A0A077ZIH8_TRITR Loading...

Rab3 GTPase activating protein non catalytic

AlphaFold DB , UniProt , Accession A0A077ZIH8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 916 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.6Very low39.5Very low242 Ų242140.5 Ų140.5100%1.19278%0.776SS**  01030-74.1174.7140.400106.6
2V38.4Very low40.7Very low140 Ų140138.2 Ų138.285%0.84875%0.753SS**  trans-107118.3174177.90000105.5T4V2-T4 PolarHBondContact O-N 3.45Å; V2-T4 VanDerWaalsContact O-N 3.15Å
3D35.7Very low41.9Very low156 Ų156142.1 Ų142.183%0.83476%0.759SS**  trans-55.1113.8-176.5-76.8-40.4000111.4A5D3-A5 VanDerWaalsContact C-N 3.26Å; D3-A5 PolarHBondContact O-N 3.41Å
4T37.3Very low43.6Very low130 Ų130136.9 Ų136.980%0.79873%0.731SS**  trans-72.982.7166.547.60000108.1V2 L6V2-T4 PolarHBondContact O-N 3.45Å; V2-T4 VanDerWaalsContact O-N 3.15Å; T4-L6 PolarHBondContact O-N 3.01Å
5A38.4Very low45.1Very low88 Ų88137.9 Ų137.973%0.72774%0.737SS**  trans-59.3112.3165.500000108D3 V7D3-A5 VanDerWaalsContact C-N 3.26Å; D3-A5 PolarHBondContact O-N 3.41Å; A5-V7 PolarHBondContact O-N 3.49Å; A5-V7 VanDerWaalsContact O-N 3.1Å
6L36.6Very low46.9Very low171 Ų171142.4 Ų142.490%0.89574%0.74SS**  trans-44.6114.9175.2-76.1115.7000109.7T4 D8T4-L6 PolarHBondContact O-N 3.01Å; L6-D8 PolarHBondContact O-N 3.28Å; L6-D8 VanDerWaalsContact O-N 3.14Å
7V39.4Very low48.4Very low115 Ų115140.4 Ų140.470%0.69772%0.721SS**  trans-67.2112172176.50000106.2A5 E9A5-V7 PolarHBondContact O-N 3.49Å; A5-V7 VanDerWaalsContact O-N 3.1Å; V7-E9 PolarHBondContact O-N 3.36Å
8D40.4Very low50.1Low125 Ų125138.7 Ų138.767%0.66871%0.713SS**  trans-39.5107.7171-103.4-38.7000110.2L6 N10 I11L6-D8 PolarHBondContact O-N 3.28Å; L6-D8 VanDerWaalsContact O-N 3.14Å; D8-N10 PolarHBondContact O-N 3.12Å; D8-N10 VanDerWaalsContact O-N 3.14Å; D8-I11 WeakPolarHBondContact O-CG1 3.39Å
9E40.4Very low51.6Low188 Ų188134.9 Ų134.988%0.87971%0.712SS**SBendtrans-71.6-2.6-179.4-67.9-169.5153.400112.4V7V7-E9 PolarHBondContact O-N 3.36Å
10N41.4Very low53.1Low123 Ų123137 Ų13766%0.65871%0.709SS**  trans-104.335.1-166.5-68.7-28.7000114.8D8 F12D8-N10 PolarHBondContact O-N 3.12Å; D8-N10 VanDerWaalsContact O-N 3.14Å; N10-F12 PolarHBondContact O-N 2.93Å
11I50.8Low54.7Low67 Ų67134.3 Ų134.334%0.34469%0.694SS.*SBendtrans-73.9-23.2-167.9-53.9172000113.3D8 K49D8-I11 WeakPolarHBondContact O-CG1 3.39Å; I11-K49 HydrophobicContact CD1-CD 4.4Å; I11-K49 HydrophobicContact CG2-CD 4.12Å
12F54.2Low57.1Low113 Ų113128.1 Ų128.150%0.49667%0.665SS.*  trans-146.285.3-173.9-63.4-70.5000115.5N10 W44N10-F12 PolarHBondContact O-N 2.93Å; F12-W44 HydrophobicContact CD1-CH2 4.13Å; F12-W44 HydrophobicContact CD1-CZ3 4.15Å; F12-W44 AromaticContact CE1-CE3 3.93Å; F12-W44 HydrophobicContact CE1-CE3 3.93Å; F12-W44 AromaticContact CE1-CH2 3.72Å; F12-W44 HydrophobicContact CE1-CH2 3.72Å; F12-W44 AromaticContact CE1-CZ3 3.3Å; F12-W44 HydrophobicContact CE1-CZ3 3.3Å; F12-W44 HydrophobicContact CZ-CE3 4.05Å; F12-W44 AromaticContact CZ-CZ3 3.86Å; F12-W44 HydrophobicContact CZ-CZ3 3.86Å
13F55.5Low59.5Low189 Ų189121.8 Ų121.883%0.82963%0.626SS**  trans-117.4123.9161.9-87.5-88.6000110.3
14D65.8Low61.9Low70 Ų70119.9 Ų119.937%0.37461%0.611SS.*  trans-124.6103.2165.5177.5-20.3000106.7R16 R17D14-R16 PolarHBondContact O-N 3.44Å; D14-R16 PolarHBondContact OD1-N 3.35Å; D14-R16 VanDerWaalsContact OD1-N 3.08Å; D14-R17 HydrophobicContact CB-CB 4.03Å; D14-R17 CarbonylContact O-C 3.09Å; D14-R17 PolarHBondContact O-N 3.27Å; D14-R17 VanDerWaalsContact O-O 3.08Å; D14-R17 PolarHBondContact OD1-N 2.89Å; D14-R17 WeakPolarHBondContact OD2-CD 3.06Å; D14-R17 WeakPolarHBondContact OD2-CG 3.48Å; D14-R17 IonicContact OD2-CZ 2.78Å; D14-R17 IonicContact OD2-NE 3.94Å; D14-R17 PolarHBondContact OD2-NE 3.05Å; D14-R17 IonicContact OD2-NH1 3.8Å
15D66.8Low64.2Low152 Ų152114.3 Ų114.381%0.81358%0.578SS**THydrogen-bonded Turntrans-56.5-22.5-174.4-67.4-22.3000113.9
16R74Confident66.1Low209 Ų209110.7 Ų110.779%0.78955%0.547SS*.THydrogen-bonded Turntrans-90.3-16.3178.2-61.8-168.3-177.9-161.92.5112.6D14D14-R16 PolarHBondContact O-N 3.44Å; D14-R16 PolarHBondContact OD1-N 3.35Å; D14-R16 VanDerWaalsContact OD1-N 3.08Å
17R72.4Confident67.7Low109 Ų109105.7 Ų105.741%0.41154%0.537SS..  trans-128105.6-169.8-63.5-173.5-164.6161.45.6111.4D14 F38 R40D14-R17 HydrophobicContact CB-CB 4.03Å; D14-R17 CarbonylContact O-C 3.09Å; D14-R17 PolarHBondContact O-N 3.27Å; D14-R17 VanDerWaalsContact O-O 3.08Å; D14-R17 PolarHBondContact OD1-N 2.89Å; D14-R17 WeakPolarHBondContact OD2-CD 3.06Å; D14-R17 WeakPolarHBondContact OD2-CG 3.48Å; D14-R17 IonicContact OD2-CZ 2.78Å; D14-R17 IonicContact OD2-NE 3.94Å; D14-R17 PolarHBondContact OD2-NE 3.05Å; D14-R17 IonicContact OD2-NH1 3.8Å; R17-F38 HydrophobicContact CG-CD2 3.6Å; R17-F38 HydrophobicContact CG-CE2 3.3Å; R17-F38 HydrophobicContact CG-CZ 4.27Å; R17-R40 VanDerWaalsContact NE-NH2 3.11Å
18N78.1Confident69.1Low110 Ų110105.2 Ų105.259%0.58853%0.531SS*.  trans-88.9124.9174.2-62.6-15000109.3D36 S37N18-D36 CarbonylContact O-C 3.45Å; N18-D36 WeakPolarHBondContact O-CA 3.46Å; N18-S37 PolarHBondContact N-OG 3.14Å; N18-S37 PolarHBondContact O-N 3.43Å
19G78.6Confident70.6Confident66 Ų66101.1 Ų101.168%0.6851%0.512SS*.EExtended strand (participates in β ladder)trans-61.9133166.700000110.1S35G19-S35 CarbonylContact C-O 3.19Å; G19-S35 WeakPolarHBondContact CA-O 3.43Å
20R82.9Confident72.6Confident177 Ų17797.5 Ų97.567%0.66849%0.491SS*.EExtended strand (participates in β ladder)trans-103.6-37.5179.3-73.8-168.2172.1-169.30.8113.5S35R20-S35 PolarHBondContact N-O 3.42Å
21Q85.1Confident74.9Confident81 Ų8192.9 Ų92.938%0.37947%0.466SS..EExtended strand (participates in β ladder)trans-149.3138.4-175.8-172.7179.16.900109.1A34 S35 F63Q21-A34 CarbonylContact O-C 3.59Å; Q21-A34 VanDerWaalsContact O-CA 3.27Å; Q21-A34 WeakPolarHBondContact O-CA 3.44Å; Q21-S35 WeakPolarHBondContact CB-OG 3.49Å; Q21-S35 PolarHBondContact N-OG 3.31Å; Q21-S35 PolarHBondContact O-N 2.99Å; Q21-F63 HydrophobicContact CB-CE1 4.4Å; Q21-F63 HydrophobicContact CB-CZ 4.04Å; Q21-F63 HydrophobicContact CG-CE1 4.49Å; Q21-F63 HydrophobicContact CG-CZ 4.05Å
22L87.5Confident76.8Confident112 Ų11290 Ų9059%0.58645%0.451SS*.EExtended strand (participates in β ladder)trans-119.3136.3172.9-64.4175.4000109.1F24 V32 A34L22-F24 HydrophobicContact CB-CE2 4.4Å; L22-V32 HydrophobicContact CD2-CG1 4.11Å; L22-A34 HydrophobicContact CD2-CB 3.45Å; L22-A34 VanDerWaalsContact CD2-CB 3.45Å
23C87.5Confident78.5Confident6 Ų684.6 Ų84.64%0.04143%0.428CS..EExtended strand (participates in β ladder)trans-133.9108.8179.4-169.20000109.1A33 F63 W65 Y121C23-A33 HydrophobicContact CB-CB 4.41Å; C23-A33 PolarHBondContact N-O 3.47Å; C23-A33 PolarHBondContact O-N 3.28Å; C23-F63 HydrophobicContact CB-CD2 3.64Å; C23-F63 HydrophobicContact CB-CE2 3.42Å; C23-F63 VanDerWaalsContact CB-CE2 3.42Å; C23-W65 PolarHBondContact O-NE1 3.08Å; C23-Y121 WeakPolarHBondContact SG-CD1 3.1Å; C23-Y121 WeakPolarHBondContact SG-CE1 3.39Å
24F86.8Confident80.2Confident116 Ų11676 Ų7651%0.50939%0.392SS..EExtended strand (participates in β ladder)trans-81.4134.7-179.1-68-93.3000111.1L22 V32 L46 W65 Y121L22-F24 HydrophobicContact CB-CE2 4.4Å; F24-V32 HydrophobicContact CD1-CG2 3.35Å; F24-V32 HydrophobicContact CE1-CG2 3.5Å; F24-V32 VanDerWaalsContact CE1-CG2 3.5Å; F24-V32 HydrophobicContact CG-CG2 4.13Å; F24-V32 HydrophobicContact CZ-CG2 4.37Å; F24-L46 HydrophobicContact CE1-CD1 4.06Å; F24-W65 VanDerWaalsContact O-CD1 3.22Å; F24-Y121 PolarHBondContact O-OH 3.44Å
25A85Confident81.3Confident14 Ų1473.4 Ų73.412%0.11638%0.379CS..PPolyproline II helixtrans-72.3146.7176.200000112.1S29 L31 W65 L85A25-S29 WeakPolarHBondContact CB-OG 3.4Å; A25-L31 HydrophobicContact CB-CB 3.82Å; A25-L31 VanDerWaalsContact CB-O 3.3Å; A25-L31 WeakPolarHBondContact CB-O 3.46Å; A25-L31 PolarHBondContact N-O 3.28Å; A25-W65 HydrophobicContact CB-CD2 3.63Å; A25-W65 HydrophobicContact CB-CE3 3.89Å; A25-W65 HydrophobicContact CB-CG 4.11Å; A25-W65 HydrophobicContact CB-CH2 4Å; A25-W65 HydrophobicContact CB-CZ2 3.8Å; A25-W65 HydrophobicContact CB-CZ3 4.04Å; A25-L85 HydrophobicContact CB-CD2 4.01Å
26P77.7Confident82.3Confident11 Ų1166.8 Ų66.87%0.07134%0.344CS..SBendtrans-67.4169.8173.429.2-36.2000112.6N28 S29 W65 L85 P124P26-N28 PolarHBondContact O-N 3.49Å; P26-S29 PolarHBondContact O-OG 2.89Å; P26-S29 VanDerWaalsContact O-OG 3.05Å; P26-W65 VanDerWaalsContact CD-CB 3.46Å; P26-W65 HydrophobicContact CG-CB 4.29Å; P26-L85 HydrophobicContact CG-CD1 3.84Å; P26-P124 HydrophobicContact CB-CG 3.85Å
27G71.2Confident82.7Confident67 Ų6758.7 Ų58.769%0.69132%0.319SS*.THydrogen-bonded Turntrans74.124.6167.600000116S29G27-S29 PolarHBondContact O-N 3.21Å
28N68.1Low83.3Confident105 Ų10558.5 Ų58.556%0.56132%0.322SS*.THydrogen-bonded Turntrans55.435.1-179.6-153.328000113.1P26 Y30P26-N28 PolarHBondContact O-N 3.49Å; N28-Y30 VanDerWaalsContact C-N 3.26Å; N28-Y30 VanDerWaalsContact O-CD2 3.25Å; N28-Y30 WeakPolarHBondContact O-CD2 3.42Å; N28-Y30 WeakPolarHBondContact O-CE2 3.35Å; N28-Y30 PolarHBondContact O-N 3.47Å
29S72.5Confident83.7Confident39 Ų3953.8 Ų53.827%0.27330%0.299SS..  trans-78.2-5.7-174.755.10000114.3A25 P26 G27 L31A25-S29 WeakPolarHBondContact CB-OG 3.4Å; P26-S29 PolarHBondContact O-OG 2.89Å; P26-S29 VanDerWaalsContact O-OG 3.05Å; G27-S29 PolarHBondContact O-N 3.21Å; S29-L31 PolarHBondContact O-N 3.13Å; S29-L31 VanDerWaalsContact O-N 3.1Å
30Y83.3Confident84.2Confident112 Ų11253 Ų5344%0.43928%0.275SS..  trans5716.3-174.2-57.5-86.6000114.2N28 L46 R47N28-Y30 VanDerWaalsContact C-N 3.26Å; N28-Y30 VanDerWaalsContact O-CD2 3.25Å; N28-Y30 WeakPolarHBondContact O-CD2 3.42Å; N28-Y30 WeakPolarHBondContact O-CE2 3.35Å; N28-Y30 PolarHBondContact O-N 3.47Å; Y30-L46 WeakPolarHBondContact O-CB 3.26Å; Y30-L46 WeakPolarHBondContact O-CG 3.39Å; Y30-L46 PolarHBondContact O-N 2.63Å; Y30-R47 HydrophobicContact CG-CB 4.2Å
31L89.5Confident84.7Confident25 Ų2544.6 Ų44.613%0.13124%0.244CC..EExtended strand (participates in β ladder)trans-95.1137.2179.1-67173.4000111.2A25 S29 W44 D45 I52 W65 L85 V102A25-L31 HydrophobicContact CB-CB 3.82Å; A25-L31 VanDerWaalsContact CB-O 3.3Å; A25-L31 WeakPolarHBondContact CB-O 3.46Å; A25-L31 PolarHBondContact N-O 3.28Å; S29-L31 PolarHBondContact O-N 3.13Å; S29-L31 VanDerWaalsContact O-N 3.1Å; L31-W44 WeakPolarHBondContact CA-O 3.34Å; L31-D45 HydrophobicContact CD2-CB 4.33Å; L31-I52 HydrophobicContact CD2-CD1 3.58Å; L31-W65 HydrophobicContact CB-CH2 4.01Å; L31-W65 HydrophobicContact CB-CZ2 4.34Å; L31-L85 HydrophobicContact CD1-CD2 3.76Å; L31-V102 HydrophobicContact CD1-CG1 4.39Å
32V89.4Confident84.9Confident6 Ų641.4 Ų41.44%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-133.5128.9177.6177.60000109.7L22 F24 W44 L46L22-V32 HydrophobicContact CD2-CG1 4.11Å; F24-V32 HydrophobicContact CD1-CG2 3.35Å; F24-V32 HydrophobicContact CE1-CG2 3.5Å; F24-V32 VanDerWaalsContact CE1-CG2 3.5Å; F24-V32 HydrophobicContact CG-CG2 4.13Å; F24-V32 HydrophobicContact CZ-CG2 4.37Å; V32-W44 PolarHBondContact N-O 2.91Å; V32-W44 PolarHBondContact O-N 3Å; V32-L46 HydrophobicContact CB-CD2 4.5Å; V32-L46 HydrophobicContact CB-CG 4.44Å; V32-L46 HydrophobicContact CG2-CD1 3.38Å; V32-L46 HydrophobicContact CG2-CD2 4.14Å; V32-L46 HydrophobicContact CG2-CG 3.73Å
33A91Very high85.2Confident0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans-92.9133.9165.400000108.4C23 I41 T42 F63 W65 L87C23-A33 HydrophobicContact CB-CB 4.41Å; C23-A33 PolarHBondContact N-O 3.47Å; C23-A33 PolarHBondContact O-N 3.28Å; A33-I41 HydrophobicContact CB-CG2 4.44Å; A33-T42 CarbonylContact C-O 3.56Å; A33-T42 WeakPolarHBondContact CA-O 3.46Å; A33-F63 HydrophobicContact CB-CD2 3.62Å; A33-F63 HydrophobicContact CB-CE2 3.63Å; A33-F63 WeakPolarHBondContact O-CE2 3.44Å; A33-W65 HydrophobicContact CB-CZ2 3.93Å; A33-L87 HydrophobicContact CB-CD1 3.89Å; A33-L87 HydrophobicContact CB-CD2 4.23Å
34A90Very high85.2Confident10 Ų1038.9 Ų38.98%0.08321%0.212CC..EExtended strand (participates in β ladder)trans-134.8132.1-177.200000110.3Q21 L22 I41 T42Q21-A34 CarbonylContact O-C 3.59Å; Q21-A34 VanDerWaalsContact O-CA 3.27Å; Q21-A34 WeakPolarHBondContact O-CA 3.44Å; L22-A34 HydrophobicContact CD2-CB 3.45Å; L22-A34 VanDerWaalsContact CD2-CB 3.45Å; A34-I41 CarbonylContact O-C 3.58Å; A34-I41 WeakPolarHBondContact O-CA 3.39Å; A34-T42 PolarHBondContact N-O 3.36Å; A34-T42 PolarHBondContact O-N 3.25Å; A34-T42 PolarHBondContact O-OG1 3Å
35S90.1Very high85.3Confident14 Ų1434.6 Ų34.610%0.09819%0.194CC..EExtended strand (participates in β ladder)trans-98.9145.5170.362.20000111.8G19 R20 Q21 R40G19-S35 CarbonylContact C-O 3.19Å; G19-S35 WeakPolarHBondContact CA-O 3.43Å; R20-S35 PolarHBondContact N-O 3.42Å; Q21-S35 WeakPolarHBondContact CB-OG 3.49Å; Q21-S35 PolarHBondContact N-OG 3.31Å; Q21-S35 PolarHBondContact O-N 2.99Å; S35-R40 VanDerWaalsContact CA-O 3.22Å; S35-R40 WeakPolarHBondContact CA-O 3.48Å
36D86.5Confident85.2Confident14 Ų1437.2 Ų37.28%0.07521%0.206CC..EExtended strand (participates in β ladder)trans-111173179.167.218.2000113.9N18 F38 G39 R40N18-D36 CarbonylContact O-C 3.45Å; N18-D36 WeakPolarHBondContact O-CA 3.46Å; D36-F38 PolarHBondContact O-N 3.49Å; D36-F38 WeakPolarHBondContact OD1-CA 3.33Å; D36-F38 PolarHBondContact OD1-N 3.35Å; D36-G39 PolarHBondContact O-N 3.25Å; D36-G39 VanDerWaalsContact O-N 3.16Å; D36-G39 PolarHBondContact OD1-N 3Å; D36-G39 VanDerWaalsContact OD1-N 3.1Å; D36-R40 PolarHBondContact N-O 3.34Å; D36-R40 VanDerWaalsContact N-O 3.08Å; D36-R40 PolarHBondContact OD1-N 2.89Å; D36-R40 IonicContact OD1-NE 3.38Å; D36-R40 IonicContact OD2-CZ 3.38Å; D36-R40 IonicContact OD2-NE 2.7Å; D36-R40 PolarHBondContact OD2-NE 3.44Å; D36-R40 IonicContact OD2-NH2 3.86Å; D36-R40 PolarHBondContact OD2-NH2 3.37Å
37S83.2Confident85.5Confident39 Ų3946.2 Ų46.227%0.27324%0.239SC..THydrogen-bonded Turntrans-62.8-15.4175.455.90000114.1N18N18-S37 PolarHBondContact N-OG 3.14Å; N18-S37 PolarHBondContact O-N 3.43Å
38F85.4Confident86Confident105 Ų10552 Ų5246%0.46124%0.24SC..THydrogen-bonded Turntrans-89.90.6176.8-66.9-42.3000113.6R17 D36 R40R17-F38 HydrophobicContact CG-CD2 3.6Å; R17-F38 HydrophobicContact CG-CE2 3.3Å; R17-F38 HydrophobicContact CG-CZ 4.27Å; D36-F38 PolarHBondContact O-N 3.49Å; D36-F38 WeakPolarHBondContact OD1-CA 3.33Å; D36-F38 PolarHBondContact OD1-N 3.35Å; F38-R40 HydrophobicContact CB-CG 4.49Å
39G85.5Confident86.5Confident11 Ų1152.6 Ų52.611%0.11324%0.237CC..SBendtrans73.838.2179.400000112.7D36 Y58 R59D36-G39 PolarHBondContact O-N 3.25Å; D36-G39 VanDerWaalsContact O-N 3.16Å; D36-G39 PolarHBondContact OD1-N 3Å; D36-G39 VanDerWaalsContact OD1-N 3.1Å; G39-Y58 CarbonylContact O-C 3.48Å; G39-Y58 PolarHBondContact O-N 3.49Å; G39-R59 PolarHBondContact O-N 3.17Å
40R89.6Confident86.9Confident48 Ų4855.7 Ų55.718%0.18125%0.25CS..  trans-113.9150.7172.7-54.4177.5-62.817711.7109R17 S35 D36 F38 V54 W55R17-R40 VanDerWaalsContact NE-NH2 3.11Å; S35-R40 VanDerWaalsContact CA-O 3.22Å; S35-R40 WeakPolarHBondContact CA-O 3.48Å; D36-R40 PolarHBondContact N-O 3.34Å; D36-R40 VanDerWaalsContact N-O 3.08Å; D36-R40 PolarHBondContact OD1-N 2.89Å; D36-R40 IonicContact OD1-NE 3.38Å; D36-R40 IonicContact OD2-CZ 3.38Å; D36-R40 IonicContact OD2-NE 2.7Å; D36-R40 PolarHBondContact OD2-NE 3.44Å; D36-R40 IonicContact OD2-NH2 3.86Å; D36-R40 PolarHBondContact OD2-NH2 3.37Å; F38-R40 HydrophobicContact CB-CG 4.49Å; R40-V54 HydrophobicContact CB-CG1 4.16Å; R40-W55 WeakPolarHBondContact CA-O 3.44Å
