368-H370 PolarHBondContact O-N 3.44Å; L368-F371 PolarHBondContact O-N 3.32Å; L368-T372 HydrophobicContact CG-CG2 4.43Å; L368-T372 WeakPolarHBondContact O-CG2 3.33Å; L368-T372 PolarHBondContact O-N 2.93Å; L368-T372 PolarHBondContact O-OG1 3.44Å; L368-V384 HydrophobicContact CD2-CG2 4.35Å
369L90.6Very high82.9Confident2 Ų242 Ų421%0.0126%0.256CS..Hα-helixtrans-63.8-35.3177.5-172.358.8000112.5S367 T372 V373 V381 V384 L385 A389 P401 L417S367-L369 PolarHBondContact O-N 3.27Å; S367-L369 PolarHBondContact OG-N 2.76Å; L369-T372 VanDerWaalsContact CA-OG1 3.25Å; L369-T372 WeakPolarHBondContact CA-OG1 3.49Å; L369-T372 PolarHBondContact O-OG1 3.48Å; L369-V373 HydrophobicContact CD1-CG2 4.21Å; L369-V373 HydrophobicContact CG-CG2 4.48Å; L369-V373 WeakPolarHBondContact O-CB 3.39Å; L369-V373 VanDerWaalsContact O-CG2 3.29Å; L369-V373 WeakPolarHBondContact O-CG2 3.16Å; L369-V373 PolarHBondContact O-N 2.91Å; L369-V381 HydrophobicContact CD1-CG1 4.06Å; L369-V384 HydrophobicContact CB-CG1 4.47Å; L369-V384 HydrophobicContact CD1-CG1 4.18Å; L369-L385 HydrophobicContact CD1-CD2 4.2Å; L369-L385 HydrophobicContact CD1-CG 4.08Å; L369-L385 HydrophobicContact CD2-CD2 3.78Å; L369-A389 HydrophobicContact CB-CB 4.38Å; L369-A389 HydrophobicContact CD2-CB 4.13Å; L369-P401 HydrophobicContact CB-CG 4.35Å; L369-P401 HydrophobicContact CD2-CB 4.06Å; L369-P401 HydrophobicContact CD2-CG 3.71Å; L369-P401 HydrophobicContact CG-CB 3.97Å; L369-P401 HydrophobicContact CG-CG 3.82Å; L369-L417 HydrophobicContact CD2-CD2 4.38Å
370H88.6Confident83.7Confident0 Ų036.7 Ų36.70%022%0.221CC..Hα-helixtrans-64.6-42.1176.2-6792.5000112.1S367 L368 A374 C393 T395 Y399 I404S367-H370 PolarHBondContact N-ND1 2.98Å; S367-H370 VanDerWaalsContact N-ND1 3.13Å; S367-H370 WeakPolarHBondContact O-CB 3.48Å; S367-H370 PolarHBondContact O-N 3.09Å; S367-H370 PolarHBondContact OG-N 2.87Å; S367-H370 PolarHBondContact OG-ND1 3.14Å; L368-H370 VanDerWaalsContact C-N 3.32Å; L368-H370 PolarHBondContact O-N 3.44Å; H370-A374 WeakPolarHBondContact O-CB 3.33Å; H370-A374 PolarHBondContact O-N 3.45Å; H370-C393 PolarHBondContact CE1-SG 3.37Å; H370-C393 PolarHBondContact NE2-O 3.12Å; H370-T395 VanDerWaalsContact CD2-CG2 3.41Å; H370-T395 WeakPolarHBondContact CD2-CG2 3.48Å; H370-T395 WeakPolarHBondContact NE2-CG2 3.49Å; H370-Y399 PolarHBondContact NE2-O 2.83Å; H370-I404 HydrophobicContact CB-CD1 3.96Å
371F85.4Confident84.6Confident4 Ų434.8 Ų34.82%0.01821%0.211CC..Hα-helixtrans-72.5-37.4179.6-70-71.6000112.7P321 M323 L338 L341 F362 K366 S367 L368 A374 S375P321-F371 HydrophobicContact CB-CD1 4.48Å; P321-F371 HydrophobicContact CB-CE1 4.2Å; M323-F371 HydrophobicContact SD-CD1 3.59Å; M323-F371 VanDerWaalsContact SD-CD1 3.59Å; M323-F371 HydrophobicContact SD-CE1 4.1Å; L338-F371 HydrophobicContact CD1-CE2 4.28Å; L338-F371 HydrophobicContact CD1-CZ 4.38Å; L338-F371 HydrophobicContact CD2-CB 3.79Å; L338-F371 HydrophobicContact CD2-CD1 4.19Å; L338-F371 HydrophobicContact CD2-CD2 3.59Å; L338-F371 HydrophobicContact CD2-CE2 4.14Å; L338-F371 HydrophobicContact CD2-CG 3.6Å; L341-F371 HydrophobicContact CD1-CB 4.1Å; F362-F371 HydrophobicContact CB-CE2 3.77Å; F362-F371 HydrophobicContact CB-CZ 4.38Å; F362-F371 HydrophobicContact CD2-CD2 4.14Å; F362-F371 AromaticContact CD2-CE2 3.85Å; F362-F371 HydrophobicContact CD2-CE2 3.85Å; F362-F371 HydrophobicContact CG-CD2 4.47Å; F362-F371 AromaticContact CG-CE2 3.8Å; F362-F371 HydrophobicContact CG-CE2 3.8Å; K366-F371 HydrophobicContact CB-CD2 4.45Å; K366-F371 HydrophobicContact CB-CE2 3.65Å; K366-F371 HydrophobicContact CB-CZ 3.99Å; K366-F371 HydrophobicContact CD-CE1 4.12Å; K366-F371 HydrophobicContact CD-CE2 4.1Å; K366-F371 HydrophobicContact CD-CZ 3.53Å; K366-F371 HydrophobicContact CG-CZ 4.42Å; S367-F371 WeakPolarHBondContact O-CD2 3.32Å; L368-F371 PolarHBondContact O-N 3.32Å; F371-A374 PolarHBondContact O-N 3.32Å; F371-S375 PolarHBondContact O-N 3.04Å
372T89.6Confident85.8Confident0 Ų033 Ų330%020%0.201CC..Hα-helixtrans-67.2-39.5175.248.20000112.3L341 F349 L368 L369 A374 S375 V384L341-T372 HydrophobicContact CD1-CG2 3.7Å; L341-T372 HydrophobicContact CD2-CG2 4.04Å; F349-T372 HydrophobicContact CE1-CG2 3.72Å; F349-T372 HydrophobicContact CE2-CG2 4.18Å; F349-T372 HydrophobicContact CZ-CG2 3.27Å; L368-T372 HydrophobicContact CG-CG2 4.43Å; L368-T372 WeakPolarHBondContact O-CG2 3.33Å; L368-T372 PolarHBondContact O-N 2.93Å; L368-T372 PolarHBondContact O-OG1 3.44Å; L369-T372 VanDerWaalsContact CA-OG1 3.25Å; L369-T372 WeakPolarHBondContact CA-OG1 3.49Å; L369-T372 PolarHBondContact O-OG1 3.48Å; T372-A374 VanDerWaalsContact C-N 3.35Å; T372-S375 PolarHBondContact O-N 3.28Å; T372-S375 PolarHBondContact O-OG 3.39Å; T372-V384 HydrophobicContact CG2-CG2 3.97Å
373V89.4Confident86.5Confident0 Ų034.1 Ų34.10%021%0.207CC..Hα-helixtrans-64.8-41.5172.41700000111L369 S375 G376 V381 P401 I404 A405 F410 I413 L417L369-V373 HydrophobicContact CD1-CG2 4.21Å; L369-V373 HydrophobicContact CG-CG2 4.48Å; L369-V373 WeakPolarHBondContact O-CB 3.39Å; L369-V373 VanDerWaalsContact O-CG2 3.29Å; L369-V373 WeakPolarHBondContact O-CG2 3.16Å; L369-V373 PolarHBondContact O-N 2.91Å; V373-S375 PolarHBondContact O-N 3.09Å; V373-G376 PolarHBondContact O-N 2.83Å; V373-G376 VanDerWaalsContact O-N 3.17Å; V373-V381 HydrophobicContact CG2-CG1 4.05Å; V373-V381 HydrophobicContact CG2-CG2 3.87Å; V373-P401 HydrophobicContact CG2-CB 4.14Å; V373-I404 HydrophobicContact CG1-CB 4.11Å; V373-I404 HydrophobicContact CG1-CG2 3.93Å; V373-A405 HydrophobicContact CG1-CB 3.79Å; V373-F410 WeakPolarHBondContact O-CE2 3.4Å; V373-I413 HydrophobicContact CG1-CG2 4.03Å; V373-I413 HydrophobicContact CG2-CG2 4Å; V373-L417 HydrophobicContact CG2-CD1 4.07Å; V373-L417 HydrophobicContact CG2-CD2 4.44Å
374A85.1Confident87.5Confident34 Ų3429.5 Ų29.528%0.28117%0.174SC..Hα-helixtrans-64.5-24.1177.100000113.5H370 F371 T372 G376 I404H370-A374 WeakPolarHBondContact O-CB 3.33Å; H370-A374 PolarHBondContact O-N 3.45Å; F371-A374 PolarHBondContact O-N 3.32Å; T372-A374 VanDerWaalsContact C-N 3.35Å; A374-G376 VanDerWaalsContact C-N 3.31Å; A374-I404 HydrophobicContact CB-CG2 4.3Å
375S84.7Confident88.9Confident27 Ų2728 Ų2819%0.18916%0.156CC..Hα-helixtrans-74.1-22.6176.683.70000113.2F371 T372 V373F371-S375 PolarHBondContact O-N 3.04Å; T372-S375 PolarHBondContact O-N 3.28Å; T372-S375 PolarHBondContact O-OG 3.39Å; V373-S375 PolarHBondContact O-N 3.09Å
376G85Confident89.5Confident29 Ų2927.4 Ų27.430%0.29916%0.16SC..THydrogen-bonded Turntrans82.57.9176.400000115.8V373 A374V373-G376 PolarHBondContact O-N 2.83Å; V373-G376 VanDerWaalsContact O-N 3.17Å; A374-G376 VanDerWaalsContact C-N 3.31Å
377D91.4Very high90Very high31 Ų3128.2 Ų28.217%0.16617%0.165CC..  trans-92.4106.3178.2-177.554.9000112.4F346 R350 E379 S380 V381F346-D377 HydrophobicContact CD1-CB 3.63Å; F346-D377 HydrophobicContact CD2-CB 4.09Å; F346-D377 HydrophobicContact CE1-CB 3.6Å; F346-D377 HydrophobicContact CE2-CB 4.05Å; F346-D377 HydrophobicContact CG-CB 3.88Å; F346-D377 HydrophobicContact CZ-CB 3.81Å; R350-D377 IonicContact NH1-OD2 2.66Å; R350-D377 PolarHBondContact NH1-OD2 3.11Å; D377-E379 VanDerWaalsContact C-N 3.32Å; D377-E379 PolarHBondContact O-N 3.35Å; D377-S380 PolarHBondContact O-N 2.95Å; D377-S380 WeakPolarHBondContact OD2-CB 3.15Å; D377-S380 PolarHBondContact OD2-N 2.86Å; D377-S380 PolarHBondContact OD2-OG 2.95Å; D377-V381 WeakPolarHBondContact O-CG2 3.34Å; D377-V381 PolarHBondContact O-N 3.16Å; D377-V381 VanDerWaalsContact O-N 3.09Å
378A92.7Very high90.1Very high27 Ų2730.4 Ų30.422%0.22319%0.191CC..Hα-helixtrans-61.7-35.5-176.700000113.6V381 K382 I413A378-V381 PolarHBondContact O-N 3.27Å; A378-K382 WeakPolarHBondContact O-CB 3.26Å; A378-K382 PolarHBondContact O-N 2.91Å; A378-I413 HydrophobicContact CB-CG1 3.93Å
379E93.3Very high90.2Very high109 Ų10930.9 Ų30.951%0.50920%0.195SC..Hα-helixtrans-70-38.2179.1-67.9-57132.400112.1D377 K382 H383D377-E379 VanDerWaalsContact C-N 3.32Å; D377-E379 PolarHBondContact O-N 3.35Å; E379-K382 WeakPolarHBondContact O-CB 3.25Å; E379-K382 PolarHBondContact O-N 2.77Å; E379-H383 WeakPolarHBondContact O-CB 3.33Å; E379-H383 PolarHBondContact O-N 2.96Å
380S91.8Very high90.3Very high0 Ų037.5 Ų37.50%023%0.226CC..Hα-helixtrans-65.9-39.6172.6-65.50000111.9R350 D377 H383 V384R350-S380 PolarHBondContact NH1-OG 3.13Å; D377-S380 PolarHBondContact O-N 2.95Å; D377-S380 WeakPolarHBondContact OD2-CB 3.15Å; D377-S380 PolarHBondContact OD2-N 2.86Å; D377-S380 PolarHBondContact OD2-OG 2.95Å; S380-H383 PolarHBondContact O-N 3.47Å; S380-V384 WeakPolarHBondContact O-CG2 3.25Å; S380-V384 PolarHBondContact O-N 3.4Å
381V94.4Very high90.5Very high0 Ų038.3 Ų38.30%023%0.231CC..Hα-helixtrans-62.7-45.6174.3176.80000110.7L369 V373 D377 A378 H383 V384 L385 I413 L416 L417L369-V381 HydrophobicContact CD1-CG1 4.06Å; V373-V381 HydrophobicContact CG2-CG1 4.05Å; V373-V381 HydrophobicContact CG2-CG2 3.87Å; D377-V381 WeakPolarHBondContact O-CG2 3.34Å; D377-V381 PolarHBondContact O-N 3.16Å; D377-V381 VanDerWaalsContact O-N 3.09Å; A378-V381 PolarHBondContact O-N 3.27Å; V381-H383 VanDerWaalsContact C-N 3.31Å; V381-H383 PolarHBondContact O-N 3.05Å; V381-V384 PolarHBondContact O-N 3.32Å; V381-L385 HydrophobicContact CG1-CD1 3.8Å; V381-L385 WeakPolarHBondContact O-CG 3.41Å; V381-L385 PolarHBondContact O-N 3.39Å; V381-I413 HydrophobicContact CG1-CG2 4.24Å; V381-I413 HydrophobicContact CG2-CD1 4.22Å; V381-I413 HydrophobicContact CG2-CG1 4.46Å; V381-I413 HydrophobicContact CG2-CG2 4.3Å; V381-L416 HydrophobicContact CG1-CD2 4.12Å; V381-L417 HydrophobicContact CG1-CD2 4.36Å
382K94.3Very high90.9Very high106 Ų10640.3 Ų40.346%0.46124%0.241SC..Hα-helixtrans-57-45175.1-166.5175.9177.7-179.30112A378 E379 L385 S386 L416A378-K382 WeakPolarHBondContact O-CB 3.26Å; A378-K382 PolarHBondContact O-N 2.91Å; E379-K382 WeakPolarHBondContact O-CB 3.25Å; E379-K382 PolarHBondContact O-N 2.77Å; K382-L385 PolarHBondContact O-N 3.48Å; K382-S386 WeakPolarHBondContact O-CB 3.24Å; K382-S386 PolarHBondContact O-N 3.37Å; K382-L416 HydrophobicContact CB-CD1 3.7Å; K382-L416 HydrophobicContact CD-CD1 4.32Å; K382-L416 HydrophobicContact CG-CD1 4.02Å
383H92.3Very high90.9Very high53 Ų5340.9 Ų40.925%0.24525%0.246CC..Hα-helixtrans-63-49.1179.3-174.559.4000111.5R350 E379 S380 V381 L385 S386 L387R350-H383 HydrophobicContact CG-CB 4.28Å; R350-H383 PolarHBondContact O-NE2 3.38Å; R350-H383 VanDerWaalsContact O-NE2 3.17Å; E379-H383 WeakPolarHBondContact O-CB 3.33Å; E379-H383 PolarHBondContact O-N 2.96Å; S380-H383 PolarHBondContact O-N 3.47Å; V381-H383 VanDerWaalsContact C-N 3.31Å; V381-H383 PolarHBondContact O-N 3.05Å; H383-L385 VanDerWaalsContact C-N 3.32Å; H383-L385 PolarHBondContact O-N 3.2Å; H383-S386 PolarHBondContact O-N 3.12Å; H383-S386 VanDerWaalsContact O-N 3.13Å; H383-S386 PolarHBondContact O-OG 3.2Å; H383-L387 WeakPolarHBondContact O-CG 3.34Å; H383-L387 PolarHBondContact O-N 3.17Å; H383-L387 VanDerWaalsContact O-N 3.16Å
384V91.8Very high91Very high0 Ų043.8 Ų43.80%026%0.263CS..Hα-helixtrans-62.2-37.9178.6169.30000112.2F349 V353 V358 L368 L369 T372 S380 V381 L387 A389F349-V384 HydrophobicContact CE1-CG2 4Å; F349-V384 HydrophobicContact CZ-CG2 4.01Å; V353-V384 HydrophobicContact CG1-CG2 4.32Å; V358-V384 HydrophobicContact CG1-CG1 4.3Å; V358-V384 HydrophobicContact CG2-CG1 4.48Å; L368-V384 HydrophobicContact CD2-CG2 4.35Å; L369-V384 HydrophobicContact CB-CG1 4.47Å; L369-V384 HydrophobicContact CD1-CG1 4.18Å; T372-V384 HydrophobicContact CG2-CG2 3.97Å; S380-V384 WeakPolarHBondContact O-CG2 3.25Å; S380-V384 PolarHBondContact O-N 3.4Å; V381-V384 PolarHBondContact O-N 3.32Å; V384-L387 PolarHBondContact O-N 3.17Å; V384-A389 HydrophobicContact CG1-CB 3.69Å; V384-A389 VanDerWaalsContact O-CB 3.32Å; V384-A389 WeakPolarHBondContact O-CB 3.02Å; V384-A389 PolarHBondContact O-N 3.04Å
385L92.9Very high91Very high13 Ų1342.7 Ų42.77%0.06825%0.253CS..Hα-helixtrans-66.4-39.5173.5-72.5162.7000112.6L369 V381 K382 H383 L387 G388 A389 V391 L416 L417 H420L369-L385 HydrophobicContact CD1-CD2 4.2Å; L369-L385 HydrophobicContact CD1-CG 4.08Å; L369-L385 HydrophobicContact CD2-CD2 3.78Å; V381-L385 HydrophobicContact CG1-CD1 3.8Å; V381-L385 WeakPolarHBondContact O-CG 3.41Å; V381-L385 PolarHBondContact O-N 3.39Å; K382-L385 PolarHBondContact O-N 3.48Å; H383-L385 VanDerWaalsContact C-N 3.32Å; H383-L385 PolarHBondContact O-N 3.2Å; L385-L387 PolarHBondContact O-N 2.71Å; L385-G388 PolarHBondContact O-N 3.27Å; L385-A389 HydrophobicContact CD2-CB 4.32Å; L385-V391 HydrophobicContact CD2-CB 4.15Å; L385-V391 HydrophobicContact CD2-CG2 4.17Å; L385-L416 HydrophobicContact CD1-CD2 3.13Å; L385-L417 HydrophobicContact CD1-CD2 4.05Å; L385-H420 HydrophobicContact CD1-CB 4.4Å; L385-H420 HydrophobicContact CD2-CB 4.47Å
386S92Very high90.8Very high85 Ų8543.3 Ų43.359%0.59426%0.26SS*.Hα-helixtrans-63.6-23.7176.474.80000113.6K382 H383 G388K382-S386 WeakPolarHBondContact O-CB 3.24Å; K382-S386 PolarHBondContact O-N 3.37Å; H383-S386 PolarHBondContact O-N 3.12Å; H383-S386 VanDerWaalsContact O-N 3.13Å; H383-S386 PolarHBondContact O-OG 3.2Å; S386-G388 VanDerWaalsContact C-N 3.25Å; S386-G388 PolarHBondContact O-N 3.1Å
387L91.5Very high90.3Very high54 Ų5447.8 Ų47.828%0.28327%0.268SS..THydrogen-bonded Turntrans-83.33.6174.6-67.6174.9000113.3V353 V358 H383 V384 L385V353-L387 HydrophobicContact CG1-CD1 3.84Å; V358-L387 HydrophobicContact CG2-CB 3.69Å; V358-L387 HydrophobicContact CG2-CD1 4.24Å; H383-L387 WeakPolarHBondContact O-CG 3.34Å; H383-L387 PolarHBondContact O-N 3.17Å; H383-L387 VanDerWaalsContact O-N 3.16Å; V384-L387 PolarHBondContact O-N 3.17Å; L385-L387 PolarHBondContact O-N 2.71Å
388G88.1Confident89.9Confident63 Ų6346.9 Ų46.965%0.64927%0.265SS*.THydrogen-bonded Turntrans95.324.5174.700000115L385 S386 E390L385-G388 PolarHBondContact O-N 3.27Å; S386-G388 VanDerWaalsContact C-N 3.25Å; S386-G388 PolarHBondContact O-N 3.1Å; G388-E390 PolarHBondContact O-N 3.28Å
389A90.3Very high89.6Confident12 Ų1246 Ų4610%0.09926%0.257CS..  trans-62133.8177.600000112.8V358 L369 V384 L385 V391V358-A389 HydrophobicContact CG1-CB 3.26Å; L369-A389 HydrophobicContact CB-CB 4.38Å; L369-A389 HydrophobicContact CD2-CB 4.13Å; V384-A389 HydrophobicContact CG1-CB 3.69Å; V384-A389 VanDerWaalsContact O-CB 3.32Å; V384-A389 WeakPolarHBondContact O-CB 3.02Å; V384-A389 PolarHBondContact O-N 3.04Å; L385-A389 HydrophobicContact CD2-CB 4.32Å; A389-V391 PolarHBondContact O-N 3.28Å
390E91.3Very high89.6Confident141 Ų14140.9 Ų40.966%0.65923%0.232SC*.  trans-66106.8173.1-172.8-176.8-168.600110G388 N392 C393G388-E390 PolarHBondContact O-N 3.28Å; E390-N392 VanDerWaalsContact C-N 3.28Å; E390-N392 PolarHBondContact O-N 3.43Å; E390-C393 HydrophobicContact CB-CB 4.25Å; E390-C393 HydrophobicContact CG-CB 4.25Å; E390-C393 PolarHBondContact O-N 3.32Å; E390-C393 PolarHBondContact O-SG 2.92Å
391V93.2Very high89.7Confident17 Ų1740.9 Ų40.910%0.10323%0.232CC..THydrogen-bonded Turntrans-65.5-29.7-175.369.70000113.4L385 A389 P401 L417 A422L385-V391 HydrophobicContact CD2-CB 4.15Å; L385-V391 HydrophobicContact CD2-CG2 4.17Å; A389-V391 PolarHBondContact O-N 3.28Å; V391-P401 WeakPolarHBondContact O-CD 3.45Å; V391-P401 WeakPolarHBondContact O-CG 3.45Å; V391-L417 HydrophobicContact CG2-CD2 3.96Å; V391-A422 HydrophobicContact CG2-CB 3.73Å
392N93.6Very high89.7Confident45 Ų4540.9 Ų40.924%0.24123%0.232CC..THydrogen-bonded Turntrans-102.215.8-175.8-69.2-40.4000113.5E390 G421 A422 S423 Q426E390-N392 VanDerWaalsContact C-N 3.28Å; E390-N392 PolarHBondContact O-N 3.43Å; N392-G421 PolarHBondContact ND2-O 3.22Å; N392-G421 VanDerWaalsContact ND2-O 3.16Å; N392-A422 WeakPolarHBondContact OD1-CA 3.41Å; N392-S423 PolarHBondContact OD1-N 3.2Å; N392-Q426 PolarHBondContact O-NE2 3Å
393C90.4Very high89.5Confident13 Ų1335.9 Ų35.99%0.08821%0.211CC..  trans-58.3151.7174.660.20000110.9S367 H370 E390 T400 P401S367-C393 PolarHBondContact OG-SG 2.95Å; H370-C393 PolarHBondContact CE1-SG 3.37Å; H370-C393 PolarHBondContact NE2-O 3.12Å; E390-C393 HydrophobicContact CB-CB 4.25Å; E390-C393 HydrophobicContact CG-CB 4.25Å; E390-C393 PolarHBondContact O-N 3.32Å; E390-C393 PolarHBondContact O-SG 2.92Å; C393-T400 WeakPolarHBondContact O-CA 3.29Å; C393-P401 WeakPolarHBondContact O-CD 3.41Å
394T90.1Very high89.3Confident60 Ų6033.4 Ų33.437%0.36820%0.199SC..  trans-126.4136.6-176.757.20000111.8Y399 T400T394-Y399 WeakPolarHBondContact CA-O 3.46Å; T394-T400 HydrophobicContact CG2-CG2 4.07Å
395T85.5Confident89.3Confident11 Ų1133.4 Ų33.47%0.06720%0.199CC..  trans-65.3170.9166.568.10000112.1K366 H370 R397 G398 Y399K366-T395 HydrophobicContact CG-CG2 3.97Å; H370-T395 VanDerWaalsContact CD2-CG2 3.41Å; H370-T395 WeakPolarHBondContact CD2-CG2 3.48Å; H370-T395 WeakPolarHBondContact NE2-CG2 3.49Å; T395-R397 PolarHBondContact O-N 2.84Å; T395-R397 PolarHBondContact OG1-N 3.18Å; T395-G398 PolarHBondContact O-N 2.86Å; T395-Y399 PolarHBondContact N-O 3.03Å; T395-Y399 PolarHBondContact OG1-N 3.25Å
396A80.4Confident89Confident40 Ų4032.8 Ų32.833%0.33120%0.196SC..THydrogen-bonded Turntrans-61.2-13.3172.400000113.6G364 N365 K429G364-A396 WeakPolarHBondContact O-CB 3.36Å; G364-A396 PolarHBondContact O-N 2.81Å; N365-A396 HydrophobicContact CB-CB 4.41Å; A396-K429 WeakPolarHBondContact O-CE 3.45Å; A396-K429 PolarHBondContact O-NZ 3.46Å
397R75.1Confident88.5Confident124 Ų12429.9 Ų29.947%0.46817%0.174SC..THydrogen-bonded Turntrans-98.82.2172.1-65.4-169.3-177.3-175.47113.5S319 T395 Y399 K429S319-R397 PolarHBondContact OG-NH1 2.77Å; S319-R397 PolarHBondContact OG-NH2 2.94Å; T395-R397 PolarHBondContact O-N 2.84Å; T395-R397 PolarHBondContact OG1-N 3.18Å; R397-Y399 VanDerWaalsContact C-N 3.33Å; R397-Y399 HydrophobicContact CB-CD2 4.24Å; R397-Y399 HydrophobicContact CB-CE2 4.24Å; R397-K429 WeakPolarHBondContact O-CB 3.3Å; R397-K429 WeakPolarHBondContact O-CG 3.42Å; R397-K429 PolarHBondContact O-N 3.3Å; R397-K429 VanDerWaalsContact O-N 3.1Å
398G83.5Confident88Confident11 Ų1130.7 Ų30.711%0.11318%0.176CC..  trans85.6-2.8-17900000114.4T395 T400T395-G398 PolarHBondContact O-N 2.86Å; G398-T400 PolarHBondContact O-N 3.4Å
399Y86.4Confident87.9Confident10 Ų1034.2 Ų34.24%0.03917%0.17CC..  trans-62129.5175.9-61.1-41.3000111.1V318 H370 T394 T395 R397 I403 D428 F437V318-Y399 HydrophobicContact CG1-CE2 4.43Å; H370-Y399 PolarHBondContact NE2-O 2.83Å; T394-Y399 WeakPolarHBondContact CA-O 3.46Å; T395-Y399 PolarHBondContact N-O 3.03Å; T395-Y399 PolarHBondContact OG1-N 3.25Å; R397-Y399 VanDerWaalsContact C-N 3.33Å; R397-Y399 HydrophobicContact CB-CD2 4.24Å; R397-Y399 HydrophobicContact CB-CE2 4.24Å; Y399-I403 HydrophobicContact CD1-CG2 3.66Å; Y399-I403 HydrophobicContact CE1-CG2 4.3Å; Y399-I403 HydrophobicContact CG-CG2 4.36Å; Y399-D428 HydrophobicContact CD1-CB 3.87Å; Y399-D428 HydrophobicContact CE1-CB 4.05Å; Y399-F437 AromaticContact CE1-CZ 3.97Å; Y399-F437 HydrophobicContact CE1-CZ 3.97Å
400T92.8Very high87.8Confident0 Ų036.5 Ų36.50%018%0.177CC..  trans-89.5161.2167.863.30000110.2C393 T394 G398 L402 I403 I404 Q426C393-T400 WeakPolarHBondContact O-CA 3.29Å; T394-T400 HydrophobicContact CG2-CG2 4.07Å; G398-T400 PolarHBondContact O-N 3.4Å; T400-L402 PolarHBondContact O-N 3.21Å; T400-I403 HydrophobicContact CG2-CD1 4.45Å; T400-I403 PolarHBondContact O-N 2.96Å; T400-I403 VanDerWaalsContact O-N 3.07Å; T400-I403 WeakPolarHBondContact OG1-CG1 3.3Å; T400-I403 PolarHBondContact OG1-N 3.5Å; T400-I403 VanDerWaalsContact OG1-N 3.12Å; T400-I404 PolarHBondContact O-N 3.41Å; T400-I404 VanDerWaalsContact O-N 3.1Å; T400-Q426 HydrophobicContact CG2-CB 4.42Å; T400-Q426 HydrophobicContact CG2-CG 3.9Å
401P93.6Very high87.9Confident0 Ų033.9 Ų33.90%016%0.162CC..Hα-helixtrans-53.1-37.5170.1-27.935000112.6L369 V373 V391 C393 I404 A405 L417L369-P401 HydrophobicContact CB-CG 4.35Å; L369-P401 HydrophobicContact CD2-CB 4.06Å; L369-P401 HydrophobicContact CD2-CG 3.71Å; L369-P401 HydrophobicContact CG-CB 3.97Å; L369-P401 HydrophobicContact CG-CG 3.82Å; V373-P401 HydrophobicContact CG2-CB 4.14Å; V391-P401 WeakPolarHBondContact O-CD 3.45Å; V391-P401 WeakPolarHBondContact O-CG 3.45Å; C393-P401 WeakPolarHBondContact O-CD 3.41Å; P401-I404 PolarHBondContact O-N 3.24Å; P401-A405 PolarHBondContact O-N 3.27Å; P401-L417 HydrophobicContact CB-CD1 4.23Å; P401-L417 HydrophobicContact CB-CD2 4.11Å
402L95.8Very high88Confident1 Ų138.8 Ų38.81%0.00519%0.188CC..Hα-helixtrans-63-44.2175.9-177.562.5000112T400 I404 A405 V406 T414 L417 L418 A422 S423 P434 L450T400-L402 PolarHBondContact O-N 3.21Å; L402-I404 VanDerWaalsContact C-N 3.33Å; L402-I404 PolarHBondContact O-N 3.33Å; L402-A405 PolarHBondContact O-N 2.68Å; L402-V406 HydrophobicContact CD1-CG2 4.47Å; L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 2.82Å; L402-T414 HydrophobicContact CD1-CG2 3.72Å; L402-L417 HydrophobicContact CD1-CB 4.32Å; L402-L418 HydrophobicContact CD1-CD1 4.45Å; L402-L418 HydrophobicContact CD1-CD2 4.12Å; L402-L418 HydrophobicContact CD1-CG 3.98Å; L402-L418 HydrophobicContact CD2-CD2 3.7Å; L402-L418 HydrophobicContact CD2-CG 4.46Å; L402-A422 HydrophobicContact CB-CB 4.12Å; L402-A422 HydrophobicContact CD2-CB 3.94Å; L402-A422 HydrophobicContact CG-CB 4.43Å; L402-S423 WeakPolarHBondContact CD2-O 3.42Å; L402-P434 HydrophobicContact CD2-CB 4.21Å; L402-P434 HydrophobicContact CD2-CG 3.65Å; L402-P434 HydrophobicContact CG-CB 4.19Å; L402-P434 HydrophobicContact CG-CG 3.85Å; L402-L450 HydrophobicContact CD2-CD2 4.31Å
403I89.8Confident88Confident0 Ų036.8 Ų36.80%018%0.177CC..Hα-helixtrans-60.2-42.9175.7-71168.5000110.9Y399 T400 V406 L407 D428 P434 F437Y399-I403 HydrophobicContact CD1-CG2 3.66Å; Y399-I403 HydrophobicContact CE1-CG2 4.3Å; Y399-I403 HydrophobicContact CG-CG2 4.36Å; T400-I403 HydrophobicContact CG2-CD1 4.45Å; T400-I403 PolarHBondContact O-N 2.96Å; T400-I403 VanDerWaalsContact O-N 3.07Å; T400-I403 WeakPolarHBondContact OG1-CG1 3.3Å; T400-I403 PolarHBondContact OG1-N 3.5Å; T400-I403 VanDerWaalsContact OG1-N 3.12Å; I403-V406 PolarHBondContact O-N 3.42Å; I403-L407 HydrophobicContact CG2-CD1 3.74Å; I403-L407 HydrophobicContact CG2-CG 4.27Å; I403-L407 WeakPolarHBondContact O-CB 3.21Å; I403-L407 VanDerWaalsContact O-CG 3.29Å; I403-L407 WeakPolarHBondContact O-CG 3.28Å; I403-L407 PolarHBondContact O-N 3.27Å; I403-D428 HydrophobicContact CD1-CB 4.34Å; I403-P434 HydrophobicContact CG1-CG 3.87Å; I403-F437 HydrophobicContact CB-CD2 4.49Å; I403-F437 HydrophobicContact CB-CE2 4.46Å; I403-F437 HydrophobicContact CD1-CE2 4.24Å; I403-F437 HydrophobicContact CG1-CD2 4.28Å; I403-F437 HydrophobicContact CG1-CE2 4.23Å; I403-F437 HydrophobicContact CG2-CD2 3.61Å; I403-F437 HydrophobicContact CG2-CE2 3.42Å; I403-F437 VanDerWaalsContact CG2-CE2 3.42Å; I403-F437 HydrophobicContact CG2-CG 4.38Å; I403-F437 HydrophobicContact CG2-CZ 4.04Å
404I86.4Confident88.3Confident1 Ų136.1 Ų36.11%0.00517%0.173CC..Hα-helixtrans-62.8-44.3177.5-61.9-177.7000111.2P321 H370 V373 A374 T400 P401 L402 V406 L407 Q408P321-I404 HydrophobicContact CG-CD1 3.85Å; H370-I404 HydrophobicContact CB-CD1 3.96Å; V373-I404 HydrophobicContact CG1-CB 4.11Å; V373-I404 HydrophobicContact CG1-CG2 3.93Å; A374-I404 HydrophobicContact CB-CG2 4.3Å; T400-I404 PolarHBondContact O-N 3.41Å; T400-I404 VanDerWaalsContact O-N 3.1Å; P401-I404 PolarHBondContact O-N 3.24Å; L402-I404 VanDerWaalsContact C-N 3.33Å; L402-I404 PolarHBondContact O-N 3.33Å; I404-V406 VanDerWaalsContact C-N 3.33Å; I404-V406 PolarHBondContact O-N 2.91Å; I404-L407 PolarHBondContact O-N 3.48Å; I404-Q408 HydrophobicContact CG2-CG 4.5Å; I404-Q408 WeakPolarHBondContact O-CG 3.39Å; I404-Q408 PolarHBondContact O-N 2.78Å
405A91.9Very high88.6Confident0 Ų034.6 Ų34.60%016%0.164CC..Hα-helixtrans-60-43.2178.300000111.8V373 P401 L402 Q408 R409 F410 I413 L417V373-A405 HydrophobicContact CG1-CB 3.79Å; P401-A405 PolarHBondContact O-N 3.27Å; L402-A405 PolarHBondContact O-N 2.68Å; A405-Q408 PolarHBondContact O-N 2.81Å; A405-R409 PolarHBondContact O-N 2.94Å; A405-F410 PolarHBondContact O-N 3.38Å; A405-I413 HydrophobicContact CB-CB 4.47Å; A405-I413 HydrophobicContact CB-CG2 3.9Å; A405-L417 HydrophobicContact CB-CD1 3.84Å
406V87.4Confident89.1Confident0 Ų035.3 Ų35.30%017%0.167CC..Hα-helixtrans-67.2-42.5177.3172.70000111.9L402 I403 I404 Q408 R409 T414 P434 F437 A438 N441 T446 L450L402-V406 HydrophobicContact CD1-CG2 4.47Å; L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 2.82Å; I403-V406 PolarHBondContact O-N 3.42Å; I404-V406 VanDerWaalsContact C-N 3.33Å; I404-V406 PolarHBondContact O-N 2.91Å; V406-Q408 VanDerWaalsContact C-N 3.28Å; V406-Q408 PolarHBondContact O-N 3.17Å; V406-R409 PolarHBondContact O-N 3.38Å; V406-R409 VanDerWaalsContact O-N 3.08Å; V406-T414 HydrophobicContact CG2-CG2 4Å; V406-P434 HydrophobicContact CG2-CB 4.15Å; V406-F437 HydrophobicContact CG1-CB 3.97Å; V406-A438 HydrophobicContact CG1-CB 3.7Å; V406-N441 PolarHBondContact O-ND2 2.87Å; V406-T446 HydrophobicContact CB-CG2 4.47Å; V406-T446 HydrophobicContact CG1-CG2 4.11Å; V406-T446 HydrophobicContact CG2-CG2 3.76Å; V406-L450 HydrophobicContact CG2-CD1 4.44Å
407L81.2Confident89.9Confident25 Ų2533.4 Ų33.413%0.13115%0.151CC..Hα-helixtrans-58.7-40.9176.3-81.9169.5000112.2V318 I403 I404 R409 F437 N441V318-L407 HydrophobicContact CG1-CD1 3.92Å; V318-L407 HydrophobicContact CG2-CD1 4.29Å; V318-L407 HydrophobicContact CG2-CD2 3.8Å; I403-L407 HydrophobicContact CG2-CD1 3.74Å; I403-L407 HydrophobicContact CG2-CG 4.27Å; I403-L407 WeakPolarHBondContact O-CB 3.21Å; I403-L407 VanDerWaalsContact O-CG 3.29Å; I403-L407 WeakPolarHBondContact O-CG 3.28Å; I403-L407 PolarHBondContact O-N 3.27Å; I404-L407 PolarHBondContact O-N 3.48Å; L407-R409 VanDerWaalsContact C-N 3.31Å; L407-F437 HydrophobicContact CD1-CD1 4.4Å; L407-F437 HydrophobicContact CD1-CE1 4.38Å; L407-F437 HydrophobicContact CD2-CB 4.15Å; L407-F437 HydrophobicContact CD2-CD1 3.3Å; L407-F437 HydrophobicContact CD2-CE1 3.86Å; L407-F437 HydrophobicContact CD2-CG 3.9Å; L407-F437 HydrophobicContact CG-CB 4.37Å; L407-F437 HydrophobicContact CG-CD1 3.93Å; L407-F437 HydrophobicContact CG-CE1 4.39Å; L407-F437 HydrophobicContact CG-CG 4.12Å; L407-N441 PolarHBondContact O-ND2 3.14Å
408Q80.7Confident90.9Very high70 Ų7028.1 Ų28.133%0.32713%0.132SC..THydrogen-bonded Turntrans-84.4-3.1177.9-64.6-61.4-33.400113.7I404 A405 V406 F410I404-Q408 HydrophobicContact CG2-CG 4.5Å; I404-Q408 WeakPolarHBondContact O-CG 3.39Å; I404-Q408 PolarHBondContact O-N 2.78Å; A405-Q408 PolarHBondContact O-N 2.81Å; V406-Q408 VanDerWaalsContact C-N 3.28Å; V406-Q408 PolarHBondContact O-N 3.17Å; Q408-F410 VanDerWaalsContact C-N 3.26Å; Q408-F410 HydrophobicContact CB-CD1 4.19Å; Q408-F410 HydrophobicContact CB-CD2 3.62Å; Q408-F410 HydrophobicContact CB-CE1 4.06Å; Q408-F410 HydrophobicContact CB-CE2 3.47Å; Q408-F410 VanDerWaalsContact CB-CE2 3.47Å; Q408-F410 HydrophobicContact CB-CG 3.98Å; Q408-F410 HydrophobicContact CB-CZ 3.71Å; Q408-F410 HydrophobicContact CG-CD2 4.43Å; Q408-F410 HydrophobicContact CG-CE2 3.96Å; Q408-F410 HydrophobicContact CG-CZ 4.31Å; Q408-F410 PolarHBondContact O-N 2.89Å
409R85.5Confident91.5Very high138 Ų13832.7 Ų32.752%0.52115%0.154SC..THydrogen-bonded Turntrans6033.8-178.3-48.4179.372.4169.57.7113.1A405 V406 L407 Y411A405-R409 PolarHBondContact O-N 2.94Å; V406-R409 PolarHBondContact O-N 3.38Å; V406-R409 VanDerWaalsContact O-N 3.08Å; L407-R409 VanDerWaalsContact C-N 3.31Å; R409-Y411 PolarHBondContact O-N 3.15Å; R409-Y411 VanDerWaalsContact O-N 3.12Å
410F89.7Confident91.9Very high59 Ų5936.5 Ų36.526%0.25917%0.172SC..  trans-83.482.8175.5-62-29000110.3V373 A405 Q408 D412 I413 T414V373-F410 WeakPolarHBondContact O-CE2 3.4Å; A405-F410 PolarHBondContact O-N 3.38Å; Q408-F410 VanDerWaalsContact C-N 3.26Å; Q408-F410 HydrophobicContact CB-CD1 4.19Å; Q408-F410 HydrophobicContact CB-CD2 3.62Å; Q408-F410 HydrophobicContact CB-CE1 4.06Å; Q408-F410 HydrophobicContact CB-CE2 3.47Å; Q408-F410 VanDerWaalsContact CB-CE2 3.47Å; Q408-F410 HydrophobicContact CB-CG 3.98Å; Q408-F410 HydrophobicContact CB-CZ 3.71Å; Q408-F410 HydrophobicContact CG-CD2 4.43Å; Q408-F410 HydrophobicContact CG-CE2 3.96Å; Q408-F410 HydrophobicContact CG-CZ 4.31Å; Q408-F410 PolarHBondContact O-N 2.89Å; F410-D412 PolarHBondContact O-N 3.14Å; F410-I413 HydrophobicContact CB-CB 3.93Å; F410-I413 HydrophobicContact CB-CD1 4.01Å; F410-I413 HydrophobicContact CB-CG1 4.27Å; F410-I413 HydrophobicContact CD2-CD1 3.9Å; F410-I413 HydrophobicContact CG-CD1 4.15Å; F410-I413 PolarHBondContact O-N 3.2Å; F410-T414 WeakPolarHBondContact O-CB 3.41Å; F410-T414 PolarHBondContact O-N 3.09Å; F410-T414 PolarHBondContact O-OG1 3.26Å
411Y93Very high91.9Very high87 Ų8738.7 Ų38.734%0.34120%0.195SC..Hα-helixtrans-57.1-45.5-176.2-176.1-95.6000113.1R409 I413 T414 C415 R445 L449R409-Y411 PolarHBondContact O-N 3.15Å; R409-Y411 VanDerWaalsContact O-N 3.12Å; Y411-I413 PolarHBondContact O-N 2.96Å; Y411-T414 WeakPolarHBondContact O-CB 3.48Å; Y411-T414 PolarHBondContact O-N 3.07Å; Y411-C415 WeakPolarHBondContact CE1-SG 3.25Å; Y411-C415 PolarHBondContact O-N 3.29Å; Y411-C415 PolarHBondContact O-SG 3.14Å; Y411-R445 HydrophobicContact CD2-CB 3.97Å; Y411-R445 HydrophobicContact CE2-CB 3.77Å; Y411-L449 HydrophobicContact CE2-CB 4.34Å; Y411-L449 HydrophobicContact CE2-CD2 4.05Å
412D94.3Very high92Very high119 Ų11939.1 Ų39.164%0.63620%0.199SC*.Hα-helixtrans-66.6-40.2-177.8-58.5-30.9000111.9F410 T414 C415 L416F410-D412 PolarHBondContact O-N 3.14Å; D412-T414 VanDerWaalsContact C-N 3.33Å; D412-C415 PolarHBondContact O-N 3.05Å; D412-L416 WeakPolarHBondContact O-CB 3.34Å; D412-L416 PolarHBondContact O-N 2.94Å
413I94.7Very high92Very high3 Ų340.6 Ų40.62%0.01521%0.209CC..Hα-helixtrans-67-37.8174.3-66.5173.2000110.6V373 A378 V381 A405 F410 Y411 L416 L417V373-I413 HydrophobicContact CG1-CG2 4.03Å; V373-I413 HydrophobicContact CG2-CG2 4Å; A378-I413 HydrophobicContact CB-CG1 3.93Å; V381-I413 HydrophobicContact CG1-CG2 4.24Å; V381-I413 HydrophobicContact CG2-CD1 4.22Å; V381-I413 HydrophobicContact CG2-CG1 4.46Å; V381-I413 HydrophobicContact CG2-CG2 4.3Å; A405-I413 HydrophobicContact CB-CB 4.47Å; A405-I413 HydrophobicContact CB-CG2 3.9Å; F410-I413 HydrophobicContact CB-CB 3.93Å; F410-I413 HydrophobicContact CB-CD1 4.01Å; F410-I413 HydrophobicContact CB-CG1 4.27Å; F410-I413 HydrophobicContact CD2-CD1 3.9Å; F410-I413 HydrophobicContact CG-CD1 4.15Å; F410-I413 PolarHBondContact O-N 3.2Å; Y411-I413 PolarHBondContact O-N 2.96Å; I413-L416 PolarHBondContact O-N 3.3Å; I413-L417 HydrophobicContact CG2-CD1 3.8Å; I413-L417 HydrophobicContact CG2-CG 4.22Å; I413-L417 WeakPolarHBondContact O-CB 3.48Å; I413-L417 VanDerWaalsContact O-CG 3.26Å; I413-L417 WeakPolarHBondContact O-CG 3.31Å; I413-L417 PolarHBondContact O-N 3.17Å