41I92.9Very high87Confident1 Ų152.8 Ų52.81%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-105.8131167.8-58.4167.7000106.8A33 A34 V54 W55 Y58 A61 F63 I89A33-I41 HydrophobicContact CB-CG2 4.44Å; A34-I41 CarbonylContact O-C 3.58Å; A34-I41 WeakPolarHBondContact O-CA 3.39Å; I41-V54 CarbonylContact O-C 3.52Å; I41-V54 WeakPolarHBondContact O-CA 3.29Å; I41-W55 HydrophobicContact CB-CB 4.28Å; I41-W55 HydrophobicContact CB-CE3 4.05Å; I41-W55 HydrophobicContact CG2-CE3 3.81Å; I41-W55 HydrophobicContact CG2-CZ3 4.19Å; I41-W55 PolarHBondContact N-O 3.39Å; I41-W55 PolarHBondContact O-N 3.21Å; I41-Y58 HydrophobicContact CD1-CD1 4.39Å; I41-Y58 HydrophobicContact CD1-CG 4.22Å; I41-A61 HydrophobicContact CD1-CB 4Å; I41-F63 HydrophobicContact CD1-CB 4.42Å; I41-F63 HydrophobicContact CD1-CD1 3.65Å; I41-F63 HydrophobicContact CD1-CE1 4.31Å; I41-F63 HydrophobicContact CD1-CG 4.22Å; I41-F63 HydrophobicContact CG1-CD1 3.97Å; I41-F63 HydrophobicContact CG1-CE1 4.12Å; I41-F63 HydrophobicContact CG2-CD1 4.38Å; I41-F63 HydrophobicContact CG2-CG 4.45Å; I41-I89 HydrophobicContact CD1-CD1 4.12Å; I41-I89 HydrophobicContact CD1-CG1 4.26Å; I41-I89 HydrophobicContact CD1-CG2 3.52Å
42T90.8Very high86.9Confident15 Ų1554.3 Ų54.39%0.09225%0.253CS..EExtended strand (participates in β ladder)trans-118.7135.5-178.4570000108.8A33 A34 W44 Y53 V54A33-T42 CarbonylContact C-O 3.56Å; A33-T42 WeakPolarHBondContact CA-O 3.46Å; A34-T42 PolarHBondContact N-O 3.36Å; A34-T42 PolarHBondContact O-N 3.25Å; A34-T42 PolarHBondContact O-OG1 3Å; T42-W44 PolarHBondContact OG1-NE1 2.72Å; T42-Y53 CarbonylContact C-O 3.47Å; T42-Y53 WeakPolarHBondContact CA-O 2.85Å; T42-V54 HydrophobicContact CG2-CG1 4.12Å; T42-V54 HydrophobicContact CG2-CG2 4.02Å
43L92.3Very high87Confident0 Ų058 Ų580%027%0.267CS..EExtended strand (participates in β ladder)trans-103127.1175.817768.8000109C51 I52 Y53 W55 W65 V102 Y105L43-C51 CarbonylContact O-C 3.5Å; L43-C51 WeakPolarHBondContact O-CA 3.42Å; L43-I52 HydrophobicContact CD2-CB 4.19Å; L43-I52 HydrophobicContact CD2-CD1 4.07Å; L43-I52 HydrophobicContact CG-CB 4.38Å; L43-I52 HydrophobicContact CG-CD1 4.07Å; L43-I52 HydrophobicContact CG-CG1 4.46Å; L43-I52 PolarHBondContact O-N 3.21Å; L43-Y53 PolarHBondContact N-O 2.83Å; L43-Y53 PolarHBondContact O-N 2.88Å; L43-W55 HydrophobicContact CB-CH2 4.06Å; L43-W55 HydrophobicContact CB-CZ3 3.76Å; L43-W55 HydrophobicContact CD2-CH2 4.32Å; L43-W65 HydrophobicContact CD1-CH2 3.6Å; L43-W65 HydrophobicContact CD1-CZ2 4.03Å; L43-V102 HydrophobicContact CD1-CG1 4.01Å; L43-V102 HydrophobicContact CD2-CG1 3.32Å; L43-V102 HydrophobicContact CG-CG1 4.3Å; L43-Y105 HydrophobicContact CD2-CE1 4.07Å
44W89.3Confident87Confident65 Ų6560.5 Ų60.525%0.24628%0.283CS..EExtended strand (participates in β ladder)trans-119.3137.7-177-68.384.9000111.4F12 L31 V32 T42 L50 C51F12-W44 HydrophobicContact CD1-CH2 4.13Å; F12-W44 HydrophobicContact CD1-CZ3 4.15Å; F12-W44 AromaticContact CE1-CE3 3.93Å; F12-W44 HydrophobicContact CE1-CE3 3.93Å; F12-W44 AromaticContact CE1-CH2 3.72Å; F12-W44 HydrophobicContact CE1-CH2 3.72Å; F12-W44 AromaticContact CE1-CZ3 3.3Å; F12-W44 HydrophobicContact CE1-CZ3 3.3Å; F12-W44 HydrophobicContact CZ-CE3 4.05Å; F12-W44 AromaticContact CZ-CZ3 3.86Å; F12-W44 HydrophobicContact CZ-CZ3 3.86Å; L31-W44 WeakPolarHBondContact CA-O 3.34Å; V32-W44 PolarHBondContact N-O 2.91Å; V32-W44 PolarHBondContact O-N 3Å; T42-W44 PolarHBondContact OG1-NE1 2.72Å; W44-L50 WeakPolarHBondContact CA-O 3.4Å; W44-L50 VanDerWaalsContact CE3-C 3.4Å; W44-C51 HydrophobicContact CD2-CB 3.9Å; W44-C51 HydrophobicContact CE3-CB 3.88Å; W44-C51 VanDerWaalsContact CE3-N 3.28Å; W44-C51 HydrophobicContact CH2-CB 3.7Å; W44-C51 HydrophobicContact CZ2-CB 3.71Å; W44-C51 HydrophobicContact CZ3-CB 3.76Å
45D88Confident87.1Confident25 Ų2560.4 Ų60.413%0.13428%0.28CS..EExtended strand (participates in β ladder)trans-96.4106.5162.7-175.8-25.6000107.7L31 R47 R48 K49 L50 I52L31-D45 HydrophobicContact CD2-CB 4.33Å; D45-R47 VanDerWaalsContact C-N 3.26Å; D45-R47 PolarHBondContact O-N 3.42Å; D45-R47 WeakPolarHBondContact OD1-CA 3.41Å; D45-R47 VanDerWaalsContact OD1-CB 3.25Å; D45-R47 WeakPolarHBondContact OD1-CB 3.32Å; D45-R47 PolarHBondContact OD1-N 3.3Å; D45-R48 HydrophobicContact CB-CB 4.19Å; D45-R48 PolarHBondContact O-N 3.29Å; D45-R48 PolarHBondContact OD1-N 3.08Å; D45-R48 WeakPolarHBondContact OD2-CD 3.49Å; D45-R48 WeakPolarHBondContact OD2-CG 3.4Å; D45-R48 IonicContact OD2-NE 3.85Å; D45-K49 VanDerWaalsContact O-CA 3.29Å; D45-K49 WeakPolarHBondContact O-CA 3.45Å; D45-K49 PolarHBondContact O-N 3.43Å; D45-L50 PolarHBondContact N-O 3.14Å; D45-L50 PolarHBondContact O-N 3.44Å; D45-L50 VanDerWaalsContact O-N 3.13Å; D45-I52 HydrophobicContact CB-CD1 3.59Å; D45-I52 HydrophobicContact CB-CG1 3.86Å
46L83.4Confident87Confident70 Ų7067.6 Ų67.637%0.36631%0.31SS..THydrogen-bonded Turntrans-69.7-24.9180-61.2-177000112.6F24 Y30 V32F24-L46 HydrophobicContact CE1-CD1 4.06Å; Y30-L46 WeakPolarHBondContact O-CB 3.26Å; Y30-L46 WeakPolarHBondContact O-CG 3.39Å; Y30-L46 PolarHBondContact O-N 2.63Å; V32-L46 HydrophobicContact CB-CD2 4.5Å; V32-L46 HydrophobicContact CB-CG 4.44Å; V32-L46 HydrophobicContact CG2-CD1 3.38Å; V32-L46 HydrophobicContact CG2-CD2 4.14Å; V32-L46 HydrophobicContact CG2-CG 3.73Å
47R83.5Confident87Confident199 Ų19970.1 Ų70.175%0.75134%0.339SS*.THydrogen-bonded Turntrans-72.2-39.9177.5-170.9176.3-176.5169.51.9110.7Y30 D45Y30-R47 HydrophobicContact CG-CB 4.2Å; D45-R47 VanDerWaalsContact C-N 3.26Å; D45-R47 PolarHBondContact O-N 3.42Å; D45-R47 WeakPolarHBondContact OD1-CA 3.41Å; D45-R47 VanDerWaalsContact OD1-CB 3.25Å; D45-R47 WeakPolarHBondContact OD1-CB 3.32Å; D45-R47 PolarHBondContact OD1-N 3.3Å
48R80.9Confident87.3Confident190 Ų19069.7 Ų69.772%0.71733%0.331SS*.THydrogen-bonded Turntrans-89.6-10.6176.5-63.5-178.3176.4-178.2-1.9113.6D45 L50D45-R48 HydrophobicContact CB-CB 4.19Å; D45-R48 PolarHBondContact O-N 3.29Å; D45-R48 PolarHBondContact OD1-N 3.08Å; D45-R48 WeakPolarHBondContact OD2-CD 3.49Å; D45-R48 WeakPolarHBondContact OD2-CG 3.4Å; D45-R48 IonicContact OD2-NE 3.85Å; R48-L50 VanDerWaalsContact C-N 3.28Å; R48-L50 HydrophobicContact CB-CB 4.38Å; R48-L50 HydrophobicContact CB-CD1 4.08Å; R48-L50 HydrophobicContact CB-CG 4.27Å; R48-L50 PolarHBondContact O-N 2.88Å
49K79.3Confident87.3Confident117 Ų11771.6 Ų71.651%0.50934%0.336SS..THydrogen-bonded Turntrans55.339.5-172.5-56.7-179.6178.8-175.60112.8I11 D45I11-K49 HydrophobicContact CD1-CD 4.4Å; I11-K49 HydrophobicContact CG2-CD 4.12Å; D45-K49 VanDerWaalsContact O-CA 3.29Å; D45-K49 WeakPolarHBondContact O-CA 3.45Å; D45-K49 PolarHBondContact O-N 3.43Å
50L82Confident87.3Confident104 Ų10475.1 Ų75.155%0.54535%0.352SS..EExtended strand (participates in β ladder)trans-123.6139.5-174.9-73172.2000112.4W44 D45 R48 I52W44-L50 WeakPolarHBondContact CA-O 3.4Å; W44-L50 VanDerWaalsContact CE3-C 3.4Å; D45-L50 PolarHBondContact N-O 3.14Å; D45-L50 PolarHBondContact O-N 3.44Å; D45-L50 VanDerWaalsContact O-N 3.13Å; R48-L50 VanDerWaalsContact C-N 3.28Å; R48-L50 HydrophobicContact CB-CB 4.38Å; R48-L50 HydrophobicContact CB-CD1 4.08Å; R48-L50 HydrophobicContact CB-CG 4.27Å; R48-L50 PolarHBondContact O-N 2.88Å; L50-I52 PolarHBondContact O-N 2.91Å
51C85.1Confident87.4Confident51 Ų5173.2 Ų73.235%0.34535%0.347SS..EExtended strand (participates in β ladder)trans-77.8110.8164.4-175.80000108.5L43 W44L43-C51 CarbonylContact O-C 3.5Å; L43-C51 WeakPolarHBondContact O-CA 3.42Å; W44-C51 HydrophobicContact CD2-CB 3.9Å; W44-C51 HydrophobicContact CE3-CB 3.88Å; W44-C51 VanDerWaalsContact CE3-N 3.28Å; W44-C51 HydrophobicContact CH2-CB 3.7Å; W44-C51 HydrophobicContact CZ2-CB 3.71Å; W44-C51 HydrophobicContact CZ3-CB 3.76Å
52I87.6Confident87.4Confident57 Ų5775.2 Ų75.229%0.29236%0.356SS..EExtended strand (participates in β ladder)trans-84.3-36.3-173.9-36.9173.3000111.1L31 L43 D45 L50 Y105L31-I52 HydrophobicContact CD2-CD1 3.58Å; L43-I52 HydrophobicContact CD2-CB 4.19Å; L43-I52 HydrophobicContact CD2-CD1 4.07Å; L43-I52 HydrophobicContact CG-CB 4.38Å; L43-I52 HydrophobicContact CG-CD1 4.07Å; L43-I52 HydrophobicContact CG-CG1 4.46Å; L43-I52 PolarHBondContact O-N 3.21Å; D45-I52 HydrophobicContact CB-CD1 3.59Å; D45-I52 HydrophobicContact CB-CG1 3.86Å; L50-I52 PolarHBondContact O-N 2.91Å; I52-Y105 HydrophobicContact CG2-CE1 3.93Å; I52-Y105 WeakPolarHBondContact CG2-OH 3.41Å
53Y90.9Very high87.5Confident82 Ų8274.7 Ų74.732%0.32235%0.352SS..EExtended strand (participates in β ladder)trans-154149.4-174.2-158.5-99.9000112.5T42 L43 W55 Y105T42-Y53 CarbonylContact C-O 3.47Å; T42-Y53 WeakPolarHBondContact CA-O 2.85Å; L43-Y53 PolarHBondContact N-O 2.83Å; L43-Y53 PolarHBondContact O-N 2.88Å; Y53-W55 AromaticContact CD1-CD2 3.74Å; Y53-W55 HydrophobicContact CD1-CD2 3.74Å; Y53-W55 AromaticContact CD1-CE2 3.52Å; Y53-W55 HydrophobicContact CD1-CE3 4.08Å; Y53-W55 HydrophobicContact CD1-CG 4.29Å; Y53-W55 HydrophobicContact CD1-CH2 4.02Å; Y53-W55 AromaticContact CD1-CZ2 3.66Å; Y53-W55 HydrophobicContact CD1-CZ2 3.66Å; Y53-W55 HydrophobicContact CD1-CZ3 4.23Å; Y53-W55 AromaticContact CD1-NE1 3.96Å; Y53-W55 AromaticContact CE1-CD1 3.89Å; Y53-W55 HydrophobicContact CE1-CD2 4.01Å; Y53-W55 AromaticContact CE1-CE2 3.65Å; Y53-W55 HydrophobicContact CE1-CG 4.15Å; Y53-W55 HydrophobicContact CE1-CZ2 4.12Å; Y53-W55 AromaticContact CE1-NE1 3.57Å; Y53-Y105 AromaticContact CD2-CD1 3.65Å; Y53-Y105 HydrophobicContact CD2-CD1 3.65Å; Y53-Y105 HydrophobicContact CD2-CE1 4.31Å; Y53-Y105 AromaticContact CD2-CG 3.85Å; Y53-Y105 HydrophobicContact CD2-CG 3.85Å; Y53-Y105 HydrophobicContact CE2-CD1 4.34Å; Y53-Y105 HydrophobicContact CE2-CG 4.14Å; Y53-Y105 AromaticContact CG-CD1 3.74Å; Y53-Y105 HydrophobicContact CG-CD1 3.74Å; Y53-Y105 HydrophobicContact CG-CE1 4.36Å; Y53-Y105 HydrophobicContact CG-CG 4.36Å
54V91Very high87.5Confident54 Ų5474.7 Ų74.733%0.32735%0.352SS..EExtended strand (participates in β ladder)trans-133.1117.7179.5-176.50000110.5R40 I41 T42 K56R40-V54 HydrophobicContact CB-CG1 4.16Å; I41-V54 CarbonylContact O-C 3.52Å; I41-V54 WeakPolarHBondContact O-CA 3.29Å; T42-V54 HydrophobicContact CG2-CG1 4.12Å; T42-V54 HydrophobicContact CG2-CG2 4.02Å; V54-K56 HydrophobicContact CG1-CG 4.34Å
55W91.8Very high87.5Confident7 Ų771.6 Ų71.63%0.02734%0.34CS..EExtended strand (participates in β ladder)trans-88.1113.7168.4-65.3-88.5000110R40 I41 L43 Y53 Y58 L87 I89 W100R40-W55 WeakPolarHBondContact CA-O 3.44Å; I41-W55 HydrophobicContact CB-CB 4.28Å; I41-W55 HydrophobicContact CB-CE3 4.05Å; I41-W55 HydrophobicContact CG2-CE3 3.81Å; I41-W55 HydrophobicContact CG2-CZ3 4.19Å; I41-W55 PolarHBondContact N-O 3.39Å; I41-W55 PolarHBondContact O-N 3.21Å; L43-W55 HydrophobicContact CB-CH2 4.06Å; L43-W55 HydrophobicContact CB-CZ3 3.76Å; L43-W55 HydrophobicContact CD2-CH2 4.32Å; Y53-W55 AromaticContact CD1-CD2 3.74Å; Y53-W55 HydrophobicContact CD1-CD2 3.74Å; Y53-W55 AromaticContact CD1-CE2 3.52Å; Y53-W55 HydrophobicContact CD1-CE3 4.08Å; Y53-W55 HydrophobicContact CD1-CG 4.29Å; Y53-W55 HydrophobicContact CD1-CH2 4.02Å; Y53-W55 AromaticContact CD1-CZ2 3.66Å; Y53-W55 HydrophobicContact CD1-CZ2 3.66Å; Y53-W55 HydrophobicContact CD1-CZ3 4.23Å; Y53-W55 AromaticContact CD1-NE1 3.96Å; Y53-W55 AromaticContact CE1-CD1 3.89Å; Y53-W55 HydrophobicContact CE1-CD2 4.01Å; Y53-W55 AromaticContact CE1-CE2 3.65Å; Y53-W55 HydrophobicContact CE1-CG 4.15Å; Y53-W55 HydrophobicContact CE1-CZ2 4.12Å; Y53-W55 AromaticContact CE1-NE1 3.57Å; W55-Y58 HydrophobicContact CB-CD2 3.58Å; W55-Y58 HydrophobicContact CB-CE2 3.62Å; W55-Y58 HydrophobicContact CB-CG 4.45Å; W55-Y58 HydrophobicContact CG-CE2 4.27Å; W55-L87 HydrophobicContact CE3-CD2 4.33Å; W55-L87 HydrophobicContact CH2-CD2 3.49Å; W55-L87 VanDerWaalsContact CH2-CD2 3.49Å; W55-L87 HydrophobicContact CZ2-CD2 4.13Å; W55-L87 HydrophobicContact CZ3-CD2 3.59Å; W55-I89 HydrophobicContact CD2-CD1 4.02Å; W55-I89 HydrophobicContact CE3-CD1 4.47Å; W55-I89 HydrophobicContact CG-CD1 4.15Å; W55-W100 AromaticContact CD1-CE2 3.93Å; W55-W100 AromaticContact CD1-CZ2 3.81Å; W55-W100 HydrophobicContact CZ2-CB 4.4Å; W55-W100 HydrophobicContact CZ2-CD2 4.47Å; W55-W100 HydrophobicContact CZ2-CE3 4.47Å; W55-W100 HydrophobicContact CZ2-CG 4.45Å; W55-W100 AromaticContact NE1-CD2 3.38Å; W55-W100 AromaticContact NE1-CE2 3.46Å; W55-W100 AromaticContact NE1-CE3 3.49Å; W55-W100 AromaticContact NE1-CG 3.97Å; W55-W100 AromaticContact NE1-CH2 3.77Å; W55-W100 AromaticContact NE1-CZ2 3.65Å; W55-W100 AromaticContact NE1-CZ3 3.69Å
56K89.1Confident87.5Confident166 Ų16671.4 Ų71.472%0.72234%0.34SS*.  trans-89.2144.9179.2-63.2178.9-178.3175.80111.1V54 Y58V54-K56 HydrophobicContact CG1-CG 4.34Å; K56-Y58 WeakPolarHBondContact O-CD2 3.44Å
57G85.4Confident87.5Confident67 Ų6772.6 Ų72.669%0.69134%0.343SS*.SBendtrans85.515.4172.600000115.5R59G57-R59 VanDerWaalsContact C-N 3.34Å; G57-R59 PolarHBondContact O-N 3.04Å
58Y89.7Confident87.3Confident29 Ų2964 Ų6411%0.11431%0.312CS..  trans-96.954.5-179.6-73.8-93.5000110.9G39 I41 W55 K56 D60 A61 I89 A91 Q98G39-Y58 CarbonylContact O-C 3.48Å; G39-Y58 PolarHBondContact O-N 3.49Å; I41-Y58 HydrophobicContact CD1-CD1 4.39Å; I41-Y58 HydrophobicContact CD1-CG 4.22Å; W55-Y58 HydrophobicContact CB-CD2 3.58Å; W55-Y58 HydrophobicContact CB-CE2 3.62Å; W55-Y58 HydrophobicContact CB-CG 4.45Å; W55-Y58 HydrophobicContact CG-CE2 4.27Å; K56-Y58 WeakPolarHBondContact O-CD2 3.44Å; Y58-D60 PolarHBondContact O-N 3.48Å; Y58-A61 HydrophobicContact CD1-CB 4.11Å; Y58-A61 HydrophobicContact CG-CB 4.4Å; Y58-A61 VanDerWaalsContact O-CB 3.3Å; Y58-A61 WeakPolarHBondContact O-CB 3.28Å; Y58-A61 PolarHBondContact O-N 3.41Å; Y58-I89 HydrophobicContact CD1-CG2 3.44Å; Y58-I89 VanDerWaalsContact CD1-CG2 3.44Å; Y58-I89 HydrophobicContact CE1-CB 4.47Å; Y58-I89 HydrophobicContact CE1-CG2 3.63Å; Y58-I89 HydrophobicContact CG-CG2 4.39Å; Y58-A91 HydrophobicContact CD1-CB 4.14Å; Y58-A91 HydrophobicContact CE1-CB 4.35Å; Y58-Q98 PolarHBondContact OH-NE2 2.88Å; Y58-Q98 PolarHBondContact OH-OE1 3.43Å
59R84.7Confident86.9Confident146 Ų14657.1 Ų57.155%0.55130%0.297SS*.THydrogen-bonded Turntrans-63.8135.6174-76.1-178.6-170.7139.6-0.1109.9G39 G57 A61G39-R59 PolarHBondContact O-N 3.17Å; G57-R59 VanDerWaalsContact C-N 3.34Å; G57-R59 PolarHBondContact O-N 3.04Å; R59-A61 PolarHBondContact O-N 2.99Å; R59-A61 VanDerWaalsContact O-N 3.08Å
60D85.6Confident86.1Confident84 Ų8455 Ų5545%0.44929%0.291SS..THydrogen-bonded Turntrans58.817179.4-40.4-46.7000113.4Y58 P92 R93Y58-D60 PolarHBondContact O-N 3.48Å; D60-P92 WeakPolarHBondContact O-CD 3.39Å; D60-P92 WeakPolarHBondContact O-CG 3.36Å; D60-R93 IonicContact OD2-CZ 2.74Å; D60-R93 IonicContact OD2-NE 3.34Å; D60-R93 PolarHBondContact OD2-NE 2.87Å; D60-R93 IonicContact OD2-NH2 2.85Å; D60-R93 PolarHBondContact OD2-NH2 2.9Å
61A91.4Very high85Confident9 Ų959.4 Ų59.47%0.07431%0.305CS..  trans-74.5143.8179.400000111.1I41 Y58 R59 I89 F90I41-A61 HydrophobicContact CD1-CB 4Å; Y58-A61 HydrophobicContact CD1-CB 4.11Å; Y58-A61 HydrophobicContact CG-CB 4.4Å; Y58-A61 VanDerWaalsContact O-CB 3.3Å; Y58-A61 WeakPolarHBondContact O-CB 3.28Å; Y58-A61 PolarHBondContact O-N 3.41Å; R59-A61 PolarHBondContact O-N 2.99Å; R59-A61 VanDerWaalsContact O-N 3.08Å; A61-I89 HydrophobicContact CB-CG2 4.18Å; A61-F90 CarbonylContact C-O 3.53Å; A61-F90 WeakPolarHBondContact CA-O 3.28Å; A61-F90 VanDerWaalsContact CB-O 3.3Å; A61-F90 WeakPolarHBondContact CB-O 3.12Å
62Q93.3Very high83.3Confident43 Ų4363.9 Ų63.920%0.20133%0.326CS..EExtended strand (participates in β ladder)trans-108.4146.4174.2-62.5168.1-0.300108.4I89 F90 L119Q62-I89 CarbonylContact O-C 3.54Å; Q62-I89 WeakPolarHBondContact O-CA 3.27Å; Q62-F90 HydrophobicContact CB-CB 4.43Å; Q62-F90 HydrophobicContact CB-CD1 4.49Å; Q62-F90 PolarHBondContact N-O 2.79Å; Q62-F90 PolarHBondContact O-N 3.41Å; Q62-L119 HydrophobicContact CB-CB 3.88Å; Q62-L119 HydrophobicContact CB-CD2 4.31Å