414T96.4Very high92.3Very high0 Ų041.5 Ų41.50%022%0.215CC..Hα-helixtrans-61.7-46.1175.5-56.50000110.8L402 V406 F410 Y411 D412 L416 L417 L418 T446 L449L402-T414 HydrophobicContact CD1-CG2 3.72Å; V406-T414 HydrophobicContact CG2-CG2 4Å; F410-T414 WeakPolarHBondContact O-CB 3.41Å; F410-T414 PolarHBondContact O-N 3.09Å; F410-T414 PolarHBondContact O-OG1 3.26Å; Y411-T414 WeakPolarHBondContact O-CB 3.48Å; Y411-T414 PolarHBondContact O-N 3.07Å; D412-T414 VanDerWaalsContact C-N 3.33Å; T414-L416 VanDerWaalsContact C-N 3.34Å; T414-L416 PolarHBondContact O-N 3.31Å; T414-L417 PolarHBondContact O-N 3.36Å; T414-L418 HydrophobicContact CG2-CD1 4.01Å; T414-L418 WeakPolarHBondContact O-CD1 3.25Å; T414-L418 VanDerWaalsContact O-CG 3.25Å; T414-L418 WeakPolarHBondContact O-CG 3.25Å; T414-L418 PolarHBondContact O-N 3.25Å; T414-L418 VanDerWaalsContact O-N 3.08Å; T414-T446 HydrophobicContact CG2-CG2 4.19Å; T414-L449 HydrophobicContact CG2-CD2 4.04Å
415C96.1Very high92.6Very high28 Ų2845.8 Ų45.819%0.18925%0.245CC..Hα-helixtrans-57.3-49.5173.8-64.90000111Y411 D412 L417 L418 D419 L449Y411-C415 WeakPolarHBondContact CE1-SG 3.25Å; Y411-C415 PolarHBondContact O-N 3.29Å; Y411-C415 PolarHBondContact O-SG 3.14Å; D412-C415 PolarHBondContact O-N 3.05Å; C415-L417 PolarHBondContact O-N 3.12Å; C415-L418 PolarHBondContact O-N 3.28Å; C415-D419 PolarHBondContact O-N 3.3Å; C415-L449 HydrophobicContact CB-CD2 4.39Å; C415-L449 WeakPolarHBondContact SG-CD2 3.44Å
416L96.3Very high92.6Very high25 Ų2548.5 Ų48.513%0.13126%0.257CS..Hα-helixtrans-60.5-46.1-177.2-166.4154.6000111.9V381 K382 L385 D412 I413 T414 L418 D419 H420V381-L416 HydrophobicContact CG1-CD2 4.12Å; K382-L416 HydrophobicContact CB-CD1 3.7Å; K382-L416 HydrophobicContact CD-CD1 4.32Å; K382-L416 HydrophobicContact CG-CD1 4.02Å; L385-L416 HydrophobicContact CD1-CD2 3.13Å; D412-L416 WeakPolarHBondContact O-CB 3.34Å; D412-L416 PolarHBondContact O-N 2.94Å; I413-L416 PolarHBondContact O-N 3.3Å; T414-L416 VanDerWaalsContact C-N 3.34Å; T414-L416 PolarHBondContact O-N 3.31Å; L416-L418 PolarHBondContact O-N 3.42Å; L416-D419 PolarHBondContact O-N 3.1Å; L416-H420 PolarHBondContact O-N 3.42Å; L416-H420 VanDerWaalsContact O-N 3.14Å; L416-H420 PolarHBondContact O-ND1 3.33Å
417L96.7Very high92.7Very high0 Ų049.5 Ų49.50%027%0.268CS..Hα-helixtrans-61.9-43.1177.5-72167.8000111.6L369 V373 V381 L385 V391 P401 L402 A405 I413 T414 C415 H420 G421 A422L369-L417 HydrophobicContact CD2-CD2 4.38Å; V373-L417 HydrophobicContact CG2-CD1 4.07Å; V373-L417 HydrophobicContact CG2-CD2 4.44Å; V381-L417 HydrophobicContact CG1-CD2 4.36Å; L385-L417 HydrophobicContact CD1-CD2 4.05Å; V391-L417 HydrophobicContact CG2-CD2 3.96Å; P401-L417 HydrophobicContact CB-CD1 4.23Å; P401-L417 HydrophobicContact CB-CD2 4.11Å; L402-L417 HydrophobicContact CD1-CB 4.32Å; A405-L417 HydrophobicContact CB-CD1 3.84Å; I413-L417 HydrophobicContact CG2-CD1 3.8Å; I413-L417 HydrophobicContact CG2-CG 4.22Å; I413-L417 WeakPolarHBondContact O-CB 3.48Å; I413-L417 VanDerWaalsContact O-CG 3.26Å; I413-L417 WeakPolarHBondContact O-CG 3.31Å; I413-L417 PolarHBondContact O-N 3.17Å; T414-L417 PolarHBondContact O-N 3.36Å; C415-L417 PolarHBondContact O-N 3.12Å; L417-H420 CarbonylContact O-C 3.5Å; L417-H420 PolarHBondContact O-N 2.89Å; L417-G421 PolarHBondContact O-N 3.29Å; L417-A422 HydrophobicContact CB-CB 4Å; L417-A422 WeakPolarHBondContact O-CB 3.35Å; L417-A422 PolarHBondContact O-N 3.26Å
418L96.5Very high92.9Very high13 Ų1348.9 Ų48.97%0.06826%0.264CS..Hα-helixtrans-65.3-38.2177.9-69.7167.5000112.3L402 T414 C415 L416 H420 G421 A422 T424 L449 L450 K453L402-L418 HydrophobicContact CD1-CD1 4.45Å; L402-L418 HydrophobicContact CD1-CD2 4.12Å; L402-L418 HydrophobicContact CD1-CG 3.98Å; L402-L418 HydrophobicContact CD2-CD2 3.7Å; L402-L418 HydrophobicContact CD2-CG 4.46Å; T414-L418 HydrophobicContact CG2-CD1 4.01Å; T414-L418 WeakPolarHBondContact O-CD1 3.25Å; T414-L418 VanDerWaalsContact O-CG 3.25Å; T414-L418 WeakPolarHBondContact O-CG 3.25Å; T414-L418 PolarHBondContact O-N 3.25Å; T414-L418 VanDerWaalsContact O-N 3.08Å; C415-L418 PolarHBondContact O-N 3.28Å; L416-L418 PolarHBondContact O-N 3.42Å; L418-H420 PolarHBondContact O-N 3.12Å; L418-G421 PolarHBondContact O-N 3.19Å; L418-G421 VanDerWaalsContact O-N 3.14Å; L418-A422 HydrophobicContact CD2-CB 4.39Å; L418-T424 HydrophobicContact CD2-CG2 3.46Å; L418-T424 VanDerWaalsContact CD2-CG2 3.46Å; L418-L449 HydrophobicContact CD1-CD1 4.38Å; L418-L449 HydrophobicContact CD1-CD2 3.75Å; L418-L449 HydrophobicContact CD1-CG 3.71Å; L418-L450 HydrophobicContact CD1-CD2 4.04Å; L418-L450 HydrophobicContact CD2-CD2 4.25Å; L418-K453 HydrophobicContact CB-CG 4.32Å; L418-K453 HydrophobicContact CD1-CG 4.17Å; L418-K453 HydrophobicContact CD2-CB 4.43Å
419D95.4Very high93.1Very high107 Ų10751.8 Ų51.857%0.57228%0.276SS*.Hα-helixtrans-67.7-24.3175.6-69.9-20.7000112.6C415 L416 G421 K453C415-D419 PolarHBondContact O-N 3.3Å; L416-D419 PolarHBondContact O-N 3.1Å; D419-G421 VanDerWaalsContact C-N 3.34Å; D419-K453 IonicContact OD1-NZ 2.7Å; D419-K453 PolarHBondContact OD1-NZ 3.31Å
420H95.1Very high93Very high90 Ų9048 Ų4842%0.41727%0.266SS..THydrogen-bonded Turntrans-92.715.3173.3-67.774.5000113.3L385 L416 L417 L418L385-H420 HydrophobicContact CD1-CB 4.4Å; L385-H420 HydrophobicContact CD2-CB 4.47Å; L416-H420 PolarHBondContact O-N 3.42Å; L416-H420 VanDerWaalsContact O-N 3.14Å; L416-H420 PolarHBondContact O-ND1 3.33Å; L417-H420 CarbonylContact O-C 3.5Å; L417-H420 PolarHBondContact O-N 2.89Å; L418-H420 PolarHBondContact O-N 3.12Å
421G94Very high92.9Very high47 Ų4750.4 Ų50.449%0.48528%0.278SS..THydrogen-bonded Turntrans86.323.6172.400000115.4N392 L417 L418 D419 S423N392-G421 PolarHBondContact ND2-O 3.22Å; N392-G421 VanDerWaalsContact ND2-O 3.16Å; L417-G421 PolarHBondContact O-N 3.29Å; L418-G421 PolarHBondContact O-N 3.19Å; L418-G421 VanDerWaalsContact O-N 3.14Å; D419-G421 VanDerWaalsContact C-N 3.34Å; G421-S423 PolarHBondContact O-N 2.85Å
422A96.1Very high92.7Very high9 Ų946.8 Ų46.87%0.07426%0.264CS..  trans-59.5131.1170.100000111.3V391 N392 L402 L417 L418 T424V391-A422 HydrophobicContact CG2-CB 3.73Å; N392-A422 WeakPolarHBondContact OD1-CA 3.41Å; L402-A422 HydrophobicContact CB-CB 4.12Å; L402-A422 HydrophobicContact CD2-CB 3.94Å; L402-A422 HydrophobicContact CG-CB 4.43Å; L417-A422 HydrophobicContact CB-CB 4Å; L417-A422 WeakPolarHBondContact O-CB 3.35Å; L417-A422 PolarHBondContact O-N 3.26Å; L418-A422 HydrophobicContact CD2-CB 4.39Å; A422-T424 PolarHBondContact O-N 3.1Å
423S95.4Very high92.7Very high31 Ų3141.4 Ų41.422%0.21724%0.235CC..  trans-73124.1179.4179.60000111.3N392 L402 G421 S425 Q426N392-S423 PolarHBondContact OD1-N 3.2Å; L402-S423 WeakPolarHBondContact CD2-O 3.42Å; G421-S423 PolarHBondContact O-N 2.85Å; S423-S425 VanDerWaalsContact C-N 3.34Å; S423-S425 PolarHBondContact OG-N 3.2Å; S423-S425 PolarHBondContact OG-OG 3.07Å; S423-Q426 PolarHBondContact OG-N 3.43Å
424T94.7Very high92.6Very high19 Ų1941.2 Ų41.212%0.11723%0.234CC..SBendtrans-78.6-18.5175.451.70000113.5L418 A422 L450 K453L418-T424 HydrophobicContact CD2-CG2 3.46Å; L418-T424 VanDerWaalsContact CD2-CG2 3.46Å; A422-T424 PolarHBondContact O-N 3.1Å; T424-L450 HydrophobicContact CG2-CD2 4.05Å; T424-K453 HydrophobicContact CG2-CB 4.09Å
425S93Very high92.6Very high91 Ų9141.2 Ų41.264%0.63623%0.234SC*.SBendtrans-97.4-14.9-177.4600000113.6S423 G427S423-S425 VanDerWaalsContact C-N 3.34Å; S423-S425 PolarHBondContact OG-N 3.2Å; S423-S425 PolarHBondContact OG-OG 3.07Å; S425-G427 PolarHBondContact O-N 3.45Å
426Q92Very high92.3Very high58 Ų5839.9 Ų39.927%0.27123%0.225SC..  trans-73.9115.1-179.3-171.5173.9-6.800110.4N392 T400 S423 P434N392-Q426 PolarHBondContact O-NE2 3Å; T400-Q426 HydrophobicContact CG2-CB 4.42Å; T400-Q426 HydrophobicContact CG2-CG 3.9Å; S423-Q426 PolarHBondContact OG-N 3.43Å; Q426-P434 WeakPolarHBondContact O-CD 3.44Å
427G89.6Confident91.8Very high21 Ų2138.7 Ų38.722%0.21622%0.219CC..  trans-95.5172.717800000114S425 W432S425-G427 PolarHBondContact O-N 3.45Å; G427-W432 CarbonylContact C-O 3.58Å; G427-W432 WeakPolarHBondContact CA-O 3.46Å
428D86.3Confident91.4Very high11 Ų1138.7 Ų38.76%0.05922%0.219CC..  trans-71.3-170.1170.580.7-9.1000112.2H316 Y399 I403 D430 Q431 W432H316-D428 IonicContact CD2-OD2 2.86Å; H316-D428 IonicContact NE2-OD2 3.51Å; H316-D428 PolarHBondContact NE2-OD2 3.43Å; H316-D428 VanDerWaalsContact NE2-OD2 3.1Å; Y399-D428 HydrophobicContact CD1-CB 3.87Å; Y399-D428 HydrophobicContact CE1-CB 4.05Å; I403-D428 HydrophobicContact CD1-CB 4.34Å; D428-D430 PolarHBondContact O-N 3.01Å; D428-D430 VanDerWaalsContact O-N 3.15Å; D428-D430 WeakPolarHBondContact OD1-CA 3.45Å; D428-D430 PolarHBondContact OD1-N 3.37Å; D428-Q431 WeakPolarHBondContact O-CA 3.29Å; D428-Q431 PolarHBondContact O-N 3.33Å; D428-Q431 PolarHBondContact OD1-N 3.15Å; D428-W432 PolarHBondContact N-O 2.85Å; D428-W432 WeakPolarHBondContact OD1-CB 3.47Å; D428-W432 PolarHBondContact OD1-N 2.9Å
429K85.3Confident91Very high131 Ų13138.1 Ų38.157%0.5722%0.216SC*.THydrogen-bonded Turntrans-55.5-31.3177.5-91.5-175.8170.7173.30113.8A396 R397 Q431 K462A396-K429 WeakPolarHBondContact O-CE 3.45Å; A396-K429 PolarHBondContact O-NZ 3.46Å; R397-K429 WeakPolarHBondContact O-CB 3.3Å; R397-K429 WeakPolarHBondContact O-CG 3.42Å; R397-K429 PolarHBondContact O-N 3.3Å; R397-K429 VanDerWaalsContact O-N 3.1Å; K429-Q431 VanDerWaalsContact C-N 3.29Å; K429-K462 WeakPolarHBondContact O-CE 3.36Å; K429-K462 PolarHBondContact O-NZ 3.38Å
430D81.8Confident90.5Very high60 Ų6034.2 Ų34.232%0.32119%0.194SC..THydrogen-bonded Turntrans-95.513.1179.6-60.9-41.3000112.3D428 W432 E461 K462D428-D430 PolarHBondContact O-N 3.01Å; D428-D430 VanDerWaalsContact O-N 3.15Å; D428-D430 WeakPolarHBondContact OD1-CA 3.45Å; D428-D430 PolarHBondContact OD1-N 3.37Å; D430-W432 PolarHBondContact O-N 2.76Å; D430-E461 WeakPolarHBondContact O-CB 3.12Å; D430-K462 HydrophobicContact CB-CD 4.42Å; D430-K462 WeakPolarHBondContact O-CG 3.47Å; D430-K462 PolarHBondContact O-N 2.91Å; D430-K462 IonicContact OD1-NZ 2.69Å; D430-K462 PolarHBondContact OD1-NZ 3.45Å
431Q88.8Confident89.7Confident109 Ų10932.2 Ų32.251%0.50919%0.187SC..  trans65.521.9-177.4-53.7-178.132.600113.4D428 K429 T433 E461 K462D428-Q431 WeakPolarHBondContact O-CA 3.29Å; D428-Q431 PolarHBondContact O-N 3.33Å; D428-Q431 PolarHBondContact OD1-N 3.15Å; K429-Q431 VanDerWaalsContact C-N 3.29Å; Q431-T433 PolarHBondContact O-N 2.79Å; Q431-T433 VanDerWaalsContact O-N 3.11Å; Q431-E461 HydrophobicContact CB-CB 4.48Å; Q431-K462 HydrophobicContact CG-CG 4.11Å
432W88.1Confident89.2Confident11 Ų1130.6 Ų30.64%0.04217%0.17CC..  trans-71.5107.2170-78.851.4000110.2H316 G427 D428 D430 H436 F437 E461 L470H316-W432 HydrophobicContact CB-CH2 4.19Å; H316-W432 HydrophobicContact CB-CZ2 4.5Å; H316-W432 HydrophobicContact CB-CZ3 4.28Å; G427-W432 CarbonylContact C-O 3.58Å; G427-W432 WeakPolarHBondContact CA-O 3.46Å; D428-W432 PolarHBondContact N-O 2.85Å; D428-W432 WeakPolarHBondContact OD1-CB 3.47Å; D428-W432 PolarHBondContact OD1-N 2.9Å; D430-W432 PolarHBondContact O-N 2.76Å; W432-H436 HydrophobicContact CB-CB 4.36Å; W432-H436 HydrophobicContact CD2-CB 4.11Å; W432-H436 HydrophobicContact CE3-CB 3.75Å; W432-H436 HydrophobicContact CG-CB 4.41Å; W432-H436 HydrophobicContact CZ3-CB 4.38Å; W432-F437 HydrophobicContact CB-CD2 4.38Å; W432-F437 HydrophobicContact CB-CE2 3.56Å; W432-F437 HydrophobicContact CB-CZ 3.68Å; W432-F437 HydrophobicContact CD2-CE1 4.47Å; W432-F437 HydrophobicContact CD2-CZ 4.37Å; W432-F437 AromaticContact CE3-CD1 3.87Å; W432-F437 HydrophobicContact CE3-CD1 3.87Å; W432-F437 AromaticContact CE3-CE1 3.66Å; W432-F437 HydrophobicContact CE3-CE1 3.66Å; W432-F437 HydrophobicContact CE3-CE2 4.36Å; W432-F437 HydrophobicContact CE3-CG 4.34Å; W432-F437 AromaticContact CE3-CZ 3.92Å; W432-F437 HydrophobicContact CE3-CZ 3.92Å; W432-F437 HydrophobicContact CG-CZ 4.33Å; W432-F437 HydrophobicContact CZ3-CD1 4.27Å; W432-F437 HydrophobicContact CZ3-CE1 4.28Å; W432-F437 WeakPolarHBondContact O-CE2 3.44Å; W432-E461 HydrophobicContact CG-CB 4.46Å; W432-L470 HydrophobicContact CE3-CD1 4.23Å; W432-L470 HydrophobicContact CH2-CD1 3.59Å; W432-L470 HydrophobicContact CH2-CD2 3.57Å; W432-L470 HydrophobicContact CH2-CG 4.24Å; W432-L470 HydrophobicContact CZ2-CD1 4.19Å; W432-L470 HydrophobicContact CZ2-CD2 4.1Å; W432-L470 HydrophobicContact CZ3-CD1 3.61Å; W432-L470 HydrophobicContact CZ3-CD2 4.35Å
433T94Very high88.8Confident5 Ų530.8 Ų30.83%0.03117%0.17CC..  trans-73.6163.5173.967.30000111.9Q431 L435 H436 F437 V459Q431-T433 PolarHBondContact O-N 2.79Å; Q431-T433 VanDerWaalsContact O-N 3.11Å; T433-L435 PolarHBondContact O-N 3.05Å; T433-L435 PolarHBondContact OG1-N 2.89Å; T433-H436 PolarHBondContact N-ND1 3.3Å; T433-H436 WeakPolarHBondContact O-CB 3.5Å; T433-H436 PolarHBondContact O-N 3.38Å; T433-H436 PolarHBondContact OG1-ND1 2.84Å; T433-F437 WeakPolarHBondContact O-CD2 3.39Å; T433-F437 PolarHBondContact O-N 3.12Å; T433-V459 HydrophobicContact CG2-CG1 4.31Å; T433-V459 HydrophobicContact CG2-CG2 3.84Å
434P93.5Very high88.7Confident0 Ų031.8 Ų31.80%017%0.173CC..Hα-helixtrans-50.1-33.1171.1-27.232.4000113.4L402 I403 V406 Q426 H436 F437 A438 L450L402-P434 HydrophobicContact CD2-CB 4.21Å; L402-P434 HydrophobicContact CD2-CG 3.65Å; L402-P434 HydrophobicContact CG-CB 4.19Å; L402-P434 HydrophobicContact CG-CG 3.85Å; I403-P434 HydrophobicContact CG1-CG 3.87Å; V406-P434 HydrophobicContact CG2-CB 4.15Å; Q426-P434 WeakPolarHBondContact O-CD 3.44Å; P434-H436 PolarHBondContact O-N 3.4Å; P434-F437 PolarHBondContact O-N 3.47Å; P434-A438 WeakPolarHBondContact O-CB 3.01Å; P434-A438 PolarHBondContact O-N 2.9Å; P434-L450 HydrophobicContact CB-CD1 3.91Å; P434-L450 HydrophobicContact CB-CD2 4.03Å
435L96.1Very high88.7Confident0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-66.8-34179.5-161.171.7000112.5T433 A439 I447 L450 L451 A455 A456 P467 L483T433-L435 PolarHBondContact O-N 3.05Å; T433-L435 PolarHBondContact OG1-N 2.89Å; L435-A439 VanDerWaalsContact O-CB 3.28Å; L435-A439 WeakPolarHBondContact O-CB 3.43Å; L435-A439 PolarHBondContact O-N 2.77Å; L435-I447 HydrophobicContact CD1-CD1 3.5Å; L435-I447 HydrophobicContact CD1-CG2 4.44Å; L435-I447 HydrophobicContact CG-CD1 4.05Å; L435-L450 HydrophobicContact CD1-CB 3.86Å; L435-L450 HydrophobicContact CD1-CD1 4.11Å; L435-L451 HydrophobicContact CD1-CD2 4.18Å; L435-L451 HydrophobicContact CD1-CG 4.09Å; L435-L451 HydrophobicContact CD2-CD2 3.91Å; L435-A455 HydrophobicContact CD1-CB 4.41Å; L435-A455 HydrophobicContact CD2-CB 4.3Å; L435-A456 VanDerWaalsContact CD2-O 3.28Å; L435-A456 WeakPolarHBondContact CD2-O 3.39Å; L435-P467 HydrophobicContact CB-CG 4.18Å; L435-P467 HydrophobicContact CD2-CB 4.39Å; L435-P467 HydrophobicContact CD2-CG 3.95Å; L435-P467 HydrophobicContact CG-CB 4.19Å; L435-P467 HydrophobicContact CG-CG 4Å; L435-L483 HydrophobicContact CD2-CD2 4.15Å; L435-L483 HydrophobicContact CG-CD2 4.45Å
436H88.9Confident88.7Confident0 Ų034.7 Ų34.70%017%0.168CC..Hα-helixtrans-64.3-48174.3-70.792000111.6W432 T433 P434 A439 Q440 W465 P467 L470W432-H436 HydrophobicContact CB-CB 4.36Å; W432-H436 HydrophobicContact CD2-CB 4.11Å; W432-H436 HydrophobicContact CE3-CB 3.75Å; W432-H436 HydrophobicContact CG-CB 4.41Å; W432-H436 HydrophobicContact CZ3-CB 4.38Å; T433-H436 PolarHBondContact N-ND1 3.3Å; T433-H436 WeakPolarHBondContact O-CB 3.5Å; T433-H436 PolarHBondContact O-N 3.38Å; T433-H436 PolarHBondContact OG1-ND1 2.84Å; P434-H436 PolarHBondContact O-N 3.4Å; H436-A439 PolarHBondContact O-N 2.49Å; H436-Q440 PolarHBondContact O-N 3.21Å; H436-W465 PolarHBondContact NE2-O 3.44Å; H436-W465 VanDerWaalsContact NE2-O 3.15Å; H436-P467 WeakPolarHBondContact NE2-CD 3.43Å; H436-L470 HydrophobicContact CB-CD1 3.79Å; H436-L470 WeakPolarHBondContact O-CD1 3.44Å
437F85.9Confident88.9Confident0 Ų032 Ų320%016%0.155CC..Hα-helixtrans-64.1-42.7178.7-67.5-69.9000112.2H316 Y399 I403 V406 L407 W432 T433 P434 A439 Q440 N441H316-F437 AromaticContact CD2-CE1 3.87Å; H316-F437 AromaticContact CD2-CZ 4Å; Y399-F437 AromaticContact CE1-CZ 3.97Å; Y399-F437 HydrophobicContact CE1-CZ 3.97Å; I403-F437 HydrophobicContact CB-CD2 4.49Å; I403-F437 HydrophobicContact CB-CE2 4.46Å; I403-F437 HydrophobicContact CD1-CE2 4.24Å; I403-F437 HydrophobicContact CG1-CD2 4.28Å; I403-F437 HydrophobicContact CG1-CE2 4.23Å; I403-F437 HydrophobicContact CG2-CD2 3.61Å; I403-F437 HydrophobicContact CG2-CE2 3.42Å; I403-F437 VanDerWaalsContact CG2-CE2 3.42Å; I403-F437 HydrophobicContact CG2-CG 4.38Å; I403-F437 HydrophobicContact CG2-CZ 4.04Å; V406-F437 HydrophobicContact CG1-CB 3.97Å; L407-F437 HydrophobicContact CD1-CD1 4.4Å; L407-F437 HydrophobicContact CD1-CE1 4.38Å; L407-F437 HydrophobicContact CD2-CB 4.15Å; L407-F437 HydrophobicContact CD2-CD1 3.3Å; L407-F437 HydrophobicContact CD2-CE1 3.86Å; L407-F437 HydrophobicContact CD2-CG 3.9Å; L407-F437 HydrophobicContact CG-CB 4.37Å; L407-F437 HydrophobicContact CG-CD1 3.93Å; L407-F437 HydrophobicContact CG-CE1 4.39Å; L407-F437 HydrophobicContact CG-CG 4.12Å; W432-F437 HydrophobicContact CB-CD2 4.38Å; W432-F437 HydrophobicContact CB-CE2 3.56Å; W432-F437 HydrophobicContact CB-CZ 3.68Å; W432-F437 HydrophobicContact CD2-CE1 4.47Å; W432-F437 HydrophobicContact CD2-CZ 4.37Å; W432-F437 AromaticContact CE3-CD1 3.87Å; W432-F437 HydrophobicContact CE3-CD1 3.87Å; W432-F437 AromaticContact CE3-CE1 3.66Å; W432-F437 HydrophobicContact CE3-CE1 3.66Å; W432-F437 HydrophobicContact CE3-CE2 4.36Å; W432-F437 HydrophobicContact CE3-CG 4.34Å; W432-F437 AromaticContact CE3-CZ 3.92Å; W432-F437 HydrophobicContact CE3-CZ 3.92Å; W432-F437 HydrophobicContact CG-CZ 4.33Å; W432-F437 HydrophobicContact CZ3-CD1 4.27Å; W432-F437 HydrophobicContact CZ3-CE1 4.28Å; W432-F437 WeakPolarHBondContact O-CE2 3.44Å; T433-F437 WeakPolarHBondContact O-CD2 3.39Å; T433-F437 PolarHBondContact O-N 3.12Å; P434-F437 PolarHBondContact O-N 3.47Å; F437-A439 VanDerWaalsContact C-N 3.28Å; F437-A439 PolarHBondContact O-N 3.12Å; F437-Q440 PolarHBondContact O-N 3.33Å; F437-N441 WeakPolarHBondContact O-CB 3.49Å; F437-N441 PolarHBondContact O-N 2.87Å
438A90.1Very high89.2Confident0 Ų036.8 Ų36.80%017%0.166CC..Hα-helixtrans-61.2-38.7174.900000111.7V406 P434 N441 G442 D443 T446 I447 L450V406-A438 HydrophobicContact CG1-CB 3.7Å; P434-A438 WeakPolarHBondContact O-CB 3.01Å; P434-A438 PolarHBondContact O-N 2.9Å; A438-N441 PolarHBondContact O-N 2.59Å; A438-G442 PolarHBondContact O-N 2.9Å; A438-G442 VanDerWaalsContact O-N 3.1Å; A438-D443 PolarHBondContact O-N 3.47Å; A438-T446 HydrophobicContact CB-CG2 3.96Å; A438-I447 HydrophobicContact CB-CD1 3.52Å; A438-I447 HydrophobicContact CB-CG1 3.87Å; A438-L450 HydrophobicContact CB-CD1 4.14Å
439A86.2Confident89.7Confident0 Ų037 Ų370%017%0.167CC..Hα-helixtrans-71.2-37.8178.800000112.6L435 H436 F437 N441 G442 I447 P467 A471 H476 V479 L483L435-A439 VanDerWaalsContact O-CB 3.28Å; L435-A439 WeakPolarHBondContact O-CB 3.43Å; L435-A439 PolarHBondContact O-N 2.77Å; H436-A439 PolarHBondContact O-N 2.49Å; F437-A439 VanDerWaalsContact C-N 3.28Å; F437-A439 PolarHBondContact O-N 3.12Å; A439-N441 VanDerWaalsContact C-N 3.34Å; A439-G442 PolarHBondContact O-N 3.39Å; A439-I447 HydrophobicContact CB-CD1 4.1Å; A439-P467 HydrophobicContact CB-CB 3.77Å; A439-P467 VanDerWaalsContact CB-O 3.3Å; A439-P467 WeakPolarHBondContact CB-O 3.32Å; A439-A471 HydrophobicContact CB-CB 4.41Å; A439-H476 PolarHBondContact O-CD2 3.35Å; A439-H476 VanDerWaalsContact O-CD2 3.24Å; A439-V479 HydrophobicContact CB-CG1 4.12Å; A439-L483 HydrophobicContact CB-CD1 4.49Å
440Q85.4Confident90.2Very high25 Ų2530.7 Ų30.712%0.11714%0.14CC..Hα-helixtrans-61.5-42.2172.5-173.2-178.648.200111.6P314 H436 F437 G442 H476P314-Q440 PolarHBondContact O-NE2 3.06Å; H436-Q440 PolarHBondContact O-N 3.21Å; F437-Q440 PolarHBondContact O-N 3.33Å; Q440-G442 VanDerWaalsContact C-N 3.31Å; Q440-G442 PolarHBondContact O-N 2.92Å; Q440-H476 PolarHBondContact O-NE2 3.4Å
441N79.3Confident90.9Very high48 Ų4828.6 Ų28.626%0.25713%0.129SC..Hα-helixtrans-76.4-13.5-179.4-74.3-17.3000114.5V406 L407 F437 A438 A439 D443V406-N441 PolarHBondContact O-ND2 2.87Å; L407-N441 PolarHBondContact O-ND2 3.14Å; F437-N441 WeakPolarHBondContact O-CB 3.49Å; F437-N441 PolarHBondContact O-N 2.87Å; A438-N441 PolarHBondContact O-N 2.59Å; A439-N441 VanDerWaalsContact C-N 3.34Å; N441-D443 VanDerWaalsContact C-N 3.3Å
442G83.1Confident91.2Very high13 Ų1329.7 Ų29.713%0.13413%0.134CC..THydrogen-bonded Turntrans69.626.5-17500000113.5A438 A439 Q440 D444 H476A438-G442 PolarHBondContact O-N 2.9Å; A438-G442 VanDerWaalsContact O-N 3.1Å; A439-G442 PolarHBondContact O-N 3.39Å; Q440-G442 VanDerWaalsContact C-N 3.31Å; Q440-G442 PolarHBondContact O-N 2.92Å; G442-D444 PolarHBondContact O-N 2.94Å; G442-H476 WeakPolarHBondContact CA-CD2 3.47Å; G442-H476 VanDerWaalsContact CA-CG 3.42Å; G442-H476 WeakPolarHBondContact CA-NE2 3.36Å; G442-H476 PolarHBondContact N-CD2 2.82Å; G442-H476 PolarHBondContact N-NE2 2.79Å
443D88.1Confident91.5Very high13 Ų1333.6 Ų33.67%0.0715%0.151CC..  trans-86.484.9-177.8-172.2-7.3000111.3A438 N441 R445 T446 I447A438-D443 PolarHBondContact O-N 3.47Å; N441-D443 VanDerWaalsContact C-N 3.3Å; D443-R445 PolarHBondContact O-N 3.48Å; D443-R445 PolarHBondContact OD1-N 2.95Å; D443-T446 VanDerWaalsContact CG-CB 3.44Å; D443-T446 PolarHBondContact O-N 2.86Å; D443-T446 PolarHBondContact OD1-N 3.42Å; D443-T446 PolarHBondContact OD1-OG1 3.27Å; D443-T446 VanDerWaalsContact OD2-CB 3.31Å; D443-T446 WeakPolarHBondContact OD2-CB 3.18Å; D443-T446 PolarHBondContact OD2-OG1 2.99Å; D443-I447 VanDerWaalsContact O-CG1 3.26Å; D443-I447 WeakPolarHBondContact O-CG1 3.36Å; D443-I447 PolarHBondContact O-N 3.12Å
444D92.4Very high91.4Very high52 Ų5236.2 Ų36.228%0.27818%0.179SC..Hα-helixtrans-63.9-27.3-176.470.3-75.5000113.6G442 R448 V479 L482G442-D444 PolarHBondContact O-N 2.94Å; D444-R448 WeakPolarHBondContact O-CG 3.38Å; D444-R448 PolarHBondContact O-N 3.42Å; D444-R448 VanDerWaalsContact O-N 3.09Å; D444-V479 HydrophobicContact CB-CG2 4.15Å; D444-L482 HydrophobicContact CB-CD1 3.83Å
445R94.8Very high91.5Very high172 Ų17236.7 Ų36.765%0.64918%0.183SC*.Hα-helixtrans-69.2-50176.5-65.4-176.2-177.6-176.5-0110.8Y411 D443 I447 R448 L449Y411-R445 HydrophobicContact CD2-CB 3.97Å; Y411-R445 HydrophobicContact CE2-CB 3.77Å; D443-R445 PolarHBondContact O-N 3.48Å; D443-R445 PolarHBondContact OD1-N 2.95Å; R445-I447 VanDerWaalsContact C-N 3.32Å; R445-I447 PolarHBondContact O-N 3.35Å; R445-R448 PolarHBondContact O-N 3.23Å; R445-L449 PolarHBondContact O-N 2.95Å; R445-L449 VanDerWaalsContact O-N 3.08Å
446T92.9Very high91.4Very high0 Ų039.3 Ų39.30%021%0.205CC..Hα-helixtrans-64.5-37.9177.9-63.10000111.4V406 T414 A438 D443 R448 L449 L450V406-T446 HydrophobicContact CB-CG2 4.47Å; V406-T446 HydrophobicContact CG1-CG2 4.11Å; V406-T446 HydrophobicContact CG2-CG2 3.76Å; T414-T446 HydrophobicContact CG2-CG2 4.19Å; A438-T446 HydrophobicContact CB-CG2 3.96Å; D443-T446 VanDerWaalsContact CG-CB 3.44Å; D443-T446 PolarHBondContact O-N 2.86Å; D443-T446 PolarHBondContact OD1-N 3.42Å; D443-T446 PolarHBondContact OD1-OG1 3.27Å; D443-T446 VanDerWaalsContact OD2-CB 3.31Å; D443-T446 WeakPolarHBondContact OD2-CB 3.18Å; D443-T446 PolarHBondContact OD2-OG1 2.99Å; T446-R448 PolarHBondContact O-N 2.73Å; T446-L449 PolarHBondContact O-N 3.4Å; T446-L450 HydrophobicContact CG2-CD1 3.84Å; T446-L450 HydrophobicContact CG2-CG 4.23Å; T446-L450 WeakPolarHBondContact O-CB 3.43Å; T446-L450 VanDerWaalsContact O-CG 3.27Å; T446-L450 WeakPolarHBondContact O-CG 3.4Å; T446-L450 PolarHBondContact O-N 3.01Å
447I96.1Very high91.6Very high0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-57.6-49172.5-70.5-70.7000111.4L435 A438 A439 D443 R445 L449 L450 L451 V479 L482 L483L435-I447 HydrophobicContact CD1-CD1 3.5Å; L435-I447 HydrophobicContact CD1-CG2 4.44Å; L435-I447 HydrophobicContact CG-CD1 4.05Å; A438-I447 HydrophobicContact CB-CD1 3.52Å; A438-I447 HydrophobicContact CB-CG1 3.87Å; A439-I447 HydrophobicContact CB-CD1 4.1Å; D443-I447 VanDerWaalsContact O-CG1 3.26Å; D443-I447 WeakPolarHBondContact O-CG1 3.36Å; D443-I447 PolarHBondContact O-N 3.12Å; R445-I447 VanDerWaalsContact C-N 3.32Å; R445-I447 PolarHBondContact O-N 3.35Å; I447-L449 VanDerWaalsContact C-N 3.35Å; I447-L449 PolarHBondContact O-N 3.37Å; I447-L450 PolarHBondContact O-N 3.16Å; I447-L451 HydrophobicContact CG2-CD1 3.61Å; I447-L451 HydrophobicContact CG2-CG 4.36Å; I447-L451 WeakPolarHBondContact O-CB 3.18Å; I447-L451 WeakPolarHBondContact O-CG 2.83Å; I447-L451 PolarHBondContact O-N 3.38Å; I447-V479 HydrophobicContact CD1-CG1 4.28Å; I447-V479 HydrophobicContact CG1-CG1 4.04Å; I447-V479 HydrophobicContact CG1-CG2 4.32Å; I447-L482 HydrophobicContact CG2-CB 4.2Å; I447-L482 HydrophobicContact CG2-CD1 4.28Å; I447-L483 HydrophobicContact CG2-CD2 4.34Å
448R96.1Very high91.9Very high122 Ų12241.8 Ų41.846%0.4622%0.219SC..Hα-helixtrans-57.8-48.9178.1-73.2172.7-163.3-106.44111.3D444 R445 T446 L450 L451 E452 L482D444-R448 WeakPolarHBondContact O-CG 3.38Å; D444-R448 PolarHBondContact O-N 3.42Å; D444-R448 VanDerWaalsContact O-N 3.09Å; R445-R448 PolarHBondContact O-N 3.23Å; T446-R448 PolarHBondContact O-N 2.73Å; R448-L450 PolarHBondContact O-N 3.18Å; R448-L451 PolarHBondContact O-N 3.25Å; R448-E452 WeakPolarHBondContact O-CB 3.02Å; R448-E452 VanDerWaalsContact O-CG 3.3Å; R448-E452 WeakPolarHBondContact O-CG 3.48Å; R448-E452 PolarHBondContact O-N 3.33Å; R448-L482 HydrophobicContact CG-CD1 3.81Å; R448-L482 HydrophobicContact CG-CD2 3.93Å
449L96.8Very high92Very high15 Ų1543.4 Ų43.48%0.07923%0.229CC..Hα-helixtrans-58.7-48.6179.9177.265.6000111.9Y411 T414 C415 L418 R445 T446 I447 L451 E452 K453Y411-L449 HydrophobicContact CE2-CB 4.34Å; Y411-L449 HydrophobicContact CE2-CD2 4.05Å; T414-L449 HydrophobicContact CG2-CD2 4.04Å; C415-L449 HydrophobicContact CB-CD2 4.39Å; C415-L449 WeakPolarHBondContact SG-CD2 3.44Å; L418-L449 HydrophobicContact CD1-CD1 4.38Å; L418-L449 HydrophobicContact CD1-CD2 3.75Å; L418-L449 HydrophobicContact CD1-CG 3.71Å; R445-L449 PolarHBondContact O-N 2.95Å; R445-L449 VanDerWaalsContact O-N 3.08Å; T446-L449 PolarHBondContact O-N 3.4Å; I447-L449 VanDerWaalsContact C-N 3.35Å; I447-L449 PolarHBondContact O-N 3.37Å; L449-L451 PolarHBondContact O-N 2.92Å; L449-E452 PolarHBondContact O-N 3.37Å; L449-K453 HydrophobicContact CD1-CG 4.34Å; L449-K453 WeakPolarHBondContact O-CB 3.24Å; L449-K453 WeakPolarHBondContact O-CG 3.49Å; L449-K453 PolarHBondContact O-N 3.36Å
450L96.6Very high92.3Very high0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-61.8-43179.2-71.5171.1000111.6L402 V406 L418 T424 P434 L435 A438 T446 I447 R448 K453 G454 A455L402-L450 HydrophobicContact CD2-CD2 4.31Å; V406-L450 HydrophobicContact CG2-CD1 4.44Å; L418-L450 HydrophobicContact CD1-CD2 4.04Å; L418-L450 HydrophobicContact CD2-CD2 4.25Å; T424-L450 HydrophobicContact CG2-CD2 4.05Å; P434-L450 HydrophobicContact CB-CD1 3.91Å; P434-L450 HydrophobicContact CB-CD2 4.03Å; L435-L450 HydrophobicContact CD1-CB 3.86Å; L435-L450 HydrophobicContact CD1-CD1 4.11Å; A438-L450 HydrophobicContact CB-CD1 4.14Å; T446-L450 HydrophobicContact CG2-CD1 3.84Å; T446-L450 HydrophobicContact CG2-CG 4.23Å; T446-L450 WeakPolarHBondContact O-CB 3.43Å; T446-L450 VanDerWaalsContact O-CG 3.27Å; T446-L450 WeakPolarHBondContact O-CG 3.4Å; T446-L450 PolarHBondContact O-N 3.01Å; I447-L450 PolarHBondContact O-N 3.16Å; R448-L450 PolarHBondContact O-N 3.18Å; L450-K453 CarbonylContact O-C 3.45Å; L450-K453 PolarHBondContact O-N 3.47Å; L450-G454 PolarHBondContact O-N 3.47Å; L450-A455 HydrophobicContact CB-CB 4.06Å; L450-A455 WeakPolarHBondContact O-CB 3.39Å; L450-A455 PolarHBondContact O-N 2.85Å
451L95.5Very high92.5Very high15 Ų1545.6 Ų45.68%0.07924%0.239CC..Hα-helixtrans-67.5-34.7177.5-67.8169.4000112.6L435 I447 R448 L449 K453 G454 A455 A457 L483 R486L435-L451 HydrophobicContact CD1-CD2 4.18Å; L435-L451 HydrophobicContact CD1-CG 4.09Å; L435-L451 HydrophobicContact CD2-CD2 3.91Å; I447-L451 HydrophobicContact CG2-CD1 3.61Å; I447-L451 HydrophobicContact CG2-CG 4.36Å; I447-L451 WeakPolarHBondContact O-CB 3.18Å; I447-L451 WeakPolarHBondContact O-CG 2.83Å; I447-L451 PolarHBondContact O-N 3.38Å; R448-L451 PolarHBondContact O-N 3.25Å; L449-L451 PolarHBondContact O-N 2.92Å; L451-K453 VanDerWaalsContact C-N 3.35Å; L451-G454 PolarHBondContact O-N 3.21Å; L451-A455 WeakPolarHBondContact CD2-O 3.34Å; L451-A457 HydrophobicContact CD2-CB 3.82Å; L451-L483 HydrophobicContact CD1-CD2 4.36Å; L451-R486 HydrophobicContact CD1-CG 4.05Å
452E95Very high92.9Very high132 Ų13249 Ų4962%0.61725%0.252SS*.Hα-helixtrans-68.1-34.9173.3-75.9168.6-168.900112.1R448 L449 G454R448-E452 WeakPolarHBondContact O-CB 3.02Å; R448-E452 VanDerWaalsContact O-CG 3.3Å; R448-E452 WeakPolarHBondContact O-CG 3.48Å; R448-E452 PolarHBondContact O-N 3.33Å; L449-E452 PolarHBondContact O-N 3.37Å; E452-G454 PolarHBondContact O-N 3.39Å
453K95Very high92.8Very high94 Ų9449.6 Ų49.641%0.40926%0.255SS..THydrogen-bonded Turntrans-83.517.7173.9-62.8-71.7-169.2165.80113.1L418 D419 T424 L449 L450 L451L418-K453 HydrophobicContact CB-CG 4.32Å; L418-K453 HydrophobicContact CD1-CG 4.17Å; L418-K453 HydrophobicContact CD2-CB 4.43Å; D419-K453 IonicContact OD1-NZ 2.7Å; D419-K453 PolarHBondContact OD1-NZ 3.31Å; T424-K453 HydrophobicContact CG2-CB 4.09Å; L449-K453 HydrophobicContact CD1-CG 4.34Å; L449-K453 WeakPolarHBondContact O-CB 3.24Å; L449-K453 WeakPolarHBondContact O-CG 3.49Å; L449-K453 PolarHBondContact O-N 3.36Å; L450-K453 CarbonylContact O-C 3.45Å; L450-K453 PolarHBondContact O-N 3.47Å; L451-K453 VanDerWaalsContact C-N 3.35Å
454G91.8Very high92.7Very high60 Ų6049.5 Ų49.562%0.61926%0.257SS*.THydrogen-bonded Turntrans85.316.6169.400000116.3L450 L451 E452 A456L450-G454 PolarHBondContact O-N 3.47Å; L451-G454 PolarHBondContact O-N 3.21Å; E452-G454 PolarHBondContact O-N 3.39Å; G454-A456 PolarHBondContact O-N 2.77Å
455A95.1Very high92.6Very high10 Ų1047.9 Ų47.98%0.08325%0.247CC..  trans-62.1132.317100000111.1L435 L450 L451 A457L435-A455 HydrophobicContact CD1-CB 4.41Å; L435-A455 HydrophobicContact CD2-CB 4.3Å; L450-A455 HydrophobicContact CB-CB 4.06Å; L450-A455 WeakPolarHBondContact O-CB 3.39Å; L450-A455 PolarHBondContact O-N 2.85Å; L451-A455 WeakPolarHBondContact CD2-O 3.34Å; A455-A457 PolarHBondContact O-N 3.23Å
456A93.9Very high92.5Very high54 Ų5439.7 Ų39.745%0.44622%0.216SC..  trans-71.5125.3174.300000110.7L435 G454 D458 V459L435-A456 VanDerWaalsContact CD2-O 3.28Å; L435-A456 WeakPolarHBondContact CD2-O 3.39Å; G454-A456 PolarHBondContact O-N 2.77Å; A456-D458 VanDerWaalsContact C-N 3.35Å; A456-V459 HydrophobicContact CB-CB 4.46Å; A456-V459 WeakPolarHBondContact O-CG1 3.39Å
457A93.4Very high92.5Very high7 Ų739.7 Ų39.76%0.05822%0.216CC..THydrogen-bonded Turntrans-75.5-23.3-177.100000113.7L451 A455 L483 R486 M487L451-A457 HydrophobicContact CD2-CB 3.82Å; A455-A457 PolarHBondContact O-N 3.23Å; A457-L483 HydrophobicContact CB-CD2 4.42Å; A457-R486 HydrophobicContact CB-CB 4.12Å; A457-M487 HydrophobicContact CB-CG 3.54Å; A457-M487 HydrophobicContact CB-SD 4.43Å
458D92.4Very high92.5Very high45 Ų4539.7 Ų39.724%0.24122%0.216CC..THydrogen-bonded Turntrans-103.718-177.170.4-33.7000113.2A456 M487 A491 R495A456-D458 VanDerWaalsContact C-N 3.35Å; D458-M487 HydrophobicContact CB-CE 3.98Å; D458-A491 HydrophobicContact CB-CB 3.81Å; D458-R495 VanDerWaalsContact O-CZ 3.26Å; D458-R495 PolarHBondContact O-NH1 3.06Å; D458-R495 IonicContact OD2-CZ 2.73Å; D458-R495 IonicContact OD2-NE 3.9Å; D458-R495 PolarHBondContact OD2-NE 3.41Å; D458-R495 IonicContact OD2-NH2 3.55Å; D458-R495 PolarHBondContact OD2-NH2 3.49Å
459V92.7Very high92.2Very high35 Ų3533.9 Ų33.921%0.21219%0.194CC..  trans-60.4140.1175.462.20000110.4T433 A456 M466 P467T433-V459 HydrophobicContact CG2-CG1 4.31Å; T433-V459 HydrophobicContact CG2-CG2 3.84Å; A456-V459 HydrophobicContact CB-CB 4.46Å; A456-V459 WeakPolarHBondContact O-CG1 3.39Å; V459-M466 WeakPolarHBondContact O-CA 3.33Å; V459-P467 HydrophobicContact CG1-CG 3.91Å; V459-P467 VanDerWaalsContact O-CD 3.32Å; V459-P467 WeakPolarHBondContact O-CD 3.48Å
460Q91.9Very high91.7Very high54 Ų5433.1 Ų33.125%0.25219%0.191SC..  trans-113.6135.5175.7-73.3179.2-72.700110.2G464 W465 M466 V496Q460-G464 PolarHBondContact NE2-O 3.3Å; Q460-W465 CarbonylContact C-O 3.5Å; Q460-W465 VanDerWaalsContact CA-O 3.25Å; Q460-W465 WeakPolarHBondContact CA-O 3.41Å; Q460-M466 HydrophobicContact CG-CG 3.69Å; Q460-V496 PolarHBondContact NE2-O 2.87Å
461E89.6Confident91.4Very high16 Ų1633.1 Ų33.18%0.07519%0.191CC..  trans-79.3-178.7166.664.370.8-130.600111D430 Q431 W432 A463 G464 W465D430-E461 WeakPolarHBondContact O-CB 3.12Å; Q431-E461 HydrophobicContact CB-CB 4.48Å; W432-E461 HydrophobicContact CG-CB 4.46Å; E461-A463 VanDerWaalsContact C-N 3.34Å; E461-A463 PolarHBondContact O-N 3.43Å; E461-A463 WeakPolarHBondContact OE1-CA 3.38Å; E461-A463 WeakPolarHBondContact OE1-CB 3.37Å; E461-A463 PolarHBondContact OE1-N 3.43Å; E461-A463 PolarHBondContact OE2-N 2.7Å; E461-G464 WeakPolarHBondContact O-CA 3.45Å; E461-G464 PolarHBondContact O-N 3.48Å; E461-G464 PolarHBondContact OE1-N 2.96Å; E461-W465 HydrophobicContact CG-CB 3.64Å; E461-W465 PolarHBondContact N-O 3Å; E461-W465 WeakPolarHBondContact OE1-CA 3.27Å; E461-W465 WeakPolarHBondContact OE1-CB 3.31Å; E461-W465 VanDerWaalsContact OE1-CD1 3.25Å; E461-W465 PolarHBondContact OE1-N 2.83Å
462K87.3Confident91.1Very high121 Ų12132.4 Ų32.453%0.52619%0.187SC..THydrogen-bonded Turntrans-55.8-40.5-173.3-79.3-175.3-170.7157.20115.1K429 D430 Q431 G464K429-K462 WeakPolarHBondContact O-CE 3.36Å; K429-K462 PolarHBondContact O-NZ 3.38Å; D430-K462 HydrophobicContact CB-CD 4.42Å; D430-K462 WeakPolarHBondContact O-CG 3.47Å; D430-K462 PolarHBondContact O-N 2.91Å; D430-K462 IonicContact OD1-NZ 2.69Å; D430-K462 PolarHBondContact OD1-NZ 3.45Å; Q431-K462 HydrophobicContact CG-CG 4.11Å; K462-G464 PolarHBondContact O-N 2.89Å
463A80.5Confident90.7Very high24 Ų2426.7 Ų26.720%0.19816%0.16CC..THydrogen-bonded Turntrans-86.216.8176.500000112.5E461 W465 E497 E498E461-A463 VanDerWaalsContact C-N 3.34Å; E461-A463 PolarHBondContact O-N 3.43Å; E461-A463 WeakPolarHBondContact OE1-CA 3.38Å; E461-A463 WeakPolarHBondContact OE1-CB 3.37Å; E461-A463 PolarHBondContact OE1-N 3.43Å; E461-A463 PolarHBondContact OE2-N 2.7Å; A463-W465 VanDerWaalsContact C-N 3.26Å; A463-W465 PolarHBondContact O-N 3.46Å; A463-E497 CarbonylContact O-C 3.6Å; A463-E498 HydrophobicContact CB-CB 4.16Å; A463-E498 WeakPolarHBondContact CB-OE2 3.47Å; A463-E498 WeakPolarHBondContact O-CB 3.44Å; A463-E498 PolarHBondContact O-N 2.82Å
464G86.8Confident89.9Confident12 Ų1225.1 Ų25.112%0.12416%0.156CC..SBendtrans77.13.1175.600000115.1Q460 E461 K462Q460-G464 PolarHBondContact NE2-O 3.3Å; E461-G464 WeakPolarHBondContact O-CA 3.45Å; E461-G464 PolarHBondContact O-N 3.48Å; E461-G464 PolarHBondContact OE1-N 2.96Å; K462-G464 PolarHBondContact O-N 2.89Å
465W89.6Confident89.6Confident17 Ų1723.4 Ų23.46%0.06414%0.138CC..  trans-65.5142.5176.9-73.867.4000110.8P314 H436 Q460 E461 A463 H469 L470 E497 I506P314-W465 HydrophobicContact CG-CH2 4.22Å; P314-W465 HydrophobicContact CG-CZ2 4.06Å; H436-W465 PolarHBondContact NE2-O 3.44Å; H436-W465 VanDerWaalsContact NE2-O 3.15Å; Q460-W465 CarbonylContact C-O 3.5Å; Q460-W465 VanDerWaalsContact CA-O 3.25Å; Q460-W465 WeakPolarHBondContact CA-O 3.41Å; E461-W465 HydrophobicContact CG-CB 3.64Å; E461-W465 PolarHBondContact N-O 3Å; E461-W465 WeakPolarHBondContact OE1-CA 3.27Å; E461-W465 WeakPolarHBondContact OE1-CB 3.31Å; E461-W465 VanDerWaalsContact OE1-CD1 3.25Å; E461-W465 PolarHBondContact OE1-N 2.83Å; A463-W465 VanDerWaalsContact C-N 3.26Å; A463-W465 PolarHBondContact O-N 3.46Å; W465-H469 HydrophobicContact CD2-CB 4.16Å; W465-H469 HydrophobicContact CE3-CB 3.38Å; W465-H469 HydrophobicContact CZ3-CB 3.78Å; W465-L470 HydrophobicContact CE3-CD2 3.76Å; W465-L470 HydrophobicContact CE3-CG 4.15Å; W465-L470 HydrophobicContact CZ3-CD2 4.15Å; W465-E497 HydrophobicContact CD2-CB 4.45Å; W465-E497 HydrophobicContact CG-CB 4.16Å; W465-E497 HydrophobicContact CZ2-CG 4.38Å; W465-I506 HydrophobicContact CH2-CD1 4.05Å; W465-I506 HydrophobicContact CH2-CG1 4.46Å; W465-I506 HydrophobicContact CZ2-CD1 4.49Å
466M93.6Very high89.4Confident0 Ų025.4 Ų25.40%015%0.146CC..  trans-110160174.2-66-172.4-74.200108.3V459 Q460 L468 H469 L470 M487 R495 P503V459-M466 WeakPolarHBondContact O-CA 3.33Å; Q460-M466 HydrophobicContact CG-CG 3.69Å; M466-L468 HydrophobicContact CB-CB 4.4Å; M466-L468 PolarHBondContact O-N 3.36Å; M466-L468 VanDerWaalsContact O-N 3.1Å; M466-H469 VanDerWaalsContact CE-CE1 3.41Å; M466-H469 WeakPolarHBondContact CE-CE1 3.47Å; M466-H469 PolarHBondContact N-ND1 3.13Å; M466-H469 WeakPolarHBondContact O-CB 3.42Å; M466-H469 PolarHBondContact O-N 3.25Å; M466-L470 PolarHBondContact O-N 3Å; M466-M487 HydrophobicContact CE-CE 4.26Å; M466-M487 HydrophobicContact SD-CE 3.84Å; M466-R495 HydrophobicContact CE-CB 3.73Å; M466-R495 HydrophobicContact SD-CB 3.75Å; M466-R495 HydrophobicContact SD-CG 4.37Å; M466-P503 HydrophobicContact CE-CG 4.07Å
467P93.8Very high89.3Confident0 Ų025.2 Ų25.20%014%0.136CC..Hα-helixtrans-52.6-33.8168.3-26.436.1000112L435 H436 A439 V459 L470 A471 L483L435-P467 HydrophobicContact CB-CG 4.18Å; L435-P467 HydrophobicContact CD2-CB 4.39Å; L435-P467 HydrophobicContact CD2-CG 3.95Å; L435-P467 HydrophobicContact CG-CB 4.19Å; L435-P467 HydrophobicContact CG-CG 4Å; H436-P467 WeakPolarHBondContact NE2-CD 3.43Å; A439-P467 HydrophobicContact CB-CB 3.77Å; A439-P467 VanDerWaalsContact CB-O 3.3Å; A439-P467 WeakPolarHBondContact CB-O 3.32Å; V459-P467 HydrophobicContact CG1-CG 3.91Å; V459-P467 VanDerWaalsContact O-CD 3.32Å; V459-P467 WeakPolarHBondContact O-CD 3.48Å; P467-L470 PolarHBondContact O-N 3.41Å; P467-A471 WeakPolarHBondContact O-CB 3.43Å; P467-A471 PolarHBondContact O-N 3.24Å; P467-L483 HydrophobicContact CB-CD1 3.98Å; P467-L483 HydrophobicContact CB-CD2 4.3Å
468L95.4Very high89.4Confident0 Ų028.6 Ų28.60%016%0.156CC..Hα-helixtrans-62.8-41.4175.3-176.861.4000112.6M466 A471 C472 V480 L483 L484 M487 P503 L519M466-L468 HydrophobicContact CB-CB 4.4Å; M466-L468 PolarHBondContact O-N 3.36Å; M466-L468 VanDerWaalsContact O-N 3.1Å; L468-A471 PolarHBondContact O-N 3.5Å; L468-C472 WeakPolarHBondContact O-CB 3.28Å; L468-C472 PolarHBondContact O-N 2.69Å; L468-C472 PolarHBondContact O-SG 3.08Å; L468-V480 HydrophobicContact CD1-CB 4.34Å; L468-V480 HydrophobicContact CD1-CG1 3.97Å; L468-V480 HydrophobicContact CD1-CG2 4.19Å; L468-L483 HydrophobicContact CB-CD1 4.29Å; L468-L483 HydrophobicContact CD1-CB 4.38Å; L468-L484 HydrophobicContact CD1-CD2 4.22Å; L468-L484 HydrophobicContact CD1-CG 4.21Å; L468-L484 HydrophobicContact CD2-CD2 3.81Å; L468-M487 HydrophobicContact CB-SD 4.23Å; L468-M487 HydrophobicContact CD2-CE 4.05Å; L468-M487 HydrophobicContact CD2-SD 3.93Å; L468-P503 HydrophobicContact CD2-CB 4.06Å; L468-P503 HydrophobicContact CD2-CG 3.76Å; L468-P503 HydrophobicContact CG-CB 4.04Å; L468-P503 HydrophobicContact CG-CG 4.04Å; L468-L519 HydrophobicContact CD2-CD2 4.35Å
469H89.8Confident89.4Confident0 Ų026.4 Ų26.40%014%0.144CC..Hα-helixtrans-60.9-44.9176.3-69.3115.8000111.2W465 M466 C472 Q473 R501 P503W465-H469 HydrophobicContact CD2-CB 4.16Å; W465-H469 HydrophobicContact CE3-CB 3.38Å; W465-H469 HydrophobicContact CZ3-CB 3.78Å; M466-H469 VanDerWaalsContact CE-CE1 3.41Å; M466-H469 WeakPolarHBondContact CE-CE1 3.47Å; M466-H469 PolarHBondContact N-ND1 3.13Å; M466-H469 WeakPolarHBondContact O-CB 3.42Å; M466-H469 PolarHBondContact O-N 3.25Å; H469-C472 WeakPolarHBondContact O-CB 3.32Å; H469-C472 PolarHBondContact O-N 3.48Å; H469-Q473 PolarHBondContact O-N 3.01Å; H469-R501 PolarHBondContact NE2-O 3.39Å; H469-P503 WeakPolarHBondContact NE2-CD 3.41Å
470L85.4Confident89.6Confident0 Ų024.8 Ų24.80%013%0.134CC..Hα-helixtrans-65.3-41.2178.2-64.7171.7000112.7W432 H436 W465 M466 P467 C472 Q473 N474W432-L470 HydrophobicContact CE3-CD1 4.23Å; W432-L470 HydrophobicContact CH2-CD1 3.59Å; W432-L470 HydrophobicContact CH2-CD2 3.57Å; W432-L470 HydrophobicContact CH2-CG 4.24Å; W432-L470 HydrophobicContact CZ2-CD1 4.19Å; W432-L470 HydrophobicContact CZ2-CD2 4.1Å; W432-L470 HydrophobicContact CZ3-CD1 3.61Å; W432-L470 HydrophobicContact CZ3-CD2 4.35Å; H436-L470 HydrophobicContact CB-CD1 3.79Å; H436-L470 WeakPolarHBondContact O-CD1 3.44Å; W465-L470 HydrophobicContact CE3-CD2 3.76Å; W465-L470 HydrophobicContact CE3-CG 4.15Å; W465-L470 HydrophobicContact CZ3-CD2 4.15Å; M466-L470 PolarHBondContact O-N 3Å; P467-L470 PolarHBondContact O-N 3.41Å; L470-C472 VanDerWaalsContact C-N 3.32Å; L470-Q473 PolarHBondContact O-N 3.32Å; L470-N474 PolarHBondContact O-N 2.92Å; L470-N474 VanDerWaalsContact O-N 3.1Å; L470-N474 PolarHBondContact O-ND2 3.18Å
471A90.4Very high89.8Confident0 Ų028.1 Ų28.10%014%0.144CC..Hα-helixtrans-65.7-37.6175.300000111.6A439 P467 L468 G475 H476 V479 V480 L483A439-A471 HydrophobicContact CB-CB 4.41Å; P467-A471 WeakPolarHBondContact O-CB 3.43Å; P467-A471 PolarHBondContact O-N 3.24Å; L468-A471 PolarHBondContact O-N 3.5Å; A471-G475 PolarHBondContact O-N 3.1Å; A471-H476 HydrophobicContact CB-CB 4.48Å; A471-H476 PolarHBondContact O-N 3.16Å; A471-V479 HydrophobicContact CB-CB 4.21Å; A471-V479 HydrophobicContact CB-CG1 3.72Å; A471-V480 HydrophobicContact CB-CG2 3.72Å; A471-L483 HydrophobicContact CB-CD1 4.35Å
472C88.7Confident90Very high0 Ų028.5 Ų28.50%015%0.147CC..Hα-helixtrans-66-42.1174.5-68.90000112L468 H469 L470 I506 A507 H512 I515L468-C472 WeakPolarHBondContact O-CB 3.28Å; L468-C472 PolarHBondContact O-N 2.69Å; L468-C472 PolarHBondContact O-SG 3.08Å; H469-C472 WeakPolarHBondContact O-CB 3.32Å; H469-C472 PolarHBondContact O-N 3.48Å; L470-C472 VanDerWaalsContact C-N 3.32Å; C472-I506 HydrophobicContact CB-CB 4.45Å; C472-I506 HydrophobicContact CB-CG2 4.28Å; C472-A507 HydrophobicContact CB-CB 4.21Å; C472-H512 PolarHBondContact O-CD2 3.43Å; C472-I515 HydrophobicContact CB-CG2 4.24Å; C472-I515 VanDerWaalsContact SG-CG2 3.57Å
473Q86.6Confident90.4Very high12 Ų1222.7 Ų22.76%0.05612%0.122CC..Hα-helixtrans-60.5-47.2176.7173.8172.6-25.400112H469 L470 I506 Y510 H512H469-Q473 PolarHBondContact O-N 3.01Å; L470-Q473 PolarHBondContact O-N 3.32Å; Q473-I506 HydrophobicContact CB-CG2 3.68Å; Q473-Y510 HydrophobicContact CB-CD2 4.39Å; Q473-Y510 HydrophobicContact CB-CE2 4.29Å; Q473-Y510 HydrophobicContact CG-CD1 4.36Å; Q473-Y510 HydrophobicContact CG-CD2 4.1Å; Q473-Y510 HydrophobicContact CG-CE1 3.97Å; Q473-Y510 HydrophobicContact CG-CE2 3.69Å; Q473-Y510 HydrophobicContact CG-CG 4.43Å; Q473-H512 PolarHBondContact O-NE2 2.97Å
474N80.2Confident91Very high60 Ų6021.8 Ų21.832%0.32111%0.113SC..Hα-helixtrans-87.1-3.9-173.8-65.3-60.4000114.4L470 H476L470-N474 PolarHBondContact O-N 2.92Å; L470-N474 VanDerWaalsContact O-N 3.1Å; L470-N474 PolarHBondContact O-ND2 3.18Å; N474-H476 WeakPolarHBondContact CB-NE2 3.41Å
475G84.6Confident91.3Very high24 Ų2424.6 Ų24.625%0.24713%0.131CC..THydrogen-bonded Turntrans81.719.6174.700000115.2A471 E477 H512A471-G475 PolarHBondContact O-N 3.1Å; G475-E477 PolarHBondContact O-N 3.28Å; G475-H512 WeakPolarHBondContact CA-CE1 3.04Å; G475-H512 WeakPolarHBondContact CA-ND1 3.44Å; G475-H512 WeakPolarHBondContact CA-NE2 3.49Å; G475-H512 PolarHBondContact N-NE2 2.99Å
476H90.5Very high91.3Very high52 Ų5229.9 Ų29.924%0.24115%0.151CC..  trans-82.376.7-175-60.8-46.3000111.7A439 Q440 G442 A471 N474 T478 V479 V480A439-H476 PolarHBondContact O-CD2 3.35Å; A439-H476 VanDerWaalsContact O-CD2 3.24Å; Q440-H476 PolarHBondContact O-NE2 3.4Å; G442-H476 WeakPolarHBondContact CA-CD2 3.47Å; G442-H476 VanDerWaalsContact CA-CG 3.42Å; G442-H476 WeakPolarHBondContact CA-NE2 3.36Å; G442-H476 PolarHBondContact N-CD2 2.82Å; G442-H476 PolarHBondContact N-NE2 2.79Å; A471-H476 HydrophobicContact CB-CB 4.48Å; A471-H476 PolarHBondContact O-N 3.16Å; N474-H476 WeakPolarHBondContact CB-NE2 3.41Å; H476-T478 VanDerWaalsContact C-N 3.3Å; H476-T478 PolarHBondContact O-N 3.49Å; H476-V479 HydrophobicContact CB-CB 4.01Å; H476-V479 HydrophobicContact CB-CG2 4.13Å; H476-V479 PolarHBondContact O-N 3.21Å; H476-V479 VanDerWaalsContact O-N 3.15Å; H476-V480 WeakPolarHBondContact O-CG2 3.34Å; H476-V480 PolarHBondContact O-N 2.89Å
477E93.1Very high91.1Very high50 Ų5030.8 Ų30.823%0.23416%0.156CC..Hα-helixtrans-55.6-40-174-170.4-171.9146.900113.6G475 V480 R481 N514 I515 L518G475-E477 PolarHBondContact O-N 3.28Å; E477-V480 PolarHBondContact O-N 3.42Å; E477-R481 WeakPolarHBondContact O-CG 3.37Å; E477-R481 PolarHBondContact O-N 3.17Å; E477-R481 IonicContact OE1-CZ 2.73Å; E477-R481 IonicContact OE1-NE 3.47Å; E477-R481 PolarHBondContact OE1-NE 2.84Å; E477-R481 IonicContact OE1-NH2 3.4Å; E477-R481 PolarHBondContact OE1-NH2 3.24Å; E477-N514 HydrophobicContact CG-CB 4.3Å; E477-N514 WeakPolarHBondContact OE2-CB 3.45Å; E477-N514 PolarHBondContact OE2-ND2 3.25Å; E477-I515 HydrophobicContact CB-CD1 4.47Å; E477-I515 HydrophobicContact CB-CG1 4.15Å; E477-I515 HydrophobicContact CG-CG1 4.28Å; E477-L518 HydrophobicContact CG-CD1 3.78Å
478T94.9Very high90.7Very high78 Ų7834.1 Ų34.148%0.47918%0.179SC..Hα-helixtrans-64-43.7179.149.80000111.8H476 R481 L482H476-T478 VanDerWaalsContact C-N 3.3Å; H476-T478 PolarHBondContact O-N 3.49Å; T478-R481 PolarHBondContact O-N 2.82Å; T478-L482 WeakPolarHBondContact O-CG 3.48Å; T478-L482 PolarHBondContact O-N 3.34Å; T478-L482 VanDerWaalsContact O-N 3.09Å
479V93.2Very high90Very high0 Ų040.1 Ų40.10%021%0.207CC..Hα-helixtrans-63.9-44.2175.3173.40000110.6A439 D444 I447 A471 H476 R481 L482 L483A439-V479 HydrophobicContact CB-CG1 4.12Å; D444-V479 HydrophobicContact CB-CG2 4.15Å; I447-V479 HydrophobicContact CD1-CG1 4.28Å; I447-V479 HydrophobicContact CG1-CG1 4.04Å; I447-V479 HydrophobicContact CG1-CG2 4.32Å; A471-V479 HydrophobicContact CB-CB 4.21Å; A471-V479 HydrophobicContact CB-CG1 3.72Å; H476-V479 HydrophobicContact CB-CB 4.01Å; H476-V479 HydrophobicContact CB-CG2 4.13Å; H476-V479 PolarHBondContact O-N 3.21Å; H476-V479 VanDerWaalsContact O-N 3.15Å; V479-R481 VanDerWaalsContact C-N 3.32Å; V479-R481 PolarHBondContact O-N 2.95Å; V479-L482 PolarHBondContact O-N 2.91Å; V479-L482 VanDerWaalsContact O-N 3.16Å; V479-L483 HydrophobicContact CG1-CD1 3.76Å; V479-L483 HydrophobicContact CG1-CG 4.19Å; V479-L483 WeakPolarHBondContact O-CG 3.42Å; V479-L483 PolarHBondContact O-N 3.24Å
480V96Very high89.6Confident0 Ų045.7 Ų45.70%024%0.236CC..Hα-helixtrans-55.6-47.5174.9168.50000110.9L468 A471 H476 E477 L482 L483 L484 I515L468-V480 HydrophobicContact CD1-CB 4.34Å; L468-V480 HydrophobicContact CD1-CG1 3.97Å; L468-V480 HydrophobicContact CD1-CG2 4.19Å; A471-V480 HydrophobicContact CB-CG2 3.72Å; H476-V480 WeakPolarHBondContact O-CG2 3.34Å; H476-V480 PolarHBondContact O-N 2.89Å; E477-V480 PolarHBondContact O-N 3.42Å; V480-L482 VanDerWaalsContact C-N 3.33Å; V480-L482 PolarHBondContact O-N 3.05Å; V480-L483 PolarHBondContact O-N 3.36Å; V480-L484 HydrophobicContact CG1-CD1 3.61Å; V480-L484 HydrophobicContact CG1-CG 4.13Å; V480-L484 VanDerWaalsContact O-CB 3.31Å; V480-L484 WeakPolarHBondContact O-CB 3.28Å; V480-L484 WeakPolarHBondContact O-CG 3.29Å; V480-L484 PolarHBondContact O-N 2.66Å; V480-I515 HydrophobicContact CB-CG1 4.36Å; V480-I515 HydrophobicContact CG1-CG1 4.49Å; V480-I515 HydrophobicContact CG1-CG2 4.2Å; V480-I515 HydrophobicContact CG2-CD1 3.99Å; V480-I515 HydrophobicContact CG2-CG1 4.02Å; V480-I515 HydrophobicContact CG2-CG2 4.14Å
481R95.3Very high89.4Confident124 Ų12445.9 Ų45.947%0.46824%0.238SC..Hα-helixtrans-60-41.7177.9-72.2175-176.9-84.30.7112.6E477 T478 V479 S485 L518E477-R481 WeakPolarHBondContact O-CG 3.37Å; E477-R481 PolarHBondContact O-N 3.17Å; E477-R481 IonicContact OE1-CZ 2.73Å; E477-R481 IonicContact OE1-NE 3.47Å; E477-R481 PolarHBondContact OE1-NE 2.84Å; E477-R481 IonicContact OE1-NH2 3.4Å; E477-R481 PolarHBondContact OE1-NH2 3.24Å; T478-R481 PolarHBondContact O-N 2.82Å; V479-R481 VanDerWaalsContact C-N 3.32Å; V479-R481 PolarHBondContact O-N 2.95Å; R481-S485 PolarHBondContact O-N 3.25Å; R481-S485 VanDerWaalsContact O-N 3.09Å; R481-L518 HydrophobicContact CG-CD1 3.68Å; R481-L518 HydrophobicContact CG-CD2 4.46Å; R481-L518 VanDerWaalsContact CZ-CD2 3.5Å; R481-L518 VanDerWaalsContact NH1-CD2 3.3Å
482L95.1Very high89Confident24 Ų2445.9 Ų45.913%0.12624%0.238CC..Hα-helixtrans-65.1-49.2178.6-72.6169.9000111.7D444 I447 R448 T478 V479 V480 L484 S485D444-L482 HydrophobicContact CB-CD1 3.83Å; I447-L482 HydrophobicContact CG2-CB 4.2Å; I447-L482 HydrophobicContact CG2-CD1 4.28Å; R448-L482 HydrophobicContact CG-CD1 3.81Å; R448-L482 HydrophobicContact CG-CD2 3.93Å; T478-L482 WeakPolarHBondContact O-CG 3.48Å; T478-L482 PolarHBondContact O-N 3.34Å; T478-L482 VanDerWaalsContact O-N 3.09Å; V479-L482 PolarHBondContact O-N 2.91Å; V479-L482 VanDerWaalsContact O-N 3.16Å; V480-L482 VanDerWaalsContact C-N 3.33Å; V480-L482 PolarHBondContact O-N 3.05Å; L482-L484 PolarHBondContact O-N 2.69Å; L482-S485 WeakPolarHBondContact O-CB 3.45Å; L482-S485 PolarHBondContact O-N 3.34Å; L482-S485 VanDerWaalsContact O-N 3.11Å; L482-S485 PolarHBondContact O-OG 3.25Å
483L94.9Very high88.5Confident0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-60.4-48.6178.1-67.8172.4000110.8L435 A439 I447 L451 A457 P467 L468 A471 V479 V480 S485 R486 M487L435-L483 HydrophobicContact CD2-CD2 4.15Å; L435-L483 HydrophobicContact CG-CD2 4.45Å; A439-L483 HydrophobicContact CB-CD1 4.49Å; I447-L483 HydrophobicContact CG2-CD2 4.34Å; L451-L483 HydrophobicContact CD1-CD2 4.36Å; A457-L483 HydrophobicContact CB-CD2 4.42Å; P467-L483 HydrophobicContact CB-CD1 3.98Å; P467-L483 HydrophobicContact CB-CD2 4.3Å; L468-L483 HydrophobicContact CB-CD1 4.29Å; L468-L483 HydrophobicContact CD1-CB 4.38Å; A471-L483 HydrophobicContact CB-CD1 4.35Å; V479-L483 HydrophobicContact CG1-CD1 3.76Å; V479-L483 HydrophobicContact CG1-CG 4.19Å; V479-L483 WeakPolarHBondContact O-CG 3.42Å; V479-L483 PolarHBondContact O-N 3.24Å; V480-L483 PolarHBondContact O-N 3.36Å; L483-S485 PolarHBondContact O-N 3.29Å; L483-S485 VanDerWaalsContact O-N 3.12Å; L483-R486 PolarHBondContact O-N 3.19Å; L483-M487 HydrophobicContact CB-SD 4.31Å; L483-M487 VanDerWaalsContact O-CG 3.27Å; L483-M487 WeakPolarHBondContact O-CG 3.46Å; L483-M487 PolarHBondContact O-N 2.84Å; L483-M487 VanDerWaalsContact O-N 3.12Å
484L93.5Very high88Confident4 Ų453.1 Ų53.12%0.02128%0.279CS..Hα-helixtrans-60.5-23.9176.7-69.4176.9000113.4L468 V480 L482 R486 I492 L518 L519 R522L468-L484 HydrophobicContact CD1-CD2 4.22Å; L468-L484 HydrophobicContact CD1-CG 4.21Å; L468-L484 HydrophobicContact CD2-CD2 3.81Å; V480-L484 HydrophobicContact CG1-CD1 3.61Å; V480-L484 HydrophobicContact CG1-CG 4.13Å; V480-L484 VanDerWaalsContact O-CB 3.31Å; V480-L484 WeakPolarHBondContact O-CB 3.28Å; V480-L484 WeakPolarHBondContact O-CG 3.29Å; V480-L484 PolarHBondContact O-N 2.66Å; L482-L484 PolarHBondContact O-N 2.69Å; L484-R486 VanDerWaalsContact C-N 3.3Å; L484-I492 HydrophobicContact CD2-CD1 3.5Å; L484-I492 VanDerWaalsContact CD2-CD1 3.5Å; L484-I492 HydrophobicContact CD2-CG1 3.79Å; L484-I492 HydrophobicContact CD2-CG2 4.19Å; L484-L518 HydrophobicContact CD1-CB 4.34Å; L484-L519 HydrophobicContact CD1-CD2 4.15Å; L484-L519 HydrophobicContact CD2-CD2 4Å; L484-R522 PolarHBondContact O-NH1 2.79Å; L484-R522 PolarHBondContact O-NH2 3.21Å
485S92Very high88.2Confident71 Ų7154.1 Ų54.150%0.49728%0.278SS..Hα-helixtrans-76.8-17175.876.70000113.8R481 L482 L483R481-S485 PolarHBondContact O-N 3.25Å; R481-S485 VanDerWaalsContact O-N 3.09Å; L482-S485 WeakPolarHBondContact O-CB 3.45Å; L482-S485 PolarHBondContact O-N 3.34Å; L482-S485 VanDerWaalsContact O-N 3.11Å; L482-S485 PolarHBondContact O-OG 3.25Å; L483-S485 PolarHBondContact O-N 3.29Å; L483-S485 VanDerWaalsContact O-N 3.12Å
486R90.1Very high88.3Confident128 Ų12854.8 Ų54.848%0.48328%0.278SS..Hα-helixtrans-113.4-2.4-177.8-58.1-58.9-175.181.41.5113.4L451 A457 L483 L484L451-R486 HydrophobicContact CD1-CG 4.05Å; A457-R486 HydrophobicContact CB-CB 4.12Å; L483-R486 PolarHBondContact O-N 3.19Å; L484-R486 VanDerWaalsContact C-N 3.3Å
487M89.4Confident88.2Confident20 Ų2052.6 Ų52.610%0.09927%0.267CS..SBendtrans-100.1147.2178.5-68.6175.57200111.4A457 D458 M466 L468 L483 A491 I492A457-M487 HydrophobicContact CB-CG 3.54Å; A457-M487 HydrophobicContact CB-SD 4.43Å; D458-M487 HydrophobicContact CB-CE 3.98Å; M466-M487 HydrophobicContact CE-CE 4.26Å; M466-M487 HydrophobicContact SD-CE 3.84Å; L468-M487 HydrophobicContact CB-SD 4.23Å; L468-M487 HydrophobicContact CD2-CE 4.05Å; L468-M487 HydrophobicContact CD2-SD 3.93Å; L483-M487 HydrophobicContact CB-SD 4.31Å; L483-M487 VanDerWaalsContact O-CG 3.27Å; L483-M487 WeakPolarHBondContact O-CG 3.46Å; L483-M487 PolarHBondContact O-N 2.84Å; L483-M487 VanDerWaalsContact O-N 3.12Å; M487-A491 HydrophobicContact CE-CB 4.2Å; M487-I492 HydrophobicContact CB-CD1 4.18Å; M487-I492 HydrophobicContact CB-CG1 4.04Å; M487-I492 HydrophobicContact CE-CG1 4.09Å
488S85.5Confident87.9Confident69 Ų6957 Ų5748%0.48329%0.288SS..  trans-73.6155.1167.161.50000110.9D490 A491 I492S488-D490 VanDerWaalsContact C-N 3.3Å; S488-D490 PolarHBondContact O-N 3.46Å; S488-A491 PolarHBondContact O-N 2.9Å; S488-A491 WeakPolarHBondContact OG-CB 3.26Å; S488-A491 PolarHBondContact OG-N 3.4Å; S488-I492 WeakPolarHBondContact O-CG1 3.35Å; S488-I492 PolarHBondContact O-N 3.01Å
489E80.9Confident87.3Confident127 Ų12756.8 Ų56.859%0.59328%0.282SS*.Hα-helixtrans-60.4-41.3176.2-67.6-174.8168.400111.5A491 I492 V493E489-A491 VanDerWaalsContact C-N 3.27Å; E489-A491 PolarHBondContact O-N 2.69Å; E489-I492 PolarHBondContact O-N 3.01Å; E489-V493 WeakPolarHBondContact O-CG2 3.47Å; E489-V493 PolarHBondContact O-N 3Å
490D81Confident87.2Confident116 Ų11657 Ų5762%0.6228%0.283SS*.Hα-helixtrans-56.9-39.4176.2-69.2-19.1000112.8S488 I492 N494S488-D490 VanDerWaalsContact C-N 3.3Å; S488-D490 PolarHBondContact O-N 3.46Å; D490-I492 VanDerWaalsContact C-N 3.34Å; D490-N494 VanDerWaalsContact O-CB 3.26Å; D490-N494 WeakPolarHBondContact O-CB 2.92Å; D490-N494 PolarHBondContact O-N 2.73Å; D490-N494 PolarHBondContact O-ND2 3.16Å; D490-N494 VanDerWaalsContact O-ND2 3.13Å
491A82Confident87Confident5 Ų557.5 Ų57.54%0.04129%0.285CS..Hα-helixtrans-70.1-31.4178.400000112.4D458 M487 S488 E489 R495D458-A491 HydrophobicContact CB-CB 3.81Å; M487-A491 HydrophobicContact CE-CB 4.2Å; S488-A491 PolarHBondContact O-N 2.9Å; S488-A491 WeakPolarHBondContact OG-CB 3.26Å; S488-A491 PolarHBondContact OG-N 3.4Å; E489-A491 VanDerWaalsContact C-N 3.27Å; E489-A491 PolarHBondContact O-N 2.69Å; A491-R495 WeakPolarHBondContact O-CB 3.42Å
492I81.4Confident86.8Confident0 Ų052 Ų520%027%0.265CS..Hα-helixtrans-73.9-37.3178.8-63159.7000110.8L484 M487 S488 E489 D490 L519 V524L484-I492 HydrophobicContact CD2-CD1 3.5Å; L484-I492 VanDerWaalsContact CD2-CD1 3.5Å; L484-I492 HydrophobicContact CD2-CG1 3.79Å; L484-I492 HydrophobicContact CD2-CG2 4.19Å; M487-I492 HydrophobicContact CB-CD1 4.18Å; M487-I492 HydrophobicContact CB-CG1 4.04Å; M487-I492 HydrophobicContact CE-CG1 4.09Å; S488-I492 WeakPolarHBondContact O-CG1 3.35Å; S488-I492 PolarHBondContact O-N 3.01Å; E489-I492 PolarHBondContact O-N 3.01Å; D490-I492 VanDerWaalsContact C-N 3.34Å; I492-L519 HydrophobicContact CG2-CD2 4.44Å; I492-V524 HydrophobicContact CG2-CG2 3.74Å
493V77.6Confident86.8Confident52 Ų5250.8 Ų50.832%0.31526%0.259SS..Hα-helixtrans-86.4-44.1-174.3177.90000112.2E489 V524E489-V493 WeakPolarHBondContact O-CG2 3.47Å; E489-V493 PolarHBondContact O-N 3Å; V493-V524 HydrophobicContact CG2-CG2 4.37Å
494N76.3Confident86.8Confident112 Ų11250.9 Ų50.960%0.59926%0.259SS*.Hα-helixtrans-94.4-16.6-167.1-60.3-48.2000114.3D490D490-N494 VanDerWaalsContact O-CB 3.26Å; D490-N494 WeakPolarHBondContact O-CB 2.92Å; D490-N494 PolarHBondContact O-N 2.73Å; D490-N494 PolarHBondContact O-ND2 3.16Å; D490-N494 VanDerWaalsContact O-ND2 3.13Å
495R84.2Confident86.8Confident80 Ų8050.8 Ų50.830%0.30226%0.259SS..  trans-90.7117.3179.6-65.2-170.7-178.1-123.421110.9D458 M466 A491D458-R495 VanDerWaalsContact O-CZ 3.26Å; D458-R495 PolarHBondContact O-NH1 3.06Å; D458-R495 IonicContact OD2-CZ 2.73Å; D458-R495 IonicContact OD2-NE 3.9Å; D458-R495 PolarHBondContact OD2-NE 3.41Å; D458-R495 IonicContact OD2-NH2 3.55Å; D458-R495 PolarHBondContact OD2-NH2 3.49Å; M466-R495 HydrophobicContact CE-CB 3.73Å; M466-R495 HydrophobicContact SD-CB 3.75Å; M466-R495 HydrophobicContact SD-CG 4.37Å; A491-R495 WeakPolarHBondContact O-CB 3.42Å
496V88.1Confident86.7Confident38 Ų3847.5 Ų47.523%0.2324%0.236CC..  trans-116.8156.8178.7-65.90000110.6Q460 G500 R501 T502Q460-V496 PolarHBondContact NE2-O 2.87Å; V496-G500 WeakPolarHBondContact CG1-O 3.28Å; V496-R501 WeakPolarHBondContact CA-O 3.26Å; V496-T502 HydrophobicContact CG1-CG2 3.84Å
497E88.8Confident86.9Confident6 Ų641.4 Ų41.43%0.02821%0.213CC..  trans-78.9179.9168.259.575-122.200112A463 W465 E499 G500 R501A463-E497 CarbonylContact O-C 3.6Å; W465-E497 HydrophobicContact CD2-CB 4.45Å; W465-E497 HydrophobicContact CG-CB 4.16Å; W465-E497 HydrophobicContact CZ2-CG 4.38Å; E497-E499 PolarHBondContact O-N 2.89Å; E497-E499 VanDerWaalsContact O-N 3.11Å; E497-E499 WeakPolarHBondContact OE1-CA 3.46Å; E497-E499 VanDerWaalsContact OE1-CB 3.26Å; E497-E499 WeakPolarHBondContact OE1-CB 3.31Å; E497-E499 PolarHBondContact OE1-N 2.89Å; E497-E499 PolarHBondContact OE2-N 3.07Å; E497-G500 WeakPolarHBondContact O-CA 3.19Å; E497-G500 PolarHBondContact O-N 3.34Å; E497-G500 PolarHBondContact OE1-N 3.18Å; E497-R501 VanDerWaalsContact CD-NE 3.31Å; E497-R501 HydrophobicContact CG-CB 3.99Å; E497-R501 PolarHBondContact N-O 2.94Å; E497-R501 VanDerWaalsContact N-O 3.1Å; E497-R501 WeakPolarHBondContact OE1-CA 3.31Å; E497-R501 WeakPolarHBondContact OE1-CB 3.35Å; E497-R501 VanDerWaalsContact OE1-CG 3.32Å; E497-R501 WeakPolarHBondContact OE1-CG 3.37Å; E497-R501 IonicContact OE1-CZ 3.06Å; E497-R501 PolarHBondContact OE1-N 3.5Å; E497-R501 IonicContact OE1-NE 3.69Å; E497-R501 PolarHBondContact OE1-NE 3.46Å; E497-R501 IonicContact OE1-NH2 2.69Å; E497-R501 IonicContact OE2-CZ 2.74Å; E497-R501 IonicContact OE2-NE 3.59Å; E497-R501 IonicContact OE2-NH2 3.27Å; E497-R501 PolarHBondContact OE2-NH2 3.41Å
498E86.8Confident87.1Confident142 Ų14240.5 Ų40.566%0.66421%0.208SC*.THydrogen-bonded Turntrans-55.4-29.4-170.5-173.6174.9-178.500114.5A463 G500 Y531A463-E498 HydrophobicContact CB-CB 4.16Å; A463-E498 WeakPolarHBondContact CB-OE2 3.47Å; A463-E498 WeakPolarHBondContact O-CB 3.44Å; A463-E498 PolarHBondContact O-N 2.82Å; E498-G500 VanDerWaalsContact C-N 3.33Å; E498-Y531 VanDerWaalsContact O-CD2 3.32Å; E498-Y531 WeakPolarHBondContact O-CD2 3.28Å; E498-Y531 WeakPolarHBondContact O-CE2 3.47Å
499E82.1Confident87.3Confident75 Ų7538.2 Ų38.235%0.3519%0.193SC..THydrogen-bonded Turntrans-91.77.3175.5-53.3-175.615700113.7F312 E497 R501 D530 Y531F312-E499 WeakPolarHBondContact CE1-OE1 3.48Å; F312-E499 WeakPolarHBondContact CE1-OE2 3.3Å; F312-E499 WeakPolarHBondContact CZ-OE1 3.45Å; F312-E499 WeakPolarHBondContact CZ-OE2 3.5Å; E497-E499 PolarHBondContact O-N 2.89Å; E497-E499 VanDerWaalsContact O-N 3.11Å; E497-E499 WeakPolarHBondContact OE1-CA 3.46Å; E497-E499 VanDerWaalsContact OE1-CB 3.26Å; E497-E499 WeakPolarHBondContact OE1-CB 3.31Å; E497-E499 PolarHBondContact OE1-N 2.89Å; E497-E499 PolarHBondContact OE2-N 3.07Å; E499-R501 IonicContact OE2-CZ 3.33Å; E499-R501 IonicContact OE2-NE 2.83Å; E499-R501 PolarHBondContact OE2-NE 3.2Å; E499-R501 IonicContact OE2-NH1 3.65Å; E499-R501 PolarHBondContact OE2-NH1 2.97Å; E499-R501 IonicContact OE2-NH2 3.19Å; E499-R501 PolarHBondContact OE2-NH2 2.96Å; E499-D530 WeakPolarHBondContact O-CB 3.3Å; E499-Y531 WeakPolarHBondContact O-CB 3.35Å; E499-Y531 WeakPolarHBondContact O-CD2 3.46Å; E499-Y531 PolarHBondContact O-N 3.31Å
500G89.9Confident87.5Confident3 Ų336.3 Ų36.33%0.03118%0.18CC..  trans81.811.7-179.400000113.7V496 E497 E498V496-G500 WeakPolarHBondContact CG1-O 3.28Å; E497-G500 WeakPolarHBondContact O-CA 3.19Å; E497-G500 PolarHBondContact O-N 3.34Å; E497-G500 PolarHBondContact OE1-N 3.18Å; E498-G500 VanDerWaalsContact C-N 3.33Å
501R91.3Very high87.9Confident12 Ų1231.7 Ų31.75%0.04516%0.161CC..  trans-79.9136.9-179.5-62.5172.2-66.8-167.8-6.9111.3F312 H469 V496 E497 E499 H505 I506 D530F312-R501 VanDerWaalsContact CD2-NH1 3.29Å; F312-R501 VanDerWaalsContact CE1-CZ 3.46Å; H469-R501 PolarHBondContact NE2-O 3.39Å; V496-R501 WeakPolarHBondContact CA-O 3.26Å; E497-R501 VanDerWaalsContact CD-NE 3.31Å; E497-R501 HydrophobicContact CG-CB 3.99Å; E497-R501 PolarHBondContact N-O 2.94Å; E497-R501 VanDerWaalsContact N-O 3.1Å; E497-R501 WeakPolarHBondContact OE1-CA 3.31Å; E497-R501 WeakPolarHBondContact OE1-CB 3.35Å; E497-R501 VanDerWaalsContact OE1-CG 3.32Å; E497-R501 WeakPolarHBondContact OE1-CG 3.37Å; E497-R501 IonicContact OE1-CZ 3.06Å; E497-R501 PolarHBondContact OE1-N 3.5Å; E497-R501 IonicContact OE1-NE 3.69Å; E497-R501 PolarHBondContact OE1-NE 3.46Å; E497-R501 IonicContact OE1-NH2 2.69Å; E497-R501 IonicContact OE2-CZ 2.74Å; E497-R501 IonicContact OE2-NE 3.59Å; E497-R501 IonicContact OE2-NH2 3.27Å; E497-R501 PolarHBondContact OE2-NH2 3.41Å; E499-R501 IonicContact OE2-CZ 3.33Å; E499-R501 IonicContact OE2-NE 2.83Å; E499-R501 PolarHBondContact OE2-NE 3.2Å; E499-R501 IonicContact OE2-NH1 3.65Å; E499-R501 PolarHBondContact OE2-NH1 2.97Å; E499-R501 IonicContact OE2-NH2 3.19Å; E499-R501 PolarHBondContact OE2-NH2 2.96Å; R501-H505 HydrophobicContact CB-CB 3.83Å; R501-H505 HydrophobicContact CG-CB 4.17Å; R501-I506 HydrophobicContact CB-CD1 4.06Å; R501-D530 HydrophobicContact CG-CB 3.7Å
502T92.8Very high88.4Confident7 Ų733.9 Ų33.94%0.04317%0.17CC..  trans-86.7167.1171.971.40000110.9V496 L504 H505 I506V496-T502 HydrophobicContact CG1-CG2 3.84Å; T502-L504 PolarHBondContact O-N 2.79Å; T502-L504 VanDerWaalsContact O-N 3.1Å; T502-L504 PolarHBondContact OG1-N 2.85Å; T502-H505 PolarHBondContact N-ND1 3.08Å; T502-H505 WeakPolarHBondContact O-CB 3.39Å; T502-H505 PolarHBondContact O-N 3.36Å; T502-H505 PolarHBondContact OG1-N 2.96Å; T502-H505 PolarHBondContact OG1-ND1 3.41Å; T502-I506 PolarHBondContact O-N 3.26Å
503P93.8Very high89Confident0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-56.8-29.2173.4-25.935.2000113.5M466 L468 H469 I506 A507 L519M466-P503 HydrophobicContact CE-CG 4.07Å; L468-P503 HydrophobicContact CD2-CB 4.06Å; L468-P503 HydrophobicContact CD2-CG 3.76Å; L468-P503 HydrophobicContact CG-CB 4.04Å; L468-P503 HydrophobicContact CG-CG 4.04Å; H469-P503 WeakPolarHBondContact NE2-CD 3.41Å; P503-I506 PolarHBondContact O-N 3.25Å; P503-A507 WeakPolarHBondContact O-CB 3.43Å; P503-A507 PolarHBondContact O-N 3.43Å; P503-L519 HydrophobicContact CB-CD1 3.99Å; P503-L519 HydrophobicContact CB-CD2 4.13Å