63F93.1Very high81.2Confident3 Ų364.8 Ų64.81%0.01333%0.33CS..EExtended strand (participates in β ladder)trans-145.9151.1-177.451.1-83.2000112.7Q21 C23 A33 I41 L87 A88 I89Q21-F63 HydrophobicContact CB-CE1 4.4Å; Q21-F63 HydrophobicContact CB-CZ 4.04Å; Q21-F63 HydrophobicContact CG-CE1 4.49Å; Q21-F63 HydrophobicContact CG-CZ 4.05Å; C23-F63 HydrophobicContact CB-CD2 3.64Å; C23-F63 HydrophobicContact CB-CE2 3.42Å; C23-F63 VanDerWaalsContact CB-CE2 3.42Å; A33-F63 HydrophobicContact CB-CD2 3.62Å; A33-F63 HydrophobicContact CB-CE2 3.63Å; A33-F63 WeakPolarHBondContact O-CE2 3.44Å; I41-F63 HydrophobicContact CD1-CB 4.42Å; I41-F63 HydrophobicContact CD1-CD1 3.65Å; I41-F63 HydrophobicContact CD1-CE1 4.31Å; I41-F63 HydrophobicContact CD1-CG 4.22Å; I41-F63 HydrophobicContact CG1-CD1 3.97Å; I41-F63 HydrophobicContact CG1-CE1 4.12Å; I41-F63 HydrophobicContact CG2-CD1 4.38Å; I41-F63 HydrophobicContact CG2-CG 4.45Å; F63-L87 HydrophobicContact CB-CD1 4.39Å; F63-L87 HydrophobicContact CD2-CD1 4.5Å; F63-A88 CarbonylContact C-O 3.59Å; F63-A88 WeakPolarHBondContact CA-O 3.44Å; F63-A88 VanDerWaalsContact CB-O 3.31Å; F63-A88 WeakPolarHBondContact CB-O 3.42Å; F63-I89 HydrophobicContact CB-CG1 4.23Å
64G91.5Very high78.9Confident0 Ų063.8 Ų63.80%035%0.345CS..EExtended strand (participates in β ladder)trans-153.3160.3-177.900000111.4A88G64-A88 PolarHBondContact N-O 2.71Å; G64-A88 PolarHBondContact O-N 2.85Å
65W90.5Very high76.6Confident0 Ų068.7 Ų68.70%037%0.369CS..EExtended strand (participates in β ladder)trans-96.6141.9-177.5-66.194.6000111.9C23 F24 A25 P26 L31 A33 L43 L85 L86 L87 V102 Y121 S138 V139C23-W65 PolarHBondContact O-NE1 3.08Å; F24-W65 VanDerWaalsContact O-CD1 3.22Å; A25-W65 HydrophobicContact CB-CD2 3.63Å; A25-W65 HydrophobicContact CB-CE3 3.89Å; A25-W65 HydrophobicContact CB-CG 4.11Å; A25-W65 HydrophobicContact CB-CH2 4Å; A25-W65 HydrophobicContact CB-CZ2 3.8Å; A25-W65 HydrophobicContact CB-CZ3 4.04Å; P26-W65 VanDerWaalsContact CD-CB 3.46Å; P26-W65 HydrophobicContact CG-CB 4.29Å; L31-W65 HydrophobicContact CB-CH2 4.01Å; L31-W65 HydrophobicContact CB-CZ2 4.34Å; A33-W65 HydrophobicContact CB-CZ2 3.93Å; L43-W65 HydrophobicContact CD1-CH2 3.6Å; L43-W65 HydrophobicContact CD1-CZ2 4.03Å; W65-L85 HydrophobicContact CE3-CD1 3.73Å; W65-L85 HydrophobicContact CE3-CD2 3.79Å; W65-L85 HydrophobicContact CE3-CG 3.61Å; W65-L85 HydrophobicContact CH2-CD2 4.36Å; W65-L85 HydrophobicContact CZ3-CD1 4.28Å; W65-L85 HydrophobicContact CZ3-CD2 3.47Å; W65-L85 VanDerWaalsContact CZ3-CD2 3.47Å; W65-L85 HydrophobicContact CZ3-CG 3.66Å; W65-L86 WeakPolarHBondContact CA-O 3.04Å; W65-L87 HydrophobicContact CD2-CD1 3.95Å; W65-L87 HydrophobicContact CE3-CD1 4.24Å; W65-L87 HydrophobicContact CG-CD1 4.45Å; W65-L87 HydrophobicContact CH2-CD1 4.46Å; W65-L87 HydrophobicContact CZ2-CD1 4.13Å; W65-L87 HydrophobicContact CZ3-CB 4.49Å; W65-V102 HydrophobicContact CE3-CG2 4.45Å; W65-V102 HydrophobicContact CH2-CG1 4.3Å; W65-V102 HydrophobicContact CH2-CG2 4.11Å; W65-V102 HydrophobicContact CZ3-CB 4.21Å; W65-V102 HydrophobicContact CZ3-CG1 4.28Å; W65-V102 HydrophobicContact CZ3-CG2 3.57Å; W65-Y121 HydrophobicContact CB-CE2 3.73Å; W65-Y121 AromaticContact CD1-CZ 3.84Å; W65-Y121 HydrophobicContact CG-CE2 4.5Å; W65-Y121 VanDerWaalsContact N-CD2 3.32Å; W65-Y121 WeakPolarHBondContact O-CE2 3.14Å; W65-S138 PolarHBondContact O-OG 2.8Å; W65-V139 WeakPolarHBondContact O-CG2 3.49Å
66L87.1Confident74.2Confident22 Ų2275 Ų7512%0.11540%0.397CS..EExtended strand (participates in β ladder)trans-127.5131.9175.2-178.475.5000109.2V68 L86 V153L66-V68 HydrophobicContact CD2-CG2 4.28Å; L66-V68 HydrophobicContact CG-CG2 4.47Å; L66-L86 HydrophobicContact CB-CB 4.28Å; L66-L86 PolarHBondContact N-O 3.49Å; L66-L86 PolarHBondContact O-N 3.45Å; L66-V153 HydrophobicContact CD2-CG2 4.17Å
67Q83.5Confident71.7Confident95 Ų9577.5 Ų77.544%0.44441%0.408SS..EExtended strand (participates in β ladder)trans-107.9124.1175.7-170.1170.3-8.200109.8A83 F84Q67-A83 HydrophobicContact CG-CB 3.79Å; Q67-F84 WeakPolarHBondContact CA-O 3.34Å
68V79.4Confident69.5Low17 Ų1778.1 Ų78.110%0.10341%0.414CS..EExtended strand (participates in β ladder)trans-110.1108177176.70000107.5L66 A83 F84 L86 V153 L155L66-V68 HydrophobicContact CD2-CG2 4.28Å; L66-V68 HydrophobicContact CG-CG2 4.47Å; V68-A83 CarbonylContact O-C 3.59Å; V68-A83 WeakPolarHBondContact O-CA 3.11Å; V68-F84 HydrophobicContact CB-CB 4.37Å; V68-F84 PolarHBondContact N-O 3.33Å; V68-F84 PolarHBondContact O-N 3.49Å; V68-L86 HydrophobicContact CB-CD1 4.05Å; V68-L86 HydrophobicContact CG2-CD1 3.56Å; V68-V153 HydrophobicContact CG2-CB 4.17Å; V68-L155 HydrophobicContact CG1-CB 4.25Å; V68-L155 HydrophobicContact CG1-CD1 4.19Å; V68-L155 HydrophobicContact CG1-CG 4.18Å
69A72.2Confident66.9Low47 Ų4782.6 Ų82.639%0.38844%0.436SS..  trans-122.1154.2177.700000110K71 A83A69-K71 PolarHBondContact O-N 3.39Å; A69-A83 HydrophobicContact CB-CB 3.98Å
70D63.9Low64.8Low72 Ų7280.8 Ų80.839%0.38545%0.446SS..  trans-76117.2174.2-166.2-13.8000109.4N72 M73 L155D70-N72 PolarHBondContact O-N 3.22Å; D70-N72 PolarHBondContact OD1-N 2.86Å; D70-N72 VanDerWaalsContact OD1-N 3.12Å; D70-M73 HydrophobicContact CB-CG 4.24Å; D70-M73 PolarHBondContact O-N 2.9Å; D70-L155 HydrophobicContact CB-CD1 3.81Å; D70-L155 VanDerWaalsContact N-CD1 3.33Å
71K57.5Low62.8Low196 Ų19679.7 Ų79.785%0.85244%0.444SS*.G310 helixtrans-64.8-25.2-179-67.4-170.9177-173.50112A69 M73A69-K71 PolarHBondContact O-N 3.39Å; K71-M73 VanDerWaalsContact C-N 3.32Å; K71-M73 PolarHBondContact O-N 2.85Å
72N50.1Low61.1Low145 Ų14586.9 Ų86.978%0.77548%0.476SS*.G310 helixtrans-78.1-16.3-175.9-67.3-15.9000113.4D70D70-N72 PolarHBondContact O-N 3.22Å; D70-N72 PolarHBondContact OD1-N 2.86Å; D70-N72 VanDerWaalsContact OD1-N 3.12Å
73M44.5Very low60.1Low76 Ų7686.1 Ų86.137%0.37448%0.477SS..G310 helixtrans-89.5-1.3-178.4-67.7-68.5-98.200113.6D70 K71 N75 K76D70-M73 HydrophobicContact CB-CG 4.24Å; D70-M73 PolarHBondContact O-N 2.9Å; K71-M73 VanDerWaalsContact C-N 3.32Å; K71-M73 PolarHBondContact O-N 2.85Å; M73-N75 PolarHBondContact O-N 3.03Å; M73-N75 VanDerWaalsContact O-N 3.1Å; M73-K76 PolarHBondContact O-N 3.19Å
74G42Very low59.6Low61 Ų6188 Ų8863%0.62949%0.485SS*.G310 helixtrans-62.8-15.6-178.200000115.7
75N41.8Very low59.4Low158 Ų15889 Ų8985%0.84549%0.491SS*.G310 helixtrans-98.3-5.7-176.1-79.6-11.4000115.2M73 K77M73-N75 PolarHBondContact O-N 3.03Å; M73-N75 VanDerWaalsContact O-N 3.1Å; N75-K77 PolarHBondContact O-N 3.12Å
76K41.3Very low59.3Low139 Ų13989 Ų8960%0.60449%0.491SS*.  trans-95.393.6178.5-70.8-169.8177.2-174.40110.8M73 G78M73-K76 PolarHBondContact O-N 3.19Å; K76-G78 PolarHBondContact O-N 3.37Å
77K38.2Very low59.6Low219 Ų21988 Ų8895%0.95249%0.485SS*.THydrogen-bonded Turntrans-56.696.6172.5-70.8179.4177.61760110.3N75N75-K77 PolarHBondContact O-N 3.12Å
78G37.4Very low60.1Low80 Ų8083.4 Ų83.483%0.82546%0.464SS*.THydrogen-bonded Turntrans140.6-22.3166.800000115.7K76K76-G78 PolarHBondContact O-N 3.37Å
79E36.8Very low60.9Low122 Ų12282.6 Ų82.657%0.5746%0.459SS*.SBendtrans-95.9122.9179.7-73.4178.1169.400110.4S81E79-S81 PolarHBondContact O-N 3.24Å
80S39.1Very low61.9Low108 Ų10880.4 Ų80.476%0.75544%0.441SS*.  trans-50.797.1174.9-11.30000110H82S80-H82 PolarHBondContact O-N 3.09Å
81S44.7Very low63.3Low61 Ų6177.2 Ų77.243%0.42742%0.424SS..  trans-53.3115.6174.3-80.50000108.2E79 A83E79-S81 PolarHBondContact O-N 3.24Å; S81-A83 PolarHBondContact O-N 3.29Å
82H54.8Low64.9Low161 Ų16169.1 Ų69.175%0.74539%0.392SS*.  trans-67.684.3-179.1-78.3-74.7000109.6S80S80-H82 PolarHBondContact O-N 3.09Å
83A72.2Confident66.7Low26 Ų2670 Ų7022%0.21538%0.384CS..  trans-86.8126.8173.100000110.1Q67 V68 A69 S81Q67-A83 HydrophobicContact CG-CB 3.79Å; V68-A83 CarbonylContact O-C 3.59Å; V68-A83 WeakPolarHBondContact O-CA 3.11Å; A69-A83 HydrophobicContact CB-CB 3.98Å; S81-A83 PolarHBondContact O-N 3.29Å
84F82.4Confident68.8Low43 Ų4371.7 Ų71.719%0.18939%0.394CS..EExtended strand (participates in β ladder)trans-86.6134.4171.1-63.7-82.8000109.7Q67 V68 L86 L101 L155 C158 L159Q67-F84 WeakPolarHBondContact CA-O 3.34Å; V68-F84 HydrophobicContact CB-CB 4.37Å; V68-F84 PolarHBondContact N-O 3.33Å; V68-F84 PolarHBondContact O-N 3.49Å; F84-L86 HydrophobicContact CB-CD1 4.16Å; F84-L101 HydrophobicContact CB-CD1 4.19Å; F84-L101 HydrophobicContact CD1-CD1 4.22Å; F84-L155 HydrophobicContact CD2-CG 4.44Å; F84-L155 HydrophobicContact CE2-CD2 4.16Å; F84-L155 HydrophobicContact CE2-CG 4.38Å; F84-C158 HydrophobicContact CB-CB 4.05Å; F84-C158 HydrophobicContact CD1-CB 3.98Å; F84-C158 HydrophobicContact CD2-CB 3.8Å; F84-C158 HydrophobicContact CE1-CB 4.44Å; F84-C158 HydrophobicContact CE2-CB 4.29Å; F84-C158 HydrophobicContact CG-CB 3.64Å; F84-L159 HydrophobicContact CE1-CD2 4.47Å; F84-L159 HydrophobicContact CE2-CD2 3.97Å; F84-L159 HydrophobicContact CE2-CG 4.27Å; F84-L159 HydrophobicContact CZ-CD2 3.47Å; F84-L159 VanDerWaalsContact CZ-CD2 3.47Å; F84-L159 HydrophobicContact CZ-CG 4.14Å
85L87.3Confident71.1Confident21 Ų2170.1 Ų70.111%0.1137%0.374CS..EExtended strand (participates in β ladder)trans-105.3118.9178.4-173.268000109.7A25 P26 L31 W65 V102A25-L85 HydrophobicContact CB-CD2 4.01Å; P26-L85 HydrophobicContact CG-CD1 3.84Å; L31-L85 HydrophobicContact CD1-CD2 3.76Å; W65-L85 HydrophobicContact CE3-CD1 3.73Å; W65-L85 HydrophobicContact CE3-CD2 3.79Å; W65-L85 HydrophobicContact CE3-CG 3.61Å; W65-L85 HydrophobicContact CH2-CD2 4.36Å; W65-L85 HydrophobicContact CZ3-CD1 4.28Å; W65-L85 HydrophobicContact CZ3-CD2 3.47Å; W65-L85 VanDerWaalsContact CZ3-CD2 3.47Å; W65-L85 HydrophobicContact CZ3-CG 3.66Å; L85-V102 PolarHBondContact O-N 2.78Å
86L90.2Very high73.6Confident0 Ų063.7 Ų63.70%034%0.34CS..EExtended strand (participates in β ladder)trans-113.4149.3178.9-6383.2000110.6W65 L66 V68 F84 L99 W100 L101 I108 V153W65-L86 WeakPolarHBondContact CA-O 3.04Å; L66-L86 HydrophobicContact CB-CB 4.28Å; L66-L86 PolarHBondContact N-O 3.49Å; L66-L86 PolarHBondContact O-N 3.45Å; V68-L86 HydrophobicContact CB-CD1 4.05Å; V68-L86 HydrophobicContact CG2-CD1 3.56Å; F84-L86 HydrophobicContact CB-CD1 4.16Å; L86-L99 HydrophobicContact CD2-CB 4.35Å; L86-W100 CarbonylContact C-O 3.58Å; L86-W100 WeakPolarHBondContact CA-O 3.39Å; L86-L101 HydrophobicContact CG-CD1 4.42Å; L86-I108 HydrophobicContact CD2-CD1 3.47Å; L86-I108 VanDerWaalsContact CD2-CD1 3.47Å; L86-I108 HydrophobicContact CG-CD1 4.04Å; L86-V153 HydrophobicContact CD2-CG1 4.27Å; L86-V153 HydrophobicContact CD2-CG2 4.13Å
87L93Very high76.1Confident0 Ų057.4 Ų57.40%031%0.313CS..EExtended strand (participates in β ladder)trans-109117.7169.6-17469.4000108.5A33 W55 F63 W65 I89 W100 V102A33-L87 HydrophobicContact CB-CD1 3.89Å; A33-L87 HydrophobicContact CB-CD2 4.23Å; W55-L87 HydrophobicContact CE3-CD2 4.33Å; W55-L87 HydrophobicContact CH2-CD2 3.49Å; W55-L87 VanDerWaalsContact CH2-CD2 3.49Å; W55-L87 HydrophobicContact CZ2-CD2 4.13Å; W55-L87 HydrophobicContact CZ3-CD2 3.59Å; F63-L87 HydrophobicContact CB-CD1 4.39Å; F63-L87 HydrophobicContact CD2-CD1 4.5Å; W65-L87 HydrophobicContact CD2-CD1 3.95Å; W65-L87 HydrophobicContact CE3-CD1 4.24Å; W65-L87 HydrophobicContact CG-CD1 4.45Å; W65-L87 HydrophobicContact CH2-CD1 4.46Å; W65-L87 HydrophobicContact CZ2-CD1 4.13Å; W65-L87 HydrophobicContact CZ3-CB 4.49Å; L87-I89 HydrophobicContact CD2-CD1 4Å; L87-I89 HydrophobicContact CD2-CG1 4.1Å; L87-I89 HydrophobicContact CG-CD1 4.44Å; L87-I89 HydrophobicContact CG-CG1 4.03Å; L87-W100 HydrophobicContact CB-CB 4.48Å; L87-W100 PolarHBondContact N-O 2.9Å; L87-W100 PolarHBondContact O-N 2.67Å; L87-V102 HydrophobicContact CB-CG2 3.61Å
88A93.6Very high78.8Confident0 Ų047.5 Ų47.50%027%0.27CS..EExtended strand (participates in β ladder)trans-87.7126.417200000108.8F63 G64 L97 Q98 L99 V139F63-A88 CarbonylContact C-O 3.59Å; F63-A88 WeakPolarHBondContact CA-O 3.44Å; F63-A88 VanDerWaalsContact CB-O 3.31Å; F63-A88 WeakPolarHBondContact CB-O 3.42Å; G64-A88 PolarHBondContact N-O 2.71Å; G64-A88 PolarHBondContact O-N 2.85Å; A88-L97 HydrophobicContact CB-CD1 4.23Å; A88-Q98 CarbonylContact C-O 3.29Å; A88-Q98 WeakPolarHBondContact CA-O 3.32Å; A88-L99 HydrophobicContact CB-CD2 3.51Å; A88-V139 HydrophobicContact CB-CG1 4.08Å
89I95Very high81.4Confident0 Ų043.7 Ų43.70%023%0.231CC..EExtended strand (participates in β ladder)trans-124.8109.2179.9-54.8176.1000108.5I41 W55 Y58 A61 Q62 F63 L87 Q98I41-I89 HydrophobicContact CD1-CD1 4.12Å; I41-I89 HydrophobicContact CD1-CG1 4.26Å; I41-I89 HydrophobicContact CD1-CG2 3.52Å; W55-I89 HydrophobicContact CD2-CD1 4.02Å; W55-I89 HydrophobicContact CE3-CD1 4.47Å; W55-I89 HydrophobicContact CG-CD1 4.15Å; Y58-I89 HydrophobicContact CD1-CG2 3.44Å; Y58-I89 VanDerWaalsContact CD1-CG2 3.44Å; Y58-I89 HydrophobicContact CE1-CB 4.47Å; Y58-I89 HydrophobicContact CE1-CG2 3.63Å; Y58-I89 HydrophobicContact CG-CG2 4.39Å; A61-I89 HydrophobicContact CB-CG2 4.18Å; Q62-I89 CarbonylContact O-C 3.54Å; Q62-I89 WeakPolarHBondContact O-CA 3.27Å; F63-I89 HydrophobicContact CB-CG1 4.23Å; L87-I89 HydrophobicContact CD2-CD1 4Å; L87-I89 HydrophobicContact CD2-CG1 4.1Å; L87-I89 HydrophobicContact CG-CD1 4.44Å; L87-I89 HydrophobicContact CG-CG1 4.03Å; I89-Q98 PolarHBondContact N-O 3.3Å; I89-Q98 PolarHBondContact O-N 3.3Å
90F95.1Very high84.1Confident0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-87.3122.1170.3178.3-121.4000109.6A61 Q62 P92 V96 L97 V113 S117 L119 L141A61-F90 CarbonylContact C-O 3.53Å; A61-F90 WeakPolarHBondContact CA-O 3.28Å; A61-F90 VanDerWaalsContact CB-O 3.3Å; A61-F90 WeakPolarHBondContact CB-O 3.12Å; Q62-F90 HydrophobicContact CB-CB 4.43Å; Q62-F90 HydrophobicContact CB-CD1 4.49Å; Q62-F90 PolarHBondContact N-O 2.79Å; Q62-F90 PolarHBondContact O-N 3.41Å; F90-P92 HydrophobicContact CD1-CG 3.96Å; F90-P92 HydrophobicContact CE1-CB 4.06Å; F90-P92 HydrophobicContact CE1-CG 3.62Å; F90-P92 HydrophobicContact CZ-CB 4.28Å; F90-P92 HydrophobicContact CZ-CG 4.29Å; F90-P92 WeakPolarHBondContact O-CD 3.21Å; F90-V96 WeakPolarHBondContact CD2-O 3.36Å; F90-L97 HydrophobicContact CB-CD1 3.96Å; F90-V113 HydrophobicContact CD2-CG1 4.49Å; F90-V113 HydrophobicContact CE2-CB 4.06Å; F90-V113 HydrophobicContact CE2-CG1 3.86Å; F90-S117 WeakPolarHBondContact CE1-O 3.27Å; F90-L119 HydrophobicContact CB-CB 3.92Å; F90-L119 HydrophobicContact CB-CD1 4.49Å; F90-L119 HydrophobicContact CB-CD2 4.11Å; F90-L119 HydrophobicContact CB-CG 4.41Å; F90-L119 HydrophobicContact CD1-CB 4.49Å; F90-L119 HydrophobicContact CG-CB 4.5Å; F90-L141 HydrophobicContact CD2-CD1 3.84Å; F90-L141 HydrophobicContact CE2-CD1 4.19Å; F90-L141 HydrophobicContact CG-CD1 4.08Å
91A92.8Very high86.5Confident5 Ų534 Ų344%0.04117%0.173CC..EExtended strand (participates in β ladder)trans-113.595178.700000109.4Y58 R93 L94 S95 V96Y58-A91 HydrophobicContact CD1-CB 4.14Å; Y58-A91 HydrophobicContact CE1-CB 4.35Å; A91-R93 VanDerWaalsContact C-N 3.32Å; A91-R93 PolarHBondContact O-N 3.24Å; A91-L94 HydrophobicContact CB-CB 4.23Å; A91-L94 HydrophobicContact CB-CD1 4.24Å; A91-L94 HydrophobicContact CB-CG 4.5Å; A91-L94 PolarHBondContact O-N 3.19Å; A91-S95 PolarHBondContact O-N 3.46Å; A91-S95 VanDerWaalsContact O-N 3.07Å; A91-V96 HydrophobicContact CB-CG2 4.33Å; A91-V96 PolarHBondContact N-O 3.38Å; A91-V96 PolarHBondContact O-N 2.92Å
92P90.2Very high88.4Confident26 Ų2631.3 Ų31.317%0.16915%0.154CC..G310 helixtrans-57.5-41.7-172-22.928.8000113.2D60 F90 L94 S95 P115D60-P92 WeakPolarHBondContact O-CD 3.39Å; D60-P92 WeakPolarHBondContact O-CG 3.36Å; F90-P92 HydrophobicContact CD1-CG 3.96Å; F90-P92 HydrophobicContact CE1-CB 4.06Å; F90-P92 HydrophobicContact CE1-CG 3.62Å; F90-P92 HydrophobicContact CZ-CB 4.28Å; F90-P92 HydrophobicContact CZ-CG 4.29Å; F90-P92 WeakPolarHBondContact O-CD 3.21Å; P92-L94 PolarHBondContact O-N 3.11Å; P92-S95 PolarHBondContact O-N 3.08Å; P92-P115 WeakPolarHBondContact O-CB 3.3Å
93R87.9Confident89.5Confident163 Ų16333.1 Ų33.162%0.61515%0.154SC*.G310 helixtrans-63.1-24.3-179.7-61.7-176.5-177.8-143.2-0.9114D60 A91D60-R93 IonicContact OD2-CZ 2.74Å; D60-R93 IonicContact OD2-NE 3.34Å; D60-R93 PolarHBondContact OD2-NE 2.87Å; D60-R93 IonicContact OD2-NH2 2.85Å; D60-R93 PolarHBondContact OD2-NH2 2.9Å; A91-R93 VanDerWaalsContact C-N 3.32Å; A91-R93 PolarHBondContact O-N 3.24Å
94L88.9Confident89.7Confident112 Ų11236.4 Ų36.459%0.58616%0.164SC*.G310 helixtrans-100.6-6177.5-64.6177000111.7A91 P92 V96A91-L94 HydrophobicContact CB-CB 4.23Å; A91-L94 HydrophobicContact CB-CD1 4.24Å; A91-L94 HydrophobicContact CB-CG 4.5Å; A91-L94 PolarHBondContact O-N 3.19Å; P92-L94 PolarHBondContact O-N 3.11Å; L94-V96 VanDerWaalsContact C-N 3.26Å; L94-V96 HydrophobicContact CB-CG2 3.7Å; L94-V96 HydrophobicContact CD1-CG2 4.48Å; L94-V96 PolarHBondContact O-N 2.99Å