504L94.8Very high89.8Confident1 Ų136.2 Ų36.21%0.00518%0.181CC..Hα-helixtrans-68.6-42.2176.5-178.564000111.6T502 I506 A507 C508 A516 L519 M520 V524 P526 A536T502-L504 PolarHBondContact O-N 2.79Å; T502-L504 VanDerWaalsContact O-N 3.1Å; T502-L504 PolarHBondContact OG1-N 2.85Å; L504-I506 VanDerWaalsContact C-N 3.31Å; L504-I506 PolarHBondContact O-N 2.83Å; L504-A507 PolarHBondContact O-N 3.4Å; L504-C508 VanDerWaalsContact O-CB 3.25Å; L504-C508 WeakPolarHBondContact O-CB 3.46Å; L504-C508 PolarHBondContact O-N 3.47Å; L504-C508 PolarHBondContact O-SG 3.46Å; L504-A516 HydrophobicContact CD1-CB 4.05Å; L504-L519 HydrophobicContact CB-CD1 4.34Å; L504-L519 HydrophobicContact CD1-CB 4.26Å; L504-M520 HydrophobicContact CD1-CG 3.99Å; L504-M520 HydrophobicContact CD2-CG 4.03Å; L504-V524 HydrophobicContact CB-CG1 3.89Å; L504-V524 HydrophobicContact CD2-CB 4.47Å; L504-V524 HydrophobicContact CD2-CG1 3.78Å; L504-V524 HydrophobicContact CG-CG1 4.49Å; L504-P526 HydrophobicContact CD2-CB 4.28Å; L504-A536 HydrophobicContact CD2-CB 4.44Å; L504-A536 HydrophobicContact CG-CB 4.13Å
505H93.4Very high90.7Very high2 Ų231 Ų311%0.00915%0.153CC..Hα-helixtrans-55.4-48.7173.8-72.191.5000111R501 T502 C508 S509 A528 S534 A536 L539R501-H505 HydrophobicContact CB-CB 3.83Å; R501-H505 HydrophobicContact CG-CB 4.17Å; T502-H505 PolarHBondContact N-ND1 3.08Å; T502-H505 WeakPolarHBondContact O-CB 3.39Å; T502-H505 PolarHBondContact O-N 3.36Å; T502-H505 PolarHBondContact OG1-N 2.96Å; T502-H505 PolarHBondContact OG1-ND1 3.41Å; H505-C508 PolarHBondContact O-N 2.99Å; H505-S509 WeakPolarHBondContact O-CB 3.48Å; H505-S509 PolarHBondContact O-N 2.92Å; H505-A528 PolarHBondContact CE1-O 3.25Å; H505-A528 PolarHBondContact NE2-O 2.98Å; H505-S534 PolarHBondContact NE2-O 2.88Å; H505-A536 PolarHBondContact CD2-N 3.05Å; H505-A536 VanDerWaalsContact CD2-N 3.32Å; H505-A536 PolarHBondContact NE2-N 3.3Å; H505-L539 HydrophobicContact CB-CD1 3.79Å
506I90.8Very high91.2Very high3 Ų327.2 Ų27.22%0.01514%0.139CC..Hα-helixtrans-63.1-50.8179.5-55.6-55.6000110.8W465 C472 Q473 R501 T502 P503 L504 C508 S509 Y510W465-I506 HydrophobicContact CH2-CD1 4.05Å; W465-I506 HydrophobicContact CH2-CG1 4.46Å; W465-I506 HydrophobicContact CZ2-CD1 4.49Å; C472-I506 HydrophobicContact CB-CB 4.45Å; C472-I506 HydrophobicContact CB-CG2 4.28Å; Q473-I506 HydrophobicContact CB-CG2 3.68Å; R501-I506 HydrophobicContact CB-CD1 4.06Å; T502-I506 PolarHBondContact O-N 3.26Å; P503-I506 PolarHBondContact O-N 3.25Å; L504-I506 VanDerWaalsContact C-N 3.31Å; L504-I506 PolarHBondContact O-N 2.83Å; I506-C508 VanDerWaalsContact C-N 3.26Å; I506-C508 PolarHBondContact O-N 3.29Å; I506-S509 PolarHBondContact O-N 3.43Å; I506-Y510 HydrophobicContact CG2-CD2 3.99Å; I506-Y510 HydrophobicContact CG2-CE2 4.2Å; I506-Y510 WeakPolarHBondContact O-CD2 3.38Å; I506-Y510 PolarHBondContact O-N 3.44Å
507A94.3Very high91.5Very high0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-58-39.3178.900000112.7C472 P503 L504 G511 H512 I515 L519C472-A507 HydrophobicContact CB-CB 4.21Å; P503-A507 WeakPolarHBondContact O-CB 3.43Å; P503-A507 PolarHBondContact O-N 3.43Å; L504-A507 PolarHBondContact O-N 3.4Å; A507-G511 PolarHBondContact O-N 3.25Å; A507-G511 VanDerWaalsContact O-N 3.09Å; A507-H512 PolarHBondContact O-N 2.87Å; A507-I515 HydrophobicContact CB-CB 4.33Å; A507-I515 HydrophobicContact CB-CG2 3.61Å; A507-L519 HydrophobicContact CB-CD1 4.05Å
508C93.4Very high91.7Very high0 Ų032.2 Ų32.20%016%0.159CC..Hα-helixtrans-70.9-40.8178.1-74.30000112.7L504 H505 I506 Y510 G511 A536 A540 H545 I548L504-C508 VanDerWaalsContact O-CB 3.25Å; L504-C508 WeakPolarHBondContact O-CB 3.46Å; L504-C508 PolarHBondContact O-N 3.47Å; L504-C508 PolarHBondContact O-SG 3.46Å; H505-C508 PolarHBondContact O-N 2.99Å; I506-C508 VanDerWaalsContact C-N 3.26Å; I506-C508 PolarHBondContact O-N 3.29Å; C508-Y510 VanDerWaalsContact C-N 3.32Å; C508-Y510 PolarHBondContact O-N 2.85Å; C508-G511 PolarHBondContact O-N 2.99Å; C508-A536 HydrophobicContact CB-CB 4Å; C508-A540 HydrophobicContact CB-CB 4.3Å; C508-H545 PolarHBondContact O-CD2 3.29Å; C508-I548 HydrophobicContact CB-CG2 3.82Å; C508-I548 WeakPolarHBondContact SG-CG2 3.31Å
509S90.2Very high92Very high22 Ų2225.4 Ų25.415%0.15413%0.128CC..Hα-helixtrans-63.3-35.9176.4-172.10000112.6H505 I506 Q543 H545H505-S509 WeakPolarHBondContact O-CB 3.48Å; H505-S509 PolarHBondContact O-N 2.92Å; I506-S509 PolarHBondContact O-N 3.43Å; S509-Q543 WeakPolarHBondContact O-CG 3.39Å; S509-H545 PolarHBondContact O-CD2 2.78Å; S509-H545 VanDerWaalsContact O-CD2 3.25Å; S509-H545 PolarHBondContact O-NE2 3.28Å
510Y85Confident92.4Very high86 Ų8623.3 Ų23.334%0.33712%0.118SC..THydrogen-bonded Turntrans-93.2-1179.1-74-90000114.2Q473 I506 C508 H512Q473-Y510 HydrophobicContact CB-CD2 4.39Å; Q473-Y510 HydrophobicContact CB-CE2 4.29Å; Q473-Y510 HydrophobicContact CG-CD1 4.36Å; Q473-Y510 HydrophobicContact CG-CD2 4.1Å; Q473-Y510 HydrophobicContact CG-CE1 3.97Å; Q473-Y510 HydrophobicContact CG-CE2 3.69Å; Q473-Y510 HydrophobicContact CG-CG 4.43Å; I506-Y510 HydrophobicContact CG2-CD2 3.99Å; I506-Y510 HydrophobicContact CG2-CE2 4.2Å; I506-Y510 WeakPolarHBondContact O-CD2 3.38Å; I506-Y510 PolarHBondContact O-N 3.44Å; C508-Y510 VanDerWaalsContact C-N 3.32Å; C508-Y510 PolarHBondContact O-N 2.85Å; Y510-H512 WeakPolarHBondContact CB-NE2 3.23Å
511G88.3Confident92.4Very high20 Ų2026.3 Ų26.321%0.20615%0.149CC..THydrogen-bonded Turntrans84.115.9170.600000115.7A507 C508 V513 H545A507-G511 PolarHBondContact O-N 3.25Å; A507-G511 VanDerWaalsContact O-N 3.09Å; C508-G511 PolarHBondContact O-N 2.99Å; G511-V513 PolarHBondContact O-N 3.49Å; G511-H545 VanDerWaalsContact CA-CD2 3.49Å; G511-H545 WeakPolarHBondContact CA-CD2 3.38Å; G511-H545 VanDerWaalsContact CA-CG 3.44Å; G511-H545 PolarHBondContact N-CD2 3.31Å; G511-H545 PolarHBondContact N-NE2 2.75Å
512H92.7Very high92.2Very high50 Ų5029.5 Ų29.523%0.23116%0.161CC..  trans-83.984.9-172.7-62.3-58.5000112.8C472 Q473 G475 A507 Y510 N514 I515 A516C472-H512 PolarHBondContact O-CD2 3.43Å; Q473-H512 PolarHBondContact O-NE2 2.97Å; G475-H512 WeakPolarHBondContact CA-CE1 3.04Å; G475-H512 WeakPolarHBondContact CA-ND1 3.44Å; G475-H512 WeakPolarHBondContact CA-NE2 3.49Å; G475-H512 PolarHBondContact N-NE2 2.99Å; A507-H512 PolarHBondContact O-N 2.87Å; Y510-H512 WeakPolarHBondContact CB-NE2 3.23Å; H512-N514 PolarHBondContact O-N 2.77Å; H512-I515 HydrophobicContact CB-CB 4.05Å; H512-I515 HydrophobicContact CB-CD1 3.93Å; H512-I515 HydrophobicContact CB-CG1 4.4Å; H512-I515 PolarHBondContact O-N 2.99Å; H512-A516 PolarHBondContact O-N 2.93Å
513V94.5Very high91.6Very high22 Ų2232.1 Ų32.113%0.13319%0.19CC..Hα-helixtrans-57.5-44.8-170.6-1770000113.9G511 A516 K517 R547 I548 L551G511-V513 PolarHBondContact O-N 3.49Å; V513-A516 PolarHBondContact O-N 3.39Å; V513-K517 WeakPolarHBondContact O-CG 3.33Å; V513-K517 PolarHBondContact O-N 3.17Å; V513-R547 HydrophobicContact CG2-CB 3.58Å; V513-I548 VanDerWaalsContact CA-CD1 3.46Å; V513-I548 HydrophobicContact CB-CD1 4.18Å; V513-I548 HydrophobicContact CG2-CD1 3.86Å; V513-I548 HydrophobicContact CG2-CG1 4.11Å; V513-L551 HydrophobicContact CG1-CD2 4.19Å
514N95.3Very high91.2Very high79 Ų7932.6 Ų32.642%0.42219%0.192SC..Hα-helixtrans-70.6-37.2-177.5-66.9-14.4000111.8E477 H512 K517 L518E477-N514 HydrophobicContact CG-CB 4.3Å; E477-N514 WeakPolarHBondContact OE2-CB 3.45Å; E477-N514 PolarHBondContact OE2-ND2 3.25Å; H512-N514 PolarHBondContact O-N 2.77Å; N514-K517 WeakPolarHBondContact O-CB 3.3Å; N514-K517 PolarHBondContact O-N 3.49Å; N514-L518 VanDerWaalsContact O-CG 3.29Å; N514-L518 WeakPolarHBondContact O-CG 3.5Å; N514-L518 PolarHBondContact O-N 3.45Å
515I94.5Very high90.9Very high3 Ų336.4 Ų36.42%0.01521%0.212CC..Hα-helixtrans-65.1-46.1175.4-70.8165000110.1C472 E477 V480 A507 H512 K517 L518 L519C472-I515 HydrophobicContact CB-CG2 4.24Å; C472-I515 VanDerWaalsContact SG-CG2 3.57Å; E477-I515 HydrophobicContact CB-CD1 4.47Å; E477-I515 HydrophobicContact CB-CG1 4.15Å; E477-I515 HydrophobicContact CG-CG1 4.28Å; V480-I515 HydrophobicContact CB-CG1 4.36Å; V480-I515 HydrophobicContact CG1-CG1 4.49Å; V480-I515 HydrophobicContact CG1-CG2 4.2Å; V480-I515 HydrophobicContact CG2-CD1 3.99Å; V480-I515 HydrophobicContact CG2-CG1 4.02Å; V480-I515 HydrophobicContact CG2-CG2 4.14Å; A507-I515 HydrophobicContact CB-CB 4.33Å; A507-I515 HydrophobicContact CB-CG2 3.61Å; H512-I515 HydrophobicContact CB-CB 4.05Å; H512-I515 HydrophobicContact CB-CD1 3.93Å; H512-I515 HydrophobicContact CB-CG1 4.4Å; H512-I515 PolarHBondContact O-N 2.99Å; I515-K517 VanDerWaalsContact C-N 3.3Å; I515-K517 PolarHBondContact O-N 3.36Å; I515-L518 WeakPolarHBondContact O-CB 3.36Å; I515-L518 PolarHBondContact O-N 3.07Å; I515-L519 HydrophobicContact CG2-CD1 3.84Å; I515-L519 HydrophobicContact CG2-CG 4.35Å; I515-L519 WeakPolarHBondContact O-CG 3.46Å; I515-L519 PolarHBondContact O-N 2.99Å
516A94.6Very high90.7Very high0 Ų037.3 Ų37.30%022%0.219CC..Hα-helixtrans-57.7-42.3175.300000112L504 H512 V513 L518 L519 M520 I548 L551L504-A516 HydrophobicContact CD1-CB 4.05Å; H512-A516 PolarHBondContact O-N 2.93Å; V513-A516 PolarHBondContact O-N 3.39Å; A516-L518 VanDerWaalsContact C-N 3.35Å; A516-L518 PolarHBondContact O-N 3.39Å; A516-L519 PolarHBondContact O-N 3.38Å; A516-M520 WeakPolarHBondContact O-CE 3.5Å; A516-M520 WeakPolarHBondContact O-CG 3.37Å; A516-M520 PolarHBondContact O-N 3.09Å; A516-I548 HydrophobicContact CB-CD1 3.76Å; A516-L551 HydrophobicContact CB-CD2 4.02Å
517K94.1Very high90.8Very high112 Ų11238.9 Ų38.949%0.48723%0.227SC..Hα-helixtrans-58.6-44.4173.2-75.5178.7179.7179.70112.5V513 N514 I515 G521 L551V513-K517 WeakPolarHBondContact O-CG 3.33Å; V513-K517 PolarHBondContact O-N 3.17Å; N514-K517 WeakPolarHBondContact O-CB 3.3Å; N514-K517 PolarHBondContact O-N 3.49Å; I515-K517 VanDerWaalsContact C-N 3.3Å; I515-K517 PolarHBondContact O-N 3.36Å; K517-G521 PolarHBondContact O-N 3.07Å; K517-G521 VanDerWaalsContact O-N 3.12Å; K517-L551 HydrophobicContact CB-CD2 4.46Å; K517-L551 HydrophobicContact CD-CD1 4.37Å; K517-L551 HydrophobicContact CG-CD1 3.65Å; K517-L551 HydrophobicContact CG-CD2 3.47Å; K517-L551 VanDerWaalsContact CG-CD2 3.47Å; K517-L551 HydrophobicContact CG-CG 4.2Å
518L93.6Very high90.6Very high37 Ų3740.2 Ų40.219%0.19424%0.238CC..Hα-helixtrans-64-45.7-179.7-71.3167.4000111.6E477 R481 L484 N514 I515 A516 G521E477-L518 HydrophobicContact CG-CD1 3.78Å; R481-L518 HydrophobicContact CG-CD1 3.68Å; R481-L518 HydrophobicContact CG-CD2 4.46Å; R481-L518 VanDerWaalsContact CZ-CD2 3.5Å; R481-L518 VanDerWaalsContact NH1-CD2 3.3Å; L484-L518 HydrophobicContact CD1-CB 4.34Å; N514-L518 VanDerWaalsContact O-CG 3.29Å; N514-L518 WeakPolarHBondContact O-CG 3.5Å; N514-L518 PolarHBondContact O-N 3.45Å; I515-L518 WeakPolarHBondContact O-CB 3.36Å; I515-L518 PolarHBondContact O-N 3.07Å; A516-L518 VanDerWaalsContact C-N 3.35Å; A516-L518 PolarHBondContact O-N 3.39Å; L518-G521 PolarHBondContact O-N 2.78Å
519L93.1Very high90.7Very high0 Ų043.2 Ų43.20%026%0.257CS..Hα-helixtrans-64.5-45.2-179.6-68.4169.7000111.9L468 L484 I492 P503 L504 A507 I515 A516 G521 R522 V524L468-L519 HydrophobicContact CD2-CD2 4.35Å; L484-L519 HydrophobicContact CD1-CD2 4.15Å; L484-L519 HydrophobicContact CD2-CD2 4Å; I492-L519 HydrophobicContact CG2-CD2 4.44Å; P503-L519 HydrophobicContact CB-CD1 3.99Å; P503-L519 HydrophobicContact CB-CD2 4.13Å; L504-L519 HydrophobicContact CB-CD1 4.34Å; L504-L519 HydrophobicContact CD1-CB 4.26Å; A507-L519 HydrophobicContact CB-CD1 4.05Å; I515-L519 HydrophobicContact CG2-CD1 3.84Å; I515-L519 HydrophobicContact CG2-CG 4.35Å; I515-L519 WeakPolarHBondContact O-CG 3.46Å; I515-L519 PolarHBondContact O-N 2.99Å; A516-L519 PolarHBondContact O-N 3.38Å; L519-G521 PolarHBondContact O-N 3.05Å; L519-R522 PolarHBondContact O-N 3.31Å; L519-V524 WeakPolarHBondContact O-CG2 3.46Å
520M90.2Very high90.8Very high30 Ų3042.6 Ų42.615%0.14825%0.251CS..Hα-helixtrans-64.3-26.7175.1-69.5-174.5-71.800113L504 A516 R522 L551 L552L504-M520 HydrophobicContact CD1-CG 3.99Å; L504-M520 HydrophobicContact CD2-CG 4.03Å; A516-M520 WeakPolarHBondContact O-CE 3.5Å; A516-M520 WeakPolarHBondContact O-CG 3.37Å; A516-M520 PolarHBondContact O-N 3.09Å; M520-R522 PolarHBondContact O-N 3.17Å; M520-L551 HydrophobicContact CE-CD1 3.78Å; M520-L551 HydrophobicContact CE-CD2 3.39Å; M520-L551 HydrophobicContact CE-CG 3.36Å; M520-L552 HydrophobicContact SD-CD2 3.8Å
521G89.2Confident91.1Very high66 Ų6646 Ų4668%0.6827%0.265SS*.THydrogen-bonded Turntrans-69.2-9.317300000114.2K517 L518 L519K517-G521 PolarHBondContact O-N 3.07Å; K517-G521 VanDerWaalsContact O-N 3.12Å; L518-G521 PolarHBondContact O-N 2.78Å; L519-G521 PolarHBondContact O-N 3.05Å
522R87.3Confident91.2Very high80 Ų8047 Ų4730%0.30227%0.269SS..THydrogen-bonded Turntrans-108.422.4179.8-62-58.9-166.182.91.6113.3L484 L519 M520 V524L484-R522 PolarHBondContact O-NH1 2.79Å; L484-R522 PolarHBondContact O-NH2 3.21Å; L519-R522 PolarHBondContact O-N 3.31Å; M520-R522 PolarHBondContact O-N 3.17Å; R522-V524 VanDerWaalsContact C-N 3.34Å; R522-V524 PolarHBondContact O-N 3.46Å
523G80.4Confident91.2Very high62 Ų6250 Ų5064%0.63928%0.282SS*.THydrogen-bonded Turntrans78.110.9173.900000115.7D525G523-D525 PolarHBondContact O-N 2.79Å
524V86.6Confident91.1Very high9 Ų949.5 Ų49.56%0.05528%0.279CS..  trans-64.4125.7173.6-179.60000109.8I492 V493 L504 L519 R522 P526I492-V524 HydrophobicContact CG2-CG2 3.74Å; V493-V524 HydrophobicContact CG2-CG2 4.37Å; L504-V524 HydrophobicContact CB-CG1 3.89Å; L504-V524 HydrophobicContact CD2-CB 4.47Å; L504-V524 HydrophobicContact CD2-CG1 3.78Å; L504-V524 HydrophobicContact CG-CG1 4.49Å; L519-V524 WeakPolarHBondContact O-CG2 3.46Å; R522-V524 VanDerWaalsContact C-N 3.34Å; R522-V524 PolarHBondContact O-N 3.46Å; V524-P526 VanDerWaalsContact O-CD 3.25Å; V524-P526 WeakPolarHBondContact O-CD 3.47Å
525D87.8Confident91.2Very high81 Ų8145.8 Ų45.843%0.43326%0.259SS..  trans-67.2115.3175.4-179.19.3000110.4G523 N527 A528G523-D525 PolarHBondContact O-N 2.79Å; D525-N527 PolarHBondContact O-N 2.91Å; D525-N527 WeakPolarHBondContact OD1-CB 3.32Å; D525-N527 PolarHBondContact OD1-N 3.27Å; D525-N527 PolarHBondContact OD1-ND2 3.32Å; D525-A528 HydrophobicContact CB-CB 4.35Å; D525-A528 WeakPolarHBondContact O-CB 3.47Å; D525-A528 PolarHBondContact O-N 3Å
526P89.1Confident91.2Very high21 Ų2145.6 Ų45.614%0.13626%0.258CS..THydrogen-bonded Turntrans-70.7-11.2177.632.2-37.8000113.6L504 V524 L552 V557L504-P526 HydrophobicContact CD2-CB 4.28Å; V524-P526 VanDerWaalsContact O-CD 3.25Å; V524-P526 WeakPolarHBondContact O-CD 3.47Å; P526-L552 HydrophobicContact CB-CD2 4.18Å; P526-V557 HydrophobicContact CB-CG2 3.64Å; P526-V557 HydrophobicContact CG-CG2 3.66Å
527N91.8Very high91.3Very high36 Ų3645.6 Ų45.619%0.19326%0.258CS..THydrogen-bonded Turntrans-96.8-0.6175.4-56-70.8000113.4D525 T529 K558 I561D525-N527 PolarHBondContact O-N 2.91Å; D525-N527 WeakPolarHBondContact OD1-CB 3.32Å; D525-N527 PolarHBondContact OD1-N 3.27Å; D525-N527 PolarHBondContact OD1-ND2 3.32Å; N527-T529 PolarHBondContact O-N 3.08Å; N527-K558 PolarHBondContact OD1-N 3.48Å; N527-I561 HydrophobicContact CB-CD1 3.89Å
528A91.6Very high91.4Very high29 Ų2940.3 Ų40.324%0.2424%0.235CC..  trans-54.8141.1172.200000109.5H505 D525H505-A528 PolarHBondContact CE1-O 3.25Å; H505-A528 PolarHBondContact NE2-O 2.98Å; D525-A528 HydrophobicContact CB-CB 4.35Å; D525-A528 WeakPolarHBondContact O-CB 3.47Å; D525-A528 PolarHBondContact O-N 3Å
529T94.1Very high91.3Very high62 Ų6239.6 Ų39.638%0.3823%0.231SC..BIsolated β-bridgetrans-111.3144.9-179.956.70000110.6N527 S534 T535 I561N527-T529 PolarHBondContact O-N 3.08Å; T529-S534 WeakPolarHBondContact CA-O 3.39Å; T529-T535 HydrophobicContact CG2-CG2 3.77Å; T529-I561 HydrophobicContact CG2-CG2 4.2Å
530D92.8Very high91.5Very high9 Ų939.6 Ų39.65%0.04823%0.231CC..  trans-74.2-177.4164.57215.7000111.7E499 R501 S532 F533 S534E499-D530 WeakPolarHBondContact O-CB 3.3Å; R501-D530 HydrophobicContact CG-CB 3.7Å; D530-S532 VanDerWaalsContact CG-OG 3.32Å; D530-S532 PolarHBondContact O-N 3.24Å; D530-S532 VanDerWaalsContact OD1-CA 3.27Å; D530-S532 WeakPolarHBondContact OD1-CA 3.46Å; D530-S532 WeakPolarHBondContact OD1-CB 3.43Å; D530-S532 PolarHBondContact OD1-N 2.9Å; D530-S532 PolarHBondContact OD1-OG 3.48Å; D530-S532 PolarHBondContact OD2-OG 3.14Å; D530-F533 WeakPolarHBondContact O-CA 3.27Å; D530-F533 PolarHBondContact O-N 3.22Å; D530-F533 PolarHBondContact OD1-N 2.94Å; D530-S534 PolarHBondContact N-O 3.4Å; D530-S534 WeakPolarHBondContact OD1-CB 3.26Å; D530-S534 PolarHBondContact OD1-N 3.19Å; D530-S534 WeakPolarHBondContact OD2-CB 3.47Å
531Y92.7Very high91.7Very high158 Ų15838.1 Ų38.162%0.6222%0.224SC*.THydrogen-bonded Turntrans-69.1-12.6179.8-62.6-28.1000114E498 E499 F533E498-Y531 VanDerWaalsContact O-CD2 3.32Å; E498-Y531 WeakPolarHBondContact O-CD2 3.28Å; E498-Y531 WeakPolarHBondContact O-CE2 3.47Å; E499-Y531 WeakPolarHBondContact O-CB 3.35Å; E499-Y531 WeakPolarHBondContact O-CD2 3.46Å; E499-Y531 PolarHBondContact O-N 3.31Å; Y531-F533 VanDerWaalsContact C-N 3.28Å
532S88.4Confident91.9Very high41 Ų4136.1 Ų36.129%0.28720%0.197SC..THydrogen-bonded Turntrans-89.27.6169.879.30000113D530 S534 I564D530-S532 VanDerWaalsContact CG-OG 3.32Å; D530-S532 PolarHBondContact O-N 3.24Å; D530-S532 VanDerWaalsContact OD1-CA 3.27Å; D530-S532 WeakPolarHBondContact OD1-CA 3.46Å; D530-S532 WeakPolarHBondContact OD1-CB 3.43Å; D530-S532 PolarHBondContact OD1-N 2.9Å; D530-S532 PolarHBondContact OD1-OG 3.48Å; D530-S532 PolarHBondContact OD2-OG 3.14Å; S532-S534 PolarHBondContact O-N 3.28Å; S532-S534 WeakPolarHBondContact OG-CB 3.29Å; S532-S534 PolarHBondContact OG-OG 3.1Å; S532-I564 WeakPolarHBondContact O-CB 3.45Å; S532-I564 PolarHBondContact O-N 3.1Å
533F93.6Very high92Very high114 Ų11436.5 Ų36.550%0.520%0.202SC..SBendtrans61.816.4-171.2-55.9-77.7000113.9D530 Y531 I564D530-F533 WeakPolarHBondContact O-CA 3.27Å; D530-F533 PolarHBondContact O-N 3.22Å; D530-F533 PolarHBondContact OD1-N 2.94Å; Y531-F533 VanDerWaalsContact C-N 3.28Å; F533-I564 HydrophobicContact CD2-CB 4.13Å; F533-I564 HydrophobicContact CD2-CG1 4.4Å
534S93.6Very high92.6Very high11 Ų1134.3 Ų34.38%0.07718%0.179CC..  trans-83.9133.6178.2-63.10000110.1H505 T529 D530 S532H505-S534 PolarHBondContact NE2-O 2.88Å; T529-S534 WeakPolarHBondContact CA-O 3.39Å; D530-S534 PolarHBondContact N-O 3.4Å; D530-S534 WeakPolarHBondContact OD1-CB 3.26Å; D530-S534 PolarHBondContact OD1-N 3.19Å; D530-S534 WeakPolarHBondContact OD2-CB 3.47Å; S532-S534 PolarHBondContact O-N 3.28Å; S532-S534 WeakPolarHBondContact OG-CB 3.29Å; S532-S534 PolarHBondContact OG-OG 3.1Å
535T95.4Very high92.9Very high0 Ų036.3 Ų36.30%019%0.188CC..BIsolated β-bridgetrans-92167.4172.568.70000111.3T529 L537 H538 L539 I561T529-T535 HydrophobicContact CG2-CG2 3.77Å; T535-L537 PolarHBondContact O-N 3.3Å; T535-L537 VanDerWaalsContact O-N 3.09Å; T535-L537 PolarHBondContact OG1-N 3.31Å; T535-H538 PolarHBondContact N-ND1 3.38Å; T535-H538 VanDerWaalsContact N-ND1 3.13Å; T535-H538 WeakPolarHBondContact O-CB 3.47Å; T535-H538 PolarHBondContact O-N 3.12Å; T535-H538 PolarHBondContact OG1-N 2.88Å; T535-H538 PolarHBondContact OG1-ND1 3.45Å; T535-L539 PolarHBondContact O-N 3.43Å; T535-I561 HydrophobicContact CG2-CB 4.16Å; T535-I561 HydrophobicContact CG2-CD1 3.83Å; T535-I561 HydrophobicContact CG2-CG2 3.78Å
536A94.9Very high93.2Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-54.2-30.1171.400000113.2L504 H505 C508 A540 L552L504-A536 HydrophobicContact CD2-CB 4.44Å; L504-A536 HydrophobicContact CG-CB 4.13Å; H505-A536 PolarHBondContact CD2-N 3.05Å; H505-A536 VanDerWaalsContact CD2-N 3.32Å; H505-A536 PolarHBondContact NE2-N 3.3Å; C508-A536 HydrophobicContact CB-CB 4Å; A536-A540 WeakPolarHBondContact O-CB 3.39Å; A536-A540 PolarHBondContact O-N 2.82Å; A536-L552 HydrophobicContact CB-CD1 4.38Å
537L96.8Very high93.5Very high0 Ų042.7 Ų42.70%021%0.208CC..Hα-helixtrans-69.7-36.7175-176.160.6000112.5T535 A541 V549 L552 L553 V557 P569 L585T535-L537 PolarHBondContact O-N 3.3Å; T535-L537 VanDerWaalsContact O-N 3.09Å; T535-L537 PolarHBondContact OG1-N 3.31Å; L537-A541 WeakPolarHBondContact O-CB 3.5Å; L537-A541 PolarHBondContact O-N 3.02Å; L537-V549 HydrophobicContact CD1-CB 4.4Å; L537-V549 HydrophobicContact CD1-CG1 4.01Å; L537-V549 HydrophobicContact CD1-CG2 4.2Å; L537-L552 HydrophobicContact CB-CD1 4.08Å; L537-L552 HydrophobicContact CD1-CB 4.3Å; L537-L552 HydrophobicContact CD1-CD1 4.08Å; L537-L553 HydrophobicContact CD2-CD2 4.24Å; L537-V557 HydrophobicContact CB-CG1 4.28Å; L537-V557 HydrophobicContact CD2-CG1 3.77Å; L537-P569 HydrophobicContact CB-CG 4.33Å; L537-P569 HydrophobicContact CD2-CB 4.36Å; L537-P569 HydrophobicContact CD2-CG 3.98Å; L537-P569 HydrophobicContact CG-CB 3.97Å; L537-P569 HydrophobicContact CG-CG 3.86Å; L537-L585 HydrophobicContact CD1-CD2 4.16Å; L537-L585 HydrophobicContact CD2-CD2 3.97Å; L537-L585 HydrophobicContact CG-CD2 4.3Å
538H95.8Very high93.6Very high0 Ų041 Ų410%020%0.199CC..Hα-helixtrans-60.3-52.3174.8-71.880.1000110.5T535 A540 A541 E542 I561 S567 P569 L572T535-H538 PolarHBondContact N-ND1 3.38Å; T535-H538 VanDerWaalsContact N-ND1 3.13Å; T535-H538 WeakPolarHBondContact O-CB 3.47Å; T535-H538 PolarHBondContact O-N 3.12Å; T535-H538 PolarHBondContact OG1-N 2.88Å; T535-H538 PolarHBondContact OG1-ND1 3.45Å; H538-A540 PolarHBondContact O-N 2.78Å; H538-A541 PolarHBondContact O-N 2.87Å; H538-E542 PolarHBondContact O-N 3.12Å; H538-I561 PolarHBondContact CE1-O 3.22Å; H538-I561 PolarHBondContact NE2-O 2.69Å; H538-I561 VanDerWaalsContact NE2-O 3.09Å; H538-S567 PolarHBondContact NE2-O 3.19Å; H538-S567 VanDerWaalsContact NE2-O 3.14Å; H538-P569 WeakPolarHBondContact NE2-CD 3.37Å; H538-L572 HydrophobicContact CB-CD1 3.9Å
539L93.3Very high93.8Very high22 Ų2239.6 Ų39.612%0.11519%0.187CC..Hα-helixtrans-62.5-44.1-178.2-57178.6000111.5H505 T535 A541 E542 Q543H505-L539 HydrophobicContact CB-CD1 3.79Å; T535-L539 PolarHBondContact O-N 3.43Å; L539-A541 VanDerWaalsContact C-N 3.33Å; L539-A541 PolarHBondContact O-N 3.38Å; L539-E542 PolarHBondContact O-N 2.75Å; L539-Q543 WeakPolarHBondContact O-CB 3.38Å; L539-Q543 VanDerWaalsContact O-CG 3.25Å; L539-Q543 WeakPolarHBondContact O-CG 3.25Å; L539-Q543 PolarHBondContact O-N 2.69Å
540A95.9Very high93.9Very high0 Ų043.9 Ų43.90%020%0.196CC..Hα-helixtrans-64.3-37.3176.400000112.9C508 A536 H538 G544 H545 I548 V549 L552C508-A540 HydrophobicContact CB-CB 4.3Å; A536-A540 WeakPolarHBondContact O-CB 3.39Å; A536-A540 PolarHBondContact O-N 2.82Å; H538-A540 PolarHBondContact O-N 2.78Å; A540-G544 PolarHBondContact O-N 2.8Å; A540-H545 PolarHBondContact O-N 3.27Å; A540-I548 HydrophobicContact CB-CB 4.09Å; A540-I548 HydrophobicContact CB-CG2 3.48Å; A540-I548 VanDerWaalsContact CB-CG2 3.48Å; A540-V549 HydrophobicContact CB-CG2 3.98Å; A540-L552 HydrophobicContact CB-CD1 4.41Å
541A95.6Very high93.9Very high0 Ų044.7 Ų44.70%020%0.2CC..Hα-helixtrans-69.9-41.7178.900000112L537 H538 L539 P569 A573 H578 I581L537-A541 WeakPolarHBondContact O-CB 3.5Å; L537-A541 PolarHBondContact O-N 3.02Å; H538-A541 PolarHBondContact O-N 2.87Å; L539-A541 VanDerWaalsContact C-N 3.33Å; L539-A541 PolarHBondContact O-N 3.38Å; A541-P569 HydrophobicContact CB-CB 3.9Å; A541-A573 HydrophobicContact CB-CB 4.28Å; A541-H578 PolarHBondContact O-CD2 2.76Å; A541-I581 HydrophobicContact CB-CG2 3.97Å
542E93.3Very high93.9Very high24 Ų2437.1 Ų37.111%0.11217%0.171CC..Hα-helixtrans-64.4-44.1176.1-173.6173-166.200112.1W310 H538 L539 G544 L572 K576 H578W310-E542 WeakPolarHBondContact CH2-OE1 3.45Å; H538-E542 PolarHBondContact O-N 3.12Å; L539-E542 PolarHBondContact O-N 2.75Å; E542-G544 VanDerWaalsContact C-N 3.29Å; E542-G544 PolarHBondContact O-N 2.92Å; E542-L572 HydrophobicContact CB-CB 4.03Å; E542-L572 HydrophobicContact CB-CD1 4.24Å; E542-L572 HydrophobicContact CG-CB 4.48Å; E542-K576 HydrophobicContact CG-CG 4.17Å; E542-K576 WeakPolarHBondContact OE1-CE 3.43Å; E542-K576 IonicContact OE1-NZ 2.82Å; E542-H578 PolarHBondContact O-CD2 3.29Å; E542-H578 PolarHBondContact O-NE2 3.27Å
543Q89.1Confident94.1Very high88 Ų8836 Ų3641%0.41116%0.161SC..Hα-helixtrans-80.7-5.3-176-60.8-61.7-2500114S509 L539 H545S509-Q543 WeakPolarHBondContact O-CG 3.39Å; L539-Q543 WeakPolarHBondContact O-CB 3.38Å; L539-Q543 VanDerWaalsContact O-CG 3.25Å; L539-Q543 WeakPolarHBondContact O-CG 3.25Å; L539-Q543 PolarHBondContact O-N 2.69Å; Q543-H545 WeakPolarHBondContact CB-NE2 3.48Å
544G92.2Very high93.7Very high15 Ų1535.3 Ų35.316%0.15517%0.167CC..THydrogen-bonded Turntrans8516.1174.400000115.3A540 E542 N546 H578 I581A540-G544 PolarHBondContact O-N 2.8Å; E542-G544 VanDerWaalsContact C-N 3.29Å; E542-G544 PolarHBondContact O-N 2.92Å; G544-N546 VanDerWaalsContact C-N 3.35Å; G544-N546 PolarHBondContact O-N 2.94Å; G544-N546 PolarHBondContact O-ND2 3.07Å; G544-N546 VanDerWaalsContact O-ND2 3.14Å; G544-H578 VanDerWaalsContact CA-CD2 3.5Å; G544-H578 WeakPolarHBondContact CA-CD2 3.41Å; G544-H578 VanDerWaalsContact CA-CE1 3.5Å; G544-H578 WeakPolarHBondContact CA-CE1 3.46Å; G544-H578 VanDerWaalsContact CA-NE2 3.31Å; G544-H578 WeakPolarHBondContact CA-NE2 3.48Å; G544-H578 PolarHBondContact N-NE2 2.99Å; G544-I581 VanDerWaalsContact C-CD1 3.43Å
545H94.1Very high92.8Very high52 Ų5241.2 Ų41.224%0.24119%0.191CC..  trans-80.674.3-174.6-63.4-46.8000113.1C508 S509 G511 A540 Q543 R547 I548 V549C508-H545 PolarHBondContact O-CD2 3.29Å; S509-H545 PolarHBondContact O-CD2 2.78Å; S509-H545 VanDerWaalsContact O-CD2 3.25Å; S509-H545 PolarHBondContact O-NE2 3.28Å; G511-H545 VanDerWaalsContact CA-CD2 3.49Å; G511-H545 WeakPolarHBondContact CA-CD2 3.38Å; G511-H545 VanDerWaalsContact CA-CG 3.44Å; G511-H545 PolarHBondContact N-CD2 3.31Å; G511-H545 PolarHBondContact N-NE2 2.75Å; A540-H545 PolarHBondContact O-N 3.27Å; Q543-H545 WeakPolarHBondContact CB-NE2 3.48Å; H545-R547 PolarHBondContact O-N 3.43Å; H545-R547 VanDerWaalsContact O-N 3.09Å; H545-I548 HydrophobicContact CB-CB 3.96Å; H545-I548 HydrophobicContact CB-CG1 3.93Å; H545-I548 WeakPolarHBondContact O-CB 3.5Å; H545-I548 PolarHBondContact O-N 2.94Å; H545-V549 PolarHBondContact O-N 3.21Å
546N93.8Very high91.6Very high59 Ų5950.1 Ų50.132%0.31623%0.233SC..Hα-helixtrans-50.7-37.3-177.1-81.3-92.5000114.7G544 R550 I581 Q584G544-N546 VanDerWaalsContact C-N 3.35Å; G544-N546 PolarHBondContact O-N 2.94Å; G544-N546 PolarHBondContact O-ND2 3.07Å; G544-N546 VanDerWaalsContact O-ND2 3.14Å; N546-R550 WeakPolarHBondContact O-CB 3.1Å; N546-R550 PolarHBondContact O-N 3.38Å; N546-R550 VanDerWaalsContact O-N 3.11Å; N546-I581 HydrophobicContact CB-CG1 4.46Å; N546-I581 WeakPolarHBondContact OD1-CG1 3.36Å; N546-I581 PolarHBondContact OD1-N 3.42Å; N546-Q584 PolarHBondContact O-OE1 3.26Å
547R94.4Very high91Very high177 Ų17750.7 Ų50.767%0.66824%0.236SC*.Hα-helixtrans-73.7-33.8-179.6-67.5173.873.21742.9112.1V513 H545 L551V513-R547 HydrophobicContact CG2-CB 3.58Å; H545-R547 PolarHBondContact O-N 3.43Å; H545-R547 VanDerWaalsContact O-N 3.09Å; R547-L551 WeakPolarHBondContact O-CB 3.15Å; R547-L551 PolarHBondContact O-N 2.91Å; R547-L551 VanDerWaalsContact O-N 3.15Å
548I95.4Very high90.7Very high0 Ų057.3 Ų57.30%027%0.265CS..Hα-helixtrans-69.9-47.9174.4-65.7-70.3000110C508 V513 A516 A540 H545 R550 L551 L552C508-I548 HydrophobicContact CB-CG2 3.82Å; C508-I548 WeakPolarHBondContact SG-CG2 3.31Å; V513-I548 VanDerWaalsContact CA-CD1 3.46Å; V513-I548 HydrophobicContact CB-CD1 4.18Å; V513-I548 HydrophobicContact CG2-CD1 3.86Å; V513-I548 HydrophobicContact CG2-CG1 4.11Å; A516-I548 HydrophobicContact CB-CD1 3.76Å; A540-I548 HydrophobicContact CB-CB 4.09Å; A540-I548 HydrophobicContact CB-CG2 3.48Å; A540-I548 VanDerWaalsContact CB-CG2 3.48Å; H545-I548 HydrophobicContact CB-CB 3.96Å; H545-I548 HydrophobicContact CB-CG1 3.93Å; H545-I548 WeakPolarHBondContact O-CB 3.5Å; H545-I548 PolarHBondContact O-N 2.94Å; I548-R550 VanDerWaalsContact C-N 3.3Å; I548-R550 PolarHBondContact O-N 3.49Å; I548-L551 CarbonylContact O-C 3.48Å; I548-L551 WeakPolarHBondContact O-CA 3.29Å; I548-L551 WeakPolarHBondContact O-CB 3.03Å; I548-L551 PolarHBondContact O-N 3.01Å; I548-L552 HydrophobicContact CG2-CD1 3.8Å; I548-L552 HydrophobicContact CG2-CG 4.17Å; I548-L552 WeakPolarHBondContact O-CG 3.45Å; I548-L552 PolarHBondContact O-N 2.94Å
549V95.9Very high90.4Very high0 Ų057.9 Ų57.90%027%0.268CS..Hα-helixtrans-55.8-48.7178.1171.80000110.5L537 A540 H545 L551 L552 L553 I581 Q584 L585L537-V549 HydrophobicContact CD1-CB 4.4Å; L537-V549 HydrophobicContact CD1-CG1 4.01Å; L537-V549 HydrophobicContact CD1-CG2 4.2Å; A540-V549 HydrophobicContact CB-CG2 3.98Å; H545-V549 PolarHBondContact O-N 3.21Å; V549-L551 VanDerWaalsContact C-N 3.27Å; V549-L551 PolarHBondContact O-N 2.76Å; V549-L552 PolarHBondContact O-N 3.21Å; V549-L553 HydrophobicContact CG1-CD1 3.65Å; V549-L553 HydrophobicContact CG1-CG 4.27Å; V549-L553 VanDerWaalsContact O-CG 3.25Å; V549-L553 WeakPolarHBondContact O-CG 3.38Å; V549-L553 PolarHBondContact O-N 2.81Å; V549-I581 HydrophobicContact CG1-CG2 4.19Å; V549-I581 HydrophobicContact CG2-CD1 3.97Å; V549-I581 HydrophobicContact CG2-CG1 4.15Å; V549-I581 HydrophobicContact CG2-CG2 4.02Å; V549-Q584 HydrophobicContact CG1-CB 4.34Å; V549-L585 HydrophobicContact CG1-CD2 4.41Å
550R94.4Very high90.1Very high151 Ų15160.3 Ų60.357%0.5728%0.282SS*.Hα-helixtrans-57.2-42176-173.1179-65148.8-0.4112.3N546 I548 T554N546-R550 WeakPolarHBondContact O-CB 3.1Å; N546-R550 PolarHBondContact O-N 3.38Å; N546-R550 VanDerWaalsContact O-N 3.11Å; I548-R550 VanDerWaalsContact C-N 3.3Å; I548-R550 PolarHBondContact O-N 3.49Å; R550-T554 WeakPolarHBondContact O-CG2 3.33Å; R550-T554 PolarHBondContact O-N 2.99Å
551L93.6Very high90Very high26 Ų2662.1 Ų62.114%0.13629%0.291CS..Hα-helixtrans-66.2-42179.2170.467.2000112.4V513 A516 K517 M520 R547 I548 V549 T554V513-L551 HydrophobicContact CG1-CD2 4.19Å; A516-L551 HydrophobicContact CB-CD2 4.02Å; K517-L551 HydrophobicContact CB-CD2 4.46Å; K517-L551 HydrophobicContact CD-CD1 4.37Å; K517-L551 HydrophobicContact CG-CD1 3.65Å; K517-L551 HydrophobicContact CG-CD2 3.47Å; K517-L551 VanDerWaalsContact CG-CD2 3.47Å; K517-L551 HydrophobicContact CG-CG 4.2Å; M520-L551 HydrophobicContact CE-CD1 3.78Å; M520-L551 HydrophobicContact CE-CD2 3.39Å; M520-L551 HydrophobicContact CE-CG 3.36Å; R547-L551 WeakPolarHBondContact O-CB 3.15Å; R547-L551 PolarHBondContact O-N 2.91Å; R547-L551 VanDerWaalsContact O-N 3.15Å; I548-L551 CarbonylContact O-C 3.48Å; I548-L551 WeakPolarHBondContact O-CA 3.29Å; I548-L551 WeakPolarHBondContact O-CB 3.03Å; I548-L551 PolarHBondContact O-N 3.01Å; V549-L551 VanDerWaalsContact C-N 3.27Å; V549-L551 PolarHBondContact O-N 2.76Å; L551-T554 PolarHBondContact O-N 3.49Å; L551-T554 PolarHBondContact O-OG1 2.87Å
552L93.4Very high89.8Confident0 Ų064.3 Ų64.30%031%0.306CS..Hα-helixtrans-66.4-41.6178.4-70.7172.1000110.7M520 P526 A536 L537 A540 I548 V549 T554 K555 V557M520-L552 HydrophobicContact SD-CD2 3.8Å; P526-L552 HydrophobicContact CB-CD2 4.18Å; A536-L552 HydrophobicContact CB-CD1 4.38Å; L537-L552 HydrophobicContact CB-CD1 4.08Å; L537-L552 HydrophobicContact CD1-CB 4.3Å; L537-L552 HydrophobicContact CD1-CD1 4.08Å; A540-L552 HydrophobicContact CB-CD1 4.41Å; I548-L552 HydrophobicContact CG2-CD1 3.8Å; I548-L552 HydrophobicContact CG2-CG 4.17Å; I548-L552 WeakPolarHBondContact O-CG 3.45Å; I548-L552 PolarHBondContact O-N 2.94Å; V549-L552 PolarHBondContact O-N 3.21Å; L552-T554 PolarHBondContact O-N 3.42Å; L552-K555 PolarHBondContact O-N 3.46Å; L552-K555 VanDerWaalsContact O-N 3.12Å; L552-V557 HydrophobicContact CB-CG2 4.3Å; L552-V557 WeakPolarHBondContact O-CG2 3.47Å
553L91.8Very high89.7Confident16 Ų1663.8 Ų63.88%0.08430%0.304CS..Hα-helixtrans-65.8-19-179.4-67.1171.8000113.9L537 V549 K555 T559 Q584 L585 N588L537-L553 HydrophobicContact CD2-CD2 4.24Å; V549-L553 HydrophobicContact CG1-CD1 3.65Å; V549-L553 HydrophobicContact CG1-CG 4.27Å; V549-L553 VanDerWaalsContact O-CG 3.25Å; V549-L553 WeakPolarHBondContact O-CG 3.38Å; V549-L553 PolarHBondContact O-N 2.81Å; L553-K555 PolarHBondContact O-N 3.46Å; L553-T559 HydrophobicContact CD2-CG2 3.63Å; L553-Q584 HydrophobicContact CD1-CB 3.92Å; L553-L585 HydrophobicContact CD1-CD2 4.37Å; L553-L585 HydrophobicContact CD2-CD2 4.28Å; L553-N588 HydrophobicContact CD1-CB 4.37Å; L553-N588 HydrophobicContact CD2-CB 4.01Å
554T84.3Confident89.8Confident100 Ų10064.6 Ų64.661%0.61331%0.31SS*.THydrogen-bonded Turntrans-75.5-6.5174.762.90000114.3R550 L551 L552R550-T554 WeakPolarHBondContact O-CG2 3.33Å; R550-T554 PolarHBondContact O-N 2.99Å; L551-T554 PolarHBondContact O-N 3.49Å; L551-T554 PolarHBondContact O-OG1 2.87Å; L552-T554 PolarHBondContact O-N 3.42Å
555K74.8Confident89.5Confident136 Ų13669.8 Ų69.859%0.59133%0.325SS*.THydrogen-bonded Turntrans-114.731.7-173.9-72-69.4-172.8175.60113.8L552 L553 V557L552-K555 PolarHBondContact O-N 3.46Å; L552-K555 VanDerWaalsContact O-N 3.12Å; L553-K555 PolarHBondContact O-N 3.46Å; K555-V557 PolarHBondContact O-N 2.78Å
556E70.1Confident89.4Confident187 Ų18774.3 Ų74.387%0.87434%0.34SS*.THydrogen-bonded Turntrans56.233.9178.3-58.7-177.6168.800113.8
557V83.3Confident89.4Confident12 Ų1271.9 Ų71.97%0.07333%0.328CS..  trans-65.8135.5175.8173.80000110.2P526 L537 L552 K555 T559P526-V557 HydrophobicContact CB-CG2 3.64Å; P526-V557 HydrophobicContact CG-CG2 3.66Å; L537-V557 HydrophobicContact CB-CG1 4.28Å; L537-V557 HydrophobicContact CD2-CG1 3.77Å; L552-V557 HydrophobicContact CB-CG2 4.3Å; L552-V557 WeakPolarHBondContact O-CG2 3.47Å; K555-V557 PolarHBondContact O-N 2.78Å; V557-T559 PolarHBondContact O-N 3.05Å
558K89.1Confident89.5Confident138 Ų13863.5 Ų63.560%0.630%0.296SS*.  trans-70.9116.7176.4-65.6177.3-178.21730109.5N527 D560 I561N527-K558 PolarHBondContact OD1-N 3.48Å; K558-D560 VanDerWaalsContact C-N 3.31Å; K558-D560 PolarHBondContact O-N 3.07Å; K558-I561 HydrophobicContact CB-CD1 3.78Å; K558-I561 HydrophobicContact CB-CG1 3.79Å; K558-I561 HydrophobicContact CD-CD1 4.23Å; K558-I561 HydrophobicContact CD-CG1 4.36Å
559T89.6Confident89.6Confident13 Ų1363.5 Ų63.58%0.0830%0.296CS..THydrogen-bonded Turntrans-78.2-15-178.553.60000114.2L553 V557 P569 L585 N588L553-T559 HydrophobicContact CD2-CG2 3.63Å; V557-T559 PolarHBondContact O-N 3.05Å; T559-P569 WeakPolarHBondContact O-CD 3.12Å; T559-L585 HydrophobicContact CG2-CD2 4.44Å; T559-N588 HydrophobicContact CG2-CB 4.39Å
560D88.5Confident89.7Confident73 Ų7363.5 Ų63.539%0.3930%0.296SS..THydrogen-bonded Turntrans-109.98.3-170.3-63-22.1000113.6K558 S562 N591K558-D560 VanDerWaalsContact C-N 3.31Å; K558-D560 PolarHBondContact O-N 3.07Å; D560-S562 PolarHBondContact O-N 3.2Å; D560-S562 PolarHBondContact O-OG 3.1Å; D560-N591 PolarHBondContact OD1-N 3.38Å
561I92.5Very high89.8Confident38 Ų3856.3 Ų56.320%0.19527%0.269CS..  trans-58138.2166-61.5170.7000107.3N527 T529 T535 H538 K558N527-I561 HydrophobicContact CB-CD1 3.89Å; T529-I561 HydrophobicContact CG2-CG2 4.2Å; T535-I561 HydrophobicContact CG2-CB 4.16Å; T535-I561 HydrophobicContact CG2-CD1 3.83Å; T535-I561 HydrophobicContact CG2-CG2 3.78Å; H538-I561 PolarHBondContact CE1-O 3.22Å; H538-I561 PolarHBondContact NE2-O 2.69Å; H538-I561 VanDerWaalsContact NE2-O 3.09Å; K558-I561 HydrophobicContact CB-CD1 3.78Å; K558-I561 HydrophobicContact CB-CG1 3.79Å; K558-I561 HydrophobicContact CD-CD1 4.23Å; K558-I561 HydrophobicContact CD-CG1 4.36Å
562S92.4Very high89.9Confident46 Ų4655.4 Ų55.432%0.32226%0.264SS..  trans-117.9141.5-176.5-49.40000109.9D560 S567D560-S562 PolarHBondContact O-N 3.2Å; D560-S562 PolarHBondContact O-OG 3.1Å; S562-S567 WeakPolarHBondContact CA-O 3.3Å
563D91.1Very high90.1Very high12 Ų1255.4 Ų55.46%0.06426%0.264CS..  trans-70.2-176.5173.978-2.4000112.6R565 R566 S567D563-R565 PolarHBondContact O-N 2.92Å; D563-R565 WeakPolarHBondContact OD1-CA 3.43Å; D563-R565 WeakPolarHBondContact OD1-CB 3.5Å; D563-R565 PolarHBondContact OD1-N 3.4Å; D563-R565 IonicContact OD2-NE 3.29Å; D563-R565 IonicContact OD2-NH2 3.25Å; D563-R566 WeakPolarHBondContact O-CA 3.47Å; D563-R566 PolarHBondContact O-N 3.44Å; D563-R566 PolarHBondContact OD1-N 3.46Å; D563-S567 PolarHBondContact N-O 3.16Å; D563-S567 WeakPolarHBondContact OD1-CA 3.25Å; D563-S567 VanDerWaalsContact OD1-CB 3.24Å; D563-S567 WeakPolarHBondContact OD1-CB 3.49Å; D563-S567 PolarHBondContact OD1-N 3.08Å
564I91.2Very high90.4Very high106 Ų10654.6 Ų54.654%0.54426%0.26SS..THydrogen-bonded Turntrans-56.9-18.9177.7-164.1166.4000114.6S532 F533S532-I564 WeakPolarHBondContact O-CB 3.45Å; S532-I564 PolarHBondContact O-N 3.1Å; F533-I564 HydrophobicContact CD2-CB 4.13Å; F533-I564 HydrophobicContact CD2-CG1 4.4Å
565R86.4Confident90.9Very high123 Ų12351.6 Ų51.646%0.46424%0.24SC..THydrogen-bonded Turntrans-10112.9175.9-63.2-178-65.9-164.7-4.2112.6D563 S567 T596 D597D563-R565 PolarHBondContact O-N 2.92Å; D563-R565 WeakPolarHBondContact OD1-CA 3.43Å; D563-R565 WeakPolarHBondContact OD1-CB 3.5Å; D563-R565 PolarHBondContact OD1-N 3.4Å; D563-R565 IonicContact OD2-NE 3.29Å; D563-R565 IonicContact OD2-NH2 3.25Å; R565-S567 PolarHBondContact O-N 2.87Å; R565-T596 WeakPolarHBondContact O-CB 3.38Å; R565-D597 VanDerWaalsContact CA-OD2 3.26Å; R565-D597 WeakPolarHBondContact CA-OD2 3.38Å; R565-D597 PolarHBondContact O-N 3.32Å; R565-D597 VanDerWaalsContact O-N 3.09Å
566R91.4Very high91.7Very high147 Ų14749.2 Ų49.256%0.55523%0.23SC*.SBendtrans55.229.9-168.5-60.2-177.670-175-0.9113.6D563 D597D563-R566 WeakPolarHBondContact O-CA 3.47Å; D563-R566 PolarHBondContact O-N 3.44Å; D563-R566 PolarHBondContact OD1-N 3.46Å; R566-D597 WeakPolarHBondContact CD-OD1 3.35Å; R566-D597 WeakPolarHBondContact CG-OD1 3.47Å
567S93.4Very high92.9Very high9 Ų941.4 Ų41.46%0.06320%0.2CC..  trans-89.4126.1175.3-560000109.9H538 S562 D563 R565 T596H538-S567 PolarHBondContact NE2-O 3.19Å; H538-S567 VanDerWaalsContact NE2-O 3.14Å; S562-S567 WeakPolarHBondContact CA-O 3.3Å; D563-S567 PolarHBondContact N-O 3.16Å; D563-S567 WeakPolarHBondContact OD1-CA 3.25Å; D563-S567 VanDerWaalsContact OD1-CB 3.24Å; D563-S567 WeakPolarHBondContact OD1-CB 3.49Å; D563-S567 PolarHBondContact OD1-N 3.08Å; R565-S567 PolarHBondContact O-N 2.87Å; S567-T596 WeakPolarHBondContact OG-CG2 3.41Å
568T97.1Very high93.5Very high1 Ų143.3 Ų43.31%0.00621%0.208CC..  trans-82.7167.5172.268.20000111.2L570 H571 L572 C594T568-L570 PolarHBondContact O-N 3.03Å; T568-L570 VanDerWaalsContact O-N 3.08Å; T568-H571 PolarHBondContact N-ND1 3.08Å; T568-H571 VanDerWaalsContact N-ND1 3.13Å; T568-H571 VanDerWaalsContact O-CB 3.32Å; T568-H571 WeakPolarHBondContact O-CB 3.25Å; T568-H571 PolarHBondContact O-N 3.03Å; T568-H571 PolarHBondContact OG1-ND1 3.42Å; T568-L572 PolarHBondContact O-N 2.97Å; T568-C594 HydrophobicContact CG2-CB 4.12Å
569P97.1Very high93.9Very high0 Ų037.8 Ų37.80%019%0.188CC..Hα-helixtrans-55.6-29.9174.3-25.135.2000113.2L537 H538 A541 T559 L572 A573 L585L537-P569 HydrophobicContact CB-CG 4.33Å; L537-P569 HydrophobicContact CD2-CB 4.36Å; L537-P569 HydrophobicContact CD2-CG 3.98Å; L537-P569 HydrophobicContact CG-CB 3.97Å; L537-P569 HydrophobicContact CG-CG 3.86Å; H538-P569 WeakPolarHBondContact NE2-CD 3.37Å; A541-P569 HydrophobicContact CB-CB 3.9Å; T559-P569 WeakPolarHBondContact O-CD 3.12Å; P569-L572 PolarHBondContact O-N 2.99Å; P569-A573 WeakPolarHBondContact O-CB 3.18Å; P569-A573 PolarHBondContact O-N 3.34Å; P569-L585 HydrophobicContact CB-CD1 4.07Å; P569-L585 HydrophobicContact CB-CD2 4.31Å
570L97.9Very high94.2Very high0 Ų038.8 Ų38.80%020%0.2CC..Hα-helixtrans-67.1-35.6176.1-177.262000112.1T568 A574 C582 L585 L586 A590 P602 L618T568-L570 PolarHBondContact O-N 3.03Å; T568-L570 VanDerWaalsContact O-N 3.08Å; L570-A574 WeakPolarHBondContact O-CB 3.18Å; L570-A574 PolarHBondContact O-N 3.35Å; L570-C582 HydrophobicContact CD1-CB 3.93Å; L570-L585 HydrophobicContact CB-CD1 4.15Å; L570-L585 HydrophobicContact CD1-CB 4.32Å; L570-L585 HydrophobicContact CD1-CD1 4.31Å; L570-L586 HydrophobicContact CD1-CD1 4.45Å; L570-L586 HydrophobicContact CD1-CD2 4.43Å; L570-L586 HydrophobicContact CD1-CG 4.13Å; L570-L586 HydrophobicContact CD2-CD2 3.63Å; L570-L586 HydrophobicContact CD2-CG 4.21Å; L570-A590 HydrophobicContact CD2-CB 4.28Å; L570-P602 HydrophobicContact CB-CG 4.39Å; L570-P602 HydrophobicContact CD2-CB 4.38Å; L570-P602 HydrophobicContact CD2-CG 3.92Å; L570-P602 HydrophobicContact CG-CB 4.01Å; L570-P602 HydrophobicContact CG-CG 3.83Å; L570-L618 HydrophobicContact CD1-CD2 4.28Å; L570-L618 HydrophobicContact CD2-CD2 4.15Å; L570-L618 HydrophobicContact CG-CD2 4.42Å
571H97.4Very high94.6Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-62.8-47.7174.2-71.887.2000111.1T568 A574 L575 C594 T596 W600 P602 L605T568-H571 PolarHBondContact N-ND1 3.08Å; T568-H571 VanDerWaalsContact N-ND1 3.13Å; T568-H571 VanDerWaalsContact O-CB 3.32Å; T568-H571 WeakPolarHBondContact O-CB 3.25Å; T568-H571 PolarHBondContact O-N 3.03Å; T568-H571 PolarHBondContact OG1-ND1 3.42Å; H571-A574 PolarHBondContact O-N 2.95Å; H571-L575 WeakPolarHBondContact O-CB 3.42Å; H571-L575 PolarHBondContact O-N 3.07Å; H571-C594 PolarHBondContact CE1-O 3.49Å; H571-C594 PolarHBondContact NE2-O 3.3Å; H571-C594 VanDerWaalsContact NE2-O 3.14Å; H571-T596 VanDerWaalsContact CD2-CG2 3.49Å; H571-T596 WeakPolarHBondContact CD2-CG2 3.44Å; H571-W600 PolarHBondContact NE2-O 3.43Å; H571-P602 WeakPolarHBondContact NE2-CD 3.23Å; H571-L605 HydrophobicContact CB-CD1 3.69Å; H571-L605 WeakPolarHBondContact O-CD1 3.41Å
572L95.6Very high94.9Very high6 Ų633.5 Ų33.53%0.03117%0.173CC..Hα-helixtrans-66.1-43.3-178.9-56.8-179.9000111.6H538 E542 T568 P569 A574 L575 K576H538-L572 HydrophobicContact CB-CD1 3.9Å; E542-L572 HydrophobicContact CB-CB 4.03Å; E542-L572 HydrophobicContact CB-CD1 4.24Å; E542-L572 HydrophobicContact CG-CB 4.48Å; T568-L572 PolarHBondContact O-N 2.97Å; P569-L572 PolarHBondContact O-N 2.99Å; L572-A574 VanDerWaalsContact C-N 3.31Å; L572-A574 PolarHBondContact O-N 3.5Å; L572-L575 PolarHBondContact O-N 3.41Å; L572-K576 WeakPolarHBondContact O-CG 3.12Å; L572-K576 PolarHBondContact O-N 3.49Å; L572-K576 VanDerWaalsContact O-N 3.13Å
573A97.4Very high95.1Very high0 Ų037.9 Ų37.90%018%0.182CC..Hα-helixtrans-61.5-40.2174.300000112.1A541 P569 K576 G577 H578 I581 L585A541-A573 HydrophobicContact CB-CB 4.28Å; P569-A573 WeakPolarHBondContact O-CB 3.18Å; P569-A573 PolarHBondContact O-N 3.34Å; A573-K576 PolarHBondContact O-N 3.38Å; A573-G577 PolarHBondContact O-N 2.95Å; A573-G577 VanDerWaalsContact O-N 3.09Å; A573-H578 HydrophobicContact CB-CB 4.38Å; A573-H578 PolarHBondContact O-N 3.2Å; A573-I581 HydrophobicContact CB-CB 4.23Å; A573-I581 HydrophobicContact CB-CG2 3.63Å; A573-L585 HydrophobicContact CB-CD1 4.31Å
574A97.1Very high95.3Very high0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-70-40.3179.300000112.3L570 H571 L572 K576 G577 P602 A606 H611 V614 L618L570-A574 WeakPolarHBondContact O-CB 3.18Å; L570-A574 PolarHBondContact O-N 3.35Å; H571-A574 PolarHBondContact O-N 2.95Å; L572-A574 VanDerWaalsContact C-N 3.31Å; L572-A574 PolarHBondContact O-N 3.5Å; A574-K576 VanDerWaalsContact C-N 3.25Å; A574-K576 PolarHBondContact O-N 3.45Å; A574-G577 PolarHBondContact O-N 3.24Å; A574-P602 HydrophobicContact CB-CB 3.8Å; A574-P602 WeakPolarHBondContact CB-O 3.2Å; A574-A606 HydrophobicContact CB-CB 4.35Å; A574-H611 PolarHBondContact O-CD2 3.04Å; A574-H611 VanDerWaalsContact O-CD2 3.31Å; A574-V614 HydrophobicContact CB-CG1 3.83Å; A574-L618 HydrophobicContact CB-CD1 4.43Å
575L95.1Very high95.5Very high36 Ų3633.5 Ų33.519%0.18816%0.159CC..Hα-helixtrans-61.3-32.7175.2-179.465.8000112.8H571 L572 L605 R609 H611H571-L575 WeakPolarHBondContact O-CB 3.42Å; H571-L575 PolarHBondContact O-N 3.07Å; L572-L575 PolarHBondContact O-N 3.41Å; L575-L605 HydrophobicContact CB-CB 4.05Å; L575-L605 HydrophobicContact CB-CD1 4.2Å; L575-L605 HydrophobicContact CD1-CB 4.09Å; L575-L605 HydrophobicContact CD1-CD2 4.32Å; L575-R609 HydrophobicContact CD1-CG 3.84Å; L575-H611 PolarHBondContact O-NE2 3.5Å
576K92.5Very high96Very high86 Ų8628.4 Ų28.437%0.37414%0.141SC..THydrogen-bonded Turntrans-96.3-1.9-178.7-61.3-70.9-175.3175.70113.7E542 L572 A573 A574 H578E542-K576 HydrophobicContact CG-CG 4.17Å; E542-K576 WeakPolarHBondContact OE1-CE 3.43Å; E542-K576 IonicContact OE1-NZ 2.82Å; L572-K576 WeakPolarHBondContact O-CG 3.12Å; L572-K576 PolarHBondContact O-N 3.49Å; L572-K576 VanDerWaalsContact O-N 3.13Å; A573-K576 PolarHBondContact O-N 3.38Å; A574-K576 VanDerWaalsContact C-N 3.25Å; A574-K576 PolarHBondContact O-N 3.45Å; K576-H578 VanDerWaalsContact CB-CD2 3.5Å; K576-H578 WeakPolarHBondContact CB-CD2 3.29Å; K576-H578 WeakPolarHBondContact CB-NE2 3.47Å
577G94.4Very high96.1Very high24 Ų2425 Ų2525%0.24714%0.14CC..THydrogen-bonded Turntrans79.815.9176.200000114.9A573 A574 A579 H611A573-G577 PolarHBondContact O-N 2.95Å; A573-G577 VanDerWaalsContact O-N 3.09Å; A574-G577 PolarHBondContact O-N 3.24Å; G577-A579 VanDerWaalsContact C-N 3.3Å; G577-A579 PolarHBondContact O-N 3.29Å; G577-H611 WeakPolarHBondContact CA-CD2 3.33Å; G577-H611 VanDerWaalsContact CA-CG 3.42Å; G577-H611 PolarHBondContact N-CD2 3.29Å; G577-H611 PolarHBondContact N-NE2 3.39Å
578H96.6Very high96.1Very high51 Ų5128.7 Ų28.724%0.23616%0.159CC..  trans-78.973.3-175.7-62.5-45.5000112A541 E542 G544 A573 K576 G580 I581 C582A541-H578 PolarHBondContact O-CD2 2.76Å; E542-H578 PolarHBondContact O-CD2 3.29Å; E542-H578 PolarHBondContact O-NE2 3.27Å; G544-H578 VanDerWaalsContact CA-CD2 3.5Å; G544-H578 WeakPolarHBondContact CA-CD2 3.41Å; G544-H578 VanDerWaalsContact CA-CE1 3.5Å; G544-H578 WeakPolarHBondContact CA-CE1 3.46Å; G544-H578 VanDerWaalsContact CA-NE2 3.31Å; G544-H578 WeakPolarHBondContact CA-NE2 3.48Å; G544-H578 PolarHBondContact N-NE2 2.99Å; A573-H578 HydrophobicContact CB-CB 4.38Å; A573-H578 PolarHBondContact O-N 3.2Å; K576-H578 VanDerWaalsContact CB-CD2 3.5Å; K576-H578 WeakPolarHBondContact CB-CD2 3.29Å; K576-H578 WeakPolarHBondContact CB-NE2 3.47Å; H578-G580 VanDerWaalsContact C-N 3.28Å; H578-G580 PolarHBondContact O-N 2.9Å; H578-I581 HydrophobicContact CB-CB 4.01Å; H578-I581 HydrophobicContact CB-CD1 4.03Å; H578-I581 HydrophobicContact CB-CG1 4.24Å; H578-I581 PolarHBondContact O-N 3.42Å; H578-C582 PolarHBondContact O-N 2.99Å; H578-C582 PolarHBondContact O-SG 3.3Å
579A96.2Very high95.8Very high23 Ų2331.2 Ų31.219%0.1919%0.185CC..Hα-helixtrans-57.9-36-175.800000113.8G577 I581 C582 R583 A613 V614 L617G577-A579 VanDerWaalsContact C-N 3.3Å; G577-A579 PolarHBondContact O-N 3.29Å; A579-I581 VanDerWaalsContact C-N 3.34Å; A579-I581 PolarHBondContact O-N 3.08Å; A579-C582 PolarHBondContact O-N 3.16Å; A579-R583 WeakPolarHBondContact O-CB 3.44Å; A579-R583 PolarHBondContact O-N 3.1Å; A579-A613 HydrophobicContact CB-CB 4.34Å; A579-V614 HydrophobicContact CB-CG2 3.94Å; A579-L617 VanDerWaalsContact O-CD2 3.29Å; A579-L617 WeakPolarHBondContact O-CD2 3.3Å
580G96.5Very high95.8Very high33 Ų3331.5 Ų31.534%0.3419%0.187SC..Hα-helixtrans-61.9-40.2175.600000113H578 Q584H578-G580 VanDerWaalsContact C-N 3.28Å; H578-G580 PolarHBondContact O-N 2.9Å; G580-Q584 WeakPolarHBondContact O-CG 3.35Å; G580-Q584 PolarHBondContact O-N 3.45Å
581I97.3Very high95.6Very high0 Ų034.8 Ų34.80%021%0.205CC..Hα-helixtrans-73-46177.8-68.4179.3000110.3A541 G544 N546 V549 A573 H578 A579 R583 Q584 L585A541-I581 HydrophobicContact CB-CG2 3.97Å; G544-I581 VanDerWaalsContact C-CD1 3.43Å; N546-I581 HydrophobicContact CB-CG1 4.46Å; N546-I581 WeakPolarHBondContact OD1-CG1 3.36Å; N546-I581 PolarHBondContact OD1-N 3.42Å; V549-I581 HydrophobicContact CG1-CG2 4.19Å; V549-I581 HydrophobicContact CG2-CD1 3.97Å; V549-I581 HydrophobicContact CG2-CG1 4.15Å; V549-I581 HydrophobicContact CG2-CG2 4.02Å; A573-I581 HydrophobicContact CB-CB 4.23Å; A573-I581 HydrophobicContact CB-CG2 3.63Å; H578-I581 HydrophobicContact CB-CB 4.01Å; H578-I581 HydrophobicContact CB-CD1 4.03Å; H578-I581 HydrophobicContact CB-CG1 4.24Å; H578-I581 PolarHBondContact O-N 3.42Å; A579-I581 VanDerWaalsContact C-N 3.34Å; A579-I581 PolarHBondContact O-N 3.08Å; I581-R583 PolarHBondContact O-N 3.45Å; I581-Q584 WeakPolarHBondContact O-CB 3.45Å; I581-Q584 PolarHBondContact O-N 2.93Å; I581-L585 HydrophobicContact CG2-CD1 3.77Å; I581-L585 HydrophobicContact CG2-CG 4.2Å; I581-L585 WeakPolarHBondContact O-CG 3.07Å; I581-L585 PolarHBondContact O-N 3.47Å
582C97.8Very high95.6Very high0 Ų035.5 Ų35.50%021%0.209CC..Hα-helixtrans-52.6-43.1174.7-650000110.8L570 H578 A579 Q584 L585 L586 L617L570-C582 HydrophobicContact CD1-CB 3.93Å; H578-C582 PolarHBondContact O-N 2.99Å; H578-C582 PolarHBondContact O-SG 3.3Å; A579-C582 PolarHBondContact O-N 3.16Å; C582-Q584 PolarHBondContact O-N 3.42Å; C582-L585 PolarHBondContact O-N 3.09Å; C582-L586 WeakPolarHBondContact O-CB 3.43Å; C582-L586 WeakPolarHBondContact O-CD1 3.46Å; C582-L586 WeakPolarHBondContact O-CG 3.13Å; C582-L586 PolarHBondContact O-N 3.22Å; C582-L617 HydrophobicContact CB-CD2 3.65Å
583R97.1Very high95.6Very high138 Ų13837.9 Ų37.952%0.52122%0.222SC..Hα-helixtrans-63.5-42.6179-172.1-173.1-54.2-80.6-3.6111.6A579 I581 S587 L617A579-R583 WeakPolarHBondContact O-CB 3.44Å; A579-R583 PolarHBondContact O-N 3.1Å; I581-R583 PolarHBondContact O-N 3.45Å; R583-S587 VanDerWaalsContact O-CB 3.29Å; R583-S587 WeakPolarHBondContact O-CB 3.34Å; R583-S587 PolarHBondContact O-N 3.12Å; R583-S587 PolarHBondContact O-OG 3.19Å; R583-L617 HydrophobicContact CB-CD1 4.26Å; R583-L617 HydrophobicContact CB-CD2 3.87Å; R583-L617 HydrophobicContact CG-CD1 4.28Å
584Q95.6Very high95.5Very high25 Ų2539.1 Ų39.112%0.11723%0.231CC..Hα-helixtrans-65.1-47.2178.4-71.1177.913.800111.2N546 V549 L553 G580 I581 C582 S587 N588N546-Q584 PolarHBondContact O-OE1 3.26Å; V549-Q584 HydrophobicContact CG1-CB 4.34Å; L553-Q584 HydrophobicContact CD1-CB 3.92Å; G580-Q584 WeakPolarHBondContact O-CG 3.35Å; G580-Q584 PolarHBondContact O-N 3.45Å; I581-Q584 WeakPolarHBondContact O-CB 3.45Å; I581-Q584 PolarHBondContact O-N 2.93Å; C582-Q584 PolarHBondContact O-N 3.42Å; Q584-S587 PolarHBondContact O-N 2.9Å; Q584-N588 PolarHBondContact O-N 3.18Å; Q584-N588 VanDerWaalsContact O-N 3.12Å; Q584-N588 PolarHBondContact O-ND2 3.1Å
585L96.5Very high95.4Very high1 Ų144 Ų441%0.00525%0.252CS..Hα-helixtrans-60.3-49.8179-68.7171.7000111.5L537 V549 L553 T559 P569 L570 A573 I581 C582 S587 N588 G589 A590L537-L585 HydrophobicContact CD1-CD2 4.16Å; L537-L585 HydrophobicContact CD2-CD2 3.97Å; L537-L585 HydrophobicContact CG-CD2 4.3Å; V549-L585 HydrophobicContact CG1-CD2 4.41Å; L553-L585 HydrophobicContact CD1-CD2 4.37Å; L553-L585 HydrophobicContact CD2-CD2 4.28Å; T559-L585 HydrophobicContact CG2-CD2 4.44Å; P569-L585 HydrophobicContact CB-CD1 4.07Å; P569-L585 HydrophobicContact CB-CD2 4.31Å; L570-L585 HydrophobicContact CB-CD1 4.15Å; L570-L585 HydrophobicContact CD1-CB 4.32Å; L570-L585 HydrophobicContact CD1-CD1 4.31Å; A573-L585 HydrophobicContact CB-CD1 4.31Å; I581-L585 HydrophobicContact CG2-CD1 3.77Å; I581-L585 HydrophobicContact CG2-CG 4.2Å; I581-L585 WeakPolarHBondContact O-CG 3.07Å; I581-L585 PolarHBondContact O-N 3.47Å; C582-L585 PolarHBondContact O-N 3.09Å; L585-S587 VanDerWaalsContact C-N 3.3Å; L585-S587 PolarHBondContact O-N 3.34Å; L585-N588 CarbonylContact O-C 3.59Å; L585-N588 PolarHBondContact O-N 3.13Å; L585-G589 PolarHBondContact O-N 2.9Å; L585-A590 HydrophobicContact CB-CB 3.96Å; L585-A590 VanDerWaalsContact O-CB 3.23Å; L585-A590 WeakPolarHBondContact O-CB 3.47Å; L585-A590 PolarHBondContact O-N 3.43Å; L585-A590 VanDerWaalsContact O-N 3.08Å
586L95.9Very high95.3Very high17 Ų1742.9 Ų42.99%0.08925%0.246CC..Hα-helixtrans-62.1-36.5178-67.9163.2000112.4L570 C582 N588 G589 P592 L617 L618 K621L570-L586 HydrophobicContact CD1-CD1 4.45Å; L570-L586 HydrophobicContact CD1-CD2 4.43Å; L570-L586 HydrophobicContact CD1-CG 4.13Å; L570-L586 HydrophobicContact CD2-CD2 3.63Å; L570-L586 HydrophobicContact CD2-CG 4.21Å; C582-L586 WeakPolarHBondContact O-CB 3.43Å; C582-L586 WeakPolarHBondContact O-CD1 3.46Å; C582-L586 WeakPolarHBondContact O-CG 3.13Å; C582-L586 PolarHBondContact O-N 3.22Å; L586-N588 PolarHBondContact O-N 3.48Å; L586-G589 PolarHBondContact O-N 3.37Å; L586-P592 HydrophobicContact CD2-CB 3.81Å; L586-P592 HydrophobicContact CD2-CG 4.35Å; L586-L617 HydrophobicContact CD1-CD2 4.37Å; L586-L617 HydrophobicContact CD1-CG 4.05Å; L586-L618 HydrophobicContact CD1-CD2 4Å; L586-L618 HydrophobicContact CD2-CD2 4.32Å; L586-K621 HydrophobicContact CB-CB 4.42Å; L586-K621 HydrophobicContact CB-CG 4.15Å; L586-K621 HydrophobicContact CD1-CB 3.97Å; L586-K621 HydrophobicContact CD1-CG 3.91Å; L586-K621 HydrophobicContact CD2-CB 4.18Å; L586-K621 HydrophobicContact CG-CB 4.42Å; L586-K621 HydrophobicContact CG-CG 4.49Å
587S94.3Very high95.2Very high75 Ų7543.5 Ų43.552%0.52425%0.254SS..Hα-helixtrans-71.7-17.6177-550000112.9R583 Q584 L585R583-S587 VanDerWaalsContact O-CB 3.29Å; R583-S587 WeakPolarHBondContact O-CB 3.34Å; R583-S587 PolarHBondContact O-N 3.12Å; R583-S587 PolarHBondContact O-OG 3.19Å; Q584-S587 PolarHBondContact O-N 2.9Å; L585-S587 VanDerWaalsContact C-N 3.3Å; L585-S587 PolarHBondContact O-N 3.34Å
588N93.2Very high94.9Very high86 Ų8646.7 Ų46.746%0.4626%0.263SS..THydrogen-bonded Turntrans-103.722.8175.8-72.8-90.5000112.1L553 T559 Q584 L585 L586L553-N588 HydrophobicContact CD1-CB 4.37Å; L553-N588 HydrophobicContact CD2-CB 4.01Å; T559-N588 HydrophobicContact CG2-CB 4.39Å; Q584-N588 PolarHBondContact O-N 3.18Å; Q584-N588 VanDerWaalsContact O-N 3.12Å; Q584-N588 PolarHBondContact O-ND2 3.1Å; L585-N588 CarbonylContact O-C 3.59Å; L585-N588 PolarHBondContact O-N 3.13Å; L586-N588 PolarHBondContact O-N 3.48Å
589G90.9Very high94.7Very high55 Ų5545.1 Ų45.157%0.56726%0.26SS*.THydrogen-bonded Turntrans90.25.9169.700000116L585 L586 N591L585-G589 PolarHBondContact O-N 2.9Å; L586-G589 PolarHBondContact O-N 3.37Å; G589-N591 PolarHBondContact O-N 2.06Å
590A95.5Very high94.7Very high5 Ų546.3 Ų46.34%0.04126%0.259CS..  trans-59.9132174.500000111.2L570 L585 P592L570-A590 HydrophobicContact CD2-CB 4.28Å; L585-A590 HydrophobicContact CB-CB 3.96Å; L585-A590 VanDerWaalsContact O-CB 3.23Å; L585-A590 WeakPolarHBondContact O-CB 3.47Å; L585-A590 PolarHBondContact O-N 3.43Å; L585-A590 VanDerWaalsContact O-N 3.08Å; A590-P592 WeakPolarHBondContact O-CD 3.45Å
591N95.4Very high94.8Very high69 Ų6944.8 Ų44.837%0.36924%0.244SC..  trans-78.4118.8-179.1175.16.5000111.5D560 G589 N593 C594D560-N591 PolarHBondContact OD1-N 3.38Å; G589-N591 PolarHBondContact O-N 2.06Å; N591-N593 PolarHBondContact O-N 3.13Å; N591-N593 WeakPolarHBondContact OD1-CB 3.45Å; N591-N593 PolarHBondContact OD1-N 2.82Å; N591-C594 PolarHBondContact O-N 3.11Å
592P96.4Very high94.8Very high15 Ų1544.8 Ų44.810%0.09724%0.244CC..THydrogen-bonded Turntrans-69.8-9.6-179.730.7-37.5000114.1L586 A590 P602 L618L586-P592 HydrophobicContact CD2-CB 3.81Å; L586-P592 HydrophobicContact CD2-CG 4.35Å; A590-P592 WeakPolarHBondContact O-CD 3.45Å; P592-P602 WeakPolarHBondContact O-CD 3.48Å; P592-L618 HydrophobicContact CB-CD2 4.14Å
593N96.2Very high94.8Very high56 Ų5644.9 Ų44.930%0.29924%0.244SC..THydrogen-bonded Turntrans-111.59.4-175.5-64.2-50.7000113.5N591 G622 S624N591-N593 PolarHBondContact O-N 3.13Å; N591-N593 WeakPolarHBondContact OD1-CB 3.45Å; N591-N593 PolarHBondContact OD1-N 2.82Å; N593-G622 PolarHBondContact ND2-O 3.1Å; N593-S624 WeakPolarHBondContact OD1-CB 3.42Å; N593-S624 PolarHBondContact OD1-N 2.79Å
594C94.8Very high94.8Very high27 Ų2738.3 Ų38.318%0.18222%0.219CC..  trans-55.1146.5169.8-75.80000110.3T568 H571 N591 T601T568-C594 HydrophobicContact CG2-CB 4.12Å; H571-C594 PolarHBondContact CE1-O 3.49Å; H571-C594 PolarHBondContact NE2-O 3.3Å; H571-C594 VanDerWaalsContact NE2-O 3.14Å; N591-C594 PolarHBondContact O-N 3.11Å; C594-T601 WeakPolarHBondContact O-CA 3.48Å
595K94.5Very high94.9Very high103 Ų10337.7 Ų37.745%0.44822%0.217SC..  trans-119.1135.5-177.6-70.1-169177.2-159.70110.5G599 W600 T601 K628K595-G599 WeakPolarHBondContact CD-O 3.42Å; K595-W600 WeakPolarHBondContact CA-O 3.47Å; K595-T601 HydrophobicContact CG-CG2 4.16Å; K595-K628 PolarHBondContact NZ-O 3.47Å
596T94.1Very high94.9Very high11 Ų1137.7 Ų37.77%0.06722%0.216CC..  trans-68.8178.4166.867.50000111.4R565 S567 H571 Q598 G599 W600R565-T596 WeakPolarHBondContact O-CB 3.38Å; S567-T596 WeakPolarHBondContact OG-CG2 3.41Å; H571-T596 VanDerWaalsContact CD2-CG2 3.49Å; H571-T596 WeakPolarHBondContact CD2-CG2 3.44Å; T596-Q598 PolarHBondContact O-N 3.41Å; T596-Q598 PolarHBondContact OG1-N 3.38Å; T596-G599 WeakPolarHBondContact O-CA 3.33Å; T596-G599 PolarHBondContact O-N 3.49Å; T596-W600 PolarHBondContact N-O 3.02Å; T596-W600 PolarHBondContact OG1-N 3.24Å
597D90.3Very high94.9Very high100 Ų10036.9 Ų36.954%0.53521%0.212SC..THydrogen-bonded Turntrans-57.5-29.5172.1-71.9-38.9000113.3R565 R566 G599R565-D597 VanDerWaalsContact CA-OD2 3.26Å; R565-D597 WeakPolarHBondContact CA-OD2 3.38Å; R565-D597 PolarHBondContact O-N 3.32Å; R565-D597 VanDerWaalsContact O-N 3.09Å; R566-D597 WeakPolarHBondContact CD-OD1 3.35Å; R566-D597 WeakPolarHBondContact CG-OD1 3.47Å; D597-G599 PolarHBondContact O-N 3.36Å
598Q88.1Confident94.8Very high91 Ų9134.3 Ų34.343%0.42519%0.192SC..THydrogen-bonded Turntrans-82.77.9174.6-63.3179.4-34.200112.3T596 W600 G629 Q630T596-Q598 PolarHBondContact O-N 3.41Å; T596-Q598 PolarHBondContact OG1-N 3.38Å; Q598-W600 HydrophobicContact CB-CD2 4.21Å; Q598-W600 HydrophobicContact CB-CG 4.14Å; Q598-W600 PolarHBondContact O-N 2.86Å; Q598-W600 VanDerWaalsContact O-N 3.16Å; Q598-G629 CarbonylContact O-C 3.21Å; Q598-Q630 HydrophobicContact CB-CB 4.2Å; Q598-Q630 VanDerWaalsContact CG-OE1 3.27Å; Q598-Q630 WeakPolarHBondContact O-CA 3.45Å; Q598-Q630 VanDerWaalsContact O-CB 3.25Å; Q598-Q630 WeakPolarHBondContact O-CB 3.22Å; Q598-Q630 PolarHBondContact O-N 3.21Å
599G92.6Very high94.7Very high17 Ų1736.2 Ų36.218%0.17519%0.193CC..  trans70.37.1-176.800000114.3K595 T596 D597 G629K595-G599 WeakPolarHBondContact CD-O 3.42Å; T596-G599 WeakPolarHBondContact O-CA 3.33Å; T596-G599 PolarHBondContact O-N 3.49Å; D597-G599 PolarHBondContact O-N 3.36Å; G599-G629 WeakPolarHBondContact O-CA 3.18Å
600W95.8Very high94.8Very high49 Ų4934.5 Ų34.519%0.18618%0.176CC..  trans-79.9136.3-175.9-68.1-0.3000110.7H571 K595 T596 Q598 H604 L605 L608H571-W600 PolarHBondContact NE2-O 3.43Å; K595-W600 WeakPolarHBondContact CA-O 3.47Å; T596-W600 PolarHBondContact N-O 3.02Å; T596-W600 PolarHBondContact OG1-N 3.24Å; Q598-W600 HydrophobicContact CB-CD2 4.21Å; Q598-W600 HydrophobicContact CB-CG 4.14Å; Q598-W600 PolarHBondContact O-N 2.86Å; Q598-W600 VanDerWaalsContact O-N 3.16Å; W600-H604 HydrophobicContact CB-CB 4.02Å; W600-H604 HydrophobicContact CG-CB 4.29Å; W600-L605 HydrophobicContact CE3-CD2 3.57Å; W600-L605 HydrophobicContact CZ3-CD2 4.19Å; W600-L608 HydrophobicContact CH2-CD2 4.47Å; W600-L608 HydrophobicContact CZ3-CD2 4.11Å
601T97.8Very high94.8Very high1 Ų136.9 Ų36.91%0.00619%0.186CC..  trans-91.9166.3173.571.10000110.9C594 K595 M603 H604 L605 A627C594-T601 WeakPolarHBondContact O-CA 3.48Å; K595-T601 HydrophobicContact CG-CG2 4.16Å; T601-M603 PolarHBondContact O-N 3.37Å; T601-M603 VanDerWaalsContact O-N 3.09Å; T601-M603 PolarHBondContact OG1-N 3.27Å; T601-H604 PolarHBondContact N-ND1 2.97Å; T601-H604 VanDerWaalsContact N-ND1 3.11Å; T601-H604 WeakPolarHBondContact O-CB 3.43Å; T601-H604 PolarHBondContact O-N 3.07Å; T601-H604 PolarHBondContact OG1-ND1 3.44Å; T601-L605 PolarHBondContact O-N 3.12Å; T601-A627 HydrophobicContact CG2-CB 3.91Å
602P97.8Very high94.8Very high0 Ų037.5 Ų37.50%019%0.186CC..Hα-helixtrans-53.2-32.1172.8-2735.8000113.2L570 H571 A574 P592 L605 A606 L618L570-P602 HydrophobicContact CB-CG 4.39Å; L570-P602 HydrophobicContact CD2-CB 4.38Å; L570-P602 HydrophobicContact CD2-CG 3.92Å; L570-P602 HydrophobicContact CG-CB 4.01Å; L570-P602 HydrophobicContact CG-CG 3.83Å; H571-P602 WeakPolarHBondContact NE2-CD 3.23Å; A574-P602 HydrophobicContact CB-CB 3.8Å; A574-P602 WeakPolarHBondContact CB-O 3.2Å; P592-P602 WeakPolarHBondContact O-CD 3.48Å; P602-L605 PolarHBondContact O-N 3.41Å; P602-A606 PolarHBondContact O-N 3.2Å; P602-L618 HydrophobicContact CB-CD1 3.95Å; P602-L618 HydrophobicContact CB-CD2 4.1Å
603M98.1Very high94.8Very high1 Ų139.6 Ų39.61%0.00521%0.205CC..Hα-helixtrans-68.7-34177.5-169.7178.6-74.400112.6T601 L605 A607 V615 L618 E619 V625 P635 L651T601-M603 PolarHBondContact O-N 3.37Å; T601-M603 VanDerWaalsContact O-N 3.09Å; T601-M603 PolarHBondContact OG1-N 3.27Å; M603-L605 VanDerWaalsContact C-N 3.35Å; M603-A607 VanDerWaalsContact O-CB 3.25Å; M603-A607 WeakPolarHBondContact O-CB 3.39Å; M603-A607 PolarHBondContact O-N 3.2Å; M603-V615 HydrophobicContact CG-CG1 4.46Å; M603-L618 HydrophobicContact CB-CD1 3.99Å; M603-L618 HydrophobicContact CE-CB 3.79Å; M603-E619 HydrophobicContact CE-CB 3.94Å; M603-V625 HydrophobicContact CE-CG2 4.21Å; M603-V625 HydrophobicContact SD-CB 4.34Å; M603-V625 HydrophobicContact SD-CG2 4.17Å; M603-P635 HydrophobicContact CB-CG 4.27Å; M603-P635 HydrophobicContact CG-CB 4.07Å; M603-P635 HydrophobicContact CG-CG 3.96Å; M603-P635 HydrophobicContact SD-CB 4.47Å; M603-P635 HydrophobicContact SD-CG 4.18Å; M603-L651 HydrophobicContact CG-CD2 4.42Å; M603-L651 HydrophobicContact SD-CD2 3.98Å
604H97.6Very high94.8Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-61.1-46.8172.7-70.678.2000110.6W600 T601 A607 L608 A627 G629 W633 L638W600-H604 HydrophobicContact CB-CB 4.02Å; W600-H604 HydrophobicContact CG-CB 4.29Å; T601-H604 PolarHBondContact N-ND1 2.97Å; T601-H604 VanDerWaalsContact N-ND1 3.11Å; T601-H604 WeakPolarHBondContact O-CB 3.43Å; T601-H604 PolarHBondContact O-N 3.07Å; T601-H604 PolarHBondContact OG1-ND1 3.44Å; H604-A607 PolarHBondContact O-N 3.38Å; H604-L608 VanDerWaalsContact O-CB 3.29Å; H604-L608 WeakPolarHBondContact O-CB 3.43Å; H604-L608 PolarHBondContact O-N 2.87Å; H604-A627 PolarHBondContact CE1-O 2.5Å; H604-A627 PolarHBondContact NE2-O 3.17Å; H604-A627 VanDerWaalsContact NE2-O 3.12Å; H604-G629 PolarHBondContact NE2-N 2.98Å; H604-W633 PolarHBondContact NE2-O 3.25Å; H604-W633 VanDerWaalsContact NE2-O 3.1Å; H604-L638 HydrophobicContact CB-CD1 3.57Å; H604-L638 WeakPolarHBondContact O-CD1 3.45Å