95S90.8Very high89.6Confident29 Ų2938.8 Ų38.820%0.20317%0.172CC..THydrogen-bonded Turntrans52.943.5-175.6-53.50000112.2A91 P92 K112 V113 P115A91-S95 PolarHBondContact O-N 3.46Å; A91-S95 VanDerWaalsContact O-N 3.07Å; P92-S95 PolarHBondContact O-N 3.08Å; S95-K112 WeakPolarHBondContact O-CA 3.35Å; S95-V113 CarbonylContact C-O 3.59Å; S95-V113 VanDerWaalsContact C-O 3.29Å; S95-V113 WeakPolarHBondContact CA-O 3.36Å; S95-V113 VanDerWaalsContact CB-O 3.23Å; S95-V113 WeakPolarHBondContact CB-O 3.49Å; S95-V113 PolarHBondContact O-N 3.34Å; S95-V113 VanDerWaalsContact O-O 3.06Å; S95-P115 WeakPolarHBondContact OG-CB 3.42Å; S95-P115 WeakPolarHBondContact OG-CD 3.25Å; S95-P115 WeakPolarHBondContact OG-CG 3.45Å
96V93.7Very high89.5Confident23 Ų2341.1 Ų41.114%0.13918%0.179CC..EExtended strand (participates in β ladder)trans-137.9145.5-179.2-65.20000114.2F90 A91 L94 Q98 V110 F111F90-V96 WeakPolarHBondContact CD2-O 3.36Å; A91-V96 HydrophobicContact CB-CG2 4.33Å; A91-V96 PolarHBondContact N-O 3.38Å; A91-V96 PolarHBondContact O-N 2.92Å; L94-V96 VanDerWaalsContact C-N 3.26Å; L94-V96 HydrophobicContact CB-CG2 3.7Å; L94-V96 HydrophobicContact CD1-CG2 4.48Å; L94-V96 PolarHBondContact O-N 2.99Å; V96-Q98 HydrophobicContact CG2-CG 4.16Å; V96-V110 HydrophobicContact CB-CG1 3.94Å; V96-V110 HydrophobicContact CG1-CG1 3.91Å; V96-F111 CarbonylContact C-O 3.48Å; V96-F111 WeakPolarHBondContact CA-O 3.49Å; V96-F111 WeakPolarHBondContact CB-O 3.35Å
97L94.5Very high89.4Confident7 Ų745.5 Ų45.54%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-105117.6165178.467.8000109.3A88 F90 L99 V110 F111 V113 L119 P151A88-L97 HydrophobicContact CB-CD1 4.23Å; F90-L97 HydrophobicContact CB-CD1 3.96Å; L97-L99 HydrophobicContact CG-CD2 4.42Å; L97-V110 CarbonylContact O-C 3.55Å; L97-V110 WeakPolarHBondContact O-CA 3.31Å; L97-F111 HydrophobicContact CB-CB 4.31Å; L97-F111 HydrophobicContact CD2-CD2 4.39Å; L97-F111 PolarHBondContact N-O 3.45Å; L97-F111 PolarHBondContact O-N 3.32Å; L97-V113 HydrophobicContact CB-CG2 3.94Å; L97-L119 HydrophobicContact CD1-CD1 3.82Å; L97-P151 HydrophobicContact CD2-CB 4.37Å
98Q93.9Very high88.9Confident11 Ų1147.3 Ų47.35%0.05121%0.208CC..EExtended strand (participates in β ladder)trans-106.2133179.3-56.6-174.432.100110.7Y58 A88 I89 V96 A109 V110Y58-Q98 PolarHBondContact OH-NE2 2.88Å; Y58-Q98 PolarHBondContact OH-OE1 3.43Å; A88-Q98 CarbonylContact C-O 3.29Å; A88-Q98 WeakPolarHBondContact CA-O 3.32Å; I89-Q98 PolarHBondContact N-O 3.3Å; I89-Q98 PolarHBondContact O-N 3.3Å; V96-Q98 HydrophobicContact CG2-CG 4.16Å; Q98-A109 WeakPolarHBondContact CA-O 3.35Å; Q98-V110 HydrophobicContact CG-CG1 4.29Å; Q98-V110 HydrophobicContact CG-CG2 4.2Å
99L93.3Very high88.5Confident0 Ų048.5 Ų48.50%022%0.217CC..EExtended strand (participates in β ladder)trans-106.2123.2175.2-56.6-173.6000110.3L86 A88 L97 I108 A109 F111 P151 V153L86-L99 HydrophobicContact CD2-CB 4.35Å; A88-L99 HydrophobicContact CB-CD2 3.51Å; L97-L99 HydrophobicContact CG-CD2 4.42Å; L99-I108 PolarHBondContact O-N 3.31Å; L99-A109 HydrophobicContact CB-CB 4.37Å; L99-A109 HydrophobicContact CD1-CB 4.33Å; L99-A109 HydrophobicContact CG-CB 4.47Å; L99-A109 PolarHBondContact N-O 3.46Å; L99-F111 HydrophobicContact CD1-CE2 3.64Å; L99-F111 HydrophobicContact CD1-CZ 4.38Å; L99-F111 HydrophobicContact CG-CE2 3.94Å; L99-P151 HydrophobicContact CD1-CB 3.98Å; L99-P151 HydrophobicContact CD2-CB 4.33Å; L99-V153 HydrophobicContact CD1-CG2 3.24Å
100W92.6Very high88.3Confident23 Ų2352.1 Ų52.19%0.08724%0.24CC..EExtended strand (participates in β ladder)trans-116.4126.8-175.8-72.281.5000111.4W55 L86 L87 V102 Y105 R106 K107W55-W100 AromaticContact CD1-CE2 3.93Å; W55-W100 AromaticContact CD1-CZ2 3.81Å; W55-W100 HydrophobicContact CZ2-CB 4.4Å; W55-W100 HydrophobicContact CZ2-CD2 4.47Å; W55-W100 HydrophobicContact CZ2-CE3 4.47Å; W55-W100 HydrophobicContact CZ2-CG 4.45Å; W55-W100 AromaticContact NE1-CD2 3.38Å; W55-W100 AromaticContact NE1-CE2 3.46Å; W55-W100 AromaticContact NE1-CE3 3.49Å; W55-W100 AromaticContact NE1-CG 3.97Å; W55-W100 AromaticContact NE1-CH2 3.77Å; W55-W100 AromaticContact NE1-CZ2 3.65Å; W55-W100 AromaticContact NE1-CZ3 3.69Å; L86-W100 CarbonylContact C-O 3.58Å; L86-W100 WeakPolarHBondContact CA-O 3.39Å; L87-W100 HydrophobicContact CB-CB 4.48Å; L87-W100 PolarHBondContact N-O 2.9Å; L87-W100 PolarHBondContact O-N 2.67Å; W100-V102 PolarHBondContact O-N 3.04Å; W100-Y105 WeakPolarHBondContact CZ3-O 3.49Å; W100-R106 CarbonylContact C-O 3.56Å; W100-R106 WeakPolarHBondContact CA-O 3.37Å; W100-K107 HydrophobicContact CD2-CB 4.14Å; W100-K107 HydrophobicContact CD2-CG 4.37Å; W100-K107 HydrophobicContact CE3-CB 4.22Å; W100-K107 HydrophobicContact CH2-CB 4.24Å; W100-K107 HydrophobicContact CZ2-CB 4.16Å; W100-K107 HydrophobicContact CZ2-CD 4.28Å; W100-K107 VanDerWaalsContact CZ2-CE 3.44Å; W100-K107 HydrophobicContact CZ2-CG 4.24Å; W100-K107 HydrophobicContact CZ3-CB 4.26Å
101L89.4Confident88Confident4 Ų456 Ų562%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-75.6110.4168.1-169.459.7000109.3F84 L86 K104 Y105 R106 I108F84-L101 HydrophobicContact CB-CD1 4.19Å; F84-L101 HydrophobicContact CD1-CD1 4.22Å; L86-L101 HydrophobicContact CG-CD1 4.42Å; L101-K104 HydrophobicContact CD2-CB 3.99Å; L101-K104 HydrophobicContact CD2-CD 3.91Å; L101-K104 HydrophobicContact CD2-CG 3.98Å; L101-K104 HydrophobicContact CG-CB 4.38Å; L101-K104 PolarHBondContact O-N 3.13Å; L101-Y105 WeakPolarHBondContact O-CA 3.43Å; L101-Y105 PolarHBondContact O-N 2.87Å; L101-R106 PolarHBondContact N-O 3.49Å; L101-R106 PolarHBondContact O-N 3.29Å; L101-I108 HydrophobicContact CB-CD1 3.61Å; L101-I108 HydrophobicContact CB-CG1 4Å; L101-I108 HydrophobicContact CD1-CD1 4.21Å; L101-I108 HydrophobicContact CD2-CD1 4.48Å; L101-I108 HydrophobicContact CG-CD1 4.31Å
102V84.3Confident87.9Confident4 Ų465 Ų652%0.02430%0.295CS..G310 helixtrans-69.1-42.2-168.6176.30000112.5L31 L43 W65 L85 L87 W100 K104 Y105L31-V102 HydrophobicContact CD1-CG1 4.39Å; L43-V102 HydrophobicContact CD1-CG1 4.01Å; L43-V102 HydrophobicContact CD2-CG1 3.32Å; L43-V102 HydrophobicContact CG-CG1 4.3Å; W65-V102 HydrophobicContact CE3-CG2 4.45Å; W65-V102 HydrophobicContact CH2-CG1 4.3Å; W65-V102 HydrophobicContact CH2-CG2 4.11Å; W65-V102 HydrophobicContact CZ3-CB 4.21Å; W65-V102 HydrophobicContact CZ3-CG1 4.28Å; W65-V102 HydrophobicContact CZ3-CG2 3.57Å; L85-V102 PolarHBondContact O-N 2.78Å; L87-V102 HydrophobicContact CB-CG2 3.61Å; W100-V102 PolarHBondContact O-N 3.04Å; V102-K104 VanDerWaalsContact C-N 3.26Å; V102-K104 PolarHBondContact O-N 3.01Å; V102-Y105 VanDerWaalsContact O-CD1 3.23Å; V102-Y105 WeakPolarHBondContact O-CD1 3.42Å; V102-Y105 VanDerWaalsContact O-CE1 3.22Å; V102-Y105 WeakPolarHBondContact O-CE1 3.25Å; V102-Y105 PolarHBondContact O-N 3.37Å
103R78.9Confident87.9Confident198 Ų19864.6 Ų64.675%0.74729%0.292SS*.G310 helixtrans-63.3-28.1179.6-80.2-164.9169.3111.3-0.5114.5
104K76.4Confident88Confident96 Ų9660.6 Ų60.642%0.41728%0.283SS..G310 helixtrans-108.83.1-179.3-64-170.8171.8-1780112.7L101 V102 R106 E161L101-K104 HydrophobicContact CD2-CB 3.99Å; L101-K104 HydrophobicContact CD2-CD 3.91Å; L101-K104 HydrophobicContact CD2-CG 3.98Å; L101-K104 HydrophobicContact CG-CB 4.38Å; L101-K104 PolarHBondContact O-N 3.13Å; V102-K104 VanDerWaalsContact C-N 3.26Å; V102-K104 PolarHBondContact O-N 3.01Å; K104-R106 HydrophobicContact CB-CB 4.33Å; K104-R106 PolarHBondContact O-N 3.3Å; K104-E161 VanDerWaalsContact NZ-CG 3.32Å; K104-E161 IonicContact NZ-OE1 2.76Å; K104-E161 PolarHBondContact NZ-OE1 3.01Å
105Y80.7Confident88.1Confident92 Ų9258.3 Ų58.336%0.36128%0.275SS..THydrogen-bonded Turntrans44.537.2-173.3-42.4-73.4000113.6L43 I52 Y53 W100 L101 V102L43-Y105 HydrophobicContact CD2-CE1 4.07Å; I52-Y105 HydrophobicContact CG2-CE1 3.93Å; I52-Y105 WeakPolarHBondContact CG2-OH 3.41Å; Y53-Y105 AromaticContact CD2-CD1 3.65Å; Y53-Y105 HydrophobicContact CD2-CD1 3.65Å; Y53-Y105 HydrophobicContact CD2-CE1 4.31Å; Y53-Y105 AromaticContact CD2-CG 3.85Å; Y53-Y105 HydrophobicContact CD2-CG 3.85Å; Y53-Y105 HydrophobicContact CE2-CD1 4.34Å; Y53-Y105 HydrophobicContact CE2-CG 4.14Å; Y53-Y105 AromaticContact CG-CD1 3.74Å; Y53-Y105 HydrophobicContact CG-CD1 3.74Å; Y53-Y105 HydrophobicContact CG-CE1 4.36Å; Y53-Y105 HydrophobicContact CG-CG 4.36Å; W100-Y105 WeakPolarHBondContact CZ3-O 3.49Å; L101-Y105 WeakPolarHBondContact O-CA 3.43Å; L101-Y105 PolarHBondContact O-N 2.87Å; V102-Y105 VanDerWaalsContact O-CD1 3.23Å; V102-Y105 WeakPolarHBondContact O-CD1 3.42Å; V102-Y105 VanDerWaalsContact O-CE1 3.22Å; V102-Y105 WeakPolarHBondContact O-CE1 3.25Å; V102-Y105 PolarHBondContact O-N 3.37Å
106R84Confident88.1Confident70 Ų7063.8 Ų63.826%0.26430%0.297SS..EExtended strand (participates in β ladder)trans-110.8133.8-171.8-172.9-176.773.9165.5-3.7110.9W100 L101 K104 I108 S157 Q160W100-R106 CarbonylContact C-O 3.56Å; W100-R106 WeakPolarHBondContact CA-O 3.37Å; L101-R106 PolarHBondContact N-O 3.49Å; L101-R106 PolarHBondContact O-N 3.29Å; K104-R106 HydrophobicContact CB-CB 4.33Å; K104-R106 PolarHBondContact O-N 3.3Å; R106-I108 PolarHBondContact O-N 2.85Å; R106-S157 PolarHBondContact NH2-O 3.44Å; R106-Q160 PolarHBondContact NH1-O 3.33Å; R106-Q160 PolarHBondContact NH2-O 3.36Å
107K87.4Confident88.1Confident92 Ų9262.9 Ų62.940%0.429%0.291SS..EExtended strand (participates in β ladder)trans-74.1120.2169.6-160.4-177.3-38.5-1570110.1W100 V110W100-K107 HydrophobicContact CD2-CB 4.14Å; W100-K107 HydrophobicContact CD2-CG 4.37Å; W100-K107 HydrophobicContact CE3-CB 4.22Å; W100-K107 HydrophobicContact CH2-CB 4.24Å; W100-K107 HydrophobicContact CZ2-CB 4.16Å; W100-K107 HydrophobicContact CZ2-CD 4.28Å; W100-K107 VanDerWaalsContact CZ2-CE 3.44Å; W100-K107 HydrophobicContact CZ2-CG 4.24Å; W100-K107 HydrophobicContact CZ3-CB 4.26Å; K107-V110 HydrophobicContact CD-CG2 3.4Å; K107-V110 VanDerWaalsContact CD-CG2 3.4Å; K107-V110 HydrophobicContact CG-CG2 4.14Å
108I83.8Confident88Confident38 Ų3867.5 Ų67.520%0.19531%0.313CS..EExtended strand (participates in β ladder)trans-90.7-44.5-179.9-62.2174.5000110.4L86 L99 L101 R106 V153L86-I108 HydrophobicContact CD2-CD1 3.47Å; L86-I108 VanDerWaalsContact CD2-CD1 3.47Å; L86-I108 HydrophobicContact CG-CD1 4.04Å; L99-I108 PolarHBondContact O-N 3.31Å; L101-I108 HydrophobicContact CB-CD1 3.61Å; L101-I108 HydrophobicContact CB-CG1 4Å; L101-I108 HydrophobicContact CD1-CD1 4.21Å; L101-I108 HydrophobicContact CD2-CD1 4.48Å; L101-I108 HydrophobicContact CG-CD1 4.31Å; R106-I108 PolarHBondContact O-N 2.85Å; I108-V153 HydrophobicContact CG2-CG1 4.17Å
109A85.3Confident88Confident25 Ų2567.8 Ų67.821%0.20731%0.314CS..EExtended strand (participates in β ladder)trans-148.4155.6-173.600000111.6Q98 L99 F111Q98-A109 WeakPolarHBondContact CA-O 3.35Å; L99-A109 HydrophobicContact CB-CB 4.37Å; L99-A109 HydrophobicContact CD1-CB 4.33Å; L99-A109 HydrophobicContact CG-CB 4.47Å; L99-A109 PolarHBondContact N-O 3.46Å; A109-F111 HydrophobicContact CB-CE2 3.69Å; A109-F111 HydrophobicContact CB-CZ 3.91Å
110V90.4Very high87.9Confident77 Ų7771.8 Ų71.847%0.46734%0.336SS..EExtended strand (participates in β ladder)trans-136.5122.5173.5-176.60000108V96 L97 Q98 K107V96-V110 HydrophobicContact CB-CG1 3.94Å; V96-V110 HydrophobicContact CG1-CG1 3.91Å; L97-V110 CarbonylContact O-C 3.55Å; L97-V110 WeakPolarHBondContact O-CA 3.31Å; Q98-V110 HydrophobicContact CG-CG1 4.29Å; Q98-V110 HydrophobicContact CG-CG2 4.2Å; K107-V110 HydrophobicContact CD-CG2 3.4Å; K107-V110 VanDerWaalsContact CD-CG2 3.4Å; K107-V110 HydrophobicContact CG-CG2 4.14Å
111F89.8Confident87.6Confident80 Ų8073 Ų7335%0.35134%0.34SS..EExtended strand (participates in β ladder)trans-109.9134.8176.7-55.4-86.6000108.9V96 L97 L99 A109 V113V96-F111 CarbonylContact C-O 3.48Å; V96-F111 WeakPolarHBondContact CA-O 3.49Å; V96-F111 WeakPolarHBondContact CB-O 3.35Å; L97-F111 HydrophobicContact CB-CB 4.31Å; L97-F111 HydrophobicContact CD2-CD2 4.39Å; L97-F111 PolarHBondContact N-O 3.45Å; L97-F111 PolarHBondContact O-N 3.32Å; L99-F111 HydrophobicContact CD1-CE2 3.64Å; L99-F111 HydrophobicContact CD1-CZ 4.38Å; L99-F111 HydrophobicContact CG-CE2 3.94Å; A109-F111 HydrophobicContact CB-CE2 3.69Å; A109-F111 HydrophobicContact CB-CZ 3.91Å; F111-V113 HydrophobicContact CB-CG2 4.12Å
112K90.3Very high87Confident194 Ų19475.3 Ų75.384%0.84336%0.357SS*.EExtended strand (participates in β ladder)trans-82126.7171.1-166.6174.9-178.1-179.50108.4S95S95-K112 WeakPolarHBondContact O-CA 3.35Å
113V89.7Confident86.2Confident19 Ų1978 Ų7812%0.11537%0.374CS..  trans-140147.2-168.5177.50000109.1F90 S95 L97 F111 S117 L141F90-V113 HydrophobicContact CD2-CG1 4.49Å; F90-V113 HydrophobicContact CE2-CB 4.06Å; F90-V113 HydrophobicContact CE2-CG1 3.86Å; S95-V113 CarbonylContact C-O 3.59Å; S95-V113 VanDerWaalsContact C-O 3.29Å; S95-V113 WeakPolarHBondContact CA-O 3.36Å; S95-V113 VanDerWaalsContact CB-O 3.23Å; S95-V113 WeakPolarHBondContact CB-O 3.49Å; S95-V113 PolarHBondContact O-N 3.34Å; S95-V113 VanDerWaalsContact O-O 3.06Å; L97-V113 HydrophobicContact CB-CG2 3.94Å; F111-V113 HydrophobicContact CB-CG2 4.12Å; V113-S117 WeakPolarHBondContact CG1-OG 3.42Å; V113-L141 HydrophobicContact CG1-CD1 3.73Å; V113-L141 HydrophobicContact CG1-CD2 3.21Å; V113-L141 HydrophobicContact CG1-CG 4.06Å
114D90.4Very high85.3Confident78 Ų7871.6 Ų71.642%0.41736%0.359SS..  trans-57.3131.4-179.8-169.3-72.3000111.6Q116 S117 P144D114-Q116 PolarHBondContact O-N 3.19Å; D114-Q116 WeakPolarHBondContact OD1-CB 2.81Å; D114-Q116 PolarHBondContact OD1-N 3.48Å; D114-S117 WeakPolarHBondContact O-CB 3.13Å; D114-S117 PolarHBondContact O-N 3.3Å; D114-S117 PolarHBondContact O-OG 2.99Å; D114-P144 HydrophobicContact CB-CG 4.28Å; D114-P144 WeakPolarHBondContact OD1-CG 3.19Å
115P90.4Very high84.2Confident65 Ų6573.3 Ų73.342%0.42237%0.372SS..THydrogen-bonded Turntrans-61.2-22.1-178.818-26.5000115.1P92 S95 S117P92-P115 WeakPolarHBondContact O-CB 3.3Å; S95-P115 WeakPolarHBondContact OG-CB 3.42Å; S95-P115 WeakPolarHBondContact OG-CD 3.25Å; S95-P115 WeakPolarHBondContact OG-CG 3.45Å; P115-S117 VanDerWaalsContact C-N 3.3Å
116Q91.4Very high82.7Confident144 Ų14480.1 Ų80.167%0.67340%0.397SS*.THydrogen-bonded Turntrans-87.13.7174.5-68.6-176.8-5.300113.3D114 H118 P144D114-Q116 PolarHBondContact O-N 3.19Å; D114-Q116 WeakPolarHBondContact OD1-CB 2.81Å; D114-Q116 PolarHBondContact OD1-N 3.48Å; Q116-H118 PolarHBondContact O-CD2 3.2Å; Q116-P144 HydrophobicContact CB-CB 4.3Å; Q116-P144 HydrophobicContact CB-CG 3.47Å; Q116-P144 VanDerWaalsContact CB-CG 3.47Å
117S93.1Very high80.7Confident3 Ų381.4 Ų81.42%0.02141%0.412CS..  trans-69.2159.5175.5-53.50000112.2F90 V113 D114 P115 L142F90-S117 WeakPolarHBondContact CE1-O 3.27Å; V113-S117 WeakPolarHBondContact CG1-OG 3.42Å; D114-S117 WeakPolarHBondContact O-CB 3.13Å; D114-S117 PolarHBondContact O-N 3.3Å; D114-S117 PolarHBondContact O-OG 2.99Å; P115-S117 VanDerWaalsContact C-N 3.3Å; S117-L142 CarbonylContact C-O 3.42Å; S117-L142 WeakPolarHBondContact CA-O 3.42Å; S117-L142 VanDerWaalsContact CB-O 3.3Å; S117-L142 WeakPolarHBondContact CB-O 3.31Å
118H93.1Very high78.5Confident104 Ų10483.2 Ų83.248%0.48143%0.426SS..EExtended strand (participates in β ladder)trans-124125.6175.7-76-91.1000111.1Q116 L141 L142Q116-H118 PolarHBondContact O-CD2 3.2Å; H118-L141 WeakPolarHBondContact O-CA 3.29Å; H118-L142 PolarHBondContact N-O 2.98Å; H118-L142 PolarHBondContact O-N 3.45Å
119L93.9Very high76.6Confident17 Ų1791.3 Ų91.39%0.08946%0.46CS..EExtended strand (participates in β ladder)trans-80120.9172.3-170.174.8000109.6Q62 F90 L97 V139 L141Q62-L119 HydrophobicContact CB-CB 3.88Å; Q62-L119 HydrophobicContact CB-CD2 4.31Å; F90-L119 HydrophobicContact CB-CB 3.92Å; F90-L119 HydrophobicContact CB-CD1 4.49Å; F90-L119 HydrophobicContact CB-CD2 4.11Å; F90-L119 HydrophobicContact CB-CG 4.41Å; F90-L119 HydrophobicContact CD1-CB 4.49Å; F90-L119 HydrophobicContact CG-CB 4.5Å; L97-L119 HydrophobicContact CD1-CD1 3.82Å; L119-V139 HydrophobicContact CD1-CG1 3.6Å; L119-V139 HydrophobicContact CG-CG1 4.3Å; L119-L141 HydrophobicContact CD1-CB 4.35Å; L119-L141 HydrophobicContact CD1-CD1 4.18Å