605L96.4Very high95Very high13 Ų1335.9 Ų35.97%0.06818%0.183CC..Hα-helixtrans-66.2-41.2-178.7-58.2-177.6000112.1H571 L575 W600 T601 P602 M603 R609H571-L605 HydrophobicContact CB-CD1 3.69Å; H571-L605 WeakPolarHBondContact O-CD1 3.41Å; L575-L605 HydrophobicContact CB-CB 4.05Å; L575-L605 HydrophobicContact CB-CD1 4.2Å; L575-L605 HydrophobicContact CD1-CB 4.09Å; L575-L605 HydrophobicContact CD1-CD2 4.32Å; W600-L605 HydrophobicContact CE3-CD2 3.57Å; W600-L605 HydrophobicContact CZ3-CD2 4.19Å; T601-L605 PolarHBondContact O-N 3.12Å; P602-L605 PolarHBondContact O-N 3.41Å; M603-L605 VanDerWaalsContact C-N 3.35Å; L605-R609 PolarHBondContact O-N 2.9Å
606A97.2Very high95.1Very high0 Ų033.6 Ų33.60%018%0.178CC..Hα-helixtrans-63.5-41.9174.500000111.7A574 P602 R609 G610 H611 V614 V615 L618A574-A606 HydrophobicContact CB-CB 4.35Å; P602-A606 PolarHBondContact O-N 3.2Å; A606-R609 PolarHBondContact O-N 3.14Å; A606-G610 PolarHBondContact O-N 3.26Å; A606-H611 HydrophobicContact CB-CB 4.28Å; A606-H611 PolarHBondContact O-N 2.86Å; A606-V614 HydrophobicContact CB-CB 4.01Å; A606-V614 HydrophobicContact CB-CG1 3.7Å; A606-V615 HydrophobicContact CB-CG2 3.77Å; A606-L618 HydrophobicContact CB-CD1 4.46Å
607A95.9Very high95.3Very high0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-68.4-38.917900000112.8M603 H604 R609 G610 V615 P635 A639 V647 L651M603-A607 VanDerWaalsContact O-CB 3.25Å; M603-A607 WeakPolarHBondContact O-CB 3.39Å; M603-A607 PolarHBondContact O-N 3.2Å; H604-A607 PolarHBondContact O-N 3.38Å; A607-R609 PolarHBondContact O-N 2.95Å; A607-G610 PolarHBondContact O-N 3.2Å; A607-V615 HydrophobicContact CB-CG2 4.47Å; A607-P635 HydrophobicContact CB-CB 3.9Å; A607-P635 WeakPolarHBondContact CB-O 3.32Å; A607-A639 HydrophobicContact CB-CB 4.36Å; A607-V647 HydrophobicContact CB-CG1 3.99Å; A607-L651 HydrophobicContact CB-CD1 4.25Å
608L92.9Very high95.6Very high21 Ų2128.8 Ų28.811%0.1115%0.152CC..Hα-helixtrans-62.3-22.5174.917765.9000113.3W600 H604 L638 Q642W600-L608 HydrophobicContact CH2-CD2 4.47Å; W600-L608 HydrophobicContact CZ3-CD2 4.11Å; H604-L608 VanDerWaalsContact O-CB 3.29Å; H604-L608 WeakPolarHBondContact O-CB 3.43Å; H604-L608 PolarHBondContact O-N 2.87Å; L608-L638 HydrophobicContact CB-CB 4.28Å; L608-L638 HydrophobicContact CB-CD1 4.41Å; L608-L638 HydrophobicContact CD1-CD2 4.06Å; L608-Q642 HydrophobicContact CD1-CG 3.79Å; L608-Q642 WeakPolarHBondContact O-CG 3.12Å
609R90.5Very high96Very high127 Ų12727.8 Ų27.848%0.47915%0.147SC..THydrogen-bonded Turntrans-113.610.6-177.8-66.2-68.2-175-102.9-0113.8L575 L605 A606 A607 H611L575-R609 HydrophobicContact CD1-CG 3.84Å; L605-R609 PolarHBondContact O-N 2.9Å; A606-R609 PolarHBondContact O-N 3.14Å; A607-R609 PolarHBondContact O-N 2.95Å; R609-H611 VanDerWaalsContact C-N 3.31Å; R609-H611 WeakPolarHBondContact CB-NE2 3.19Å; R609-H611 PolarHBondContact O-CE1 3.28Å; R609-H611 PolarHBondContact O-N 3.41Å; R609-H611 PolarHBondContact O-ND1 3.31Å
610G92.7Very high96.2Very high19 Ų1932.2 Ų32.220%0.19617%0.167CC..THydrogen-bonded Turntrans72.419.1176.400000114.7A606 A607 E612 E644A606-G610 PolarHBondContact O-N 3.26Å; A607-G610 PolarHBondContact O-N 3.2Å; G610-E612 PolarHBondContact O-N 2.73Å; G610-E644 VanDerWaalsContact CA-CD 3.45Å; G610-E644 WeakPolarHBondContact CA-OE2 3.19Å
611H96.1Very high96.2Very high54 Ų5434.7 Ų34.725%0.2518%0.179CC..  trans-85.673-173.2-62.6-33.9000112.7A574 L575 G577 A606 R609 A613 V614 V615A574-H611 PolarHBondContact O-CD2 3.04Å; A574-H611 VanDerWaalsContact O-CD2 3.31Å; L575-H611 PolarHBondContact O-NE2 3.5Å; G577-H611 WeakPolarHBondContact CA-CD2 3.33Å; G577-H611 VanDerWaalsContact CA-CG 3.42Å; G577-H611 PolarHBondContact N-CD2 3.29Å; G577-H611 PolarHBondContact N-NE2 3.39Å; A606-H611 HydrophobicContact CB-CB 4.28Å; A606-H611 PolarHBondContact O-N 2.86Å; R609-H611 VanDerWaalsContact C-N 3.31Å; R609-H611 WeakPolarHBondContact CB-NE2 3.19Å; R609-H611 PolarHBondContact O-CE1 3.28Å; R609-H611 PolarHBondContact O-N 3.41Å; R609-H611 PolarHBondContact O-ND1 3.31Å; H611-A613 PolarHBondContact O-N 3.47Å; H611-V614 HydrophobicContact CB-CB 4.16Å; H611-V614 HydrophobicContact CB-CG2 4.16Å; H611-V614 WeakPolarHBondContact O-CB 3.45Å; H611-V614 PolarHBondContact O-N 3.01Å; H611-V614 VanDerWaalsContact O-N 3.07Å; H611-V615 PolarHBondContact O-N 3.12Å; H611-V615 VanDerWaalsContact O-N 3.09Å
612E95.4Very high96Very high82 Ų8237 Ų3738%0.38320%0.203SC..Hα-helixtrans-53.6-44.6-175.752.6150-149.600114.5G610 V614 V615 V616 V647 K650G610-E612 PolarHBondContact O-N 2.73Å; E612-V614 PolarHBondContact O-N 3.32Å; E612-V615 PolarHBondContact O-N 3.48Å; E612-V615 VanDerWaalsContact O-N 3.14Å; E612-V616 WeakPolarHBondContact O-CG2 3.34Å; E612-V616 PolarHBondContact O-N 3.21Å; E612-V647 HydrophobicContact CB-CG2 4.09Å; E612-K650 HydrophobicContact CB-CG 4.42Å
613A96Very high95.8Very high59 Ų5937.4 Ų37.449%0.48821%0.207SC..Hα-helixtrans-62.9-32.1-178.900000112.3A579 H611 L617A579-A613 HydrophobicContact CB-CB 4.34Å; H611-A613 PolarHBondContact O-N 3.47Å; A613-L617 VanDerWaalsContact O-CB 3.26Å; A613-L617 WeakPolarHBondContact O-CB 3.26Å; A613-L617 PolarHBondContact O-N 3.44Å; A613-L617 VanDerWaalsContact O-N 3.15Å
614V97.4Very high95.7Very high2 Ų239.9 Ų39.91%0.01223%0.225CC..Hα-helixtrans-75.1-41.8175.9177.50000110.6A574 A579 A606 H611 E612 L617 L618A574-V614 HydrophobicContact CB-CG1 3.83Å; A579-V614 HydrophobicContact CB-CG2 3.94Å; A606-V614 HydrophobicContact CB-CB 4.01Å; A606-V614 HydrophobicContact CB-CG1 3.7Å; H611-V614 HydrophobicContact CB-CB 4.16Å; H611-V614 HydrophobicContact CB-CG2 4.16Å; H611-V614 WeakPolarHBondContact O-CB 3.45Å; H611-V614 PolarHBondContact O-N 3.01Å; H611-V614 VanDerWaalsContact O-N 3.07Å; E612-V614 PolarHBondContact O-N 3.32Å; V614-L617 WeakPolarHBondContact O-CB 3.09Å; V614-L617 PolarHBondContact O-N 3.34Å; V614-L618 HydrophobicContact CG1-CD1 3.73Å; V614-L618 HydrophobicContact CG1-CG 4.16Å; V614-L618 WeakPolarHBondContact O-CB 3.44Å; V614-L618 VanDerWaalsContact O-CG 3.32Å; V614-L618 WeakPolarHBondContact O-CG 3.38Å; V614-L618 PolarHBondContact O-N 3.48Å
615V97.6Very high95.7Very high3 Ų340.6 Ų40.62%0.01823%0.229CC..Hα-helixtrans-58.5-50.3176.9170.80000110.8M603 A606 A607 H611 E612 L617 L618 E619 V647 L651M603-V615 HydrophobicContact CG-CG1 4.46Å; A606-V615 HydrophobicContact CB-CG2 3.77Å; A607-V615 HydrophobicContact CB-CG2 4.47Å; H611-V615 PolarHBondContact O-N 3.12Å; H611-V615 VanDerWaalsContact O-N 3.09Å; E612-V615 PolarHBondContact O-N 3.48Å; E612-V615 VanDerWaalsContact O-N 3.14Å; V615-L617 VanDerWaalsContact C-N 3.29Å; V615-L617 PolarHBondContact O-N 3.05Å; V615-L618 PolarHBondContact O-N 3Å; V615-E619 WeakPolarHBondContact O-CB 3.33Å; V615-E619 PolarHBondContact O-N 2.73Å; V615-V647 HydrophobicContact CG2-CG1 4.09Å; V615-L651 HydrophobicContact CG1-CD2 3.47Å; V615-L651 VanDerWaalsContact CG1-CD2 3.47Å; V615-L651 HydrophobicContact CG1-CG 3.93Å
616V97Very high95.6Very high55 Ų5543 Ų4333%0.33324%0.242SC..Hα-helixtrans-59.8-41.7176.6173.40000110.8E612 N620 K650E612-V616 WeakPolarHBondContact O-CG2 3.34Å; E612-V616 PolarHBondContact O-N 3.21Å; V616-N620 WeakPolarHBondContact CG1-ND2 3.47Å; V616-N620 WeakPolarHBondContact O-CB 3.46Å; V616-N620 PolarHBondContact O-N 3.32Å; V616-N620 VanDerWaalsContact O-N 3.07Å; V616-N620 PolarHBondContact O-ND2 3.05Å; V616-K650 HydrophobicContact CG2-CB 4.06Å; V616-K650 HydrophobicContact CG2-CD 4.05Å; V616-K650 HydrophobicContact CG2-CG 3.9Å
617L97.4Very high95.6Very high10 Ų1043.5 Ų43.55%0.05225%0.246CC..Hα-helixtrans-65.1-43.1178.6173.965.5000112.9A579 C582 R583 L586 A613 V614 V615 K621A579-L617 VanDerWaalsContact O-CD2 3.29Å; A579-L617 WeakPolarHBondContact O-CD2 3.3Å; C582-L617 HydrophobicContact CB-CD2 3.65Å; R583-L617 HydrophobicContact CB-CD1 4.26Å; R583-L617 HydrophobicContact CB-CD2 3.87Å; R583-L617 HydrophobicContact CG-CD1 4.28Å; L586-L617 HydrophobicContact CD1-CD2 4.37Å; L586-L617 HydrophobicContact CD1-CG 4.05Å; A613-L617 VanDerWaalsContact O-CB 3.26Å; A613-L617 WeakPolarHBondContact O-CB 3.26Å; A613-L617 PolarHBondContact O-N 3.44Å; A613-L617 VanDerWaalsContact O-N 3.15Å; V614-L617 WeakPolarHBondContact O-CB 3.09Å; V614-L617 PolarHBondContact O-N 3.34Å; V615-L617 VanDerWaalsContact C-N 3.29Å; V615-L617 PolarHBondContact O-N 3.05Å; L617-K621 HydrophobicContact CD1-CG 4.44Å; L617-K621 WeakPolarHBondContact O-CG 3.4Å; L617-K621 PolarHBondContact O-N 3.33Å
618L97.3Very high95.6Very high0 Ų048.2 Ų48.20%027%0.267CS..Hα-helixtrans-65.5-42.5179.7-74.8167.7000111L570 A574 L586 P592 P602 M603 A606 V614 V615 K621 G622 G623L570-L618 HydrophobicContact CD1-CD2 4.28Å; L570-L618 HydrophobicContact CD2-CD2 4.15Å; L570-L618 HydrophobicContact CG-CD2 4.42Å; A574-L618 HydrophobicContact CB-CD1 4.43Å; L586-L618 HydrophobicContact CD1-CD2 4Å; L586-L618 HydrophobicContact CD2-CD2 4.32Å; P592-L618 HydrophobicContact CB-CD2 4.14Å; P602-L618 HydrophobicContact CB-CD1 3.95Å; P602-L618 HydrophobicContact CB-CD2 4.1Å; M603-L618 HydrophobicContact CB-CD1 3.99Å; M603-L618 HydrophobicContact CE-CB 3.79Å; A606-L618 HydrophobicContact CB-CD1 4.46Å; V614-L618 HydrophobicContact CG1-CD1 3.73Å; V614-L618 HydrophobicContact CG1-CG 4.16Å; V614-L618 WeakPolarHBondContact O-CB 3.44Å; V614-L618 VanDerWaalsContact O-CG 3.32Å; V614-L618 WeakPolarHBondContact O-CG 3.38Å; V614-L618 PolarHBondContact O-N 3.48Å; V615-L618 PolarHBondContact O-N 3Å; L618-K621 CarbonylContact O-C 3.58Å; L618-K621 PolarHBondContact O-N 2.85Å; L618-K621 VanDerWaalsContact O-N 3.13Å; L618-G622 PolarHBondContact O-N 3.46Å; L618-G623 WeakPolarHBondContact O-CA 3.3Å; L618-G623 PolarHBondContact O-N 3.45Å
619E96.9Very high95.5Very high70 Ų7047.8 Ų47.833%0.32727%0.267SS..Hα-helixtrans-57.9-52.5174.5177.7-83.8156.700111.5M603 V615 K621 G622 V625 A654M603-E619 HydrophobicContact CE-CB 3.94Å; V615-E619 WeakPolarHBondContact O-CB 3.33Å; V615-E619 PolarHBondContact O-N 2.73Å; E619-K621 PolarHBondContact O-N 3.14Å; E619-G622 PolarHBondContact O-N 3.19Å; E619-V625 HydrophobicContact CB-CG2 4.48Å; E619-V625 HydrophobicContact CG-CG2 4.03Å; E619-A654 HydrophobicContact CG-CB 3.64Å
620N96.1Very high95.5Very high111 Ų11145.7 Ų45.759%0.59426%0.263SS*.Hα-helixtrans-58.9-17.4176.8-80.8-65.6000113.9V616V616-N620 WeakPolarHBondContact CG1-ND2 3.47Å; V616-N620 WeakPolarHBondContact O-CB 3.46Å; V616-N620 PolarHBondContact O-N 3.32Å; V616-N620 VanDerWaalsContact O-N 3.07Å; V616-N620 PolarHBondContact O-ND2 3.05Å
621K95.9Very high95.4Very high101 Ų10148.2 Ų48.244%0.43927%0.272SS..THydrogen-bonded Turntrans-105.814.9178.6-68-66-174.5178.10113.3L586 L617 L618 E619L586-K621 HydrophobicContact CB-CB 4.42Å; L586-K621 HydrophobicContact CB-CG 4.15Å; L586-K621 HydrophobicContact CD1-CB 3.97Å; L586-K621 HydrophobicContact CD1-CG 3.91Å; L586-K621 HydrophobicContact CD2-CB 4.18Å; L586-K621 HydrophobicContact CG-CB 4.42Å; L586-K621 HydrophobicContact CG-CG 4.49Å; L617-K621 HydrophobicContact CD1-CG 4.44Å; L617-K621 WeakPolarHBondContact O-CG 3.4Å; L617-K621 PolarHBondContact O-N 3.33Å; L618-K621 CarbonylContact O-C 3.58Å; L618-K621 PolarHBondContact O-N 2.85Å; L618-K621 VanDerWaalsContact O-N 3.13Å; E619-K621 PolarHBondContact O-N 3.14Å
622G93.2Very high95.3Very high50 Ų5045.7 Ų45.752%0.51526%0.26SS..THydrogen-bonded Turntrans87.919.1174.600000114.5N593 L618 E619N593-G622 PolarHBondContact ND2-O 3.1Å; L618-G622 PolarHBondContact O-N 3.46Å; E619-G622 PolarHBondContact O-N 3.19Å
623G95.2Very high95.4Very high8 Ų844 Ų448%0.08225%0.25CS..  trans-66.6131.2170.700000111.6L618 V625L618-G623 WeakPolarHBondContact O-CA 3.3Å; L618-G623 PolarHBondContact O-N 3.45Å; G623-V625 PolarHBondContact O-N 3.23Å
624S95.9Very high95.4Very high53 Ų5341.2 Ų41.237%0.37123%0.227SC..  trans-75.6104.4-178.7172.50000110.8N593 N626 A627N593-S624 WeakPolarHBondContact OD1-CB 3.42Å; N593-S624 PolarHBondContact OD1-N 2.79Å; S624-N626 PolarHBondContact O-N 2.85Å; S624-A627 VanDerWaalsContact O-CB 3.31Å; S624-A627 WeakPolarHBondContact O-CB 3.44Å; S624-A627 PolarHBondContact O-N 2.8Å; S624-A627 VanDerWaalsContact O-N 3.14Å; S624-A627 PolarHBondContact OG-N 3.19Å
625V96.1Very high95.5Very high14 Ų1441.1 Ų41.19%0.08523%0.227CC..THydrogen-bonded Turntrans-59.8-33.4179.5-176.20000112.8M603 E619 G623 P635 L651 A654 A656M603-V625 HydrophobicContact CE-CG2 4.21Å; M603-V625 HydrophobicContact SD-CB 4.34Å; M603-V625 HydrophobicContact SD-CG2 4.17Å; E619-V625 HydrophobicContact CB-CG2 4.48Å; E619-V625 HydrophobicContact CG-CG2 4.03Å; G623-V625 PolarHBondContact O-N 3.23Å; V625-P635 WeakPolarHBondContact O-CD 3.36Å; V625-L651 HydrophobicContact CG1-CD2 3.94Å; V625-A654 HydrophobicContact CG1-CB 4.39Å; V625-A654 HydrophobicContact CG2-CB 3.96Å; V625-A656 HydrophobicContact CG1-CB 3.52Å
626N95.8Very high95.5Very high63 Ų6341 Ų4134%0.33723%0.226SC..THydrogen-bonded Turntrans-102.220.7-179.8-65-45.3000113S624 K628 K655 A656 D657S624-N626 PolarHBondContact O-N 2.85Å; N626-K628 PolarHBondContact O-N 2.99Å; N626-K655 PolarHBondContact ND2-O 3.36Å; N626-A656 WeakPolarHBondContact OD1-CA 3.49Å; N626-D657 PolarHBondContact OD1-N 3.13Å
627A96.1Very high95.5Very high11 Ų1138.4 Ų38.49%0.09121%0.21CC..  trans-60.4136.6175.500000110.1T601 H604 S624 T634 P635T601-A627 HydrophobicContact CG2-CB 3.91Å; H604-A627 PolarHBondContact CE1-O 2.5Å; H604-A627 PolarHBondContact NE2-O 3.17Å; H604-A627 VanDerWaalsContact NE2-O 3.12Å; S624-A627 VanDerWaalsContact O-CB 3.31Å; S624-A627 WeakPolarHBondContact O-CB 3.44Å; S624-A627 PolarHBondContact O-N 2.8Å; S624-A627 VanDerWaalsContact O-N 3.14Å; S624-A627 PolarHBondContact OG-N 3.19Å; A627-T634 WeakPolarHBondContact O-CA 3.26Å; A627-P635 WeakPolarHBondContact O-CD 3.49Å
628K95.3Very high95.4Very high100 Ų10038.1 Ų38.144%0.43521%0.209SC..  trans-96.6125.7174.5-65.1-173.7179-169.30110.5K595 N626 T634K595-K628 PolarHBondContact NZ-O 3.47Å; N626-K628 PolarHBondContact O-N 2.99Å; K628-T634 HydrophobicContact CG-CG2 4.32Å
629G92.7Very high95.3Very high12 Ų1238.1 Ų38.112%0.12421%0.209CC..  trans-96.8-154171.500000112.6Q598 G599 H604 G632 W633Q598-G629 CarbonylContact O-C 3.21Å; G599-G629 WeakPolarHBondContact O-CA 3.18Å; H604-G629 PolarHBondContact NE2-N 2.98Å; G629-G632 PolarHBondContact O-N 3.31Å; G629-G632 VanDerWaalsContact O-N 3.1Å; G629-W633 PolarHBondContact N-O 3.1Å
630Q90.5Very high95.2Very high83 Ų8334.8 Ų34.839%0.38819%0.193SC..G310 helixtrans-55138.3174.6-172.9168.49.300111Q598 G632 W633Q598-Q630 HydrophobicContact CB-CB 4.2Å; Q598-Q630 VanDerWaalsContact CG-OE1 3.27Å; Q598-Q630 WeakPolarHBondContact O-CA 3.45Å; Q598-Q630 VanDerWaalsContact O-CB 3.25Å; Q598-Q630 WeakPolarHBondContact O-CB 3.22Å; Q598-Q630 PolarHBondContact O-N 3.21Å; Q630-G632 PolarHBondContact O-N 3.46Å; Q630-W633 PolarHBondContact O-N 3.14Å
631N90.5Very high95Very high72 Ų7233.4 Ų33.439%0.38518%0.183SC..G310 helixtrans57.623.1-176.1-51.2-21.9000113.4W633 E662 E663N631-W633 PolarHBondContact O-N 3.06Å; N631-E662 WeakPolarHBondContact O-CB 3.43Å; N631-E663 PolarHBondContact O-N 3.45Å
632G93.4Very high94.6Very high0 Ų032.2 Ų32.20%018%0.179CC..G310 helixtrans719.2-177.500000115.1G629 Q630 E663G629-G632 PolarHBondContact O-N 3.31Å; G629-G632 VanDerWaalsContact O-N 3.1Å; Q630-G632 PolarHBondContact O-N 3.46Å; G632-E663 PolarHBondContact N-OE2 3.22Å
633W96.3Very high94.5Very high48 Ų4832.1 Ų32.118%0.18217%0.17CC..  trans-65.6136.2-179.8-78.943000110.7H604 G629 Q630 N631 H637 L638 H641 E662 L672H604-W633 PolarHBondContact NE2-O 3.25Å; H604-W633 VanDerWaalsContact NE2-O 3.1Å; G629-W633 PolarHBondContact N-O 3.1Å; Q630-W633 PolarHBondContact O-N 3.14Å; N631-W633 PolarHBondContact O-N 3.06Å; W633-H637 HydrophobicContact CB-CB 4.26Å; W633-H637 HydrophobicContact CD2-CB 4.05Å; W633-H637 HydrophobicContact CE3-CB 3.85Å; W633-H637 HydrophobicContact CG-CB 4.23Å; W633-L638 HydrophobicContact CD2-CD2 4.5Å; W633-L638 HydrophobicContact CE3-CD2 3.39Å; W633-L638 HydrophobicContact CE3-CG 3.89Å; W633-L638 HydrophobicContact CZ3-CD2 3.75Å; W633-L638 HydrophobicContact CZ3-CG 4.5Å; W633-H641 HydrophobicContact CH2-CB 4.14Å; W633-H641 AromaticContact CH2-CD2 3.76Å; W633-H641 AromaticContact CH2-CG 3.97Å; W633-H641 HydrophobicContact CZ3-CB 3.87Å; W633-E662 VanDerWaalsContact CD1-CB 3.49Å; W633-E662 HydrophobicContact CG-CB 4.46Å; W633-L672 HydrophobicContact CH2-CD1 4.29Å; W633-L672 HydrophobicContact CH2-CD2 4.26Å; W633-L672 HydrophobicContact CZ2-CD1 4.47Å; W633-L672 HydrophobicContact CZ2-CD2 4.4Å; W633-L672 HydrophobicContact CZ3-CD1 4.42Å
634T97.9Very high94.4Very high0 Ų035 Ų350%018%0.181CC..  trans-98.8165.8172.270.20000110.5A627 K628 L636 H637 L638 V660A627-T634 WeakPolarHBondContact O-CA 3.26Å; K628-T634 HydrophobicContact CG-CG2 4.32Å; T634-L636 PolarHBondContact O-N 3.24Å; T634-L636 VanDerWaalsContact O-N 3.13Å; T634-L636 PolarHBondContact OG1-N 3.31Å; T634-H637 PolarHBondContact N-ND1 2.95Å; T634-H637 WeakPolarHBondContact O-CB 3.49Å; T634-H637 PolarHBondContact O-N 3.2Å; T634-H637 PolarHBondContact OG1-N 3.34Å; T634-H637 PolarHBondContact OG1-ND1 3.36Å; T634-L638 PolarHBondContact O-N 2.93Å; T634-V660 HydrophobicContact CG2-CB 4.18Å; T634-V660 HydrophobicContact CG2-CG1 3.76Å; T634-V660 HydrophobicContact CG2-CG2 4.36Å
635P97.8Very high94.2Very high0 Ų033.9 Ų33.90%017%0.173CC..Hα-helixtrans-51.8-34.4171.4-27.735.8000113.1M603 A607 V625 A627 L638 A639 L651M603-P635 HydrophobicContact CB-CG 4.27Å; M603-P635 HydrophobicContact CG-CB 4.07Å; M603-P635 HydrophobicContact CG-CG 3.96Å; M603-P635 HydrophobicContact SD-CB 4.47Å; M603-P635 HydrophobicContact SD-CG 4.18Å; A607-P635 HydrophobicContact CB-CB 3.9Å; A607-P635 WeakPolarHBondContact CB-O 3.32Å; V625-P635 WeakPolarHBondContact O-CD 3.36Å; A627-P635 WeakPolarHBondContact O-CD 3.49Å; P635-L638 PolarHBondContact O-N 3.34Å; P635-A639 PolarHBondContact O-N 2.81Å; P635-L651 HydrophobicContact CB-CD1 4.08Å; P635-L651 HydrophobicContact CB-CD2 4.12Å
636L97.9Very high94.1Very high0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-67-39.1177.4-173.462.3000112.4T634 L638 A639 C640 V648 L651 L652 A656 P658 P669 L685T634-L636 PolarHBondContact O-N 3.24Å; T634-L636 VanDerWaalsContact O-N 3.13Å; T634-L636 PolarHBondContact OG1-N 3.31Å; L636-L638 VanDerWaalsContact C-N 3.34Å; L636-L638 PolarHBondContact O-N 3.1Å; L636-A639 PolarHBondContact O-N 3.37Å; L636-C640 WeakPolarHBondContact O-CB 3.37Å; L636-C640 PolarHBondContact O-N 3.13Å; L636-C640 PolarHBondContact O-SG 2.85Å; L636-V648 HydrophobicContact CD1-CB 4.34Å; L636-V648 HydrophobicContact CD1-CG1 3.99Å; L636-V648 HydrophobicContact CD1-CG2 4.28Å; L636-L651 HydrophobicContact CB-CD1 4.31Å; L636-L651 HydrophobicContact CD1-CB 4.17Å; L636-L651 HydrophobicContact CD1-CD1 4.27Å; L636-L652 HydrophobicContact CD1-CD2 4.36Å; L636-L652 HydrophobicContact CD1-CG 4.23Å; L636-L652 HydrophobicContact CD2-CD2 3.82Å; L636-A656 HydrophobicContact CB-CB 4.37Å; L636-A656 HydrophobicContact CD2-CB 3.92Å; L636-P658 HydrophobicContact CD2-CB 4.31Å; L636-P669 HydrophobicContact CB-CG 4.38Å; L636-P669 HydrophobicContact CD2-CB 4.1Å; L636-P669 HydrophobicContact CD2-CG 3.86Å; L636-P669 HydrophobicContact CG-CB 3.92Å; L636-P669 HydrophobicContact CG-CG 3.9Å; L636-L685 HydrophobicContact CD1-CD2 4.37Å; L636-L685 HydrophobicContact CD2-CD2 4.03Å; L636-L685 HydrophobicContact CG-CD2 4.41Å
637H96.8Very high94.1Very high0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-59.2-46.6173.1-70.783000111.3W633 T634 C640 H641 V660 W667 P669 L672W633-H637 HydrophobicContact CB-CB 4.26Å; W633-H637 HydrophobicContact CD2-CB 4.05Å; W633-H637 HydrophobicContact CE3-CB 3.85Å; W633-H637 HydrophobicContact CG-CB 4.23Å; T634-H637 PolarHBondContact N-ND1 2.95Å; T634-H637 WeakPolarHBondContact O-CB 3.49Å; T634-H637 PolarHBondContact O-N 3.2Å; T634-H637 PolarHBondContact OG1-N 3.34Å; T634-H637 PolarHBondContact OG1-ND1 3.36Å; H637-C640 PolarHBondContact O-N 3.06Å; H637-H641 WeakPolarHBondContact O-CB 3.29Å; H637-H641 PolarHBondContact O-N 3.41Å; H637-V660 PolarHBondContact CE1-O 3.45Å; H637-V660 PolarHBondContact NE2-O 2.61Å; H637-V660 VanDerWaalsContact NE2-O 3.1Å; H637-W667 PolarHBondContact NE2-O 3.02Å; H637-P669 WeakPolarHBondContact NE2-CD 3.48Å; H637-L672 HydrophobicContact CB-CD1 3.73Å
638L95.4Very high94.1Very high5 Ų534.4 Ų34.43%0.02617%0.171CC..Hα-helixtrans-63.4-43.5-179.9-66.1167.8000111.8H604 L608 W633 T634 P635 L636 H641 Q642H604-L638 HydrophobicContact CB-CD1 3.57Å; H604-L638 WeakPolarHBondContact O-CD1 3.45Å; L608-L638 HydrophobicContact CB-CB 4.28Å; L608-L638 HydrophobicContact CB-CD1 4.41Å; L608-L638 HydrophobicContact CD1-CD2 4.06Å; W633-L638 HydrophobicContact CD2-CD2 4.5Å; W633-L638 HydrophobicContact CE3-CD2 3.39Å; W633-L638 HydrophobicContact CE3-CG 3.89Å; W633-L638 HydrophobicContact CZ3-CD2 3.75Å; W633-L638 HydrophobicContact CZ3-CG 4.5Å; T634-L638 PolarHBondContact O-N 2.93Å; P635-L638 PolarHBondContact O-N 3.34Å; L636-L638 VanDerWaalsContact C-N 3.34Å; L636-L638 PolarHBondContact O-N 3.1Å; L638-H641 PolarHBondContact O-N 3.44Å; L638-Q642 WeakPolarHBondContact O-CG 3.41Å; L638-Q642 PolarHBondContact O-N 2.85Å; L638-Q642 VanDerWaalsContact O-N 3.07Å
639A96.1Very high94.2Very high0 Ų032.1 Ų32.10%016%0.163CC..Hα-helixtrans-63.2-42.3177.200000112A607 P635 L636 Q642 S643 E644 V647 V648 L651A607-A639 HydrophobicContact CB-CB 4.36Å; P635-A639 PolarHBondContact O-N 2.81Å; L636-A639 PolarHBondContact O-N 3.37Å; A639-Q642 PolarHBondContact O-N 3.3Å; A639-S643 PolarHBondContact O-N 3.06Å; A639-S643 VanDerWaalsContact O-N 3.09Å; A639-E644 HydrophobicContact CB-CB 4.48Å; A639-E644 PolarHBondContact O-N 3.15Å; A639-V647 HydrophobicContact CB-CB 4.24Å; A639-V647 HydrophobicContact CB-CG1 3.77Å; A639-V648 HydrophobicContact CB-CG2 3.7Å; A639-L651 HydrophobicContact CB-CD1 4.09Å
640C93.9Very high94.3Very high0 Ų035.3 Ų35.30%017%0.174CC..Hα-helixtrans-66.6-41.4176.2-68.20000112.4L636 H637 Q642 S643 P669 L672 A673L636-C640 WeakPolarHBondContact O-CB 3.37Å; L636-C640 PolarHBondContact O-N 3.13Å; L636-C640 PolarHBondContact O-SG 2.85Å; H637-C640 PolarHBondContact O-N 3.06Å; C640-Q642 VanDerWaalsContact C-N 3.31Å; C640-Q642 PolarHBondContact O-N 3.04Å; C640-S643 PolarHBondContact O-N 3.22Å; C640-P669 HydrophobicContact CB-CB 4.47Å; C640-L672 HydrophobicContact CB-CB 4.17Å; C640-A673 HydrophobicContact CB-CB 4.27Å
641H92.5Very high94.7Very high81 Ų8131.3 Ų31.338%0.37516%0.155SC..Hα-helixtrans-59.7-42.4176.6178.5-89.3000111.7W633 H637 L638 S643 S676W633-H641 HydrophobicContact CH2-CB 4.14Å; W633-H641 AromaticContact CH2-CD2 3.76Å; W633-H641 AromaticContact CH2-CG 3.97Å; W633-H641 HydrophobicContact CZ3-CB 3.87Å; H637-H641 WeakPolarHBondContact O-CB 3.29Å; H637-H641 PolarHBondContact O-N 3.41Å; L638-H641 PolarHBondContact O-N 3.44Å; H641-S643 VanDerWaalsContact C-N 3.31Å; H641-S643 PolarHBondContact O-N 2.94Å; H641-S676 PolarHBondContact O-OG 2.65Å
642Q88.5Confident95Very high76 Ų7628.2 Ų28.236%0.35514%0.138SC..THydrogen-bonded Turntrans-84.31.3178.8-60.6-62.2-17.100114.4L608 L638 A639 C640 E644L608-Q642 HydrophobicContact CD1-CG 3.79Å; L608-Q642 WeakPolarHBondContact O-CG 3.12Å; L638-Q642 WeakPolarHBondContact O-CG 3.41Å; L638-Q642 PolarHBondContact O-N 2.85Å; L638-Q642 VanDerWaalsContact O-N 3.07Å; A639-Q642 PolarHBondContact O-N 3.3Å; C640-Q642 VanDerWaalsContact C-N 3.31Å; C640-Q642 PolarHBondContact O-N 3.04Å; Q642-E644 VanDerWaalsContact C-N 3.28Å; Q642-E644 HydrophobicContact CB-CG 3.87Å; Q642-E644 PolarHBondContact O-N 3.02Å
643S91.1Very high95Very high48 Ų4831.7 Ų31.734%0.33617%0.168SC..THydrogen-bonded Turntrans61.829.2-178.2-50.90000115A639 C640 H641 S645A639-S643 PolarHBondContact O-N 3.06Å; A639-S643 VanDerWaalsContact O-N 3.09Å; C640-S643 PolarHBondContact O-N 3.22Å; H641-S643 VanDerWaalsContact C-N 3.31Å; H641-S643 PolarHBondContact O-N 2.94Å; S643-S645 VanDerWaalsContact C-N 3.33Å; S643-S645 PolarHBondContact O-N 3.18Å
644E92.4Very high94.9Very high69 Ų6930.5 Ų30.532%0.32217%0.168SC..  trans-83.172.5-178-63.4-64.217000111.4G610 A639 Q642 E646 V647 V648G610-E644 VanDerWaalsContact CA-CD 3.45Å; G610-E644 WeakPolarHBondContact CA-OE2 3.19Å; A639-E644 HydrophobicContact CB-CB 4.48Å; A639-E644 PolarHBondContact O-N 3.15Å; Q642-E644 VanDerWaalsContact C-N 3.28Å; Q642-E644 HydrophobicContact CB-CG 3.87Å; Q642-E644 PolarHBondContact O-N 3.02Å; E644-E646 VanDerWaalsContact C-N 3.33Å; E644-E646 PolarHBondContact O-N 3.23Å; E644-V647 HydrophobicContact CB-CB 4.07Å; E644-V647 HydrophobicContact CB-CG2 4.25Å; E644-V647 PolarHBondContact O-N 3.07Å; E644-V647 VanDerWaalsContact O-N 3.08Å; E644-V648 WeakPolarHBondContact O-CG2 3.44Å; E644-V648 PolarHBondContact O-N 3.38Å
645S91.8Very high94.7Very high29 Ų2939.1 Ų39.120%0.20321%0.205CC..Hα-helixtrans-55.5-38.7-171.658.80000115.1S643 V648 L649S643-S645 VanDerWaalsContact C-N 3.33Å; S643-S645 PolarHBondContact O-N 3.18Å; S645-V648 WeakPolarHBondContact O-CB 3.4Å; S645-V648 PolarHBondContact O-N 2.95Å; S645-L649 PolarHBondContact O-N 3.49Å
646E94.3Very high94.7Very high100 Ų10039.4 Ų39.447%0.46721%0.207SC..Hα-helixtrans-65.5-42.9176.7-65.9-58.2148.500111.6E644 L649 K650E644-E646 VanDerWaalsContact C-N 3.33Å; E644-E646 PolarHBondContact O-N 3.23Å; E646-L649 WeakPolarHBondContact O-CB 3.22Å; E646-L649 PolarHBondContact O-N 3.38Å; E646-K650 WeakPolarHBondContact O-CG 3.46Å; E646-K650 PolarHBondContact O-N 3.38Å
647V95.3Very high94.6Very high0 Ų042.8 Ų42.80%023%0.226CC..Hα-helixtrans-64.2-42.7175.4173.60000111A607 E612 V615 A639 E644 L649 K650 L651A607-V647 HydrophobicContact CB-CG1 3.99Å; E612-V647 HydrophobicContact CB-CG2 4.09Å; V615-V647 HydrophobicContact CG2-CG1 4.09Å; A639-V647 HydrophobicContact CB-CB 4.24Å; A639-V647 HydrophobicContact CB-CG1 3.77Å; E644-V647 HydrophobicContact CB-CB 4.07Å; E644-V647 HydrophobicContact CB-CG2 4.25Å; E644-V647 PolarHBondContact O-N 3.07Å; E644-V647 VanDerWaalsContact O-N 3.08Å; V647-L649 VanDerWaalsContact C-N 3.29Å; V647-L649 PolarHBondContact O-N 2.92Å; V647-K650 PolarHBondContact O-N 3.49Å; V647-L651 HydrophobicContact CG1-CD1 3.71Å; V647-L651 HydrophobicContact CG1-CG 4.07Å; V647-L651 WeakPolarHBondContact O-CB 3.5Å; V647-L651 VanDerWaalsContact O-CG 3.32Å; V647-L651 WeakPolarHBondContact O-CG 3.46Å; V647-L651 PolarHBondContact O-N 3.14Å
648V96.9Very high94.6Very high0 Ų043.2 Ų43.20%023%0.229CC..Hα-helixtrans-54.7-48.6174.4168.90000110L636 A639 E644 S645 K650 L651 L652 H684 L685L636-V648 HydrophobicContact CD1-CB 4.34Å; L636-V648 HydrophobicContact CD1-CG1 3.99Å; L636-V648 HydrophobicContact CD1-CG2 4.28Å; A639-V648 HydrophobicContact CB-CG2 3.7Å; E644-V648 WeakPolarHBondContact O-CG2 3.44Å; E644-V648 PolarHBondContact O-N 3.38Å; S645-V648 WeakPolarHBondContact O-CB 3.4Å; S645-V648 PolarHBondContact O-N 2.95Å; V648-K650 PolarHBondContact O-N 3.36Å; V648-L651 PolarHBondContact O-N 2.94Å; V648-L652 HydrophobicContact CG1-CD1 3.69Å; V648-L652 HydrophobicContact CG1-CG 4.39Å; V648-L652 WeakPolarHBondContact O-CB 3.4Å; V648-L652 VanDerWaalsContact O-CG 3.23Å; V648-L652 WeakPolarHBondContact O-CG 3.44Å; V648-L652 PolarHBondContact O-N 3.27Å; V648-H684 HydrophobicContact CG1-CB 4.12Å; V648-L685 HydrophobicContact CG1-CG 4.36Å
649L95.5Very high94.6Very high51 Ų5145.8 Ų45.827%0.26724%0.242SC..Hα-helixtrans-60.2-44.7178-179.462.8000112.2S645 E646 V647 L652 A653S645-L649 PolarHBondContact O-N 3.49Å; E646-L649 WeakPolarHBondContact O-CB 3.22Å; E646-L649 PolarHBondContact O-N 3.38Å; V647-L649 VanDerWaalsContact C-N 3.29Å; V647-L649 PolarHBondContact O-N 2.92Å; L649-L652 PolarHBondContact O-N 3.22Å; L649-A653 WeakPolarHBondContact O-CB 3.46Å; L649-A653 PolarHBondContact O-N 3.47Å
650K96.8Very high94.6Very high79 Ų7946.6 Ų46.634%0.34325%0.247SC..Hα-helixtrans-65.4-41.9177.7-62.1-51.7176.3-1720112.7E612 V616 E646 V647 V648 A653 A654E612-K650 HydrophobicContact CB-CG 4.42Å; V616-K650 HydrophobicContact CG2-CB 4.06Å; V616-K650 HydrophobicContact CG2-CD 4.05Å; V616-K650 HydrophobicContact CG2-CG 3.9Å; E646-K650 WeakPolarHBondContact O-CG 3.46Å; E646-K650 PolarHBondContact O-N 3.38Å; V647-K650 PolarHBondContact O-N 3.49Å; V648-K650 PolarHBondContact O-N 3.36Å; K650-A653 PolarHBondContact O-N 3.21Å; K650-A654 WeakPolarHBondContact O-CB 3.45Å; K650-A654 PolarHBondContact O-N 3.39Å
651L97Very high94.7Very high0 Ų051.4 Ų51.40%027%0.268CS..Hα-helixtrans-63.6-43.6177.6-73.1171.8000111.1M603 A607 V615 V625 P635 L636 A639 V647 V648 A654 K655 A656M603-L651 HydrophobicContact CG-CD2 4.42Å; M603-L651 HydrophobicContact SD-CD2 3.98Å; A607-L651 HydrophobicContact CB-CD1 4.25Å; V615-L651 HydrophobicContact CG1-CD2 3.47Å; V615-L651 VanDerWaalsContact CG1-CD2 3.47Å; V615-L651 HydrophobicContact CG1-CG 3.93Å; V625-L651 HydrophobicContact CG1-CD2 3.94Å; P635-L651 HydrophobicContact CB-CD1 4.08Å; P635-L651 HydrophobicContact CB-CD2 4.12Å; L636-L651 HydrophobicContact CB-CD1 4.31Å; L636-L651 HydrophobicContact CD1-CB 4.17Å; L636-L651 HydrophobicContact CD1-CD1 4.27Å; A639-L651 HydrophobicContact CB-CD1 4.09Å; V647-L651 HydrophobicContact CG1-CD1 3.71Å; V647-L651 HydrophobicContact CG1-CG 4.07Å; V647-L651 WeakPolarHBondContact O-CB 3.5Å; V647-L651 VanDerWaalsContact O-CG 3.32Å; V647-L651 WeakPolarHBondContact O-CG 3.46Å; V647-L651 PolarHBondContact O-N 3.14Å; V648-L651 PolarHBondContact O-N 2.94Å; L651-A654 CarbonylContact O-C 3.55Å; L651-A654 WeakPolarHBondContact O-CA 3.45Å; L651-A654 WeakPolarHBondContact O-CB 3.49Å; L651-A654 PolarHBondContact O-N 3.1Å; L651-A654 VanDerWaalsContact O-N 3.12Å; L651-K655 PolarHBondContact O-N 2.79Å; L651-A656 HydrophobicContact CB-CB 4.01Å; L651-A656 WeakPolarHBondContact O-CB 3.44Å; L651-A656 PolarHBondContact O-N 3.44Å
652L96.6Very high94.8Very high6 Ų648.1 Ų48.13%0.03125%0.253CS..Hα-helixtrans-65.8-41.2176.9-69169.7000112.1L636 V648 L649 A654 K655 P658 H684 L685 H688L636-L652 HydrophobicContact CD1-CD2 4.36Å; L636-L652 HydrophobicContact CD1-CG 4.23Å; L636-L652 HydrophobicContact CD2-CD2 3.82Å; V648-L652 HydrophobicContact CG1-CD1 3.69Å; V648-L652 HydrophobicContact CG1-CG 4.39Å; V648-L652 WeakPolarHBondContact O-CB 3.4Å; V648-L652 VanDerWaalsContact O-CG 3.23Å; V648-L652 WeakPolarHBondContact O-CG 3.44Å; V648-L652 PolarHBondContact O-N 3.27Å; L649-L652 PolarHBondContact O-N 3.22Å; L652-A654 PolarHBondContact O-N 3.18Å; L652-K655 WeakPolarHBondContact O-CA 3.47Å; L652-K655 PolarHBondContact O-N 3.37Å; L652-P658 HydrophobicContact CD2-CB 4.02Å; L652-H684 HydrophobicContact CD1-CB 3.97Å; L652-L685 HydrophobicContact CD1-CD2 4.14Å; L652-L685 HydrophobicContact CD1-CG 4.47Å; L652-L685 HydrophobicContact CD2-CD2 4.16Å; L652-H688 HydrophobicContact CB-CB 4.25Å; L652-H688 HydrophobicContact CD1-CB 4.19Å; L652-H688 HydrophobicContact CD2-CB 4Å; L652-H688 HydrophobicContact CG-CB 4.38Å
653A95.3Very high94.9Very high74 Ų7450.9 Ų50.961%0.61227%0.266SS*.Hα-helixtrans-59.9-31.6172.100000112.1L649 K650 K655L649-A653 WeakPolarHBondContact O-CB 3.46Å; L649-A653 PolarHBondContact O-N 3.47Å; K650-A653 PolarHBondContact O-N 3.21Å; A653-K655 PolarHBondContact O-N 3.31Å