120L90.1Very high74.6Confident85 Ų8593.4 Ų93.445%0.44547%0.473SS..EExtended strand (participates in β ladder)trans-105.4126.9176.4-58.2177.1000109V139 C140 L142L120-V139 WeakPolarHBondContact O-CA 3.39Å; L120-C140 PolarHBondContact N-O 2.75Å; L120-C140 PolarHBondContact O-N 2.72Å; L120-C140 VanDerWaalsContact O-O 3.11Å; L120-L142 HydrophobicContact CD1-CB 4.21Å
121Y86.5Confident72.3Confident47 Ų4796.1 Ų96.118%0.18449%0.485CS..EExtended strand (participates in β ladder)trans-122.7123.7175.5172.3-112.6000109.1C23 F24 W65 P123 S138 V139C23-Y121 WeakPolarHBondContact SG-CD1 3.1Å; C23-Y121 WeakPolarHBondContact SG-CE1 3.39Å; F24-Y121 PolarHBondContact O-OH 3.44Å; W65-Y121 HydrophobicContact CB-CE2 3.73Å; W65-Y121 AromaticContact CD1-CZ 3.84Å; W65-Y121 HydrophobicContact CG-CE2 4.5Å; W65-Y121 VanDerWaalsContact N-CD2 3.32Å; W65-Y121 WeakPolarHBondContact O-CE2 3.14Å; Y121-P123 HydrophobicContact CE1-CB 3.73Å; Y121-P123 HydrophobicContact CE1-CG 4.22Å; Y121-S138 WeakPolarHBondContact CA-O 3.5Å; Y121-S138 WeakPolarHBondContact CD2-O 3.41Å; Y121-V139 HydrophobicContact CD2-CG2 3.59Å; Y121-V139 HydrophobicContact CE2-CG2 4.37Å; Y121-V139 HydrophobicContact CG-CG2 4.47Å
122S78.1Confident69.9Low53 Ų5396.7 Ų96.737%0.37149%0.491SS..  trans-105.3106.2171.1-1660000108.6S138S122-S138 PolarHBondContact N-O 3.11Å; S122-S138 VanDerWaalsContact N-O 3.08Å
123P65.9Low67.8Low60 Ų6091.7 Ų91.739%0.3949%0.486SS..  trans-64141.7170.725.4-29.5000108.6Y121 L125Y121-P123 HydrophobicContact CE1-CB 3.73Å; Y121-P123 HydrophobicContact CE1-CG 4.22Å; P123-L125 PolarHBondContact O-N 3.2Å
124P60.9Low65.7Low64 Ų6499.1 Ų99.142%0.41652%0.519SS..  trans-61.5103.4174.724.9-31.8000108.3P26 R126P26-P124 HydrophobicContact CB-CG 3.85Å; P124-R126 PolarHBondContact O-N 3.41Å
125L52.9Low63.5Low133 Ų133102.7 Ų102.770%0.69653%0.534SS*.  trans-60.5134.1171.8-73160.9000106.7P123 V127P123-L125 PolarHBondContact O-N 3.2Å; L125-V127 HydrophobicContact CB-CG2 3.82Å; L125-V127 PolarHBondContact O-N 3.4Å
126R48.8Very low61.4Low235 Ų235102.5 Ų102.589%0.88753%0.533SS*.  trans-68.758.1163.2-84.1-176.3165.7165.1-2.7109.2P124P124-R126 PolarHBondContact O-N 3.41Å
127V42.7Very low59.6Low96 Ų96100.4 Ų100.458%0.58253%0.525SS*.  trans-75128.4157.6-174.80000104.8L125L125-V127 HydrophobicContact CB-CG2 3.82Å; L125-V127 PolarHBondContact O-N 3.4Å
128N40.2Very low58.5Low131 Ų131101.4 Ų101.470%0.70153%0.533SS*.  trans-16.3152177.7-150.4-8.3000117.1S130N128-S130 PolarHBondContact O-N 2.92Å; N128-S130 PolarHBondContact O-OG 3.48Å
129K44.8Very low58.2Low208 Ų20896.7 Ų96.790%0.90451%0.511SS*.SBendtrans-43-4.9-175.8-77.2178.5173.4177.70118.2
130S42.3Very low57.9Low68 Ų6896.8 Ų96.848%0.47651%0.513SS..SBendtrans-57.6133.616650.60000111.9N128 L132N128-S130 PolarHBondContact O-N 2.92Å; N128-S130 PolarHBondContact O-OG 3.48Å; S130-L132 PolarHBondContact O-N 3.44Å
131N43.3Very low58Low134 Ų13492.9 Ų92.972%0.71749%0.492SS*.SBendtrans-52.416.4-173.7-71.2-17.2000118.4A133 E134N131-A133 PolarHBondContact O-N 3.46Å; N131-A133 VanDerWaalsContact O-N 3.13Å; N131-E134 PolarHBondContact O-N 3.21Å
132L40Very low58.3Low93 Ų9393.5 Ų93.549%0.48750%0.499SS..G310 helixtrans-65.8-13.6178-71.9167.1000113.3S130 E134 Q135 C136S130-L132 PolarHBondContact O-N 3.44Å; L132-E134 PolarHBondContact O-N 3.22Å; L132-Q135 PolarHBondContact O-N 3.46Å; L132-C136 PolarHBondContact O-N 3Å
133A44.5Very low58.8Low89 Ų8992.2 Ų92.274%0.73649%0.488SS*.G310 helixtrans-58-28.5173.900000113N131 Q135N131-A133 PolarHBondContact O-N 3.46Å; N131-A133 VanDerWaalsContact O-N 3.13Å; A133-Q135 VanDerWaalsContact C-N 3.3Å; A133-Q135 PolarHBondContact O-N 2.9Å
134E45.8Very low59.9Low174 Ų17492.5 Ų92.581%0.81349%0.489SS*.G310 helixtrans-76.8-16177.7-67.5-174.717200113.3N131 L132N131-E134 PolarHBondContact O-N 3.21Å; L132-E134 PolarHBondContact O-N 3.22Å
135Q44.8Very low61.2Low154 Ų15494.3 Ų94.372%0.7250%0.504SS*.THydrogen-bonded Turntrans-111-4.4-174.4-68.3-174.9-10.500114.4L132 A133 I137L132-Q135 PolarHBondContact O-N 3.46Å; A133-Q135 VanDerWaalsContact C-N 3.3Å; A133-Q135 PolarHBondContact O-N 2.9Å; Q135-I137 PolarHBondContact O-N 2.96Å
136C46.8Very low62.7Low61 Ų6190.4 Ų90.441%0.41250%0.495SS..  trans-72.5104.2172.5-85.80000110.5L132 S138L132-C136 PolarHBondContact O-N 3Å; C136-S138 PolarHBondContact O-N 2.98Å; C136-S138 VanDerWaalsContact O-N 3.15Å
137I53.4Low64.6Low99 Ų9983.5 Ų83.551%0.50848%0.476SS..  trans-60.2115.1166.4-58.9172000107.9Q135 C140 F150Q135-I137 PolarHBondContact O-N 2.96Å; I137-C140 HydrophobicContact CG2-CB 4.37Å; I137-F150 HydrophobicContact CD1-CE1 3.89Å; I137-F150 HydrophobicContact CD1-CZ 4.12Å; I137-F150 HydrophobicContact CG2-CD1 3.77Å; I137-F150 HydrophobicContact CG2-CE1 3.41Å; I137-F150 VanDerWaalsContact CG2-CE1 3.41Å
138S70Confident66.8Low25 Ų2583.2 Ų83.218%0.17547%0.47CS..  trans-73.2-50.2-172.3-158.10000112.2W65 Y121 S122 C136W65-S138 PolarHBondContact O-OG 2.8Å; Y121-S138 WeakPolarHBondContact CA-O 3.5Å; Y121-S138 WeakPolarHBondContact CD2-O 3.41Å; S122-S138 PolarHBondContact N-O 3.11Å; S122-S138 VanDerWaalsContact N-O 3.08Å; C136-S138 PolarHBondContact O-N 2.98Å; C136-S138 VanDerWaalsContact O-N 3.15Å
139V86Confident69Low5 Ų581.1 Ų81.13%0.0346%0.458CS..EExtended strand (participates in β ladder)trans-138.9133.1-179.4170.60000110.7W65 A88 L119 L120 Y121 P151W65-V139 WeakPolarHBondContact O-CG2 3.49Å; A88-V139 HydrophobicContact CB-CG1 4.08Å; L119-V139 HydrophobicContact CD1-CG1 3.6Å; L119-V139 HydrophobicContact CG-CG1 4.3Å; L120-V139 WeakPolarHBondContact O-CA 3.39Å; Y121-V139 HydrophobicContact CD2-CG2 3.59Å; Y121-V139 HydrophobicContact CE2-CG2 4.37Å; Y121-V139 HydrophobicContact CG-CG2 4.47Å; V139-P151 HydrophobicContact CG1-CG 4.27Å
140C89.2Confident70.9Confident18 Ų1876.3 Ų76.312%0.12244%0.438CS..EExtended strand (participates in β ladder)trans-141.7165.4167.765.80000110.9L120 I137 I148 L149 F150L120-C140 PolarHBondContact N-O 2.75Å; L120-C140 PolarHBondContact O-N 2.72Å; L120-C140 VanDerWaalsContact O-O 3.11Å; I137-C140 HydrophobicContact CG2-CB 4.37Å; C140-I148 HydrophobicContact CB-CG2 3.62Å; C140-L149 CarbonylContact C-O 3.47Å; C140-L149 WeakPolarHBondContact CA-O 3.46Å; C140-F150 HydrophobicContact CB-CD1 3.51Å; C140-F150 HydrophobicContact CB-CE1 3.38Å; C140-F150 HydrophobicContact CB-CG 4.48Å; C140-F150 HydrophobicContact CB-CZ 4.28Å
141L91.8Very high72.7Confident3 Ų373.9 Ų73.92%0.01642%0.42CS..EExtended strand (participates in β ladder)trans-124.3123.4-179.3-176.8129000109.5F90 V113 H118 L119 I148 L149F90-L141 HydrophobicContact CD2-CD1 3.84Å; F90-L141 HydrophobicContact CE2-CD1 4.19Å; F90-L141 HydrophobicContact CG-CD1 4.08Å; V113-L141 HydrophobicContact CG1-CD1 3.73Å; V113-L141 HydrophobicContact CG1-CD2 3.21Å; V113-L141 HydrophobicContact CG1-CG 4.06Å; H118-L141 WeakPolarHBondContact O-CA 3.29Å; L119-L141 HydrophobicContact CD1-CB 4.35Å; L119-L141 HydrophobicContact CD1-CD1 4.18Å; L141-I148 CarbonylContact O-C 3.54Å; L141-I148 WeakPolarHBondContact O-CA 3.28Å; L141-L149 HydrophobicContact CB-CB 4.45Å; L141-L149 HydrophobicContact CD2-CB 4.42Å; L141-L149 HydrophobicContact CD2-CD1 3.99Å; L141-L149 PolarHBondContact N-O 2.97Å; L141-L149 PolarHBondContact O-N 2.9Å
142L92.4Very high74.3Confident61 Ų6173.2 Ų73.232%0.31942%0.421SS..EExtended strand (participates in β ladder)trans-92.7118177.5-171.2103.5000108.8S117 H118 L120 N147 I148S117-L142 CarbonylContact C-O 3.42Å; S117-L142 WeakPolarHBondContact CA-O 3.42Å; S117-L142 VanDerWaalsContact CB-O 3.3Å; S117-L142 WeakPolarHBondContact CB-O 3.31Å; H118-L142 PolarHBondContact N-O 2.98Å; H118-L142 PolarHBondContact O-N 3.45Å; L120-L142 HydrophobicContact CD1-CB 4.21Å; L142-N147 WeakPolarHBondContact CA-O 3.43Å; L142-I148 HydrophobicContact CD1-CG1 4.02Å
143D89.2Confident76Confident26 Ų2669.6 Ų69.614%0.13940%0.403CS..  trans-81.7168.2175.4818000111.9S145 G146 N147D143-S145 PolarHBondContact O-N 2.97Å; D143-S145 VanDerWaalsContact OD1-C 3.32Å; D143-S145 VanDerWaalsContact OD1-CA 3.29Å; D143-S145 WeakPolarHBondContact OD1-CA 3.41Å; D143-S145 WeakPolarHBondContact OD1-CB 3.42Å; D143-S145 PolarHBondContact OD1-N 3.31Å; D143-G146 PolarHBondContact O-N 3.08Å; D143-G146 VanDerWaalsContact O-N 3.09Å; D143-G146 PolarHBondContact OD1-N 2.78Å; D143-N147 PolarHBondContact N-O 2.86Å; D143-N147 PolarHBondContact OD1-N 3.33Å; D143-N147 WeakPolarHBondContact OD2-CB 3.37Å; D143-N147 PolarHBondContact OD2-ND2 3.41Å
144P88.3Confident77.5Confident65 Ų6569 Ų6942%0.42239%0.391SS..THydrogen-bonded Turntrans-66.6-16.6178.6-21.734.5000114.3D114 Q116 G146D114-P144 HydrophobicContact CB-CG 4.28Å; D114-P144 WeakPolarHBondContact OD1-CG 3.19Å; Q116-P144 HydrophobicContact CB-CB 4.3Å; Q116-P144 HydrophobicContact CB-CG 3.47Å; Q116-P144 VanDerWaalsContact CB-CG 3.47Å; P144-G146 VanDerWaalsContact C-N 3.27Å
145S87.5Confident78.8Confident103 Ų10362.9 Ų62.972%0.7236%0.364SS*.THydrogen-bonded Turntrans-83.2-7.3176.2-56.60000112D143D143-S145 PolarHBondContact O-N 2.97Å; D143-S145 VanDerWaalsContact OD1-C 3.32Å; D143-S145 VanDerWaalsContact OD1-CA 3.29Å; D143-S145 WeakPolarHBondContact OD1-CA 3.41Å; D143-S145 WeakPolarHBondContact OD1-CB 3.42Å; D143-S145 PolarHBondContact OD1-N 3.31Å
146G85.7Confident80.1Confident50 Ų5058.4 Ų58.452%0.51535%0.354SS..SBendtrans89.96-17700000114.5D143 P144D143-G146 PolarHBondContact O-N 3.08Å; D143-G146 VanDerWaalsContact O-N 3.09Å; D143-G146 PolarHBondContact OD1-N 2.78Å; P144-G146 VanDerWaalsContact C-N 3.27Å
147N88.2Confident81.2Confident90 Ų9057.2 Ų57.248%0.48135%0.346SS..  trans-77.3147.5175.5-52.4-58.6000111.1L142 D143L142-N147 WeakPolarHBondContact CA-O 3.43Å; D143-N147 PolarHBondContact N-O 2.86Å; D143-N147 PolarHBondContact OD1-N 3.33Å; D143-N147 WeakPolarHBondContact OD2-CB 3.37Å; D143-N147 PolarHBondContact OD2-ND2 3.41Å
148I89.1Confident82.1Confident90 Ų9052.5 Ų52.546%0.46232%0.322SS..EExtended strand (participates in β ladder)trans-107.9116.6176.5-56.7168.8000109C140 L141 L142 F150C140-I148 HydrophobicContact CB-CG2 3.62Å; L141-I148 CarbonylContact O-C 3.54Å; L141-I148 WeakPolarHBondContact O-CA 3.28Å; L142-I148 HydrophobicContact CD1-CG1 4.02Å; I148-F150 HydrophobicContact CB-CE2 4.39Å; I148-F150 HydrophobicContact CB-CZ 4.32Å; I148-F150 HydrophobicContact CG2-CE1 3.83Å; I148-F150 HydrophobicContact CG2-CE2 3.82Å; I148-F150 HydrophobicContact CG2-CZ 3.4Å; I148-F150 VanDerWaalsContact CG2-CZ 3.4Å
149L85.7Confident82Confident87 Ų8755.9 Ų55.946%0.45534%0.337SS..EExtended strand (participates in β ladder)trans-102.9134.5179.8-58.1176.7000110.5C140 L141C140-L149 CarbonylContact C-O 3.47Å; C140-L149 WeakPolarHBondContact CA-O 3.46Å; L141-L149 HydrophobicContact CB-CB 4.45Å; L141-L149 HydrophobicContact CD2-CB 4.42Å; L141-L149 HydrophobicContact CD2-CD1 3.99Å; L141-L149 PolarHBondContact N-O 2.97Å; L141-L149 PolarHBondContact O-N 2.9Å
150F85Confident80.4Confident107 Ų10761.7 Ų61.747%0.46936%0.364SS..  trans-113.7125.2179.7-58.2-81.4000111.1I137 C140 I148 V152I137-F150 HydrophobicContact CD1-CE1 3.89Å; I137-F150 HydrophobicContact CD1-CZ 4.12Å; I137-F150 HydrophobicContact CG2-CD1 3.77Å; I137-F150 HydrophobicContact CG2-CE1 3.41Å; I137-F150 VanDerWaalsContact CG2-CE1 3.41Å; C140-F150 HydrophobicContact CB-CD1 3.51Å; C140-F150 HydrophobicContact CB-CE1 3.38Å; C140-F150 HydrophobicContact CB-CG 4.48Å; C140-F150 HydrophobicContact CB-CZ 4.28Å; I148-F150 HydrophobicContact CB-CE2 4.39Å; I148-F150 HydrophobicContact CB-CZ 4.32Å; I148-F150 HydrophobicContact CG2-CE1 3.83Å; I148-F150 HydrophobicContact CG2-CE2 3.82Å; I148-F150 HydrophobicContact CG2-CZ 3.4Å; I148-F150 VanDerWaalsContact CG2-CZ 3.4Å; F150-V152 PolarHBondContact O-N 3.46Å
151P80.4Confident78.2Confident17 Ų1765 Ų6511%0.1138%0.378CS..  trans-73109.417427.3-30.3000110.6L97 L99 V139L97-P151 HydrophobicContact CD2-CB 4.37Å; L99-P151 HydrophobicContact CD1-CB 3.98Å; L99-P151 HydrophobicContact CD2-CB 4.33Å; V139-P151 HydrophobicContact CG1-CG 4.27Å
152V76.2Confident75.7Confident120 Ų12071.6 Ų71.673%0.72742%0.418SS*.  trans-94.5121.5173-177.40000109.3F150F150-V152 PolarHBondContact O-N 3.46Å
153V76Confident73.1Confident17 Ų1777 Ų7710%0.10343%0.434CS..  trans-115.8114.3176.5-176.20000109.1L66 V68 L86 L99 I108 L155L66-V153 HydrophobicContact CD2-CG2 4.17Å; V68-V153 HydrophobicContact CG2-CB 4.17Å; L86-V153 HydrophobicContact CD2-CG1 4.27Å; L86-V153 HydrophobicContact CD2-CG2 4.13Å; L99-V153 HydrophobicContact CD1-CG2 3.24Å; I108-V153 HydrophobicContact CG2-CG1 4.17Å; V153-L155 PolarHBondContact O-N 3.18Å
154P77.1Confident70.5Confident77 Ų7781.9 Ų81.950%0.547%0.467SS..  trans-59.1136.9172.5-22.433.2000110.9A156 S157P154-A156 PolarHBondContact O-N 2.8Å; P154-A156 VanDerWaalsContact O-N 3.15Å; P154-S157 WeakPolarHBondContact O-CB 3.15Å; P154-S157 PolarHBondContact O-N 3.39Å
155L73Confident68.2Low46 Ų4684.6 Ų84.624%0.24148%0.478CS..Hα-helixtrans-59-32.2-177.5-159.3140.2000112V68 D70 F84 V153 S157 C158 L159V68-L155 HydrophobicContact CG1-CB 4.25Å; V68-L155 HydrophobicContact CG1-CD1 4.19Å; V68-L155 HydrophobicContact CG1-CG 4.18Å; D70-L155 HydrophobicContact CB-CD1 3.81Å; D70-L155 VanDerWaalsContact N-CD1 3.33Å; F84-L155 HydrophobicContact CD2-CG 4.44Å; F84-L155 HydrophobicContact CE2-CD2 4.16Å; F84-L155 HydrophobicContact CE2-CG 4.38Å; V153-L155 PolarHBondContact O-N 3.18Å; L155-S157 VanDerWaalsContact C-N 3.3Å; L155-S157 PolarHBondContact O-N 2.99Å; L155-C158 WeakPolarHBondContact O-CB 3.31Å; L155-C158 PolarHBondContact O-N 3.21Å; L155-C158 VanDerWaalsContact O-N 3.1Å; L155-L159 HydrophobicContact CD2-CD1 3.63Å; L155-L159 HydrophobicContact CD2-CG 4.04Å; L155-L159 PolarHBondContact O-N 3.22Å; L155-L159 VanDerWaalsContact O-N 3.14Å
156A70.5Confident65.8Low60 Ų6083.6 Ų83.650%0.49647%0.469SS..Hα-helixtrans-57.1-36.9172.900000113.5P154 C158 L159 Q160P154-A156 PolarHBondContact O-N 2.8Å; P154-A156 VanDerWaalsContact O-N 3.15Å; A156-C158 VanDerWaalsContact C-N 3.28Å; A156-C158 PolarHBondContact O-N 3.35Å; A156-L159 PolarHBondContact O-N 3.44Å; A156-L159 VanDerWaalsContact O-N 3.14Å; A156-Q160 WeakPolarHBondContact O-CG 3.49Å; A156-Q160 PolarHBondContact O-N 2.83Å
157S70.2Confident64Low35 Ų3583.9 Ų83.925%0.24546%0.462CS..Hα-helixtrans-68.3-28.5178.3-54.40000112.4R106 P154 L155R106-S157 PolarHBondContact NH2-O 3.44Å; P154-S157 WeakPolarHBondContact O-CB 3.15Å; P154-S157 PolarHBondContact O-N 3.39Å; L155-S157 VanDerWaalsContact C-N 3.3Å; L155-S157 PolarHBondContact O-N 2.99Å
158C72.6Confident62.2Low1 Ų180.8 Ų80.81%0.00744%0.444CS..Hα-helixtrans-74.8-33.5172.1-610000111.9F84 L155 A156F84-C158 HydrophobicContact CB-CB 4.05Å; F84-C158 HydrophobicContact CD1-CB 3.98Å; F84-C158 HydrophobicContact CD2-CB 3.8Å; F84-C158 HydrophobicContact CE1-CB 4.44Å; F84-C158 HydrophobicContact CE2-CB 4.29Å; F84-C158 HydrophobicContact CG-CB 3.64Å; L155-C158 WeakPolarHBondContact O-CB 3.31Å; L155-C158 PolarHBondContact O-N 3.21Å; L155-C158 VanDerWaalsContact O-N 3.1Å; A156-C158 VanDerWaalsContact C-N 3.28Å; A156-C158 PolarHBondContact O-N 3.35Å
159L67.3Low60.7Low95 Ų9579.2 Ų79.250%0.49744%0.438SS..Hα-helixtrans-77.2-33-179.4-72.8172.1000114F84 L155 A156 E161F84-L159 HydrophobicContact CE1-CD2 4.47Å; F84-L159 HydrophobicContact CE2-CD2 3.97Å; F84-L159 HydrophobicContact CE2-CG 4.27Å; F84-L159 HydrophobicContact CZ-CD2 3.47Å; F84-L159 VanDerWaalsContact CZ-CD2 3.47Å; F84-L159 HydrophobicContact CZ-CG 4.14Å; L155-L159 HydrophobicContact CD2-CD1 3.63Å; L155-L159 HydrophobicContact CD2-CG 4.04Å; L155-L159 PolarHBondContact O-N 3.22Å; L155-L159 VanDerWaalsContact O-N 3.14Å; A156-L159 PolarHBondContact O-N 3.44Å; A156-L159 VanDerWaalsContact O-N 3.14Å; L159-E161 VanDerWaalsContact C-N 3.35Å; L159-E161 PolarHBondContact O-N 3Å
160Q52.3Low59.7Low127 Ų12782.4 Ų82.459%0.59345%0.45SS*.  trans-49.895-176.3-85.5-179.2-1.800111.4R106 A156R106-Q160 PolarHBondContact NH1-O 3.33Å; R106-Q160 PolarHBondContact NH2-O 3.36Å; A156-Q160 WeakPolarHBondContact O-CG 3.49Å; A156-Q160 PolarHBondContact O-N 2.83Å
161E44.2Very low58.8Low89 Ų8984.3 Ų84.342%0.41646%0.461SS..  trans-76.6120.9158.5-67.8-159.8155.600105.7K104 L159 R163K104-E161 VanDerWaalsContact NZ-CG 3.32Å; K104-E161 IonicContact NZ-OE1 2.76Å; K104-E161 PolarHBondContact NZ-OE1 3.01Å; L159-E161 VanDerWaalsContact C-N 3.35Å; L159-E161 PolarHBondContact O-N 3Å; E161-R163 HydrophobicContact CB-CB 4.17Å; E161-R163 HydrophobicContact CB-CG 4.19Å; E161-R163 PolarHBondContact O-N 3.19Å; E161-R163 IonicContact OE1-NH1 3.97Å; E161-R163 PolarHBondContact OE1-NH1 3.35Å; E161-R163 WeakPolarHBondContact OE2-CD 3.42Å; E161-R163 IonicContact OE2-CZ 3.08Å; E161-R163 IonicContact OE2-NE 2.77Å; E161-R163 IonicContact OE2-NH1 2.73Å; E161-R163 PolarHBondContact OE2-NH1 3.45Å
162V39Very low58.3Low140 Ų14085.9 Ų85.985%0.84847%0.468SS*.  trans-68.680.3158.7-177.50000105
163R38.2Very low58.2Low176 Ų17684 Ų8466%0.66445%0.45SS*.  trans-138.3131.3171.6-76.7-169-177.6148-11.2108.6E161 N165E161-R163 HydrophobicContact CB-CB 4.17Å; E161-R163 HydrophobicContact CB-CG 4.19Å; E161-R163 PolarHBondContact O-N 3.19Å; E161-R163 IonicContact OE1-NH1 3.97Å; E161-R163 PolarHBondContact OE1-NH1 3.35Å; E161-R163 WeakPolarHBondContact OE2-CD 3.42Å; E161-R163 IonicContact OE2-CZ 3.08Å; E161-R163 IonicContact OE2-NE 2.77Å; E161-R163 IonicContact OE2-NH1 2.73Å; E161-R163 PolarHBondContact OE2-NH1 3.45Å; R163-N165 PolarHBondContact O-N 3.36Å
164P34.9Very low58.2Low127 Ų12788.6 Ų88.683%0.82547%0.469SS*.  trans-89.313.7-165.133.7-30.6000115.1
165N38.6Very low58.3Low123 Ų12388.3 Ų88.366%0.65846%0.462SS*.SBendtrans-114.8121179.8-87.40.2000112R163 C167R163-N165 PolarHBondContact O-N 3.36Å; N165-C167 PolarHBondContact O-N 3.12Å
166P38.2Very low58.8Low82 Ų8286.4 Ų86.453%0.53245%0.452SS..  trans-67.3119.4-177.227.3-31.4000110.3V169P166-V169 HydrophobicContact CB-CG2 4.38Å
167C47.2Very low59.3Low56 Ų5690.3 Ų90.338%0.37846%0.458SS..  trans-64.5165.5163.3-97.60000109.6N165 V169 K202N165-C167 PolarHBondContact O-N 3.12Å; C167-V169 VanDerWaalsContact C-N 3.32Å; C167-V169 WeakPolarHBondContact O-CG2 3.41Å; C167-V169 PolarHBondContact O-N 3.04Å; C167-K202 PolarHBondContact SG-NZ 3.01Å
168W51.2Low59.8Low25 Ų2594.8 Ų94.810%0.09548%0.475CS..SBendtrans-46.696.2162.2-165.5-44.4000111.6K173 I200 D205 F209W168-K173 VanDerWaalsContact CD1-CE 3.47Å; W168-K173 HydrophobicContact CG-CG 4.41Å; W168-I200 HydrophobicContact CD2-CD1 4.47Å; W168-I200 HydrophobicContact CD2-CG1 4.42Å; W168-I200 HydrophobicContact CE3-CB 4.45Å; W168-I200 HydrophobicContact CE3-CD1 3.57Å; W168-I200 HydrophobicContact CE3-CG1 3.6Å; W168-I200 HydrophobicContact CE3-CG2 3.96Å; W168-I200 HydrophobicContact CH2-CD1 3.69Å; W168-I200 HydrophobicContact CZ3-CD1 3.1Å; W168-I200 HydrophobicContact CZ3-CG1 3.7Å; W168-I200 HydrophobicContact CZ3-CG2 4.15Å; W168-D205 HydrophobicContact CB-CB 4.2Å; W168-D205 HydrophobicContact CE3-CB 3.7Å; W168-D205 VanDerWaalsContact CE3-O 3.3Å; W168-D205 VanDerWaalsContact CZ3-C 3.47Å; W168-D205 HydrophobicContact CZ3-CB 4.42Å; W168-D205 WeakPolarHBondContact CZ3-O 3.45Å; W168-D205 PolarHBondContact N-OD2 3.45Å; W168-F209 HydrophobicContact CH2-CB 3.2Å; W168-F209 AromaticContact CH2-CD2 3.37Å; W168-F209 HydrophobicContact CH2-CD2 3.37Å; W168-F209 HydrophobicContact CH2-CE2 4.43Å; W168-F209 AromaticContact CH2-CG 3.57Å; W168-F209 HydrophobicContact CH2-CG 3.57Å; W168-F209 HydrophobicContact CZ2-CB 4.42Å; W168-F209 HydrophobicContact CZ2-CD2 4.01Å; W168-F209 HydrophobicContact CZ3-CB 3.5Å; W168-F209 VanDerWaalsContact CZ3-CB 3.5Å; W168-F209 HydrophobicContact CZ3-CD2 4.26Å; W168-F209 HydrophobicContact CZ3-CG 4.08Å
169V57.7Low60.3Low56 Ų5699.9 Ų99.934%0.33950%0.499SS..  trans-73.3151.1-168-167.40000109P166 C167 E171 L172 K173P166-V169 HydrophobicContact CB-CG2 4.38Å; C167-V169 VanDerWaalsContact C-N 3.32Å; C167-V169 WeakPolarHBondContact O-CG2 3.41Å; C167-V169 PolarHBondContact O-N 3.04Å; V169-E171 HydrophobicContact CB-CB 4.41Å; V169-E171 HydrophobicContact CG1-CB 4.07Å; V169-E171 HydrophobicContact CG1-CG 4.3Å; V169-E171 PolarHBondContact O-N 3.45Å; V169-E171 VanDerWaalsContact O-N 3.12Å; V169-L172 PolarHBondContact O-N 3.24Å; V169-K173 PolarHBondContact O-N 3.17Å
170H64.8Low61.1Low154 Ų15496.7 Ų96.771%0.71348%0.48SS*.Hα-helixtrans-49.3-33.7167.2-177.7-81.7000112.2K174H170-K174 VanDerWaalsContact O-CB 3.28Å; H170-K174 WeakPolarHBondContact O-CB 3.48Å; H170-K174 PolarHBondContact O-N 3.31Å
171E65.9Low62.6Low147 Ų14797.7 Ų97.769%0.68749%0.485SS*.Hα-helixtrans-66.5-45.3174.9-70175.4179.100113V169 K174 L175V169-E171 HydrophobicContact CB-CB 4.41Å; V169-E171 HydrophobicContact CG1-CB 4.07Å; V169-E171 HydrophobicContact CG1-CG 4.3Å; V169-E171 PolarHBondContact O-N 3.45Å; V169-E171 VanDerWaalsContact O-N 3.12Å; E171-K174 WeakPolarHBondContact O-CB 3.39Å; E171-K174 PolarHBondContact O-N 2.98Å; E171-L175 WeakPolarHBondContact O-CB 3.43Å; E171-L175 PolarHBondContact O-N 3.42Å
172L69.2Low64.5Low51 Ų5194.7 Ų94.727%0.26747%0.474SS..Hα-helixtrans-64.9-39.7174.4-73.4173.8000111.5V169 K174 L175 F176 S199V169-L172 PolarHBondContact O-N 3.24Å; L172-K174 VanDerWaalsContact C-N 3.3Å; L172-K174 PolarHBondContact O-N 3.08Å; L172-L175 PolarHBondContact O-N 2.88Å; L172-F176 WeakPolarHBondContact O-CB 3.3Å; L172-F176 PolarHBondContact O-N 3.37Å; L172-S199 WeakPolarHBondContact CD1-OG 3.25Å
173K73.8Confident66.9Low79 Ų7991.6 Ų91.634%0.34345%0.45SS..Hα-helixtrans-60.2-41.1171.6-72.2-167.9178.7-167.30111.9W168 V169 K177W168-K173 VanDerWaalsContact CD1-CE 3.47Å; W168-K173 HydrophobicContact CG-CG 4.41Å; V169-K173 PolarHBondContact O-N 3.17Å; K173-K177 WeakPolarHBondContact O-CB 3.44Å; K173-K177 VanDerWaalsContact O-CG 3.3Å; K173-K177 WeakPolarHBondContact O-CG 3.48Å; K173-K177 PolarHBondContact O-N 3.33Å
174K77.4Confident69.3Low115 Ų11583.2 Ų83.250%0.542%0.419SS..Hα-helixtrans-65.1-47.7178.4-177178.7171.1-176.70110.6H170 E171 L172 K177 E178H170-K174 VanDerWaalsContact O-CB 3.28Å; H170-K174 WeakPolarHBondContact O-CB 3.48Å; H170-K174 PolarHBondContact O-N 3.31Å; E171-K174 WeakPolarHBondContact O-CB 3.39Å; E171-K174 PolarHBondContact O-N 2.98Å; L172-K174 VanDerWaalsContact C-N 3.3Å; L172-K174 PolarHBondContact O-N 3.08Å; K174-K177 PolarHBondContact O-N 2.85Å; K174-E178 WeakPolarHBondContact CE-OE1 3.43Å; K174-E178 HydrophobicContact CG-CG 4.49Å; K174-E178 WeakPolarHBondContact CG-OE1 3.37Å; K174-E178 IonicContact NZ-OE1 3.9Å; K174-E178 WeakPolarHBondContact O-CB 3.25Å; K174-E178 VanDerWaalsContact O-CG 3.29Å; K174-E178 WeakPolarHBondContact O-CG 3.46Å; K174-E178 PolarHBondContact O-N 3.22Å
175L78Confident71.9Confident70 Ų7079.3 Ų79.337%0.36640%0.397SS..Hα-helixtrans-64-41.4178.6-169.7136.3000112.1E171 L172 E178 Q179 F192 M196E171-L175 WeakPolarHBondContact O-CB 3.43Å; E171-L175 PolarHBondContact O-N 3.42Å; L172-L175 PolarHBondContact O-N 2.88Å; L175-E178 PolarHBondContact O-N 3.04Å; L175-Q179 PolarHBondContact O-N 3.4Å; L175-Q179 VanDerWaalsContact O-N 3.09Å; L175-F192 HydrophobicContact CD2-CE2 3.59Å; L175-F192 HydrophobicContact CD2-CZ 3.88Å; L175-M196 HydrophobicContact CD2-SD 4.42Å
176F83.8Confident74.4Confident6 Ų678.4 Ų78.43%0.02639%0.392CS..Hα-helixtrans-57-52.2170.8178.3-93.7000110.9L172 E178 Q179 W180 L193 M196 F209 E212 I213L172-F176 WeakPolarHBondContact O-CB 3.3Å; L172-F176 PolarHBondContact O-N 3.37Å; F176-E178 VanDerWaalsContact C-N 3.26Å; F176-E178 PolarHBondContact O-N 3.17Å; F176-Q179 PolarHBondContact O-N 2.86Å; F176-W180 HydrophobicContact CD1-CB 4.24Å; F176-W180 HydrophobicContact CD2-CB 4.22Å; F176-W180 HydrophobicContact CE1-CB 3.98Å; F176-W180 AromaticContact CE1-CD1 3.6Å; F176-W180 AromaticContact CE1-CG 3.9Å; F176-W180 HydrophobicContact CE1-CG 3.9Å; F176-W180 HydrophobicContact CE2-CB 3.94Å; F176-W180 HydrophobicContact CE2-CD2 4.26Å; F176-W180 AromaticContact CE2-CG 3.89Å; F176-W180 HydrophobicContact CE2-CG 3.89Å; F176-W180 HydrophobicContact CG-CB 4.35Å; F176-W180 HydrophobicContact CZ-CB 3.82Å; F176-W180 AromaticContact CZ-CD1 3.38Å; F176-W180 HydrophobicContact CZ-CD2 4.04Å; F176-W180 AromaticContact CZ-CG 3.47Å; F176-W180 HydrophobicContact CZ-CG 3.47Å; F176-W180 VanDerWaalsContact CZ-CG 3.47Å; F176-W180 AromaticContact CZ-NE1 3.84Å; F176-W180 WeakPolarHBondContact O-CB 3.28Å; F176-W180 PolarHBondContact O-N 3Å; F176-L193 HydrophobicContact CE2-CD2 4.05Å; F176-M196 HydrophobicContact CB-SD 4.07Å; F176-M196 HydrophobicContact CD2-CE 3.61Å; F176-M196 HydrophobicContact CD2-SD 3.94Å; F176-M196 HydrophobicContact CE2-CE 4.25Å; F176-F209 HydrophobicContact CD2-CE2 4.16Å; F176-F209 HydrophobicContact CE2-CD2 4.32Å; F176-F209 AromaticContact CE2-CE2 4Å; F176-F209 HydrophobicContact CE2-CE2 4Å; F176-E212 HydrophobicContact CE1-CB 3.76Å; F176-E212 HydrophobicContact CZ-CB 3.95Å; F176-I213 HydrophobicContact CE2-CD1 4.45Å; F176-I213 HydrophobicContact CE2-CG1 3.91Å; F176-I213 HydrophobicContact CZ-CG1 3.93Å
177K81.5Confident77Confident142 Ų14279.4 Ų79.462%0.61739%0.389SS*.Hα-helixtrans-64.3-27.6179.9-74-176.5179.5-1640114.2K173 K174K173-K177 WeakPolarHBondContact O-CB 3.44Å; K173-K177 VanDerWaalsContact O-CG 3.3Å; K173-K177 WeakPolarHBondContact O-CG 3.48Å; K173-K177 PolarHBondContact O-N 3.33Å; K174-K177 PolarHBondContact O-N 2.85Å
178E81Confident79Confident129 Ų12984.3 Ų84.360%0.60341%0.407SS*.Hα-helixtrans-77.5-32.2177.4-76.3172.5177.500112.6K174 L175 F176K174-E178 WeakPolarHBondContact CE-OE1 3.43Å; K174-E178 HydrophobicContact CG-CG 4.49Å; K174-E178 WeakPolarHBondContact CG-OE1 3.37Å; K174-E178 IonicContact NZ-OE1 3.9Å; K174-E178 WeakPolarHBondContact O-CB 3.25Å; K174-E178 VanDerWaalsContact O-CG 3.29Å; K174-E178 WeakPolarHBondContact O-CG 3.46Å; K174-E178 PolarHBondContact O-N 3.22Å; L175-E178 PolarHBondContact O-N 3.04Å; F176-E178 VanDerWaalsContact C-N 3.26Å; F176-E178 PolarHBondContact O-N 3.17Å
179Q81.8Confident80.8Confident108 Ų10885 Ų8551%0.50541%0.411SS..Hα-helixtrans-107.7-27-173.8-65.2-166.8-800114.7L175 F176 Q181 F192L175-Q179 PolarHBondContact O-N 3.4Å; L175-Q179 VanDerWaalsContact O-N 3.09Å; F176-Q179 PolarHBondContact O-N 2.86Å; Q179-Q181 PolarHBondContact O-N 3.37Å; Q179-F192 HydrophobicContact CB-CE1 3.85Å; Q179-F192 HydrophobicContact CB-CE2 4.4Å; Q179-F192 HydrophobicContact CB-CZ 3.67Å; Q179-F192 HydrophobicContact CG-CZ 4.36Å; Q179-F192 VanDerWaalsContact OE1-CZ 3.24Å
180W85Confident82.4Confident29 Ų2982.4 Ų82.411%0.1140%0.395CS..  trans-74.7119.2177.5-179.2-119.8000110.6F176 E183 L184 L193 E212 I213F176-W180 HydrophobicContact CD1-CB 4.24Å; F176-W180 HydrophobicContact CD2-CB 4.22Å; F176-W180 HydrophobicContact CE1-CB 3.98Å; F176-W180 AromaticContact CE1-CD1 3.6Å; F176-W180 AromaticContact CE1-CG 3.9Å; F176-W180 HydrophobicContact CE1-CG 3.9Å; F176-W180 HydrophobicContact CE2-CB 3.94Å; F176-W180 HydrophobicContact CE2-CD2 4.26Å; F176-W180 AromaticContact CE2-CG 3.89Å; F176-W180 HydrophobicContact CE2-CG 3.89Å; F176-W180 HydrophobicContact CG-CB 4.35Å; F176-W180 HydrophobicContact CZ-CB 3.82Å; F176-W180 AromaticContact CZ-CD1 3.38Å; F176-W180 HydrophobicContact CZ-CD2 4.04Å; F176-W180 AromaticContact CZ-CG 3.47Å; F176-W180 HydrophobicContact CZ-CG 3.47Å; F176-W180 VanDerWaalsContact CZ-CG 3.47Å; F176-W180 AromaticContact CZ-NE1 3.84Å; F176-W180 WeakPolarHBondContact O-CB 3.28Å; F176-W180 PolarHBondContact O-N 3Å; W180-E183 VanDerWaalsContact CZ3-O 3.27Å; W180-E183 WeakPolarHBondContact CZ3-O 3.45Å; W180-L184 HydrophobicContact CH2-CB 4.23Å; W180-L193 HydrophobicContact CE3-CD1 4.49Å; W180-L193 HydrophobicContact CE3-CD2 4.14Å; W180-L193 HydrophobicContact CH2-CD1 4.4Å; W180-L193 HydrophobicContact CZ3-CD1 3.87Å; W180-L193 HydrophobicContact CZ3-CD2 4.34Å; W180-L193 HydrophobicContact CZ3-CG 4.48Å; W180-E212 PolarHBondContact NE1-O 3.12Å; W180-I213 HydrophobicContact CH2-CG2 4.01Å; W180-I213 HydrophobicContact CZ2-CB 4.36Å; W180-I213 HydrophobicContact CZ2-CG2 3.92Å
181Q82.6Confident83.7Confident147 Ų14779.2 Ų79.269%0.68738%0.383SS*.  trans-105.219.2-177.7-63.3-176.9-6.600112.9Q179 E183Q179-Q181 PolarHBondContact O-N 3.37Å; Q181-E183 PolarHBondContact O-N 2.92Å
182S84.8Confident84.8Confident27 Ų2774.4 Ų74.419%0.18936%0.36CS..SBendtrans61.124.8-173.9-64.10000114.3D216 K218 S219S182-D216 WeakPolarHBondContact CB-O 3.35Å; S182-D216 PolarHBondContact OG-O 3.11Å; S182-K218 PolarHBondContact O-N 3Å; S182-S219 PolarHBondContact O-N 3.43Å
183E88.8Confident85.8Confident75 Ų7572 Ų7235%0.3535%0.347SS..EExtended strand (participates in β ladder)trans-139.9138-178.8178.5164.7-14900111.9W180 Q181 A185 Q189 S219W180-E183 VanDerWaalsContact CZ3-O 3.27Å; W180-E183 WeakPolarHBondContact CZ3-O 3.45Å; Q181-E183 PolarHBondContact O-N 2.92Å; E183-A185 HydrophobicContact CG-CB 4.06Å; E183-Q189 PolarHBondContact O-NE2 3.49Å; E183-Q189 PolarHBondContact O-OE1 2.7Å; E183-S219 VanDerWaalsContact CA-O 3.28Å; E183-S219 WeakPolarHBondContact CA-O 3.31Å; E183-S219 PolarHBondContact OE1-OG 2.92Å; E183-S219 VanDerWaalsContact OE1-OG 3.11Å
184L89.4Confident86.6Confident0 Ų071.2 Ų71.20%034%0.344CS..EExtended strand (participates in β ladder)trans-126.789.9171.2-174.667.1000109.9W180 Q189 L190 L193 S219 L220 D221 L224 L228W180-L184 HydrophobicContact CH2-CB 4.23Å; L184-Q189 HydrophobicContact CD1-CB 3.79Å; L184-L190 HydrophobicContact CD1-CB 4.16Å; L184-L193 HydrophobicContact CD1-CD1 4.07Å; L184-S219 PolarHBondContact N-O 3.41Å; L184-S219 VanDerWaalsContact N-O 3.08Å; L184-L220 HydrophobicContact CB-CD2 3.61Å; L184-D221 WeakPolarHBondContact O-CB 3.35Å; L184-D221 PolarHBondContact O-N 2.71Å; L184-L224 HydrophobicContact CD2-CB 3.85Å; L184-L224 HydrophobicContact CG-CB 3.84Å; L184-L224 HydrophobicContact CG-CD1 4.28Å; L184-L228 HydrophobicContact CD2-CD2 4.2Å
185A88.5Confident87Confident45 Ų4568.1 Ų68.137%0.37235%0.345SS..  trans-122.9-20.4-179.800000113.2E183 L224E183-A185 HydrophobicContact CG-CB 4.06Å; A185-L224 WeakPolarHBondContact O-CD1 3.28Å
186L92.2Very high87.4Confident104 Ų10465.5 Ų65.555%0.54533%0.331SS..SBendtrans-115.5147.1-176-61.7173.5000112E188 Q189 L190L186-E188 PolarHBondContact O-N 3.39Å; L186-Q189 HydrophobicContact CB-CG 4.36Å; L186-Q189 WeakPolarHBondContact O-CB 3.38Å; L186-Q189 PolarHBondContact O-N 3.48Å; L186-Q189 VanDerWaalsContact O-N 3.14Å; L186-L190 PolarHBondContact O-N 2.98Å
187Q91.8Very high87.6Confident103 Ų10365.4 Ų65.448%0.48133%0.331SS..Hα-helixtrans-59.8-34.1177.5-171.666.621.200112.5Q189 L190 D191 L224Q187-Q189 VanDerWaalsContact C-N 3.29Å; Q187-Q189 PolarHBondContact O-N 3.37Å; Q187-L190 WeakPolarHBondContact O-CB 3.46Å; Q187-L190 PolarHBondContact O-N 3.3Å; Q187-L190 VanDerWaalsContact O-N 3.12Å; Q187-D191 PolarHBondContact O-N 2.93Å; Q187-L224 VanDerWaalsContact OE1-CD2 3.28Å
188E89.3Confident87.8Confident159 Ų15963.2 Ų63.274%0.74333%0.329SS*.Hα-helixtrans-60.9-37.7177.5-63179.7178.800112.2L186 D191 F192L186-E188 PolarHBondContact O-N 3.39Å; E188-D191 PolarHBondContact O-N 3.03Å; E188-F192 WeakPolarHBondContact O-CB 3.48Å; E188-F192 PolarHBondContact O-N 2.88Å
189Q89.9Confident87.8Confident40 Ų4058.9 Ų58.919%0.18731%0.313CS..Hα-helixtrans-67.7-40.1175.9-64.7169.7-3800110.7E183 L184 L186 Q187 F192 L193E183-Q189 PolarHBondContact O-NE2 3.49Å; E183-Q189 PolarHBondContact O-OE1 2.7Å; L184-Q189 HydrophobicContact CD1-CB 3.79Å; L186-Q189 HydrophobicContact CB-CG 4.36Å; L186-Q189 WeakPolarHBondContact O-CB 3.38Å; L186-Q189 PolarHBondContact O-N 3.48Å; L186-Q189 VanDerWaalsContact O-N 3.14Å; Q187-Q189 VanDerWaalsContact C-N 3.29Å; Q187-Q189 PolarHBondContact O-N 3.37Å; Q189-F192 WeakPolarHBondContact O-CB 3.16Å; Q189-F192 PolarHBondContact O-N 3.36Å; Q189-L193 WeakPolarHBondContact O-CG 3.42Å; Q189-L193 PolarHBondContact O-N 3.06Å