654A93.9Very high94.8Very high22 Ų2251.9 Ų51.918%0.18227%0.273CS..THydrogen-bonded Turntrans-81.916.5172.700000114.5E619 V625 K650 L651 L652 A656E619-A654 HydrophobicContact CG-CB 3.64Å; V625-A654 HydrophobicContact CG1-CB 4.39Å; V625-A654 HydrophobicContact CG2-CB 3.96Å; K650-A654 WeakPolarHBondContact O-CB 3.45Å; K650-A654 PolarHBondContact O-N 3.39Å; L651-A654 CarbonylContact O-C 3.55Å; L651-A654 WeakPolarHBondContact O-CA 3.45Å; L651-A654 WeakPolarHBondContact O-CB 3.49Å; L651-A654 PolarHBondContact O-N 3.1Å; L651-A654 VanDerWaalsContact O-N 3.12Å; L652-A654 PolarHBondContact O-N 3.18Å; A654-A656 VanDerWaalsContact C-N 3.35Å; A654-A656 PolarHBondContact O-N 3.02Å
655K93.8Very high94.7Very high181 Ų18153 Ų5379%0.78728%0.281SS*.THydrogen-bonded Turntrans62.835.3179.4-50.6178.1-179.6178.40113.8N626 L651 L652 A653 D657N626-K655 PolarHBondContact ND2-O 3.36Å; L651-K655 PolarHBondContact O-N 2.79Å; L652-K655 WeakPolarHBondContact O-CA 3.47Å; L652-K655 PolarHBondContact O-N 3.37Å; A653-K655 PolarHBondContact O-N 3.31Å; K655-D657 PolarHBondContact O-N 3.37Å
656A96.4Very high94.8Very high6 Ų652.1 Ų52.15%0.0528%0.276CS..  trans-58.1134.8162.600000109.7V625 N626 L636 L651 A654 P658V625-A656 HydrophobicContact CG1-CB 3.52Å; N626-A656 WeakPolarHBondContact OD1-CA 3.49Å; L636-A656 HydrophobicContact CB-CB 4.37Å; L636-A656 HydrophobicContact CD2-CB 3.92Å; L651-A656 HydrophobicContact CB-CB 4.01Å; L651-A656 WeakPolarHBondContact O-CB 3.44Å; L651-A656 PolarHBondContact O-N 3.44Å; A654-A656 VanDerWaalsContact C-N 3.35Å; A654-A656 PolarHBondContact O-N 3.02Å; A656-P658 VanDerWaalsContact O-CD 3.31Å; A656-P658 WeakPolarHBondContact O-CD 3.44Å
657D96.3Very high94.8Very high71 Ų7149.9 Ų49.938%0.3826%0.264SS..  trans-79.6113.7175.6177.7-0.9000109.2N626 K655 N659 V660N626-D657 PolarHBondContact OD1-N 3.13Å; K655-D657 PolarHBondContact O-N 3.37Å; D657-N659 PolarHBondContact O-N 3.37Å; D657-N659 WeakPolarHBondContact OD1-CB 3.4Å; D657-N659 PolarHBondContact OD1-N 2.93Å; D657-V660 HydrophobicContact CB-CG2 3.71Å
658P96.4Very high94.9Very high10 Ų1050 Ų507%0.06526%0.264CS..THydrogen-bonded Turntrans-76-4.8-17834-37000113.7L636 L652 A656 P669 L685 H688 A690L636-P658 HydrophobicContact CD2-CB 4.31Å; L652-P658 HydrophobicContact CD2-CB 4.02Å; A656-P658 VanDerWaalsContact O-CD 3.31Å; A656-P658 WeakPolarHBondContact O-CD 3.44Å; P658-P669 WeakPolarHBondContact O-CD 3.36Å; P658-L685 HydrophobicContact CB-CD2 3.81Å; P658-H688 WeakPolarHBondContact CG-O 3.26Å; P658-A690 HydrophobicContact CB-CB 3.93Å; P658-A690 HydrophobicContact CG-CB 4.28Å
659N96.4Very high95Very high58 Ų5850 Ų5031%0.3126%0.264SS..THydrogen-bonded Turntrans-109.95-173.5-63-46.6000113.4D657 K661 Q689 A690 D691D657-N659 PolarHBondContact O-N 3.37Å; D657-N659 WeakPolarHBondContact OD1-CB 3.4Å; D657-N659 PolarHBondContact OD1-N 2.93Å; N659-K661 PolarHBondContact O-N 3.32Å; N659-Q689 PolarHBondContact ND2-O 2.86Å; N659-A690 WeakPolarHBondContact OD1-CA 3.26Å; N659-D691 PolarHBondContact OD1-N 3.35Å
660V96.1Very high95Very high17 Ų1747.5 Ų47.510%0.10325%0.251CS..PPolyproline II helixtrans-60130.4173.3-178.30000109T634 H637 D657 T668 P669T634-V660 HydrophobicContact CG2-CB 4.18Å; T634-V660 HydrophobicContact CG2-CG1 3.76Å; T634-V660 HydrophobicContact CG2-CG2 4.36Å; H637-V660 PolarHBondContact CE1-O 3.45Å; H637-V660 PolarHBondContact NE2-O 2.61Å; H637-V660 VanDerWaalsContact NE2-O 3.1Å; D657-V660 HydrophobicContact CB-CG2 3.71Å; V660-T668 WeakPolarHBondContact O-CA 3.29Å; V660-P669 VanDerWaalsContact O-CD 3.3Å; V660-P669 WeakPolarHBondContact O-CD 3.38Å
661K95.1Very high95Very high101 Ų10143.8 Ų43.844%0.43924%0.235SC..PPolyproline II helixtrans-94.8135.6172.7-62.6-173.5-176.9-167.70110.2N659 W667 T668 L695N659-K661 PolarHBondContact O-N 3.32Å; K661-W667 WeakPolarHBondContact CA-O 3.31Å; K661-T668 HydrophobicContact CG-CG2 3.86Å; K661-L695 PolarHBondContact NZ-O 3.25Å
662E94.3Very high94.8Very high12 Ų1244.3 Ų44.36%0.05624%0.238CC..PPolyproline II helixtrans-71.7162.3166.365.272.4-141.400111.5N631 W633 S664 D665 G666 W667N631-E662 WeakPolarHBondContact O-CB 3.43Å; W633-E662 VanDerWaalsContact CD1-CB 3.49Å; W633-E662 HydrophobicContact CG-CB 4.46Å; E662-S664 WeakPolarHBondContact OE2-CA 3.24Å; E662-S664 VanDerWaalsContact OE2-CB 3.29Å; E662-S664 WeakPolarHBondContact OE2-CB 3.4Å; E662-S664 PolarHBondContact OE2-N 3.4Å; E662-D665 WeakPolarHBondContact OE1-CA 3.48Å; E662-D665 WeakPolarHBondContact OE1-CB 3.28Å; E662-D665 PolarHBondContact OE1-N 2.96Å; E662-D665 PolarHBondContact OE2-N 3.45Å; E662-G666 VanDerWaalsContact O-CA 3.28Å; E662-G666 WeakPolarHBondContact O-CA 3.42Å; E662-G666 PolarHBondContact O-N 3.08Å; E662-G666 PolarHBondContact OE1-N 3.12Å; E662-W667 HydrophobicContact CG-CB 3.76Å; E662-W667 WeakPolarHBondContact CG-O 3.24Å; E662-W667 PolarHBondContact N-O 3.34Å; E662-W667 PolarHBondContact OE1-N 3.28Å
663E90.4Very high94.7Very high135 Ų13544 Ų4463%0.63124%0.236SC*.THydrogen-bonded Turntrans-85.1-23.4-164.2-72169.5-179.400114.5N631 G632N631-E663 PolarHBondContact O-N 3.45Å; G632-E663 PolarHBondContact N-OE2 3.22Å
664S89.9Confident94.5Very high69 Ų6940.5 Ų40.548%0.48321%0.207SC..THydrogen-bonded Turntrans-81.7-59.2-174.6-610000111.9E662E662-S664 WeakPolarHBondContact OE2-CA 3.24Å; E662-S664 VanDerWaalsContact OE2-CB 3.29Å; E662-S664 WeakPolarHBondContact OE2-CB 3.4Å; E662-S664 PolarHBondContact OE2-N 3.4Å
665D90.2Very high94.3Very high92 Ų9240.5 Ų40.549%0.49221%0.207SC..THydrogen-bonded Turntrans-116.15.1-173.4-69.8-48.8000112.4E662 W667 N696 S697E662-D665 WeakPolarHBondContact OE1-CA 3.48Å; E662-D665 WeakPolarHBondContact OE1-CB 3.28Å; E662-D665 PolarHBondContact OE1-N 2.96Å; E662-D665 PolarHBondContact OE2-N 3.45Å; D665-W667 VanDerWaalsContact C-N 3.29Å; D665-W667 HydrophobicContact CB-CG 4.4Å; D665-W667 VanDerWaalsContact CB-NE1 3.33Å; D665-W667 PolarHBondContact O-N 3.14Å; D665-N696 WeakPolarHBondContact O-CB 3.46Å; D665-S697 WeakPolarHBondContact CA-OG 3.47Å; D665-S697 VanDerWaalsContact O-CB 3.31Å; D665-S697 WeakPolarHBondContact O-CB 3.46Å; D665-S697 PolarHBondContact O-N 3.47Å; D665-S697 PolarHBondContact O-OG 3.33Å; D665-S697 VanDerWaalsContact O-OG 3.12Å
666G93.9Very high93.9Very high10 Ų1033.9 Ų33.910%0.10318%0.184CC..  trans67.423-17900000114.6E662E662-G666 VanDerWaalsContact O-CA 3.28Å; E662-G666 WeakPolarHBondContact O-CA 3.42Å; E662-G666 PolarHBondContact O-N 3.08Å; E662-G666 PolarHBondContact OE1-N 3.12Å
667W95.3Very high93.5Very high54 Ų5437.4 Ų37.421%0.20520%0.201CC..  trans-70.7137.9-178.1-7447.4000111.4H637 K661 E662 D665 H671 L672 A675 N696 L705H637-W667 PolarHBondContact NE2-O 3.02Å; K661-W667 WeakPolarHBondContact CA-O 3.31Å; E662-W667 HydrophobicContact CG-CB 3.76Å; E662-W667 WeakPolarHBondContact CG-O 3.24Å; E662-W667 PolarHBondContact N-O 3.34Å; E662-W667 PolarHBondContact OE1-N 3.28Å; D665-W667 VanDerWaalsContact C-N 3.29Å; D665-W667 HydrophobicContact CB-CG 4.4Å; D665-W667 VanDerWaalsContact CB-NE1 3.33Å; D665-W667 PolarHBondContact O-N 3.14Å; W667-H671 HydrophobicContact CB-CB 4.15Å; W667-H671 HydrophobicContact CD2-CB 3.94Å; W667-H671 HydrophobicContact CE3-CB 3.6Å; W667-H671 HydrophobicContact CG-CB 4.18Å; W667-H671 HydrophobicContact CZ3-CB 4.34Å; W667-L672 HydrophobicContact CD2-CD2 4.45Å; W667-L672 HydrophobicContact CE3-CD2 3.53Å; W667-L672 HydrophobicContact CE3-CG 3.94Å; W667-L672 HydrophobicContact CZ3-CD2 3.97Å; W667-A675 HydrophobicContact CH2-CB 4.06Å; W667-A675 HydrophobicContact CZ3-CB 3.66Å; W667-N696 PolarHBondContact NE1-ND2 3.22Å; W667-L705 HydrophobicContact CE3-CD1 4.31Å; W667-L705 HydrophobicContact CH2-CD1 3.88Å; W667-L705 HydrophobicContact CH2-CD2 4.34Å; W667-L705 HydrophobicContact CZ2-CD1 4.33Å; W667-L705 HydrophobicContact CZ3-CD1 3.87Å
668T97.3Very high93.1Very high1 Ų134.5 Ų34.51%0.00619%0.187CC..  trans-92.6163.8167.567.20000110.3V660 K661 L670 H671 L672 A694V660-T668 WeakPolarHBondContact O-CA 3.29Å; K661-T668 HydrophobicContact CG-CG2 3.86Å; T668-L670 PolarHBondContact O-N 3.36Å; T668-L670 VanDerWaalsContact O-N 3.1Å; T668-L670 PolarHBondContact OG1-N 3.43Å; T668-H671 PolarHBondContact N-ND1 2.92Å; T668-H671 WeakPolarHBondContact O-CB 3.38Å; T668-H671 PolarHBondContact O-N 3.49Å; T668-H671 PolarHBondContact OG1-N 3.35Å; T668-H671 PolarHBondContact OG1-ND1 3.11Å; T668-L672 PolarHBondContact O-N 2.81Å; T668-A694 HydrophobicContact CG2-CB 3.88Å
669P97.1Very high92.5Very high0 Ų037.5 Ų37.50%020%0.199CC..Hα-helixtrans-50.4-33.5170.2-29.735000113.9L636 H637 C640 P658 V660 L672 A673 L685L636-P669 HydrophobicContact CB-CG 4.38Å; L636-P669 HydrophobicContact CD2-CB 4.1Å; L636-P669 HydrophobicContact CD2-CG 3.86Å; L636-P669 HydrophobicContact CG-CB 3.92Å; L636-P669 HydrophobicContact CG-CG 3.9Å; H637-P669 WeakPolarHBondContact NE2-CD 3.48Å; C640-P669 HydrophobicContact CB-CB 4.47Å; P658-P669 WeakPolarHBondContact O-CD 3.36Å; V660-P669 VanDerWaalsContact O-CD 3.3Å; V660-P669 WeakPolarHBondContact O-CD 3.38Å; P669-L672 PolarHBondContact O-N 3.21Å; P669-A673 WeakPolarHBondContact O-CB 2.85Å; P669-A673 PolarHBondContact O-N 3.42Å; P669-L685 HydrophobicContact CB-CD1 4.28Å; P669-L685 HydrophobicContact CB-CD2 3.96Å
670L96.9Very high92.3Very high0 Ų037.6 Ų37.60%020%0.202CC..Hα-helixtrans-68.5-37.8176.9-172.959.8000112.8T668 L672 A673 C674 V682 L685 I686 A690 V692 P702 L718T668-L670 PolarHBondContact O-N 3.36Å; T668-L670 VanDerWaalsContact O-N 3.1Å; T668-L670 PolarHBondContact OG1-N 3.43Å; L670-L672 VanDerWaalsContact C-N 3.34Å; L670-L672 PolarHBondContact O-N 3.01Å; L670-A673 PolarHBondContact O-N 3.25Å; L670-C674 WeakPolarHBondContact O-CB 3.36Å; L670-C674 PolarHBondContact O-N 3.03Å; L670-C674 PolarHBondContact O-SG 3.18Å; L670-V682 HydrophobicContact CD1-CB 4.39Å; L670-V682 HydrophobicContact CD1-CG1 4.07Å; L670-V682 HydrophobicContact CD1-CG2 4.25Å; L670-L685 HydrophobicContact CB-CD1 4.18Å; L670-L685 HydrophobicContact CD1-CB 4.17Å; L670-L685 HydrophobicContact CD1-CD1 4.02Å; L670-I686 HydrophobicContact CD1-CG1 4.46Å; L670-A690 HydrophobicContact CB-CB 4.44Å; L670-A690 HydrophobicContact CD2-CB 4.05Å; L670-V692 HydrophobicContact CD2-CG1 4.32Å; L670-P702 HydrophobicContact CB-CG 4.31Å; L670-P702 HydrophobicContact CD2-CB 4.16Å; L670-P702 HydrophobicContact CD2-CG 3.84Å; L670-P702 HydrophobicContact CG-CB 3.92Å; L670-P702 HydrophobicContact CG-CG 3.83Å; L670-L718 HydrophobicContact CD2-CD2 4.29Å
671H95.6Very high91.9Very high0 Ų036.8 Ų36.80%020%0.197CC..Hα-helixtrans-59.8-46.3172.2-7090.4000111.1W667 T668 C674 A675 A694 A700 P702 L705W667-H671 HydrophobicContact CB-CB 4.15Å; W667-H671 HydrophobicContact CD2-CB 3.94Å; W667-H671 HydrophobicContact CE3-CB 3.6Å; W667-H671 HydrophobicContact CG-CB 4.18Å; W667-H671 HydrophobicContact CZ3-CB 4.34Å; T668-H671 PolarHBondContact N-ND1 2.92Å; T668-H671 WeakPolarHBondContact O-CB 3.38Å; T668-H671 PolarHBondContact O-N 3.49Å; T668-H671 PolarHBondContact OG1-N 3.35Å; T668-H671 PolarHBondContact OG1-ND1 3.11Å; H671-C674 PolarHBondContact O-N 3.19Å; H671-A675 WeakPolarHBondContact O-CB 3.35Å; H671-A675 PolarHBondContact O-N 2.96Å; H671-A694 PolarHBondContact CE1-O 3.43Å; H671-A694 PolarHBondContact NE2-O 3.47Å; H671-A694 VanDerWaalsContact NE2-O 3.13Å; H671-A700 PolarHBondContact NE2-O 3.2Å; H671-A700 VanDerWaalsContact NE2-O 3.12Å; H671-P702 WeakPolarHBondContact NE2-CD 3.3Å; H671-L705 HydrophobicContact CB-CD1 3.76Å
672L94.2Very high91.7Very high11 Ų1132 Ų326%0.05818%0.177CC..Hα-helixtrans-63.3-45178.2-67.7171000111.7W633 H637 C640 W667 T668 P669 L670 C674 A675 S676W633-L672 HydrophobicContact CH2-CD1 4.29Å; W633-L672 HydrophobicContact CH2-CD2 4.26Å; W633-L672 HydrophobicContact CZ2-CD1 4.47Å; W633-L672 HydrophobicContact CZ2-CD2 4.4Å; W633-L672 HydrophobicContact CZ3-CD1 4.42Å; H637-L672 HydrophobicContact CB-CD1 3.73Å; C640-L672 HydrophobicContact CB-CB 4.17Å; W667-L672 HydrophobicContact CD2-CD2 4.45Å; W667-L672 HydrophobicContact CE3-CD2 3.53Å; W667-L672 HydrophobicContact CE3-CG 3.94Å; W667-L672 HydrophobicContact CZ3-CD2 3.97Å; T668-L672 PolarHBondContact O-N 2.81Å; P669-L672 PolarHBondContact O-N 3.21Å; L670-L672 VanDerWaalsContact C-N 3.34Å; L670-L672 PolarHBondContact O-N 3.01Å; L672-C674 VanDerWaalsContact C-N 3.31Å; L672-C674 PolarHBondContact O-N 3.48Å; L672-A675 PolarHBondContact O-N 2.78Å; L672-S676 WeakPolarHBondContact O-CB 3.37Å; L672-S676 PolarHBondContact O-N 3.22Å; L672-S676 PolarHBondContact O-OG 2.95Å
673A93.4Very high91.6Very high0 Ų034.8 Ų34.80%019%0.192CC..Hα-helixtrans-61.7-37.8178.200000112.6C640 P669 L670 L677 C678 C681 V682 L685C640-A673 HydrophobicContact CB-CB 4.27Å; P669-A673 WeakPolarHBondContact O-CB 2.85Å; P669-A673 PolarHBondContact O-N 3.42Å; L670-A673 PolarHBondContact O-N 3.25Å; A673-L677 PolarHBondContact O-N 3Å; A673-C678 PolarHBondContact O-N 2.81Å; A673-C678 VanDerWaalsContact O-N 3.07Å; A673-C681 HydrophobicContact CB-CB 3.91Å; A673-V682 HydrophobicContact CB-CG2 3.83Å; A673-L685 HydrophobicContact CB-CD1 3.78Å
674C90.6Very high91.6Very high0 Ų030.5 Ų30.50%017%0.172CC..Hα-helixtrans-68.9-40.6174.4-70.30000112.4L670 H671 L672 L677 L705 A706 I714L670-C674 WeakPolarHBondContact O-CB 3.36Å; L670-C674 PolarHBondContact O-N 3.03Å; L670-C674 PolarHBondContact O-SG 3.18Å; H671-C674 PolarHBondContact O-N 3.19Å; L672-C674 VanDerWaalsContact C-N 3.31Å; L672-C674 PolarHBondContact O-N 3.48Å; C674-L677 PolarHBondContact O-N 3.43Å; C674-L705 HydrophobicContact CB-CB 4.37Å; C674-A706 HydrophobicContact CB-CB 4.48Å; C674-I714 HydrophobicContact CB-CG2 4.5Å
675A90.9Very high91.8Very high23 Ų2327.2 Ų27.219%0.1915%0.149CC..Hα-helixtrans-68.4-38.4177.300000112.7W667 H671 L672 L677W667-A675 HydrophobicContact CH2-CB 4.06Å; W667-A675 HydrophobicContact CZ3-CB 3.66Å; H671-A675 WeakPolarHBondContact O-CB 3.35Å; H671-A675 PolarHBondContact O-N 2.96Å; L672-A675 PolarHBondContact O-N 2.78Å; A675-L677 PolarHBondContact O-N 2.73Å
676S84.2Confident91.9Very high41 Ų4123.9 Ų23.929%0.28713%0.13SC..THydrogen-bonded Turntrans-77.9-0.5175.5-60.30000113.8H641 L672 C678H641-S676 PolarHBondContact O-OG 2.65Å; L672-S676 WeakPolarHBondContact O-CB 3.37Å; L672-S676 PolarHBondContact O-N 3.22Å; L672-S676 PolarHBondContact O-OG 2.95Å; S676-C678 PolarHBondContact O-N 2.84Å
677L89.4Confident91.9Very high80 Ų8027.2 Ų27.242%0.41915%0.153SC..THydrogen-bonded Turntrans5925.4-179.5-53.6178.2000114.8A673 C674 A675 F679 H709 C711A673-L677 PolarHBondContact O-N 3Å; C674-L677 PolarHBondContact O-N 3.43Å; A675-L677 PolarHBondContact O-N 2.73Å; L677-F679 PolarHBondContact O-N 3.27Å; L677-H709 HydrophobicContact CD2-CB 3.43Å; L677-H709 VanDerWaalsContact CD2-CB 3.43Å; L677-H709 HydrophobicContact CG-CB 4.29Å; L677-C711 HydrophobicContact CD2-CB 3.66Å
678C86.8Confident91.9Very high11 Ų1128 Ų287%0.07416%0.158CC..  trans-84.488.5179.4-178.10000111.4A673 S676 C681 V682A673-C678 PolarHBondContact O-N 2.81Å; A673-C678 VanDerWaalsContact O-N 3.07Å; S676-C678 PolarHBondContact O-N 2.84Å; C678-C681 HydrophobicContact CB-CB 3.68Å; C678-C681 WeakPolarHBondContact CB-SG 3.1Å; C678-C681 WeakPolarHBondContact O-CB 3.37Å; C678-C681 PolarHBondContact O-N 2.9Å; C678-C681 WeakPolarHBondContact SG-CB 3.22Å; C678-C681 PolarHBondContact SG-N 3.03Å; C678-C681 CovalentContact SG-SG 2.06Å; C678-C681 PolarHBondContact SG-SG 3.35Å; C678-V682 WeakPolarHBondContact O-CG2 3.37Å; C678-V682 PolarHBondContact O-N 3.36Å
679F85.3Confident91.7Very high72 Ų7236 Ų3632%0.31620%0.196SC..Hα-helixtrans-57-43.6178.2-179-114.1000114.1L677 C681 V682 L683 P713 I714L677-F679 PolarHBondContact O-N 3.27Å; F679-C681 VanDerWaalsContact C-N 3.35Å; F679-C681 PolarHBondContact O-N 3.46Å; F679-V682 WeakPolarHBondContact O-CB 3.09Å; F679-V682 PolarHBondContact O-N 3.23Å; F679-L683 HydrophobicContact CD1-CD1 4.08Å; F679-L683 HydrophobicContact CD1-CG 4.48Å; F679-L683 HydrophobicContact CD2-CG 4.43Å; F679-L683 HydrophobicContact CE1-CD1 3.49Å; F679-L683 VanDerWaalsContact CE1-CD1 3.49Å; F679-L683 HydrophobicContact CE1-CG 4.08Å; F679-L683 HydrophobicContact CE2-CD1 4.31Å; F679-L683 HydrophobicContact CE2-CD2 3.98Å; F679-L683 HydrophobicContact CE2-CG 4.03Å; F679-L683 HydrophobicContact CZ-CD1 3.63Å; F679-L683 HydrophobicContact CZ-CD2 3.87Å; F679-L683 HydrophobicContact CZ-CG 3.85Å; F679-L683 PolarHBondContact O-N 2.9Å; F679-P713 HydrophobicContact CD2-CB 3.99Å; F679-P713 HydrophobicContact CE2-CB 4.01Å; F679-P713 VanDerWaalsContact CE2-O 3.31Å; F679-P713 WeakPolarHBondContact CE2-O 3.42Å; F679-P713 HydrophobicContact CG-CB 4.31Å; F679-P713 HydrophobicContact CZ-CB 4.35Å; F679-I714 HydrophobicContact CB-CD1 4.46Å; F679-I714 HydrophobicContact CB-CG1 3.99Å; F679-I714 HydrophobicContact CD2-CG1 3.78Å; F679-I714 HydrophobicContact CG-CG1 4.38Å
680P90.3Very high91.6Very high60 Ų6036.4 Ų36.439%0.3920%0.199SC..Hα-helixtrans-60-41.7175.3-25.235.9000113.2V682 L683 H684P680-V682 VanDerWaalsContact C-N 3.34Å; P680-V682 PolarHBondContact O-N 2.78Å; P680-L683 PolarHBondContact O-N 3.48Å; P680-H684 PolarHBondContact O-CD2 3.34Å; P680-H684 PolarHBondContact O-N 3.33Å
681C89.4Confident91.5Very high0 Ų040 Ų400%022%0.218CC..Hα-helixtrans-60.9-44176.9-51.80000111.3A673 C678 F679 H684 L685A673-C681 HydrophobicContact CB-CB 3.91Å; C678-C681 HydrophobicContact CB-CB 3.68Å; C678-C681 WeakPolarHBondContact CB-SG 3.1Å; C678-C681 WeakPolarHBondContact O-CB 3.37Å; C678-C681 PolarHBondContact O-N 2.9Å; C678-C681 WeakPolarHBondContact SG-CB 3.22Å; C678-C681 PolarHBondContact SG-N 3.03Å; C678-C681 CovalentContact SG-SG 2.06Å; C678-C681 PolarHBondContact SG-SG 3.35Å; F679-C681 VanDerWaalsContact C-N 3.35Å; F679-C681 PolarHBondContact O-N 3.46Å; C681-H684 PolarHBondContact O-N 3.01Å; C681-L685 WeakPolarHBondContact O-CB 3.31Å; C681-L685 VanDerWaalsContact O-CG 3.23Å; C681-L685 WeakPolarHBondContact O-CG 3.5Å; C681-L685 PolarHBondContact O-N 3.06Å
682V91Very high91.5Very high0 Ų040.6 Ų40.60%022%0.222CC..Hα-helixtrans-58.8-47.5176.11700000110.8L670 A673 C678 F679 P680 H684 L685 I686 I714 L718L670-V682 HydrophobicContact CD1-CB 4.39Å; L670-V682 HydrophobicContact CD1-CG1 4.07Å; L670-V682 HydrophobicContact CD1-CG2 4.25Å; A673-V682 HydrophobicContact CB-CG2 3.83Å; C678-V682 WeakPolarHBondContact O-CG2 3.37Å; C678-V682 PolarHBondContact O-N 3.36Å; F679-V682 WeakPolarHBondContact O-CB 3.09Å; F679-V682 PolarHBondContact O-N 3.23Å; P680-V682 VanDerWaalsContact C-N 3.34Å; P680-V682 PolarHBondContact O-N 2.78Å; V682-H684 PolarHBondContact O-N 3.2Å; V682-L685 PolarHBondContact O-N 3.23Å; V682-I686 HydrophobicContact CG1-CD1 3.64Å; V682-I686 HydrophobicContact CG1-CG1 4.4Å; V682-I686 WeakPolarHBondContact O-CB 3.2Å; V682-I686 VanDerWaalsContact O-CG1 3.26Å; V682-I686 WeakPolarHBondContact O-CG1 3.36Å; V682-I686 PolarHBondContact O-N 3.21Å; V682-I714 HydrophobicContact CG1-CG2 4.37Å; V682-I714 HydrophobicContact CG2-CD1 4.3Å; V682-I714 HydrophobicContact CG2-CG1 4.33Å; V682-I714 HydrophobicContact CG2-CG2 4.17Å; V682-L718 HydrophobicContact CG1-CD2 4.48Å
683L90.9Very high91.6Very high72 Ų7242.2 Ų42.238%0.37723%0.23SC..Hα-helixtrans-62-44.8178.1-69.9-177000112.3F679 P680 L685 I686 S687F679-L683 HydrophobicContact CD1-CD1 4.08Å; F679-L683 HydrophobicContact CD1-CG 4.48Å; F679-L683 HydrophobicContact CD2-CG 4.43Å; F679-L683 HydrophobicContact CE1-CD1 3.49Å; F679-L683 VanDerWaalsContact CE1-CD1 3.49Å; F679-L683 HydrophobicContact CE1-CG 4.08Å; F679-L683 HydrophobicContact CE2-CD1 4.31Å; F679-L683 HydrophobicContact CE2-CD2 3.98Å; F679-L683 HydrophobicContact CE2-CG 4.03Å; F679-L683 HydrophobicContact CZ-CD1 3.63Å; F679-L683 HydrophobicContact CZ-CD2 3.87Å; F679-L683 HydrophobicContact CZ-CG 3.85Å; F679-L683 PolarHBondContact O-N 2.9Å; P680-L683 PolarHBondContact O-N 3.48Å; L683-L685 PolarHBondContact O-N 3.17Å; L683-I686 PolarHBondContact O-N 3.24Å; L683-S687 WeakPolarHBondContact O-CB 3.31Å; L683-S687 PolarHBondContact O-N 2.72Å; L683-S687 PolarHBondContact O-OG 3.01Å
684H90.8Very high91.7Very high45 Ų4542.4 Ų42.421%0.20823%0.232CC..Hα-helixtrans-61.3-45177.9-68-42.2000111.7V648 L652 P680 C681 V682 S687 H688V648-H684 HydrophobicContact CG1-CB 4.12Å; L652-H684 HydrophobicContact CD1-CB 3.97Å; P680-H684 PolarHBondContact O-CD2 3.34Å; P680-H684 PolarHBondContact O-N 3.33Å; C681-H684 PolarHBondContact O-N 3.01Å; V682-H684 PolarHBondContact O-N 3.2Å; H684-S687 WeakPolarHBondContact CA-OG 3.13Å; H684-S687 PolarHBondContact O-N 2.77Å; H684-S687 PolarHBondContact O-OG 3.18Å; H684-H688 PolarHBondContact O-N 3.13Å; H684-H688 PolarHBondContact O-ND1 2.95Å
685L94.5Very high91.9Very high0 Ų045.6 Ų45.60%025%0.249CC..Hα-helixtrans-61-49.2176.9-72.9168.3000112.1L636 V648 L652 P658 P669 L670 A673 C681 V682 L683 S687 H688 Q689 A690L636-L685 HydrophobicContact CD1-CD2 4.37Å; L636-L685 HydrophobicContact CD2-CD2 4.03Å; L636-L685 HydrophobicContact CG-CD2 4.41Å; V648-L685 HydrophobicContact CG1-CG 4.36Å; L652-L685 HydrophobicContact CD1-CD2 4.14Å; L652-L685 HydrophobicContact CD1-CG 4.47Å; L652-L685 HydrophobicContact CD2-CD2 4.16Å; P658-L685 HydrophobicContact CB-CD2 3.81Å; P669-L685 HydrophobicContact CB-CD1 4.28Å; P669-L685 HydrophobicContact CB-CD2 3.96Å; L670-L685 HydrophobicContact CB-CD1 4.18Å; L670-L685 HydrophobicContact CD1-CB 4.17Å; L670-L685 HydrophobicContact CD1-CD1 4.02Å; A673-L685 HydrophobicContact CB-CD1 3.78Å; C681-L685 WeakPolarHBondContact O-CB 3.31Å; C681-L685 VanDerWaalsContact O-CG 3.23Å; C681-L685 WeakPolarHBondContact O-CG 3.5Å; C681-L685 PolarHBondContact O-N 3.06Å; V682-L685 PolarHBondContact O-N 3.23Å; L683-L685 PolarHBondContact O-N 3.17Å; L685-S687 VanDerWaalsContact C-N 3.34Å; L685-S687 PolarHBondContact O-N 2.87Å; L685-H688 CarbonylContact O-C 3.39Å; L685-H688 PolarHBondContact O-N 3.37Å; L685-H688 VanDerWaalsContact O-N 3.07Å; L685-Q689 PolarHBondContact O-N 2.9Å; L685-A690 VanDerWaalsContact C-CB 3.47Å; L685-A690 HydrophobicContact CB-CB 3.83Å; L685-A690 WeakPolarHBondContact O-CB 3.42Å; L685-A690 PolarHBondContact O-N 2.9Å
686I92.8Very high92.1Very high21 Ų2145.5 Ų45.511%0.10825%0.245CC..Hα-helixtrans-60.4-45178.5-68.6171.1000110.8L670 V682 L683 H688 Q689 V692 L718 N721L670-I686 HydrophobicContact CD1-CG1 4.46Å; V682-I686 HydrophobicContact CG1-CD1 3.64Å; V682-I686 HydrophobicContact CG1-CG1 4.4Å; V682-I686 WeakPolarHBondContact O-CB 3.2Å; V682-I686 VanDerWaalsContact O-CG1 3.26Å; V682-I686 WeakPolarHBondContact O-CG1 3.36Å; V682-I686 PolarHBondContact O-N 3.21Å; L683-I686 PolarHBondContact O-N 3.24Å; I686-H688 PolarHBondContact O-N 2.77Å; I686-H688 VanDerWaalsContact O-N 3.1Å; I686-Q689 PolarHBondContact O-N 3.01Å; I686-Q689 VanDerWaalsContact O-N 3.08Å; I686-V692 HydrophobicContact CD1-CG1 4.26Å; I686-V692 HydrophobicContact CG1-CG1 3.97Å; I686-L718 HydrophobicContact CD1-CD2 4.04Å; I686-N721 HydrophobicContact CD1-CB 4.48Å; I686-N721 HydrophobicContact CG2-CB 3.68Å; I686-N721 WeakPolarHBondContact CG2-OD1 3.36Å
687S93.9Very high92.5Very high81 Ų8147.5 Ų47.557%0.56626%0.259SS*.Hα-helixtrans-61.3-20.5177.870.30000113.6L683 H684 L685L683-S687 WeakPolarHBondContact O-CB 3.31Å; L683-S687 PolarHBondContact O-N 2.72Å; L683-S687 PolarHBondContact O-OG 3.01Å; H684-S687 WeakPolarHBondContact CA-OG 3.13Å; H684-S687 PolarHBondContact O-N 2.77Å; H684-S687 PolarHBondContact O-OG 3.18Å; L685-S687 VanDerWaalsContact C-N 3.34Å; L685-S687 PolarHBondContact O-N 2.87Å
688H94.8Very high92.6Very high69 Ų6944.9 Ų44.932%0.31925%0.251SS..THydrogen-bonded Turntrans-107.829.6177.9-70.872.7000112.8L652 P658 H684 L685 I686L652-H688 HydrophobicContact CB-CB 4.25Å; L652-H688 HydrophobicContact CD1-CB 4.19Å; L652-H688 HydrophobicContact CD2-CB 4Å; L652-H688 HydrophobicContact CG-CB 4.38Å; P658-H688 WeakPolarHBondContact CG-O 3.26Å; H684-H688 PolarHBondContact O-N 3.13Å; H684-H688 PolarHBondContact O-ND1 2.95Å; L685-H688 CarbonylContact O-C 3.39Å; L685-H688 PolarHBondContact O-N 3.37Å; L685-H688 VanDerWaalsContact O-N 3.07Å; I686-H688 PolarHBondContact O-N 2.77Å; I686-H688 VanDerWaalsContact O-N 3.1Å
689Q92.8Very high92.9Very high170 Ų17050.3 Ų50.379%0.79427%0.274SS*.THydrogen-bonded Turntrans68.433.9172-50.5171.117.900114.4N659 L685 I686N659-Q689 PolarHBondContact ND2-O 2.86Å; L685-Q689 PolarHBondContact O-N 2.9Å; I686-Q689 PolarHBondContact O-N 3.01Å; I686-Q689 VanDerWaalsContact O-N 3.08Å
690A95.8Very high93.4Very high9 Ų947.5 Ų47.57%0.07426%0.264CS..  trans-64.4133.9164.200000110.8P658 N659 L670 L685 V692P658-A690 HydrophobicContact CB-CB 3.93Å; P658-A690 HydrophobicContact CG-CB 4.28Å; N659-A690 WeakPolarHBondContact OD1-CA 3.26Å; L670-A690 HydrophobicContact CB-CB 4.44Å; L670-A690 HydrophobicContact CD2-CB 4.05Å; L685-A690 VanDerWaalsContact C-CB 3.47Å; L685-A690 HydrophobicContact CB-CB 3.83Å; L685-A690 WeakPolarHBondContact O-CB 3.42Å; L685-A690 PolarHBondContact O-N 2.9Å; A690-V692 PolarHBondContact O-N 2.87Å; A690-V692 VanDerWaalsContact O-N 3.13Å
691D95.1Very high93.6Very high76 Ų7644.6 Ų44.641%0.40625%0.245SC..  trans-72104.2175.2177.810.7000109.9N659 N693 A694N659-D691 PolarHBondContact OD1-N 3.35Å; D691-N693 PolarHBondContact O-N 3.4Å; D691-N693 WeakPolarHBondContact OD1-CA 3.5Å; D691-N693 PolarHBondContact OD1-N 3.33Å; D691-A694 HydrophobicContact CB-CB 4.13Å; D691-A694 WeakPolarHBondContact O-CB 3.39Å; D691-A694 PolarHBondContact O-N 3.03Å; D691-A694 PolarHBondContact OD1-N 3.13Å; D691-A694 WeakPolarHBondContact OD2-CA 3.31Å; D691-A694 PolarHBondContact OD2-N 3.32Å
692V95.4Very high93.9Very high12 Ų1244.6 Ų44.67%0.07325%0.245CC..THydrogen-bonded Turntrans-63.7-17.2178.1-63.60000113.4L670 I686 A690 P702 L718 N721 A723L670-V692 HydrophobicContact CD2-CG1 4.32Å; I686-V692 HydrophobicContact CD1-CG1 4.26Å; I686-V692 HydrophobicContact CG1-CG1 3.97Å; A690-V692 PolarHBondContact O-N 2.87Å; A690-V692 VanDerWaalsContact O-N 3.13Å; V692-P702 WeakPolarHBondContact O-CD 3.35Å; V692-L718 HydrophobicContact CB-CD2 4.34Å; V692-L718 HydrophobicContact CG1-CD2 4.19Å; V692-N721 HydrophobicContact CG1-CB 4.3Å; V692-A723 HydrophobicContact CB-CB 4.41Å; V692-A723 HydrophobicContact CG2-CB 4.45Å
693N95.8Very high94.1Very high44 Ų4444.6 Ų44.624%0.23525%0.245CC..THydrogen-bonded Turntrans-110.212.9-179.4-66-45.7000112.7D691 L695 G722 A723 D724 L727D691-N693 PolarHBondContact O-N 3.4Å; D691-N693 WeakPolarHBondContact OD1-CA 3.5Å; D691-N693 PolarHBondContact OD1-N 3.33Å; N693-L695 PolarHBondContact O-N 3.02Å; N693-G722 PolarHBondContact ND2-O 3.35Å; N693-A723 WeakPolarHBondContact OD1-CA 3.32Å; N693-D724 PolarHBondContact OD1-N 2.88Å; N693-L727 HydrophobicContact CB-CD1 4.12Å
694A95.6Very high94.3Very high4 Ų441.4 Ų41.43%0.03323%0.228CC..  trans-54.7135.3177.300000110.6T668 H671 D691 T701 P702T668-A694 HydrophobicContact CG2-CB 3.88Å; H671-A694 PolarHBondContact CE1-O 3.43Å; H671-A694 PolarHBondContact NE2-O 3.47Å; H671-A694 VanDerWaalsContact NE2-O 3.13Å; D691-A694 HydrophobicContact CB-CB 4.13Å; D691-A694 WeakPolarHBondContact O-CB 3.39Å; D691-A694 PolarHBondContact O-N 3.03Å; D691-A694 PolarHBondContact OD1-N 3.13Å; D691-A694 WeakPolarHBondContact OD2-CA 3.31Å; D691-A694 PolarHBondContact OD2-N 3.32Å; A694-T701 WeakPolarHBondContact O-CA 3.47Å; A694-P702 WeakPolarHBondContact O-CD 3.47Å
695L95.4Very high94.3Very high67 Ų6739.8 Ų39.835%0.35122%0.221SC..  trans-102129.9179.1-58.2175.8000110.9K661 N693 K699 T701 L727K661-L695 PolarHBondContact NZ-O 3.25Å; N693-L695 PolarHBondContact O-N 3.02Å; L695-K699 WeakPolarHBondContact CD2-O 3.39Å; L695-T701 HydrophobicContact CD2-CG2 3.52Å; L695-L727 HydrophobicContact CD2-CD1 4.49Å
696N93.9Very high94.2Very high21 Ų2139.8 Ų39.811%0.11222%0.221CC..  trans-81.5-178.6167.481.2-1.6000111.6D665 W667 G698 K699 A700D665-N696 WeakPolarHBondContact O-CB 3.46Å; W667-N696 PolarHBondContact NE1-ND2 3.22Å; N696-G698 PolarHBondContact O-N 3.07Å; N696-G698 WeakPolarHBondContact OD1-CA 3.42Å; N696-G698 PolarHBondContact OD1-N 3.43Å; N696-K699 WeakPolarHBondContact O-CA 3.3Å; N696-K699 PolarHBondContact O-N 3.48Å; N696-K699 PolarHBondContact OD1-N 3.14Å; N696-A700 PolarHBondContact N-O 2.91Å; N696-A700 WeakPolarHBondContact OD1-CB 3.41Å; N696-A700 PolarHBondContact OD1-N 2.87Å; N696-A700 PolarHBondContact OD1-O 2.8Å
697S93.1Very high94.1Very high83 Ų8338.8 Ų38.858%0.5822%0.216SC*.THydrogen-bonded Turntrans-58.3-32.2179.8-69.10000113.1D665 K699D665-S697 WeakPolarHBondContact CA-OG 3.47Å; D665-S697 VanDerWaalsContact O-CB 3.31Å; D665-S697 WeakPolarHBondContact O-CB 3.46Å; D665-S697 PolarHBondContact O-N 3.47Å; D665-S697 PolarHBondContact O-OG 3.33Å; D665-S697 VanDerWaalsContact O-OG 3.12Å; S697-K699 PolarHBondContact O-N 3.02Å
698G92.2Very high93.9Very high25 Ų2539 Ų3926%0.25821%0.208SC..THydrogen-bonded Turntrans-82.311.7172.900000114.1N696 A700 S730N696-G698 PolarHBondContact O-N 3.07Å; N696-G698 WeakPolarHBondContact OD1-CA 3.42Å; N696-G698 PolarHBondContact OD1-N 3.43Å; G698-A700 PolarHBondContact O-N 2.87Å; G698-S730 VanDerWaalsContact O-CB 3.28Å; G698-S730 WeakPolarHBondContact O-CB 3.32Å; G698-S730 PolarHBondContact O-N 2.91Å; G698-S730 PolarHBondContact O-OG 3.16Å
699K93.3Very high93.4Very high125 Ų12539.6 Ų39.654%0.54321%0.211SC..  trans54.116.8-171.6-57.4-177.5178-179.80114.1L695 N696 S697L695-K699 WeakPolarHBondContact CD2-O 3.39Å; N696-K699 WeakPolarHBondContact O-CA 3.3Å; N696-K699 PolarHBondContact O-N 3.48Å; N696-K699 PolarHBondContact OD1-N 3.14Å; S697-K699 PolarHBondContact O-N 3.02Å
700A93.8Very high92.8Very high13 Ų1332.7 Ų32.711%0.10719%0.185CC..  trans-77.6141.2174.900000109.1H671 N696 G698 H704 D729H671-A700 PolarHBondContact NE2-O 3.2Å; H671-A700 VanDerWaalsContact NE2-O 3.12Å; N696-A700 PolarHBondContact N-O 2.91Å; N696-A700 WeakPolarHBondContact OD1-CB 3.41Å; N696-A700 PolarHBondContact OD1-N 2.87Å; N696-A700 PolarHBondContact OD1-O 2.8Å; G698-A700 PolarHBondContact O-N 2.87Å; A700-H704 HydrophobicContact CB-CB 4.18Å; A700-D729 HydrophobicContact CB-CB 4.39Å
701T96Very high92Very high0 Ų033.5 Ų33.50%019%0.19CC..  trans-95.8165.8172.767.80000110.6A694 L695 L703 H704 L705 L727A694-T701 WeakPolarHBondContact O-CA 3.47Å; L695-T701 HydrophobicContact CD2-CG2 3.52Å; T701-L703 PolarHBondContact O-N 2.67Å; T701-L703 VanDerWaalsContact O-N 3.13Å; T701-L703 PolarHBondContact OG1-N 3.45Å; T701-H704 PolarHBondContact N-ND1 2.64Å; T701-H704 WeakPolarHBondContact O-CB 3.28Å; T701-H704 PolarHBondContact O-N 3.46Å; T701-H704 PolarHBondContact OG1-N 3.47Å; T701-H704 PolarHBondContact OG1-ND1 2.97Å; T701-L705 PolarHBondContact O-N 3.21Å; T701-L727 HydrophobicContact CG2-CB 4.12Å; T701-L727 HydrophobicContact CG2-CD1 3.6Å
702P95.5Very high91.5Very high0 Ų030.8 Ų30.80%018%0.176CC..Hα-helixtrans-53.4-32.1170.3-27.435.3000113.4L670 H671 V692 A694 L705 A706 L718L670-P702 HydrophobicContact CB-CG 4.31Å; L670-P702 HydrophobicContact CD2-CB 4.16Å; L670-P702 HydrophobicContact CD2-CG 3.84Å; L670-P702 HydrophobicContact CG-CB 3.92Å; L670-P702 HydrophobicContact CG-CG 3.83Å; H671-P702 WeakPolarHBondContact NE2-CD 3.3Å; V692-P702 WeakPolarHBondContact O-CD 3.35Å; A694-P702 WeakPolarHBondContact O-CD 3.47Å; P702-L705 PolarHBondContact O-N 3.16Å; P702-A706 WeakPolarHBondContact O-CB 3.44Å; P702-A706 PolarHBondContact O-N 2.79Å; P702-L718 HydrophobicContact CB-CD1 4.3Å; P702-L718 HydrophobicContact CB-CD2 4.28Å