190L91Very high88Confident1 Ų154 Ų541%0.00529%0.29CS..Hα-helixtrans-62.5-46.6175.6176.661.5000111.5L184 L186 Q187 F192 L193 K194 L224 A227 L228L184-L190 HydrophobicContact CD1-CB 4.16Å; L186-L190 PolarHBondContact O-N 2.98Å; Q187-L190 WeakPolarHBondContact O-CB 3.46Å; Q187-L190 PolarHBondContact O-N 3.3Å; Q187-L190 VanDerWaalsContact O-N 3.12Å; L190-F192 VanDerWaalsContact C-N 3.31Å; L190-F192 PolarHBondContact O-N 2.91Å; L190-L193 PolarHBondContact O-N 3.48Å; L190-K194 HydrophobicContact CD1-CD 4.47Å; L190-K194 HydrophobicContact CD1-CG 4.34Å; L190-K194 HydrophobicContact CG-CD 4.31Å; L190-K194 WeakPolarHBondContact O-CG 3.45Å; L190-K194 PolarHBondContact O-N 3.38Å; L190-L224 HydrophobicContact CD2-CD2 3.88Å; L190-A227 HydrophobicContact CD2-CB 3.83Å; L190-L228 HydrophobicContact CD1-CB 3.65Å; L190-L228 HydrophobicContact CD1-CD1 4.06Å; L190-L228 HydrophobicContact CD1-CG 4.4Å
191D91.4Very high87.7Confident86 Ų8656.9 Ų56.946%0.4631%0.305SS..Hα-helixtrans-65-36.5179.5-67.8-26000111.6Q187 E188 K194 G195Q187-D191 PolarHBondContact O-N 2.93Å; E188-D191 PolarHBondContact O-N 3.03Å; D191-K194 PolarHBondContact O-N 2.66Å; D191-G195 PolarHBondContact O-N 3.05Å
192F90.1Very high87.7Confident47 Ų4754.2 Ų54.221%0.20629%0.291CS..Hα-helixtrans-59.3-50.1170.7167.6-114.6000112.4L175 Q179 E188 Q189 L190 K194 G195 M196L175-F192 HydrophobicContact CD2-CE2 3.59Å; L175-F192 HydrophobicContact CD2-CZ 3.88Å; Q179-F192 HydrophobicContact CB-CE1 3.85Å; Q179-F192 HydrophobicContact CB-CE2 4.4Å; Q179-F192 HydrophobicContact CB-CZ 3.67Å; Q179-F192 HydrophobicContact CG-CZ 4.36Å; Q179-F192 VanDerWaalsContact OE1-CZ 3.24Å; E188-F192 WeakPolarHBondContact O-CB 3.48Å; E188-F192 PolarHBondContact O-N 2.88Å; Q189-F192 WeakPolarHBondContact O-CB 3.16Å; Q189-F192 PolarHBondContact O-N 3.36Å; L190-F192 VanDerWaalsContact C-N 3.31Å; L190-F192 PolarHBondContact O-N 2.91Å; F192-K194 PolarHBondContact O-N 3.25Å; F192-G195 PolarHBondContact O-N 3.47Å; F192-M196 HydrophobicContact CD1-CE 3.7Å; F192-M196 HydrophobicContact CD2-CE 4.35Å; F192-M196 HydrophobicContact CE1-CE 3.18Å; F192-M196 HydrophobicContact CE1-SD 3.98Å; F192-M196 HydrophobicContact CE2-CE 3.87Å; F192-M196 HydrophobicContact CE2-CG 4.06Å; F192-M196 HydrophobicContact CE2-SD 3.79Å; F192-M196 HydrophobicContact CG-CE 4.27Å; F192-M196 HydrophobicContact CZ-CE 3.28Å; F192-M196 HydrophobicContact CZ-CG 4.27Å; F192-M196 HydrophobicContact CZ-SD 3.4Å; F192-M196 WeakPolarHBondContact CZ-SD 3.41Å; F192-M196 PolarHBondContact O-N 3.05Å
193L90.2Very high87.7Confident0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-62.7-41177.6-67.2-179.5000111.9F176 W180 L184 Q189 L190 G195 M196 L197 F209 I213 L228F176-L193 HydrophobicContact CE2-CD2 4.05Å; W180-L193 HydrophobicContact CE3-CD1 4.49Å; W180-L193 HydrophobicContact CE3-CD2 4.14Å; W180-L193 HydrophobicContact CH2-CD1 4.4Å; W180-L193 HydrophobicContact CZ3-CD1 3.87Å; W180-L193 HydrophobicContact CZ3-CD2 4.34Å; W180-L193 HydrophobicContact CZ3-CG 4.48Å; L184-L193 HydrophobicContact CD1-CD1 4.07Å; Q189-L193 WeakPolarHBondContact O-CG 3.42Å; Q189-L193 PolarHBondContact O-N 3.06Å; L190-L193 PolarHBondContact O-N 3.48Å; L193-G195 VanDerWaalsContact C-N 3.34Å; L193-G195 PolarHBondContact O-N 3.38Å; L193-M196 HydrophobicContact CD2-CE 3.41Å; L193-M196 VanDerWaalsContact CD2-CE 3.41Å; L193-M196 HydrophobicContact CG-CE 4.46Å; L193-M196 PolarHBondContact O-N 2.92Å; L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 PolarHBondContact O-N 3.36Å; L193-F209 HydrophobicContact CB-CZ 4.16Å; L193-F209 HydrophobicContact CD2-CE2 4.19Å; L193-F209 HydrophobicContact CD2-CZ 4.04Å; L193-I213 HydrophobicContact CD1-CD1 4.11Å; L193-I213 HydrophobicContact CD2-CD1 3.97Å; L193-I213 HydrophobicContact CD2-CG1 4.39Å; L193-L228 HydrophobicContact CB-CD1 3.86Å; L193-L228 HydrophobicContact CD1-CD1 4.26Å; L193-L228 HydrophobicContact CD1-CD2 3.68Å
194K90.5Very high87.5Confident63 Ų6356 Ų5627%0.27429%0.294SS..Hα-helixtrans-61.5-41.3174.1-73.1-179.4-175.6-165.10111.8L190 D191 F192 M196 L197 V198 S231L190-K194 HydrophobicContact CD1-CD 4.47Å; L190-K194 HydrophobicContact CD1-CG 4.34Å; L190-K194 HydrophobicContact CG-CD 4.31Å; L190-K194 WeakPolarHBondContact O-CG 3.45Å; L190-K194 PolarHBondContact O-N 3.38Å; D191-K194 PolarHBondContact O-N 2.66Å; F192-K194 PolarHBondContact O-N 3.25Å; K194-M196 VanDerWaalsContact C-N 3.34Å; K194-M196 PolarHBondContact O-N 2.84Å; K194-L197 WeakPolarHBondContact O-CB 3.36Å; K194-L197 PolarHBondContact O-N 3.01Å; K194-V198 WeakPolarHBondContact O-CG2 3.16Å; K194-V198 PolarHBondContact O-N 2.79Å; K194-S231 WeakPolarHBondContact CE-OG 3.4Å; K194-S231 PolarHBondContact NZ-OG 3.26Å
195G86.2Confident87.3Confident50 Ų5057.1 Ų57.152%0.51530%0.3SS..Hα-helixtrans-59.9-42.217500000112.6D191 F192 L193D191-G195 PolarHBondContact O-N 3.05Å; F192-G195 PolarHBondContact O-N 3.47Å; L193-G195 VanDerWaalsContact C-N 3.34Å; L193-G195 PolarHBondContact O-N 3.38Å
196M86.3Confident87.3Confident15 Ų1555 Ų557%0.07428%0.282CS..Hα-helixtrans-67.8-41.2174.2-72.8-172-64.900112.5L175 F176 F192 L193 K194 V198 S199 F209L175-M196 HydrophobicContact CD2-SD 4.42Å; F176-M196 HydrophobicContact CB-SD 4.07Å; F176-M196 HydrophobicContact CD2-CE 3.61Å; F176-M196 HydrophobicContact CD2-SD 3.94Å; F176-M196 HydrophobicContact CE2-CE 4.25Å; F192-M196 HydrophobicContact CD1-CE 3.7Å; F192-M196 HydrophobicContact CD2-CE 4.35Å; F192-M196 HydrophobicContact CE1-CE 3.18Å; F192-M196 HydrophobicContact CE1-SD 3.98Å; F192-M196 HydrophobicContact CE2-CE 3.87Å; F192-M196 HydrophobicContact CE2-CG 4.06Å; F192-M196 HydrophobicContact CE2-SD 3.79Å; F192-M196 HydrophobicContact CG-CE 4.27Å; F192-M196 HydrophobicContact CZ-CE 3.28Å; F192-M196 HydrophobicContact CZ-CG 4.27Å; F192-M196 HydrophobicContact CZ-SD 3.4Å; F192-M196 WeakPolarHBondContact CZ-SD 3.41Å; F192-M196 PolarHBondContact O-N 3.05Å; L193-M196 HydrophobicContact CD2-CE 3.41Å; L193-M196 VanDerWaalsContact CD2-CE 3.41Å; L193-M196 HydrophobicContact CG-CE 4.46Å; L193-M196 PolarHBondContact O-N 2.92Å; K194-M196 VanDerWaalsContact C-N 3.34Å; K194-M196 PolarHBondContact O-N 2.84Å; M196-V198 VanDerWaalsContact C-N 3.27Å; M196-V198 PolarHBondContact O-N 2.85Å; M196-S199 WeakPolarHBondContact O-CB 3.32Å; M196-S199 PolarHBondContact O-N 3.12Å; M196-S199 PolarHBondContact O-OG 3.28Å; M196-F209 HydrophobicContact CB-CE2 4.4Å; M196-F209 HydrophobicContact CB-CZ 4.34Å; M196-F209 HydrophobicContact CE-CE2 4.04Å; M196-F209 HydrophobicContact CE-CZ 4.35Å
197L87.4Confident87.1Confident4 Ų452.7 Ų52.72%0.02127%0.269CS..Hα-helixtrans-53.1-44.5178.8-179.764.6000112.2L193 K194 S199 I200 F209 S231 I232 H235L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 PolarHBondContact O-N 3.36Å; K194-L197 WeakPolarHBondContact O-CB 3.36Å; K194-L197 PolarHBondContact O-N 3.01Å; L197-S199 PolarHBondContact O-N 3.43Å; L197-S199 VanDerWaalsContact O-N 3.13Å; L197-I200 PolarHBondContact O-N 2.97Å; L197-F209 HydrophobicContact CB-CE1 4.16Å; L197-F209 HydrophobicContact CD1-CD1 4.22Å; L197-F209 HydrophobicContact CD1-CE1 4.2Å; L197-S231 WeakPolarHBondContact CD2-O 3.31Å; L197-I232 HydrophobicContact CD1-CG1 4.05Å; L197-I232 HydrophobicContact CD2-CB 4.4Å; L197-I232 HydrophobicContact CD2-CG1 3.84Å; L197-H235 HydrophobicContact CD1-CB 4.32Å; L197-H235 HydrophobicContact CD2-CB 3.8Å; L197-H235 HydrophobicContact CG-CB 3.93Å; L197-H235 PolarHBondContact O-CE1 2.78Å; L197-H235 PolarHBondContact O-NE2 3.39Å
198V85.5Confident86.8Confident95 Ų9550.6 Ų50.658%0.57626%0.261SS*.Hα-helixtrans-58.5-28.9179.7174.70000112.6K194 M196 I200 H201K194-V198 WeakPolarHBondContact O-CG2 3.16Å; K194-V198 PolarHBondContact O-N 2.79Å; M196-V198 VanDerWaalsContact C-N 3.27Å; M196-V198 PolarHBondContact O-N 2.85Å; V198-I200 VanDerWaalsContact C-N 3.31Å; V198-I200 PolarHBondContact O-N 3.47Å; V198-H201 PolarHBondContact O-CE1 3.09Å; V198-H201 VanDerWaalsContact O-CE1 3.31Å
199S81.9Confident86.8Confident39 Ų3943 Ų4327%0.27323%0.225SC..THydrogen-bonded Turntrans-79.7-9.4179.474.80000114.5L172 M196 L197L172-S199 WeakPolarHBondContact CD1-OG 3.25Å; M196-S199 WeakPolarHBondContact O-CB 3.32Å; M196-S199 PolarHBondContact O-N 3.12Å; M196-S199 PolarHBondContact O-OG 3.28Å; L197-S199 PolarHBondContact O-N 3.43Å; L197-S199 VanDerWaalsContact O-N 3.13Å
200I84.1Confident86.7Confident4 Ų441.1 Ų41.12%0.02122%0.216CC..  trans-96.8123.5-175.6-60.6159.4000109.5W168 L197 V198 D205 I206 F209 H235W168-I200 HydrophobicContact CD2-CD1 4.47Å; W168-I200 HydrophobicContact CD2-CG1 4.42Å; W168-I200 HydrophobicContact CE3-CB 4.45Å; W168-I200 HydrophobicContact CE3-CD1 3.57Å; W168-I200 HydrophobicContact CE3-CG1 3.6Å; W168-I200 HydrophobicContact CE3-CG2 3.96Å; W168-I200 HydrophobicContact CH2-CD1 3.69Å; W168-I200 HydrophobicContact CZ3-CD1 3.1Å; W168-I200 HydrophobicContact CZ3-CG1 3.7Å; W168-I200 HydrophobicContact CZ3-CG2 4.15Å; L197-I200 PolarHBondContact O-N 2.97Å; V198-I200 VanDerWaalsContact C-N 3.31Å; V198-I200 PolarHBondContact O-N 3.47Å; I200-D205 HydrophobicContact CG2-CB 3.68Å; I200-I206 HydrophobicContact CB-CG1 4.43Å; I200-I206 HydrophobicContact CG2-CG1 3.56Å; I200-F209 HydrophobicContact CD1-CB 4.41Å; I200-F209 HydrophobicContact CD1-CD1 4.33Å; I200-F209 HydrophobicContact CD1-CD2 4.36Å; I200-F209 HydrophobicContact CD1-CG 4.12Å; I200-H235 PolarHBondContact O-NE2 2.77Å
201H80.5Confident86.5Confident90 Ų9044.1 Ų44.142%0.41723%0.232SC..  trans-120.65.4-173.3-58.5-49.8000115V198V198-H201 PolarHBondContact O-CE1 3.09Å; V198-H201 VanDerWaalsContact O-CE1 3.31Å
202K82.4Confident86.2Confident91 Ų9142.8 Ų42.840%0.39622%0.223SC..SBendtrans-123.4142.3-179.7-67.3-175.6175.9-175.20110.7C167 K204 D205 I206C167-K202 PolarHBondContact SG-NZ 3.01Å; K202-K204 PolarHBondContact O-N 2.93Å; K202-D205 HydrophobicContact CB-CB 4.05Å; K202-D205 WeakPolarHBondContact O-CB 3.16Å; K202-D205 PolarHBondContact O-N 3.16Å; K202-I206 PolarHBondContact O-N 2.7Å
203A85.2Confident86.1Confident1 Ų140.6 Ų40.61%0.00821%0.213CC..Hα-helixtrans-61.2-47.2-176.700000112.2D205 I206 E207 E242 Q245 L246 I249A203-D205 PolarHBondContact O-N 3.05Å; A203-I206 WeakPolarHBondContact O-CA 3.41Å; A203-I206 WeakPolarHBondContact O-CB 3.19Å; A203-I206 PolarHBondContact O-N 2.83Å; A203-E207 PolarHBondContact O-N 2.84Å; A203-E242 HydrophobicContact CB-CB 4.43Å; A203-E242 WeakPolarHBondContact CB-OE2 3.43Å; A203-E242 PolarHBondContact N-OE2 3.35Å; A203-Q245 HydrophobicContact CB-CB 3.7Å; A203-L246 HydrophobicContact CB-CD2 3.86Å; A203-L246 HydrophobicContact CB-CG 4.21Å; A203-I249 HydrophobicContact CB-CD1 3.79Å; A203-I249 VanDerWaalsContact O-CD1 3.29Å; A203-I249 WeakPolarHBondContact O-CD1 3.47Å
204K84.1Confident86.1Confident140 Ų14041.3 Ų41.361%0.60922%0.217SC*.Hα-helixtrans-57.9-35.5178.1-68.4-174.1175.5-173.40113.8K202 E207 I208K202-K204 PolarHBondContact O-N 2.93Å; K204-E207 PolarHBondContact O-N 3.03Å; K204-I208 VanDerWaalsContact O-CG1 3.31Å; K204-I208 WeakPolarHBondContact O-CG1 3.48Å; K204-I208 PolarHBondContact O-N 3.02Å; K204-I208 VanDerWaalsContact O-N 3.14Å
205D85.2Confident85.8Confident22 Ų2242.2 Ų42.212%0.11823%0.23CC..Hα-helixtrans-69-43.8179.6-83.3-11.6000108.4W168 I200 K202 A203 E207 I208 F209W168-D205 HydrophobicContact CB-CB 4.2Å; W168-D205 HydrophobicContact CE3-CB 3.7Å; W168-D205 VanDerWaalsContact CE3-O 3.3Å; W168-D205 VanDerWaalsContact CZ3-C 3.47Å; W168-D205 HydrophobicContact CZ3-CB 4.42Å; W168-D205 WeakPolarHBondContact CZ3-O 3.45Å; W168-D205 PolarHBondContact N-OD2 3.45Å; I200-D205 HydrophobicContact CG2-CB 3.68Å; K202-D205 HydrophobicContact CB-CB 4.05Å; K202-D205 WeakPolarHBondContact O-CB 3.16Å; K202-D205 PolarHBondContact O-N 3.16Å; A203-D205 PolarHBondContact O-N 3.05Å; D205-E207 VanDerWaalsContact C-N 3.34Å; D205-E207 PolarHBondContact O-N 3.39Å; D205-I208 PolarHBondContact O-N 2.86Å; D205-F209 PolarHBondContact O-N 2.67Å
206I87.9Confident85.4Confident0 Ų044.4 Ų44.40%023%0.23CC..Hα-helixtrans-58.8-41.4172.2-58.9171.2000112I200 K202 A203 I208 F209 M210 I232 I239 L246 I249I200-I206 HydrophobicContact CB-CG1 4.43Å; I200-I206 HydrophobicContact CG2-CG1 3.56Å; K202-I206 PolarHBondContact O-N 2.7Å; A203-I206 WeakPolarHBondContact O-CA 3.41Å; A203-I206 WeakPolarHBondContact O-CB 3.19Å; A203-I206 PolarHBondContact O-N 2.83Å; I206-I208 VanDerWaalsContact C-N 3.34Å; I206-I208 PolarHBondContact O-N 3.33Å; I206-F209 WeakPolarHBondContact O-CA 3.39Å; I206-F209 WeakPolarHBondContact O-CB 3.35Å; I206-F209 PolarHBondContact O-N 3.44Å; I206-F209 VanDerWaalsContact O-N 3.12Å; I206-M210 HydrophobicContact CG2-CG 4.49Å; I206-M210 HydrophobicContact CG2-SD 4.34Å; I206-M210 WeakPolarHBondContact O-CG 3.17Å; I206-M210 PolarHBondContact O-N 3.32Å; I206-I232 HydrophobicContact CG2-CG2 3.89Å; I206-I239 HydrophobicContact CD1-CD1 3.64Å; I206-L246 HydrophobicContact CD1-CD2 4.04Å; I206-I249 HydrophobicContact CB-CD1 4.25Å; I206-I249 HydrophobicContact CG2-CD1 4.43Å; I206-I249 HydrophobicContact CG2-CG2 3.98Å
207E87.9Confident85.4Confident56 Ų5644.3 Ų44.326%0.26223%0.232SC..Hα-helixtrans-59.7-45.2176-67.9-179.6139.800111.8A203 K204 D205 F209 M210 D211 I249A203-E207 PolarHBondContact O-N 2.84Å; K204-E207 PolarHBondContact O-N 3.03Å; D205-E207 VanDerWaalsContact C-N 3.34Å; D205-E207 PolarHBondContact O-N 3.39Å; E207-F209 VanDerWaalsContact C-N 3.25Å; E207-F209 PolarHBondContact O-N 3.15Å; E207-M210 PolarHBondContact O-N 2.93Å; E207-D211 VanDerWaalsContact O-CG 3.3Å; E207-D211 PolarHBondContact O-N 3.4Å; E207-I249 HydrophobicContact CG-CD1 3.7Å; E207-I249 HydrophobicContact CG-CG1 3.78Å
208I85.6Confident85.3Confident60 Ų6052.2 Ų52.231%0.30827%0.266SS..Hα-helixtrans-61.1-36.9175.7-65.6163.9000110.6K204 D205 I206 D211 E212K204-I208 VanDerWaalsContact O-CG1 3.31Å; K204-I208 WeakPolarHBondContact O-CG1 3.48Å; K204-I208 PolarHBondContact O-N 3.02Å; K204-I208 VanDerWaalsContact O-N 3.14Å; D205-I208 PolarHBondContact O-N 2.86Å; I206-I208 VanDerWaalsContact C-N 3.34Å; I206-I208 PolarHBondContact O-N 3.33Å; I208-D211 PolarHBondContact O-N 2.9Å; I208-E212 HydrophobicContact CG2-CG 4.25Å; I208-E212 WeakPolarHBondContact O-CB 3.21Å; I208-E212 VanDerWaalsContact O-CG 3.25Å; I208-E212 WeakPolarHBondContact O-CG 3.48Å; I208-E212 PolarHBondContact O-N 2.79Å
209F88.6Confident85.5Confident0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-57.5-52172.9-162.2-141.8000113W168 F176 L193 M196 L197 I200 D205 I206 E207 D211 E212 I213W168-F209 HydrophobicContact CH2-CB 3.2Å; W168-F209 AromaticContact CH2-CD2 3.37Å; W168-F209 HydrophobicContact CH2-CD2 3.37Å; W168-F209 HydrophobicContact CH2-CE2 4.43Å; W168-F209 AromaticContact CH2-CG 3.57Å; W168-F209 HydrophobicContact CH2-CG 3.57Å; W168-F209 HydrophobicContact CZ2-CB 4.42Å; W168-F209 HydrophobicContact CZ2-CD2 4.01Å; W168-F209 HydrophobicContact CZ3-CB 3.5Å; W168-F209 VanDerWaalsContact CZ3-CB 3.5Å; W168-F209 HydrophobicContact CZ3-CD2 4.26Å; W168-F209 HydrophobicContact CZ3-CG 4.08Å; F176-F209 HydrophobicContact CD2-CE2 4.16Å; F176-F209 HydrophobicContact CE2-CD2 4.32Å; F176-F209 AromaticContact CE2-CE2 4Å; F176-F209 HydrophobicContact CE2-CE2 4Å; L193-F209 HydrophobicContact CB-CZ 4.16Å; L193-F209 HydrophobicContact CD2-CE2 4.19Å; L193-F209 HydrophobicContact CD2-CZ 4.04Å; M196-F209 HydrophobicContact CB-CE2 4.4Å; M196-F209 HydrophobicContact CB-CZ 4.34Å; M196-F209 HydrophobicContact CE-CE2 4.04Å; M196-F209 HydrophobicContact CE-CZ 4.35Å; L197-F209 HydrophobicContact CB-CE1 4.16Å; L197-F209 HydrophobicContact CD1-CD1 4.22Å; L197-F209 HydrophobicContact CD1-CE1 4.2Å; I200-F209 HydrophobicContact CD1-CB 4.41Å; I200-F209 HydrophobicContact CD1-CD1 4.33Å; I200-F209 HydrophobicContact CD1-CD2 4.36Å; I200-F209 HydrophobicContact CD1-CG 4.12Å; D205-F209 PolarHBondContact O-N 2.67Å; I206-F209 WeakPolarHBondContact O-CA 3.39Å; I206-F209 WeakPolarHBondContact O-CB 3.35Å; I206-F209 PolarHBondContact O-N 3.44Å; I206-F209 VanDerWaalsContact O-N 3.12Å; E207-F209 VanDerWaalsContact C-N 3.25Å; E207-F209 PolarHBondContact O-N 3.15Å; F209-D211 VanDerWaalsContact C-N 3.27Å; F209-D211 PolarHBondContact O-N 3.14Å; F209-E212 PolarHBondContact O-N 3.1Å; F209-I213 HydrophobicContact CD1-CD1 3.81Å; F209-I213 HydrophobicContact CD2-CD1 3.61Å; F209-I213 HydrophobicContact CD2-CG1 4.3Å; F209-I213 HydrophobicContact CE1-CD1 3.59Å; F209-I213 HydrophobicContact CE2-CD1 3.47Å; F209-I213 VanDerWaalsContact CE2-CD1 3.47Å; F209-I213 HydrophobicContact CE2-CG1 4.33Å; F209-I213 HydrophobicContact CG-CD1 3.84Å; F209-I213 HydrophobicContact CZ-CD1 3.45Å; F209-I213 VanDerWaalsContact CZ-CD1 3.45Å; F209-I213 VanDerWaalsContact O-CG1 3.31Å; F209-I213 WeakPolarHBondContact O-CG1 3.36Å; F209-I213 PolarHBondContact O-N 3.14Å