703L94.7Very high91.1Very high0 Ų033.4 Ų33.40%019%0.193CC..Hα-helixtrans-64.5-41.5175.7-174.864.4000112.3T701 L705 A706 C707 V715 L718 L719 A723 K725 A735T701-L703 PolarHBondContact O-N 2.67Å; T701-L703 VanDerWaalsContact O-N 3.13Å; T701-L703 PolarHBondContact OG1-N 3.45Å; L703-L705 VanDerWaalsContact C-N 3.32Å; L703-L705 PolarHBondContact O-N 3.28Å; L703-A706 PolarHBondContact O-N 3.4Å; L703-C707 WeakPolarHBondContact O-CB 3.46Å; L703-C707 PolarHBondContact O-N 2.97Å; L703-C707 PolarHBondContact O-SG 2.97Å; L703-V715 HydrophobicContact CD1-CG1 3.89Å; L703-L718 HydrophobicContact CB-CD1 4.38Å; L703-L718 HydrophobicContact CD1-CB 4.26Å; L703-L718 HydrophobicContact CD1-CD1 4.3Å; L703-L719 HydrophobicContact CD1-CD2 4.29Å; L703-L719 HydrophobicContact CD1-CG 4.32Å; L703-L719 HydrophobicContact CD2-CD2 3.98Å; L703-A723 HydrophobicContact CB-CB 4.34Å; L703-A723 HydrophobicContact CD2-CB 4.12Å; L703-K725 HydrophobicContact CD2-CB 4.39Å; L703-A735 HydrophobicContact CD2-CB 3.85Å; L703-A735 HydrophobicContact CG-CB 3.77Å
704H94.3Very high90.6Very high4 Ų431.3 Ų31.32%0.01918%0.182CC..Hα-helixtrans-59-45.1175.6-69.784.6000111.1A700 T701 C707 Q708 L727 S733 A735A700-H704 HydrophobicContact CB-CB 4.18Å; T701-H704 PolarHBondContact N-ND1 2.64Å; T701-H704 WeakPolarHBondContact O-CB 3.28Å; T701-H704 PolarHBondContact O-N 3.46Å; T701-H704 PolarHBondContact OG1-N 3.47Å; T701-H704 PolarHBondContact OG1-ND1 2.97Å; H704-C707 PolarHBondContact O-N 3.41Å; H704-Q708 WeakPolarHBondContact O-CB 3.44Å; H704-Q708 PolarHBondContact O-N 3.01Å; H704-L727 PolarHBondContact CE1-O 2.97Å; H704-L727 PolarHBondContact NE2-O 3.5Å; H704-S733 PolarHBondContact NE2-O 3.22Å; H704-S733 VanDerWaalsContact NE2-O 3.14Å; H704-A735 PolarHBondContact NE2-N 2.99Å
705L92.4Very high90.2Very high11 Ų1131.1 Ų31.16%0.05818%0.18CC..Hα-helixtrans-65.9-44.7178.5-61.1-179.2000111.9W667 H671 C674 T701 P702 L703 C707 Q708 H709W667-L705 HydrophobicContact CE3-CD1 4.31Å; W667-L705 HydrophobicContact CH2-CD1 3.88Å; W667-L705 HydrophobicContact CH2-CD2 4.34Å; W667-L705 HydrophobicContact CZ2-CD1 4.33Å; W667-L705 HydrophobicContact CZ3-CD1 3.87Å; H671-L705 HydrophobicContact CB-CD1 3.76Å; C674-L705 HydrophobicContact CB-CB 4.37Å; T701-L705 PolarHBondContact O-N 3.21Å; P702-L705 PolarHBondContact O-N 3.16Å; L703-L705 VanDerWaalsContact C-N 3.32Å; L703-L705 PolarHBondContact O-N 3.28Å; L705-C707 VanDerWaalsContact C-N 3.28Å; L705-C707 PolarHBondContact O-N 3.14Å; L705-Q708 WeakPolarHBondContact O-CB 3.3Å; L705-Q708 PolarHBondContact O-N 3.2Å; L705-H709 PolarHBondContact O-CD2 2.93Å; L705-H709 VanDerWaalsContact O-CD2 3.25Å; L705-H709 PolarHBondContact O-N 2.95Å
706A91.4Very high89.7Confident0 Ų032.1 Ų32.10%018%0.182CC..Hα-helixtrans-59.7-39.517700000112.3C674 P702 L703 G710 C711 I714 V715 L718C674-A706 HydrophobicContact CB-CB 4.48Å; P702-A706 WeakPolarHBondContact O-CB 3.44Å; P702-A706 PolarHBondContact O-N 2.79Å; L703-A706 PolarHBondContact O-N 3.4Å; A706-G710 PolarHBondContact O-N 2.97Å; A706-C711 PolarHBondContact O-N 2.97Å; A706-I714 HydrophobicContact CB-CB 4.46Å; A706-I714 HydrophobicContact CB-CG2 3.64Å; A706-V715 HydrophobicContact CB-CG2 3.76Å; A706-L718 HydrophobicContact CB-CD1 3.87Å
707C91Very high89.3Confident0 Ų031.4 Ų31.40%018%0.18CC..Hα-helixtrans-68.8-38.6175.2-70.20000112.9L703 H704 L705 A739 I747L703-C707 WeakPolarHBondContact O-CB 3.46Å; L703-C707 PolarHBondContact O-N 2.97Å; L703-C707 PolarHBondContact O-SG 2.97Å; H704-C707 PolarHBondContact O-N 3.41Å; L705-C707 VanDerWaalsContact C-N 3.28Å; L705-C707 PolarHBondContact O-N 3.14Å; C707-A739 HydrophobicContact CB-CB 4.13Å; C707-I747 HydrophobicContact CB-CG2 4.36Å
708Q90Very high89.1Confident87 Ų8727.5 Ų27.541%0.40715%0.152SC..Hα-helixtrans-62.5-47176.4-179.2176.9-14.600111.8H704 L705 V738H704-Q708 WeakPolarHBondContact O-CB 3.44Å; H704-Q708 PolarHBondContact O-N 3.01Å; L705-Q708 WeakPolarHBondContact O-CB 3.3Å; L705-Q708 PolarHBondContact O-N 3.2Å; Q708-V738 HydrophobicContact CB-CG1 3.8Å
709H83.8Confident89Confident81 Ų8127.6 Ų27.638%0.37515%0.146SC..Hα-helixtrans-83-19.6-177.2-68.2-77.5000113.7L677 L705L677-H709 HydrophobicContact CD2-CB 3.43Å; L677-H709 VanDerWaalsContact CD2-CB 3.43Å; L677-H709 HydrophobicContact CG-CB 4.29Å; L705-H709 PolarHBondContact O-CD2 2.93Å; L705-H709 VanDerWaalsContact O-CD2 3.25Å; L705-H709 PolarHBondContact O-N 2.95Å
710G80.2Confident88.8Confident25 Ų2526.3 Ų26.326%0.25815%0.145SC..THydrogen-bonded Turntrans92.224.9165.900000116.1A706 V712 I747A706-G710 PolarHBondContact O-N 2.97Å; G710-V712 PolarHBondContact O-N 3.23Å; G710-I747 VanDerWaalsContact C-CD1 3.45Å; G710-I747 VanDerWaalsContact CA-CD1 3.45Å
711C79.8Confident88.5Confident25 Ų2529.6 Ų29.617%0.16916%0.161CC..  trans-91.997-178.6-173.60000112.2L677 A706 I714 V715L677-C711 HydrophobicContact CD2-CB 3.66Å; A706-C711 PolarHBondContact O-N 2.97Å; C711-I714 HydrophobicContact CB-CB 4.16Å; C711-I714 HydrophobicContact CB-CD1 3.93Å; C711-I714 HydrophobicContact CB-CG1 4.22Å; C711-I714 PolarHBondContact O-N 2.85Å; C711-I714 VanDerWaalsContact O-N 3.16Å; C711-I714 VanDerWaalsContact SG-CD1 3.57Å; C711-I714 VanDerWaalsContact SG-CG1 3.57Å; C711-V715 WeakPolarHBondContact O-CG2 3.35Å; C711-V715 PolarHBondContact O-N 2.94Å
712V84.4Confident88.2Confident19 Ų1932 Ų3212%0.11519%0.185CC..Hα-helixtrans-54.2-44.6-177.7176.40000113.5G710 I714 V715 K716 E746 I747G710-V712 PolarHBondContact O-N 3.23Å; V712-I714 PolarHBondContact O-N 3.47Å; V712-V715 PolarHBondContact O-N 3.37Å; V712-K716 HydrophobicContact CG1-CD 4.18Å; V712-K716 HydrophobicContact CG1-CG 4.42Å; V712-K716 WeakPolarHBondContact O-CG 3.39Å; V712-K716 PolarHBondContact O-N 3.42Å; V712-E746 HydrophobicContact CG2-CB 4.39Å; V712-E746 HydrophobicContact CG2-CG 4.04Å; V712-I747 HydrophobicContact CG2-CD1 4.23Å; V712-I747 HydrophobicContact CG2-CG1 3.7Å
713P85.8Confident88.1Confident67 Ų6732.4 Ų32.444%0.43519%0.189SC..Hα-helixtrans-60.8-40.3177.3-25.635.5000113.8F679 K716 G717F679-P713 HydrophobicContact CD2-CB 3.99Å; F679-P713 HydrophobicContact CE2-CB 4.01Å; F679-P713 VanDerWaalsContact CE2-O 3.31Å; F679-P713 WeakPolarHBondContact CE2-O 3.42Å; F679-P713 HydrophobicContact CG-CB 4.31Å; F679-P713 HydrophobicContact CZ-CB 4.35Å; P713-K716 PolarHBondContact O-N 2.57Å; P713-G717 PolarHBondContact O-N 3.42Å
714I85.9Confident87.9Confident0 Ų035.2 Ų35.20%020%0.204CC..Hα-helixtrans-66.2-45.2177.7-69173.8000110.1C674 F679 V682 A706 C711 V712 K716 G717 L718C674-I714 HydrophobicContact CB-CG2 4.5Å; F679-I714 HydrophobicContact CB-CD1 4.46Å; F679-I714 HydrophobicContact CB-CG1 3.99Å; F679-I714 HydrophobicContact CD2-CG1 3.78Å; F679-I714 HydrophobicContact CG-CG1 4.38Å; V682-I714 HydrophobicContact CG1-CG2 4.37Å; V682-I714 HydrophobicContact CG2-CD1 4.3Å; V682-I714 HydrophobicContact CG2-CG1 4.33Å; V682-I714 HydrophobicContact CG2-CG2 4.17Å; A706-I714 HydrophobicContact CB-CB 4.46Å; A706-I714 HydrophobicContact CB-CG2 3.64Å; C711-I714 HydrophobicContact CB-CB 4.16Å; C711-I714 HydrophobicContact CB-CD1 3.93Å; C711-I714 HydrophobicContact CB-CG1 4.22Å; C711-I714 PolarHBondContact O-N 2.85Å; C711-I714 VanDerWaalsContact O-N 3.16Å; C711-I714 VanDerWaalsContact SG-CD1 3.57Å; C711-I714 VanDerWaalsContact SG-CG1 3.57Å; V712-I714 PolarHBondContact O-N 3.47Å; I714-K716 PolarHBondContact O-N 2.9Å; I714-G717 PolarHBondContact O-N 2.92Å; I714-L718 HydrophobicContact CG2-CD1 3.95Å; I714-L718 HydrophobicContact CG2-CG 4.38Å; I714-L718 WeakPolarHBondContact O-CG 3.41Å; I714-L718 PolarHBondContact O-N 3.49Å
715V87.4Confident87.8Confident0 Ų039.2 Ų39.20%022%0.221CC..Hα-helixtrans-59.7-47.2177.3177.60000110.8L703 A706 C711 V712 G717 L718 L719 I747 L750 L751L703-V715 HydrophobicContact CD1-CG1 3.89Å; A706-V715 HydrophobicContact CB-CG2 3.76Å; C711-V715 WeakPolarHBondContact O-CG2 3.35Å; C711-V715 PolarHBondContact O-N 2.94Å; V712-V715 PolarHBondContact O-N 3.37Å; V715-G717 PolarHBondContact O-N 3.1Å; V715-L718 PolarHBondContact O-N 3.06Å; V715-L719 HydrophobicContact CG1-CD1 3.96Å; V715-L719 HydrophobicContact CG1-CG 4.46Å; V715-L719 VanDerWaalsContact O-CG 3.31Å; V715-L719 WeakPolarHBondContact O-CG 3.48Å; V715-L719 PolarHBondContact O-N 2.83Å; V715-I747 HydrophobicContact CG1-CG2 4.2Å; V715-I747 HydrophobicContact CG2-CD1 4.06Å; V715-I747 HydrophobicContact CG2-CG1 4.42Å; V715-I747 HydrophobicContact CG2-CG2 4.25Å; V715-L750 HydrophobicContact CB-CD2 4.17Å; V715-L750 HydrophobicContact CG1-CD2 3.58Å; V715-L751 HydrophobicContact CG1-CD2 4.45Å
716K85.1Confident87.7Confident89 Ų8943.2 Ų43.239%0.38725%0.246SC..Hα-helixtrans-58.6-46.8174.7-75.3-178.8178.5177.90111.8V712 P713 I714 L718 L719 L720 L750V712-K716 HydrophobicContact CG1-CD 4.18Å; V712-K716 HydrophobicContact CG1-CG 4.42Å; V712-K716 WeakPolarHBondContact O-CG 3.39Å; V712-K716 PolarHBondContact O-N 3.42Å; P713-K716 PolarHBondContact O-N 2.57Å; I714-K716 PolarHBondContact O-N 2.9Å; K716-L718 VanDerWaalsContact C-N 3.34Å; K716-L718 PolarHBondContact O-N 3.29Å; K716-L719 PolarHBondContact O-N 3.38Å; K716-L720 WeakPolarHBondContact O-CB 3.32Å; K716-L720 WeakPolarHBondContact O-CG 3.47Å; K716-L720 PolarHBondContact O-N 2.85Å; K716-L750 HydrophobicContact CD-CD1 4.2Å; K716-L750 HydrophobicContact CG-CD1 3.81Å; K716-L750 HydrophobicContact CG-CD2 3.68Å; K716-L750 HydrophobicContact CG-CG 4.37Å
717G84.9Confident87.7Confident6 Ų645.6 Ų45.66%0.06226%0.259CS..Hα-helixtrans-58.8-42.8178.800000112.7P713 I714 V715 N721P713-G717 PolarHBondContact O-N 3.42Å; I714-G717 PolarHBondContact O-N 2.92Å; V715-G717 PolarHBondContact O-N 3.1Å; G717-N721 PolarHBondContact O-N 2.83Å; G717-N721 PolarHBondContact O-ND2 2.94Å
718L88.8Confident87.8Confident0 Ų051 Ų510%029%0.285CS..Hα-helixtrans-66.1-46.3176.6-71.8170.1000112L670 V682 I686 V692 P702 L703 A706 I714 V715 K716 L720 N721 G722 A723L670-L718 HydrophobicContact CD2-CD2 4.29Å; V682-L718 HydrophobicContact CG1-CD2 4.48Å; I686-L718 HydrophobicContact CD1-CD2 4.04Å; V692-L718 HydrophobicContact CB-CD2 4.34Å; V692-L718 HydrophobicContact CG1-CD2 4.19Å; P702-L718 HydrophobicContact CB-CD1 4.3Å; P702-L718 HydrophobicContact CB-CD2 4.28Å; L703-L718 HydrophobicContact CB-CD1 4.38Å; L703-L718 HydrophobicContact CD1-CB 4.26Å; L703-L718 HydrophobicContact CD1-CD1 4.3Å; A706-L718 HydrophobicContact CB-CD1 3.87Å; I714-L718 HydrophobicContact CG2-CD1 3.95Å; I714-L718 HydrophobicContact CG2-CG 4.38Å; I714-L718 WeakPolarHBondContact O-CG 3.41Å; I714-L718 PolarHBondContact O-N 3.49Å; V715-L718 PolarHBondContact O-N 3.06Å; K716-L718 VanDerWaalsContact C-N 3.34Å; K716-L718 PolarHBondContact O-N 3.29Å; L718-L720 PolarHBondContact O-N 3.3Å; L718-N721 CarbonylContact O-C 3.48Å; L718-N721 PolarHBondContact O-N 3.26Å; L718-N721 VanDerWaalsContact O-N 3.13Å; L718-G722 PolarHBondContact O-N 3.34Å; L718-A723 HydrophobicContact CB-CB 3.85Å; L718-A723 WeakPolarHBondContact O-CB 3.47Å; L718-A723 PolarHBondContact O-N 3.14Å
719L89.9Confident87.9Confident27 Ų2747.9 Ų47.914%0.14127%0.271CS..Hα-helixtrans-63.2-42.4179.6-68.3170.9000112.2L703 V715 K716 N721 G722 L750 L751 L757L703-L719 HydrophobicContact CD1-CD2 4.29Å; L703-L719 HydrophobicContact CD1-CG 4.32Å; L703-L719 HydrophobicContact CD2-CD2 3.98Å; V715-L719 HydrophobicContact CG1-CD1 3.96Å; V715-L719 HydrophobicContact CG1-CG 4.46Å; V715-L719 VanDerWaalsContact O-CG 3.31Å; V715-L719 WeakPolarHBondContact O-CG 3.48Å; V715-L719 PolarHBondContact O-N 2.83Å; K716-L719 PolarHBondContact O-N 3.38Å; L719-N721 PolarHBondContact O-N 3.49Å; L719-G722 PolarHBondContact O-N 3.16Å; L719-G722 VanDerWaalsContact O-N 3.13Å; L719-L750 HydrophobicContact CD1-CD2 4.05Å; L719-L750 HydrophobicContact CD1-CG 4.49Å; L719-L751 HydrophobicContact CD1-CD2 3.98Å; L719-L751 HydrophobicContact CD2-CD2 4.22Å; L719-L757 HydrophobicContact CB-CD1 3.74Å
720L89Confident88.2Confident98 Ų9848.4 Ų48.451%0.51328%0.284SS..Hα-helixtrans-59.4-25.9175.4-77.9166.8000112.9K716 L718 L757K716-L720 WeakPolarHBondContact O-CB 3.32Å; K716-L720 WeakPolarHBondContact O-CG 3.47Å; K716-L720 PolarHBondContact O-N 2.85Å; L718-L720 PolarHBondContact O-N 3.3Å; L720-L757 HydrophobicContact CD2-CB 3.73Å; L720-L757 HydrophobicContact CD2-CD2 3.97Å; L720-L757 HydrophobicContact CD2-CG 4.39Å; L720-L757 HydrophobicContact CG-CD2 4.03Å
721N89Confident88.7Confident83 Ų8350.6 Ų50.644%0.44430%0.296SS..THydrogen-bonded Turntrans-104.219.8-178.8-70.3-85.6000112.9I686 V692 G717 L718 L719I686-N721 HydrophobicContact CD1-CB 4.48Å; I686-N721 HydrophobicContact CG2-CB 3.68Å; I686-N721 WeakPolarHBondContact CG2-OD1 3.36Å; V692-N721 HydrophobicContact CG1-CB 4.3Å; G717-N721 PolarHBondContact O-N 2.83Å; G717-N721 PolarHBondContact O-ND2 2.94Å; L718-N721 CarbonylContact O-C 3.48Å; L718-N721 PolarHBondContact O-N 3.26Å; L718-N721 VanDerWaalsContact O-N 3.13Å; L719-N721 PolarHBondContact O-N 3.49Å
722G88.2Confident89.2Confident49 Ų4951.3 Ų51.351%0.50531%0.307SS..THydrogen-bonded Turntrans89.323.3169.500000115.6N693 L718 L719 D724N693-G722 PolarHBondContact ND2-O 3.35Å; L718-G722 PolarHBondContact O-N 3.34Å; L719-G722 PolarHBondContact O-N 3.16Å; L719-G722 VanDerWaalsContact O-N 3.13Å; G722-D724 PolarHBondContact O-N 2.94Å
723A93Very high89.5Confident10 Ų1051.4 Ų51.48%0.08331%0.309CS..  trans-65.1126.8171.700000111.4V692 N693 L703 L718 K725V692-A723 HydrophobicContact CB-CB 4.41Å; V692-A723 HydrophobicContact CG2-CB 4.45Å; N693-A723 WeakPolarHBondContact OD1-CA 3.32Å; L703-A723 HydrophobicContact CB-CB 4.34Å; L703-A723 HydrophobicContact CD2-CB 4.12Å; L718-A723 HydrophobicContact CB-CB 3.85Å; L718-A723 WeakPolarHBondContact O-CB 3.47Å; L718-A723 PolarHBondContact O-N 3.14Å; A723-K725 PolarHBondContact O-N 3.13Å
724D91.8Very high89.9Confident58 Ų5849.5 Ų49.531%0.3130%0.296SS..  trans-83.3114.6-177.8-174.2-6.5000110.9N693 G722 T726 L727N693-D724 PolarHBondContact OD1-N 2.88Å; G722-D724 PolarHBondContact O-N 2.94Å; D724-T726 VanDerWaalsContact C-N 3.27Å; D724-T726 VanDerWaalsContact CG-OG1 3.26Å; D724-T726 PolarHBondContact O-N 2.94Å; D724-T726 WeakPolarHBondContact OD1-CA 3.37Å; D724-T726 VanDerWaalsContact OD1-CB 3.31Å; D724-T726 WeakPolarHBondContact OD1-CB 3.36Å; D724-T726 PolarHBondContact OD1-N 3.32Å; D724-T726 PolarHBondContact OD1-OG1 3.44Å; D724-T726 PolarHBondContact OD2-OG1 3.43Å; D724-L727 HydrophobicContact CB-CD1 3.88Å; D724-L727 HydrophobicContact CB-CG 3.92Å
725K90.9Very high90.2Very high89 Ų8949.5 Ų49.539%0.38730%0.296SS..THydrogen-bonded Turntrans-76-11178.266.3-178-178.2-1800114.1L703 A723L703-K725 HydrophobicContact CD2-CB 4.39Å; A723-K725 PolarHBondContact O-N 3.13Å
726T90.8Very high90.4Very high94 Ų9451.5 Ų51.558%0.57731%0.306SS*.THydrogen-bonded Turntrans-90.3-16.9-177.1730000113.4D724D724-T726 VanDerWaalsContact C-N 3.27Å; D724-T726 VanDerWaalsContact CG-OG1 3.26Å; D724-T726 PolarHBondContact O-N 2.94Å; D724-T726 WeakPolarHBondContact OD1-CA 3.37Å; D724-T726 VanDerWaalsContact OD1-CB 3.31Å; D724-T726 WeakPolarHBondContact OD1-CB 3.36Å; D724-T726 PolarHBondContact OD1-N 3.32Å; D724-T726 PolarHBondContact OD1-OG1 3.44Å; D724-T726 PolarHBondContact OD2-OG1 3.43Å
727L92.1Very high90.8Very high50 Ų5050.5 Ų50.526%0.26231%0.305SS..  trans-60.4139.7176.2-67.9174.8000110.5N693 L695 T701 H704 D724N693-L727 HydrophobicContact CB-CD1 4.12Å; L695-L727 HydrophobicContact CD2-CD1 4.49Å; T701-L727 HydrophobicContact CG2-CB 4.12Å; T701-L727 HydrophobicContact CG2-CD1 3.6Å; H704-L727 PolarHBondContact CE1-O 2.97Å; H704-L727 PolarHBondContact NE2-O 3.5Å; D724-L727 HydrophobicContact CB-CD1 3.88Å; D724-L727 HydrophobicContact CB-CG 3.92Å
728M92.6Very high91.1Very high113 Ų11350.3 Ų50.356%0.55730%0.303SS*.BIsolated β-bridgetrans-111.8136.6-179.8-66.4-178.6-74.200110.2S733 T734M728-S733 WeakPolarHBondContact CA-O 3.45Å; M728-T734 HydrophobicContact CG-CG2 3.91Å
729D92Very high91.3Very high22 Ų2250.3 Ų50.312%0.11830%0.303CS..  trans-69.3178.9168.473.511.3000111.9A700 S731 G732 S733A700-D729 HydrophobicContact CB-CB 4.39Å; D729-S731 VanDerWaalsContact CG-OG 3.27Å; D729-S731 PolarHBondContact O-N 3.33Å; D729-S731 VanDerWaalsContact O-N 3.11Å; D729-S731 VanDerWaalsContact OD1-CA 3.3Å; D729-S731 WeakPolarHBondContact OD1-CA 3.35Å; D729-S731 WeakPolarHBondContact OD1-CB 3.44Å; D729-S731 PolarHBondContact OD1-N 2.97Å; D729-S731 PolarHBondContact OD1-OG 3.4Å; D729-S731 PolarHBondContact OD2-OG 2.93Å; D729-G732 PolarHBondContact O-N 3.41Å; D729-G732 PolarHBondContact OD1-N 3.3Å; D729-S733 PolarHBondContact N-O 3.44Å; D729-S733 WeakPolarHBondContact OD1-CB 3.43Å; D729-S733 PolarHBondContact OD1-N 3.46Å
730S91.4Very high91.3Very high93 Ų9352.3 Ų52.365%0.6531%0.311SS*.THydrogen-bonded Turntrans-63.2-15.7179.559.80000114G698 G732G698-S730 VanDerWaalsContact O-CB 3.28Å; G698-S730 WeakPolarHBondContact O-CB 3.32Å; G698-S730 PolarHBondContact O-N 2.91Å; G698-S730 PolarHBondContact O-OG 3.16Å; S730-G732 VanDerWaalsContact C-N 3.34Å
731S89.3Confident91.5Very high71 Ų7155.1 Ų55.150%0.49732%0.315SS..THydrogen-bonded Turntrans-89.1-0.7174.577.50000113.2D729 S733D729-S731 VanDerWaalsContact CG-OG 3.27Å; D729-S731 PolarHBondContact O-N 3.33Å; D729-S731 VanDerWaalsContact O-N 3.11Å; D729-S731 VanDerWaalsContact OD1-CA 3.3Å; D729-S731 WeakPolarHBondContact OD1-CA 3.35Å; D729-S731 WeakPolarHBondContact OD1-CB 3.44Å; D729-S731 PolarHBondContact OD1-N 2.97Å; D729-S731 PolarHBondContact OD1-OG 3.4Å; D729-S731 PolarHBondContact OD2-OG 2.93Å; S731-S733 VanDerWaalsContact C-N 3.27Å; S731-S733 WeakPolarHBondContact OG-CB 3.4Å; S731-S733 PolarHBondContact OG-OG 3.21Å
732G90.5Very high91.6Very high40 Ų4053.1 Ų53.141%0.41231%0.307SS..SBendtrans75.815.6-17300000113.1D729 S730D729-G732 PolarHBondContact O-N 3.41Å; D729-G732 PolarHBondContact OD1-N 3.3Å; S730-G732 VanDerWaalsContact C-N 3.34Å
733S91.9Very high91.7Very high20 Ų2057.7 Ų57.714%0.1432%0.315CS..  trans-92.4130.9179.8-61.70000110.2H704 M728 D729 S731H704-S733 PolarHBondContact NE2-O 3.22Å; H704-S733 VanDerWaalsContact NE2-O 3.14Å; M728-S733 WeakPolarHBondContact CA-O 3.45Å; D729-S733 PolarHBondContact N-O 3.44Å; D729-S733 WeakPolarHBondContact OD1-CB 3.43Å; D729-S733 PolarHBondContact OD1-N 3.46Å; S731-S733 VanDerWaalsContact C-N 3.27Å; S731-S733 WeakPolarHBondContact OG-CB 3.4Å; S731-S733 PolarHBondContact OG-OG 3.21Å
734T94.3Very high91.5Very high27 Ų2761 Ų6117%0.16633%0.328CS..BIsolated β-bridgetrans-79167.1166.662.50000110.7M728 L736 N737 V738M728-T734 HydrophobicContact CG-CG2 3.91Å; T734-L736 PolarHBondContact O-N 3.12Å; T734-L736 VanDerWaalsContact O-N 3.13Å; T734-N737 WeakPolarHBondContact O-CB 3.34Å; T734-N737 PolarHBondContact O-N 3.25Å; T734-N737 PolarHBondContact OG1-N 3.47Å; T734-N737 PolarHBondContact OG1-OD1 2.97Å; T734-V738 PolarHBondContact O-N 3.07Å
735A91.5Very high91.3Very high0 Ų066 Ų660%034%0.343CS..Hα-helixtrans-54.2-33.1173.200000112.9L703 H704 V738 A739 L751L703-A735 HydrophobicContact CD2-CB 3.85Å; L703-A735 HydrophobicContact CG-CB 3.77Å; H704-A735 PolarHBondContact NE2-N 2.99Å; A735-V738 PolarHBondContact O-N 3.32Å; A735-A739 WeakPolarHBondContact O-CB 3.37Å; A735-A739 PolarHBondContact O-N 3.3Å; A735-L751 HydrophobicContact CB-CD1 4.48Å
736L92.2Very high91.1Very high42 Ų4268 Ų6822%0.2235%0.353CS..Hα-helixtrans-66-45.4173.9178.764.9000112T734 V738 A739 Q740 V748 L751 K752T734-L736 PolarHBondContact O-N 3.12Å; T734-L736 VanDerWaalsContact O-N 3.13Å; L736-V738 VanDerWaalsContact C-N 3.29Å; L736-V738 PolarHBondContact O-N 2.75Å; L736-A739 PolarHBondContact O-N 2.87Å; L736-Q740 WeakPolarHBondContact O-CG 3.31Å; L736-Q740 PolarHBondContact O-N 3.22Å; L736-V748 HydrophobicContact CD1-CB 4.44Å; L736-V748 HydrophobicContact CD1-CG1 3.96Å; L736-L751 HydrophobicContact CB-CD1 4.28Å; L736-L751 HydrophobicContact CD1-CB 3.89Å; L736-L751 HydrophobicContact CD1-CD1 4.35Å; L736-K752 HydrophobicContact CD1-CG 4Å; L736-K752 HydrophobicContact CD2-CG 4.31Å
737N92.6Very high90.9Very high68 Ų6863.7 Ų63.736%0.36433%0.326SS..Hα-helixtrans-63.1-39.6177.9-65.2-5.2000110.7T734 Q740 R741T734-N737 WeakPolarHBondContact O-CB 3.34Å; T734-N737 PolarHBondContact O-N 3.25Å; T734-N737 PolarHBondContact OG1-N 3.47Å; T734-N737 PolarHBondContact OG1-OD1 2.97Å; N737-Q740 PolarHBondContact O-N 3.04Å; N737-R741 WeakPolarHBondContact O-CB 3.5Å; N737-R741 PolarHBondContact O-N 3.14Å
738V91.5Very high90.8Very high3 Ų361.5 Ų61.52%0.01832%0.315CS..Hα-helixtrans-63.5-46.6175.2175.90000111.2Q708 T734 A735 L736 Q740 R741 C742Q708-V738 HydrophobicContact CB-CG1 3.8Å; T734-V738 PolarHBondContact O-N 3.07Å; A735-V738 PolarHBondContact O-N 3.32Å; L736-V738 VanDerWaalsContact C-N 3.29Å; L736-V738 PolarHBondContact O-N 2.75Å; V738-Q740 VanDerWaalsContact C-N 3.32Å; V738-Q740 PolarHBondContact O-N 3.47Å; V738-R741 PolarHBondContact O-N 3.38Å; V738-C742 WeakPolarHBondContact O-CB 3.45Å; V738-C742 PolarHBondContact O-N 2.92Å; V738-C742 PolarHBondContact O-SG 3.19Å
739A91.8Very high90.5Very high0 Ų061.8 Ų61.80%032%0.315CS..Hα-helixtrans-60.9-38.8177.100000112.7C707 A735 L736 E743 K744 I747 V748 L751C707-A739 HydrophobicContact CB-CB 4.13Å; A735-A739 WeakPolarHBondContact O-CB 3.37Å; A735-A739 PolarHBondContact O-N 3.3Å; L736-A739 PolarHBondContact O-N 2.87Å; A739-E743 PolarHBondContact O-N 3.33Å; A739-K744 PolarHBondContact O-N 2.98Å; A739-I747 HydrophobicContact CB-CB 4.43Å; A739-I747 HydrophobicContact CB-CG2 3.86Å; A739-V748 HydrophobicContact CB-CG2 3.74Å; A739-L751 HydrophobicContact CB-CD1 4.18Å
740Q91.8Very high90.3Very high68 Ų6862.7 Ų62.732%0.31832%0.32SS..Hα-helixtrans-66.8-46.6175.6-73.2176.5-1.600111.8L736 N737 V738 C742 E743 W745 V748L736-Q740 WeakPolarHBondContact O-CG 3.31Å; L736-Q740 PolarHBondContact O-N 3.22Å; N737-Q740 PolarHBondContact O-N 3.04Å; V738-Q740 VanDerWaalsContact C-N 3.32Å; V738-Q740 PolarHBondContact O-N 3.47Å; Q740-C742 PolarHBondContact O-N 3.23Å; Q740-E743 PolarHBondContact O-N 3.38Å; Q740-E743 VanDerWaalsContact O-N 3.07Å; Q740-W745 HydrophobicContact CG-CZ3 4.48Å; Q740-V748 HydrophobicContact CB-CG2 4.35Å; Q740-V748 HydrophobicContact CG-CB 4.46Å; Q740-V748 HydrophobicContact CG-CG1 3.89Å; Q740-V748 HydrophobicContact CG-CG2 3.63Å
741R92.9Very high90Very high158 Ų15858.6 Ų58.660%0.59629%0.291SS*.Hα-helixtrans-61.3-33.5178.2-175.7176.565.6178.3-3.4112.4N737 V738 E743N737-R741 WeakPolarHBondContact O-CB 3.5Å; N737-R741 PolarHBondContact O-N 3.14Å; V738-R741 PolarHBondContact O-N 3.38Å; R741-E743 VanDerWaalsContact C-N 3.33Å
742C89.6Confident89.8Confident40 Ų4060.9 Ų60.927%0.2729%0.292SS..THydrogen-bonded Turntrans-9110.5177.7-64.50000113.7V738 Q740 K744V738-C742 WeakPolarHBondContact O-CB 3.45Å; V738-C742 PolarHBondContact O-N 2.92Å; V738-C742 PolarHBondContact O-SG 3.19Å; Q740-C742 PolarHBondContact O-N 3.23Å; C742-K744 HydrophobicContact CB-CG 4.11Å; C742-K744 PolarHBondContact O-N 3.39Å
743E91.7Very high89Confident145 Ų14562.9 Ų62.968%0.67829%0.293SS*.THydrogen-bonded Turntrans55.932.1177.6-57.5-179.1-176.500114.4A739 Q740 R741 W745A739-E743 PolarHBondContact O-N 3.33Å; Q740-E743 PolarHBondContact O-N 3.38Å; Q740-E743 VanDerWaalsContact O-N 3.07Å; R741-E743 VanDerWaalsContact C-N 3.33Å; E743-W745 PolarHBondContact O-N 2.86Å; E743-W745 VanDerWaalsContact O-N 3.16Å
744K88.3Confident87.2Confident80 Ų8070.3 Ų70.335%0.34833%0.325SS..  trans-89.468.4180-56.5-55.7-178.2-1800111.4A739 C742 E746 I747 V748A739-K744 PolarHBondContact O-N 2.98Å; C742-K744 HydrophobicContact CB-CG 4.11Å; C742-K744 PolarHBondContact O-N 3.39Å; K744-E746 VanDerWaalsContact C-N 3.34Å; K744-E746 PolarHBondContact O-N 2.95Å; K744-I747 HydrophobicContact CB-CB 4.22Å; K744-I747 HydrophobicContact CB-CD1 4.18Å; K744-I747 PolarHBondContact O-N 3.1Å; K744-V748 WeakPolarHBondContact O-CG2 3.43Å; K744-V748 PolarHBondContact O-N 2.88Å
745W87.4Confident84.7Confident164 Ų16473.6 Ų73.662%0.62135%0.348SS*.Hα-helixtrans-57.5-37.3-169.7-62.2120.7000115.4Q740 E743 I747 V748 E749Q740-W745 HydrophobicContact CG-CZ3 4.48Å; E743-W745 PolarHBondContact O-N 2.86Å; E743-W745 VanDerWaalsContact O-N 3.16Å; W745-I747 VanDerWaalsContact C-N 3.3Å; W745-I747 PolarHBondContact O-N 3.25Å; W745-V748 HydrophobicContact CE3-CB 4.19Å; W745-V748 HydrophobicContact CE3-CG1 4.24Å; W745-V748 HydrophobicContact CE3-CG2 4.11Å; W745-V748 HydrophobicContact CZ3-CG1 4.41Å; W745-V748 HydrophobicContact CZ3-CG2 4.41Å; W745-V748 WeakPolarHBondContact O-CB 3.23Å; W745-V748 PolarHBondContact O-N 3.49Å; W745-E749 PolarHBondContact O-N 3.25Å
746E86.6Confident82.5Confident131 Ų13183.6 Ų83.661%0.61239%0.392SS*.Hα-helixtrans-62.3-37.5176.1-169.9-179.1172.900112.1V712 K744 L750V712-E746 HydrophobicContact CG2-CB 4.39Å; V712-E746 HydrophobicContact CG2-CG 4.04Å; K744-E746 VanDerWaalsContact C-N 3.34Å; K744-E746 PolarHBondContact O-N 2.95Å; E746-L750 WeakPolarHBondContact O-CB 3.39Å; E746-L750 PolarHBondContact O-N 2.92Å
747I87.8Confident80Confident2 Ų288.3 Ų88.31%0.0142%0.417CS..Hα-helixtrans-75.6-35.9176-67.4170.3000110.9C707 G710 V712 V715 A739 K744 W745 E749 L750 L751C707-I747 HydrophobicContact CB-CG2 4.36Å; G710-I747 VanDerWaalsContact C-CD1 3.45Å; G710-I747 VanDerWaalsContact CA-CD1 3.45Å; V712-I747 HydrophobicContact CG2-CD1 4.23Å; V712-I747 HydrophobicContact CG2-CG1 3.7Å; V715-I747 HydrophobicContact CG1-CG2 4.2Å; V715-I747 HydrophobicContact CG2-CD1 4.06Å; V715-I747 HydrophobicContact CG2-CG1 4.42Å; V715-I747 HydrophobicContact CG2-CG2 4.25Å; A739-I747 HydrophobicContact CB-CB 4.43Å; A739-I747 HydrophobicContact CB-CG2 3.86Å; K744-I747 HydrophobicContact CB-CB 4.22Å; K744-I747 HydrophobicContact CB-CD1 4.18Å; K744-I747 PolarHBondContact O-N 3.1Å; W745-I747 VanDerWaalsContact C-N 3.3Å; W745-I747 PolarHBondContact O-N 3.25Å; I747-E749 VanDerWaalsContact C-N 3.29Å; I747-E749 PolarHBondContact O-N 3.37Å; I747-L750 WeakPolarHBondContact O-CB 3.25Å; I747-L750 PolarHBondContact O-N 3.46Å; I747-L751 HydrophobicContact CG2-CD1 3.83Å; I747-L751 HydrophobicContact CG2-CG 4.22Å; I747-L751 WeakPolarHBondContact O-CB 3.44Å; I747-L751 WeakPolarHBondContact O-CG 3.4Å; I747-L751 PolarHBondContact O-N 3.4Å
748V89Confident79.3Confident4 Ų489.4 Ų89.42%0.02442%0.419CS..Hα-helixtrans-59.8-43.8174172.70000110.4L736 A739 Q740 K744 W745 L751 K752L736-V748 HydrophobicContact CD1-CB 4.44Å; L736-V748 HydrophobicContact CD1-CG1 3.96Å; A739-V748 HydrophobicContact CB-CG2 3.74Å; Q740-V748 HydrophobicContact CB-CG2 4.35Å; Q740-V748 HydrophobicContact CG-CB 4.46Å; Q740-V748 HydrophobicContact CG-CG1 3.89Å; Q740-V748 HydrophobicContact CG-CG2 3.63Å; K744-V748 WeakPolarHBondContact O-CG2 3.43Å; K744-V748 PolarHBondContact O-N 2.88Å; W745-V748 HydrophobicContact CE3-CB 4.19Å; W745-V748 HydrophobicContact CE3-CG1 4.24Å; W745-V748 HydrophobicContact CE3-CG2 4.11Å; W745-V748 HydrophobicContact CZ3-CG1 4.41Å; W745-V748 HydrophobicContact CZ3-CG2 4.41Å; W745-V748 WeakPolarHBondContact O-CB 3.23Å; W745-V748 PolarHBondContact O-N 3.49Å; V748-L751 PolarHBondContact O-N 3.01Å; V748-K752 HydrophobicContact CG1-CD 4.01Å; V748-K752 WeakPolarHBondContact O-CB 3.45Å; V748-K752 VanDerWaalsContact O-CG 3.25Å; V748-K752 WeakPolarHBondContact O-CG 3.45Å; V748-K752 PolarHBondContact O-N 3.21Å; V748-K752 VanDerWaalsContact O-N 3.1Å
749E86.8Confident78.7Confident120 Ų12093.9 Ų93.956%0.56144%0.44SS*.Hα-helixtrans-64.2-44.8175-174.5173.3-174.700111.4W745 I747 L751 K752 N753W745-E749 PolarHBondContact O-N 3.25Å; I747-E749 VanDerWaalsContact C-N 3.29Å; I747-E749 PolarHBondContact O-N 3.37Å; E749-L751 VanDerWaalsContact C-N 3.34Å; E749-L751 PolarHBondContact O-N 2.91Å; E749-K752 PolarHBondContact O-N 2.97Å; E749-N753 WeakPolarHBondContact CG-ND2 3.36Å; E749-N753 WeakPolarHBondContact O-CB 3.46Å; E749-N753 VanDerWaalsContact O-CG 3.31Å; E749-N753 PolarHBondContact O-N 3.04Å
750L86.8Confident78Confident40 Ų4099.1 Ų99.121%0.20947%0.465CS..Hα-helixtrans-57.4-42.9176.1-170.984.3000113V715 K716 L719 E746 I747V715-L750 HydrophobicContact CB-CD2 4.17Å; V715-L750 HydrophobicContact CG1-CD2 3.58Å; K716-L750 HydrophobicContact CD-CD1 4.2Å; K716-L750 HydrophobicContact CG-CD1 3.81Å; K716-L750 HydrophobicContact CG-CD2 3.68Å; K716-L750 HydrophobicContact CG-CG 4.37Å; L719-L750 HydrophobicContact CD1-CD2 4.05Å; L719-L750 HydrophobicContact CD1-CG 4.49Å; E746-L750 WeakPolarHBondContact O-CB 3.39Å; E746-L750 PolarHBondContact O-N 2.92Å; I747-L750 WeakPolarHBondContact O-CB 3.25Å; I747-L750 PolarHBondContact O-N 3.46Å
751L86.3Confident77.1Confident8 Ų8100.9 Ų100.94%0.04247%0.474CS..Hα-helixtrans-75.4-27.1-178.6-71.8170.8000113V715 L719 A735 L736 A739 I747 V748 E749V715-L751 HydrophobicContact CG1-CD2 4.45Å; L719-L751 HydrophobicContact CD1-CD2 3.98Å; L719-L751 HydrophobicContact CD2-CD2 4.22Å; A735-L751 HydrophobicContact CB-CD1 4.48Å; L736-L751 HydrophobicContact CB-CD1 4.28Å; L736-L751 HydrophobicContact CD1-CB 3.89Å; L736-L751 HydrophobicContact CD1-CD1 4.35Å; A739-L751 HydrophobicContact CB-CD1 4.18Å; I747-L751 HydrophobicContact CG2-CD1 3.83Å; I747-L751 HydrophobicContact CG2-CG 4.22Å; I747-L751 WeakPolarHBondContact O-CB 3.44Å; I747-L751 WeakPolarHBondContact O-CG 3.4Å; I747-L751 PolarHBondContact O-N 3.4Å; V748-L751 PolarHBondContact O-N 3.01Å; E749-L751 VanDerWaalsContact C-N 3.34Å; E749-L751 PolarHBondContact O-N 2.91Å
752K85.6Confident76.2Confident119 Ų11997.4 Ų97.452%0.51747%0.466SS..Hα-helixtrans-80.2-38.1176.9-77.3177.1178.9179.50112.6L736 V748 E749 E754L736-K752 HydrophobicContact CD1-CG 4Å; L736-K752 HydrophobicContact CD2-CG 4.31Å; V748-K752 HydrophobicContact CG1-CD 4.01Å; V748-K752 WeakPolarHBondContact O-CB 3.45Å; V748-K752 VanDerWaalsContact O-CG 3.25Å; V748-K752 WeakPolarHBondContact O-CG 3.45Å; V748-K752 PolarHBondContact O-N 3.21Å; V748-K752 VanDerWaalsContact O-N 3.1Å; E749-K752 PolarHBondContact O-N 2.97Å; K752-E754 PolarHBondContact O-N 3.16Å
753N72.9Confident75.3Confident82 Ų82101.2 Ų101.244%0.43948%0.479SS..  trans-74.7114.3-176.6-72.5-14.7000110.3E749 C755E749-N753 WeakPolarHBondContact CG-ND2 3.36Å; E749-N753 WeakPolarHBondContact O-CB 3.46Å; E749-N753 VanDerWaalsContact O-CG 3.31Å; E749-N753 PolarHBondContact O-N 3.04Å; N753-C755 PolarHBondContact O-N 3.23Å
754E54.5Low74.1Confident176 Ų17698.1 Ų98.182%0.82247%0.465SS*.  trans-72.536.7163.6-65.1-169.415800111.8K752 K756K752-E754 PolarHBondContact O-N 3.16Å; E754-K756 PolarHBondContact O-N 3.09Å; E754-K756 VanDerWaalsContact O-N 3.09Å
755C41.2Very low73Confident96 Ų9699.5 Ų99.565%0.64947%0.474SS*.  trans-69.5115171.8-830000106.9N753 L757N753-C755 PolarHBondContact O-N 3.23Å; C755-L757 PolarHBondContact O-N 3.28Å
756K44.9Very low71.8Confident210 Ų21094.1 Ų94.191%0.91346%0.461SS*.  trans-31.3103.6168.3-71.5175.8176.3177.50109.5E754E754-K756 PolarHBondContact O-N 3.09Å; E754-K756 VanDerWaalsContact O-N 3.09Å
757L39.5Very low70.5Confident141 Ų14190.7 Ų90.774%0.73845%0.448SS*.  trans-67.10174.3-89.2163000110.1L719 L720 C755L719-L757 HydrophobicContact CB-CD1 3.74Å; L720-L757 HydrophobicContact CD2-CB 3.73Å; L720-L757 HydrophobicContact CD2-CD2 3.97Å; L720-L757 HydrophobicContact CD2-CG 4.39Å; L720-L757 HydrophobicContact CG-CD2 4.03Å; C755-L757 PolarHBondContact O-N 3.28Å

Retrieved 757 of 757 residues in 964.8 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).