210M89.5Confident86Confident0 Ų048.7 Ų48.70%024%0.244CC..Hα-helixtrans-63.1-42.7-176.2-70.3-179.465.300109.4I206 E207 I213 F214 L229 I232 I249 R252 C253 M256I206-M210 HydrophobicContact CG2-CG 4.49Å; I206-M210 HydrophobicContact CG2-SD 4.34Å; I206-M210 WeakPolarHBondContact O-CG 3.17Å; I206-M210 PolarHBondContact O-N 3.32Å; E207-M210 PolarHBondContact O-N 2.93Å; M210-I213 PolarHBondContact O-N 3.25Å; M210-F214 HydrophobicContact CB-CD2 4.01Å; M210-F214 HydrophobicContact CB-CE2 4.21Å; M210-F214 HydrophobicContact CE-CE2 4.31Å; M210-F214 HydrophobicContact CG-CE2 4.25Å; M210-F214 WeakPolarHBondContact O-CB 3.05Å; M210-F214 WeakPolarHBondContact O-CD2 3.45Å; M210-F214 PolarHBondContact O-N 3.14Å; M210-L229 HydrophobicContact CE-CD2 4.29Å; M210-I232 HydrophobicContact CG-CD1 4Å; M210-I232 HydrophobicContact SD-CG2 4.22Å; M210-I249 HydrophobicContact SD-CG2 3.81Å; M210-R252 HydrophobicContact CE-CG 4.03Å; M210-C253 WeakPolarHBondContact CE-SG 3.3Å; M210-M256 HydrophobicContact CE-SD 3.75Å
211D86.8Confident86.4Confident64 Ų6451 Ų5134%0.34226%0.257SS..Hα-helixtrans-64.8-44.6179.2-67.5-15.3000111.4E207 I208 F209 I213 C215 R252E207-D211 VanDerWaalsContact O-CG 3.3Å; E207-D211 PolarHBondContact O-N 3.4Å; I208-D211 PolarHBondContact O-N 2.9Å; F209-D211 VanDerWaalsContact C-N 3.27Å; F209-D211 PolarHBondContact O-N 3.14Å; D211-I213 VanDerWaalsContact C-N 3.28Å; D211-I213 PolarHBondContact O-N 2.75Å; D211-C215 WeakPolarHBondContact O-CB 3.12Å; D211-C215 PolarHBondContact O-N 3.44Å; D211-R252 IonicContact OD1-CZ 3.67Å; D211-R252 IonicContact OD1-NH1 3.6Å; D211-R252 PolarHBondContact OD1-NH1 2.97Å; D211-R252 VanDerWaalsContact OD1-NH1 3.13Å; D211-R252 IonicContact OD1-NH2 3.47Å; D211-R252 PolarHBondContact OD1-NH2 2.94Å
212E85.1Confident86.9Confident58 Ų5850.6 Ų50.627%0.27125%0.252SS..Hα-helixtrans-66.2-26.7177.3-68.6-99173.400113.1F176 W180 I208 F209F176-E212 HydrophobicContact CE1-CB 3.76Å; F176-E212 HydrophobicContact CZ-CB 3.95Å; W180-E212 PolarHBondContact NE1-O 3.12Å; I208-E212 HydrophobicContact CG2-CG 4.25Å; I208-E212 WeakPolarHBondContact O-CB 3.21Å; I208-E212 VanDerWaalsContact O-CG 3.25Å; I208-E212 WeakPolarHBondContact O-CG 3.48Å; I208-E212 PolarHBondContact O-N 2.79Å; F209-E212 PolarHBondContact O-N 3.1Å
213I88.2Confident87.5Confident0 Ų054.2 Ų54.20%026%0.263CS..Hα-helixtrans-82.7-53.8176.2-68.8167.3000111F176 W180 L193 F209 M210 D211 A217 L228F176-I213 HydrophobicContact CE2-CD1 4.45Å; F176-I213 HydrophobicContact CE2-CG1 3.91Å; F176-I213 HydrophobicContact CZ-CG1 3.93Å; W180-I213 HydrophobicContact CH2-CG2 4.01Å; W180-I213 HydrophobicContact CZ2-CB 4.36Å; W180-I213 HydrophobicContact CZ2-CG2 3.92Å; L193-I213 HydrophobicContact CD1-CD1 4.11Å; L193-I213 HydrophobicContact CD2-CD1 3.97Å; L193-I213 HydrophobicContact CD2-CG1 4.39Å; F209-I213 HydrophobicContact CD1-CD1 3.81Å; F209-I213 HydrophobicContact CD2-CD1 3.61Å; F209-I213 HydrophobicContact CD2-CG1 4.3Å; F209-I213 HydrophobicContact CE1-CD1 3.59Å; F209-I213 HydrophobicContact CE2-CD1 3.47Å; F209-I213 VanDerWaalsContact CE2-CD1 3.47Å; F209-I213 HydrophobicContact CE2-CG1 4.33Å; F209-I213 HydrophobicContact CG-CD1 3.84Å; F209-I213 HydrophobicContact CZ-CD1 3.45Å; F209-I213 VanDerWaalsContact CZ-CD1 3.45Å; F209-I213 VanDerWaalsContact O-CG1 3.31Å; F209-I213 WeakPolarHBondContact O-CG1 3.36Å; F209-I213 PolarHBondContact O-N 3.14Å; M210-I213 PolarHBondContact O-N 3.25Å; D211-I213 VanDerWaalsContact C-N 3.28Å; D211-I213 PolarHBondContact O-N 2.75Å; I213-A217 VanDerWaalsContact O-CB 3.27Å; I213-A217 WeakPolarHBondContact O-CB 3.41Å; I213-A217 PolarHBondContact O-N 3.45Å; I213-L228 HydrophobicContact CD1-CD2 4.3Å; I213-L228 HydrophobicContact CG2-CD2 4.16Å
214F89.1Confident88Confident15 Ų1555 Ų557%0.06627%0.267CS..Hα-helixtrans-90.1-29.2-165.6-61.9-62.6000113.8M210 L220 T225 L228 L229 I232 M256M210-F214 HydrophobicContact CB-CD2 4.01Å; M210-F214 HydrophobicContact CB-CE2 4.21Å; M210-F214 HydrophobicContact CE-CE2 4.31Å; M210-F214 HydrophobicContact CG-CE2 4.25Å; M210-F214 WeakPolarHBondContact O-CB 3.05Å; M210-F214 WeakPolarHBondContact O-CD2 3.45Å; M210-F214 PolarHBondContact O-N 3.14Å; F214-L220 HydrophobicContact CD1-CD1 3.96Å; F214-T225 HydrophobicContact CE1-CG2 3.91Å; F214-L228 HydrophobicContact CE1-CD2 4.41Å; F214-L228 HydrophobicContact CZ-CD2 3.97Å; F214-L229 HydrophobicContact CE1-CD2 4.5Å; F214-L229 HydrophobicContact CE2-CD2 3.72Å; F214-L229 HydrophobicContact CZ-CD2 3.56Å; F214-L229 HydrophobicContact CZ-CG 3.95Å; F214-I232 HydrophobicContact CE2-CD1 4.49Å; F214-M256 HydrophobicContact CB-CE 4.11Å; F214-M256 HydrophobicContact CD1-CE 3.92Å; F214-M256 HydrophobicContact CD2-CE 3.54Å; F214-M256 HydrophobicContact CD2-SD 4.48Å; F214-M256 HydrophobicContact CE1-CE 4.23Å; F214-M256 HydrophobicContact CE2-CE 3.86Å; F214-M256 HydrophobicContact CG-CE 3.58Å; F214-M256 HydrophobicContact CZ-CE 4.2Å
215C83.7Confident88.4Confident83 Ų8348.3 Ų48.356%0.56124%0.238SC*.THydrogen-bonded Turntrans-78.8-32.3178.4-62.70000112.1D211D211-C215 WeakPolarHBondContact O-CB 3.12Å; D211-C215 PolarHBondContact O-N 3.44Å
216D77.5Confident88.9Confident96 Ų9647.8 Ų47.851%0.51324%0.236SC..SBendtrans-101.27.8-176.4-68.9-22.9000113.4S182S182-D216 WeakPolarHBondContact CB-O 3.35Å; S182-D216 PolarHBondContact OG-O 3.11Å
217A86.6Confident89.3Confident13 Ų1349 Ų4911%0.10725%0.245CC..  trans-72.5135.2178.600000112.3I213 L220 P318I213-A217 VanDerWaalsContact O-CB 3.27Å; I213-A217 WeakPolarHBondContact O-CB 3.41Å; I213-A217 PolarHBondContact O-N 3.45Å; A217-L220 HydrophobicContact CB-CD1 3.72Å; A217-L220 HydrophobicContact CB-CD2 3.91Å; A217-L220 HydrophobicContact CB-CG 3.65Å; A217-P318 HydrophobicContact CB-CB 4.17Å; A217-P318 HydrophobicContact CB-CG 4.01Å; A217-P318 WeakPolarHBondContact O-CB 3.38Å
218K86.7Confident89.6Confident170 Ų17046.3 Ų46.374%0.73923%0.233SC*.SBendtrans-93.9-34.4170.7-65-179.9-178.4177.30112.1S182S182-K218 PolarHBondContact O-N 3Å
219S88.1Confident90.1Very high46 Ų4643.5 Ų43.532%0.32222%0.218SC..EExtended strand (participates in β ladder)trans-145.8127.7-175.3173.10000109.4S182 E183 L184S182-S219 PolarHBondContact O-N 3.43Å; E183-S219 VanDerWaalsContact CA-O 3.28Å; E183-S219 WeakPolarHBondContact CA-O 3.31Å; E183-S219 PolarHBondContact OE1-OG 2.92Å; E183-S219 VanDerWaalsContact OE1-OG 3.11Å; L184-S219 PolarHBondContact N-O 3.41Å; L184-S219 VanDerWaalsContact N-O 3.08Å
220L92.5Very high90.4Very high13 Ų1348.8 Ų48.87%0.06824%0.243CC..EExtended strand (participates in β ladder)trans-135.4121.6177.9-70.9175.8000109L184 F214 A217 L317 P318 L321L184-L220 HydrophobicContact CB-CD2 3.61Å; F214-L220 HydrophobicContact CD1-CD1 3.96Å; A217-L220 HydrophobicContact CB-CD1 3.72Å; A217-L220 HydrophobicContact CB-CD2 3.91Å; A217-L220 HydrophobicContact CB-CG 3.65Å; L220-L317 HydrophobicContact CB-CB 4.4Å; L220-L317 HydrophobicContact CB-CD2 3.88Å; L220-L317 HydrophobicContact CB-CG 4.33Å; L220-P318 HydrophobicContact CB-CG 4.12Å; L220-P318 HydrophobicContact CD1-CB 4.5Å; L220-P318 HydrophobicContact CD1-CG 3.98Å; L220-P318 HydrophobicContact CG-CG 3.87Å; L220-L321 HydrophobicContact CD1-CD1 4.15Å
221D93Very high90.6Very high53 Ų5350 Ų5028%0.28325%0.252SS..  trans-72.7130166.4177.8-91.7000109.6L184 R223 L224 T225L184-D221 WeakPolarHBondContact O-CB 3.35Å; L184-D221 PolarHBondContact O-N 2.71Å; D221-R223 VanDerWaalsContact C-N 3.34Å; D221-R223 PolarHBondContact O-N 3.35Å; D221-R223 WeakPolarHBondContact OD1-CA 3.46Å; D221-R223 VanDerWaalsContact OD1-CB 3.26Å; D221-R223 WeakPolarHBondContact OD1-CB 3.23Å; D221-R223 PolarHBondContact OD1-N 3.33Å; D221-L224 HydrophobicContact CB-CB 4.33Å; D221-L224 HydrophobicContact CB-CD1 4.24Å; D221-L224 HydrophobicContact CB-CG 4.24Å; D221-L224 PolarHBondContact O-N 3.44Å; D221-L224 PolarHBondContact OD1-N 3.05Å; D221-T225 WeakPolarHBondContact O-CB 3.44Å; D221-T225 PolarHBondContact O-N 3.13Å; D221-T225 PolarHBondContact O-OG1 2.89Å
222W91.8Very high90.9Very high82 Ų8247 Ų4731%0.31124%0.236SC..Hα-helixtrans-66.5-32.6-174.955.7-91.3000112.9C226 V260 A264 L317W222-C226 PolarHBondContact O-N 3.16Å; W222-C226 PolarHBondContact O-SG 2.93Å; W222-V260 HydrophobicContact CB-CG1 3.63Å; W222-V260 WeakPolarHBondContact O-CG1 3.41Å; W222-A264 HydrophobicContact CB-CB 4.26Å; W222-A264 HydrophobicContact CD2-CB 3.42Å; W222-A264 VanDerWaalsContact CD2-CB 3.42Å; W222-A264 HydrophobicContact CE3-CB 3.33Å; W222-A264 HydrophobicContact CG-CB 3.84Å; W222-A264 HydrophobicContact CH2-CB 4.27Å; W222-A264 HydrophobicContact CZ2-CB 4.37Å; W222-A264 HydrophobicContact CZ3-CB 3.78Å; W222-L317 HydrophobicContact CB-CD2 3.96Å
223R94.1Very high91.3Very high166 Ų16645.1 Ų45.163%0.62623%0.228SC*.Hα-helixtrans-70.2-47.9178.8-60.1175179.4170.7-0.3110.6D221 T225 C226 A227D221-R223 VanDerWaalsContact C-N 3.34Å; D221-R223 PolarHBondContact O-N 3.35Å; D221-R223 WeakPolarHBondContact OD1-CA 3.46Å; D221-R223 VanDerWaalsContact OD1-CB 3.26Å; D221-R223 WeakPolarHBondContact OD1-CB 3.23Å; D221-R223 PolarHBondContact OD1-N 3.33Å; R223-T225 VanDerWaalsContact C-N 3.31Å; R223-T225 PolarHBondContact O-N 2.75Å; R223-C226 PolarHBondContact O-N 2.96Å; R223-A227 PolarHBondContact O-N 3.29Å; R223-A227 VanDerWaalsContact O-N 3.08Å
224L95.2Very high91.4Very high18 Ų1847.7 Ų47.79%0.09425%0.249CC..Hα-helixtrans-66.3-36.1178.1-60.5-177.7000111.6L184 A185 Q187 L190 D221 A227 L228L184-L224 HydrophobicContact CD2-CB 3.85Å; L184-L224 HydrophobicContact CG-CB 3.84Å; L184-L224 HydrophobicContact CG-CD1 4.28Å; A185-L224 WeakPolarHBondContact O-CD1 3.28Å; Q187-L224 VanDerWaalsContact OE1-CD2 3.28Å; L190-L224 HydrophobicContact CD2-CD2 3.88Å; D221-L224 HydrophobicContact CB-CB 4.33Å; D221-L224 HydrophobicContact CB-CD1 4.24Å; D221-L224 HydrophobicContact CB-CG 4.24Å; D221-L224 PolarHBondContact O-N 3.44Å; D221-L224 PolarHBondContact OD1-N 3.05Å; L224-A227 PolarHBondContact O-N 3.29Å; L224-L228 WeakPolarHBondContact O-CB 3.33Å; L224-L228 PolarHBondContact O-N 3.46Å
225T94.2Very high91.5Very high0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-63.3-47176-61.60000111.9F214 D221 R223 A227 L228 L229 V260 L317F214-T225 HydrophobicContact CE1-CG2 3.91Å; D221-T225 WeakPolarHBondContact O-CB 3.44Å; D221-T225 PolarHBondContact O-N 3.13Å; D221-T225 PolarHBondContact O-OG1 2.89Å; R223-T225 VanDerWaalsContact C-N 3.31Å; R223-T225 PolarHBondContact O-N 2.75Å; T225-A227 PolarHBondContact O-N 3.48Å; T225-L228 PolarHBondContact O-N 3.23Å; T225-L229 HydrophobicContact CG2-CD1 4.01Å; T225-L229 WeakPolarHBondContact O-CG 3.47Å; T225-L229 PolarHBondContact O-N 2.84Å; T225-V260 HydrophobicContact CG2-CG1 4.42Å; T225-V260 HydrophobicContact CG2-CG2 3.8Å; T225-L317 HydrophobicContact CG2-CD2 4.4Å
226C95.1Very high91.7Very high11 Ų1144.5 Ų44.57%0.07423%0.227CC..Hα-helixtrans-59.1-47173.6-76.20000111.4W222 R223 L228 L229 E230 V260 N261W222-C226 PolarHBondContact O-N 3.16Å; W222-C226 PolarHBondContact O-SG 2.93Å; R223-C226 PolarHBondContact O-N 2.96Å; C226-L228 VanDerWaalsContact C-N 3.28Å; C226-L228 PolarHBondContact O-N 3.21Å; C226-L229 PolarHBondContact O-N 3.26Å; C226-E230 WeakPolarHBondContact O-CB 3.47Å; C226-E230 VanDerWaalsContact O-CG 3.32Å; C226-E230 WeakPolarHBondContact O-CG 3.41Å; C226-E230 PolarHBondContact O-N 3.13Å; C226-V260 WeakPolarHBondContact SG-CG1 3.34Å; C226-N261 PolarHBondContact SG-OD1 2.98Å; C226-N261 VanDerWaalsContact SG-OD1 3.36Å
227A95.3Very high92Very high25 Ų2544.1 Ų44.121%0.20723%0.232CC..Hα-helixtrans-62-34179.300000113.2L190 R223 L224 T225 S231L190-A227 HydrophobicContact CD2-CB 3.83Å; R223-A227 PolarHBondContact O-N 3.29Å; R223-A227 VanDerWaalsContact O-N 3.08Å; L224-A227 PolarHBondContact O-N 3.29Å; T225-A227 PolarHBondContact O-N 3.48Å; A227-S231 WeakPolarHBondContact O-CB 3.49Å; A227-S231 PolarHBondContact O-N 2.92Å; A227-S231 VanDerWaalsContact O-N 3.14Å; A227-S231 PolarHBondContact O-OG 3.45Å
228L95Very high91.9Very high0 Ų048.9 Ų48.90%026%0.26CS..Hα-helixtrans-67.7-49.2173.3-179.662.9000111.2L184 L190 L193 I213 F214 L224 T225 C226 E230 S231 I232L184-L228 HydrophobicContact CD2-CD2 4.2Å; L190-L228 HydrophobicContact CD1-CB 3.65Å; L190-L228 HydrophobicContact CD1-CD1 4.06Å; L190-L228 HydrophobicContact CD1-CG 4.4Å; L193-L228 HydrophobicContact CB-CD1 3.86Å; L193-L228 HydrophobicContact CD1-CD1 4.26Å; L193-L228 HydrophobicContact CD1-CD2 3.68Å; I213-L228 HydrophobicContact CD1-CD2 4.3Å; I213-L228 HydrophobicContact CG2-CD2 4.16Å; F214-L228 HydrophobicContact CE1-CD2 4.41Å; F214-L228 HydrophobicContact CZ-CD2 3.97Å; L224-L228 WeakPolarHBondContact O-CB 3.33Å; L224-L228 PolarHBondContact O-N 3.46Å; T225-L228 PolarHBondContact O-N 3.23Å; C226-L228 VanDerWaalsContact C-N 3.28Å; C226-L228 PolarHBondContact O-N 3.21Å; L228-E230 VanDerWaalsContact C-N 3.35Å; L228-E230 PolarHBondContact O-N 3.44Å; L228-S231 WeakPolarHBondContact O-CA 3.47Å; L228-S231 WeakPolarHBondContact O-CB 3.45Å; L228-S231 PolarHBondContact O-N 3.45Å; L228-S231 VanDerWaalsContact O-N 3.08Å; L228-I232 HydrophobicContact CG-CD1 4.21Å; L228-I232 WeakPolarHBondContact O-CG1 3.32Å; L228-I232 PolarHBondContact O-N 3.41Å
229L95.6Very high91.6Very high0 Ų041.9 Ų41.90%023%0.23CC..Hα-helixtrans-61.6-41.7179.2-70.6167.5000111.8M210 F214 T225 C226 S231 I232 V233 C253 M256 I257 V260M210-L229 HydrophobicContact CE-CD2 4.29Å; F214-L229 HydrophobicContact CE1-CD2 4.5Å; F214-L229 HydrophobicContact CE2-CD2 3.72Å; F214-L229 HydrophobicContact CZ-CD2 3.56Å; F214-L229 HydrophobicContact CZ-CG 3.95Å; T225-L229 HydrophobicContact CG2-CD1 4.01Å; T225-L229 WeakPolarHBondContact O-CG 3.47Å; T225-L229 PolarHBondContact O-N 2.84Å; C226-L229 PolarHBondContact O-N 3.26Å; L229-S231 VanDerWaalsContact C-N 3.28Å; L229-S231 PolarHBondContact O-N 3.3Å; L229-I232 PolarHBondContact O-N 2.91Å; L229-V233 WeakPolarHBondContact O-CG2 3.17Å; L229-V233 PolarHBondContact O-N 2.86Å; L229-C253 HydrophobicContact CD2-CB 4.2Å; L229-M256 HydrophobicContact CD1-CB 3.59Å; L229-M256 HydrophobicContact CD2-CB 4.1Å; L229-M256 HydrophobicContact CD2-CE 4.08Å; L229-M256 HydrophobicContact CD2-SD 4.05Å; L229-I257 HydrophobicContact CB-CD1 3.83Å; L229-I257 HydrophobicContact CB-CG1 3.58Å; L229-I257 HydrophobicContact CD1-CG1 3.84Å; L229-I257 HydrophobicContact CG-CG1 4.36Å; L229-V260 HydrophobicContact CD1-CG2 4.39Å
230E95.8Very high90.6Very high111 Ų11144 Ų4452%0.51925%0.25SC..Hα-helixtrans-60.7-38.5172.9-73.5174176.900111.8C226 L228 V233 A234 I257C226-E230 WeakPolarHBondContact O-CB 3.47Å; C226-E230 VanDerWaalsContact O-CG 3.32Å; C226-E230 WeakPolarHBondContact O-CG 3.41Å; C226-E230 PolarHBondContact O-N 3.13Å; L228-E230 VanDerWaalsContact C-N 3.35Å; L228-E230 PolarHBondContact O-N 3.44Å; E230-V233 PolarHBondContact O-N 3.47Å; E230-A234 WeakPolarHBondContact O-CB 3.41Å; E230-A234 PolarHBondContact O-N 3.04Å; E230-I257 HydrophobicContact CG-CD1 3.87Å
231S93.5Very high89.7Confident27 Ų2748.9 Ų48.919%0.18928%0.276CS..Hα-helixtrans-69-36176.4-58.10000111.9K194 L197 A227 L228 L229 A234 H235K194-S231 WeakPolarHBondContact CE-OG 3.4Å; K194-S231 PolarHBondContact NZ-OG 3.26Å; L197-S231 WeakPolarHBondContact CD2-O 3.31Å; A227-S231 WeakPolarHBondContact O-CB 3.49Å; A227-S231 PolarHBondContact O-N 2.92Å; A227-S231 VanDerWaalsContact O-N 3.14Å; A227-S231 PolarHBondContact O-OG 3.45Å; L228-S231 WeakPolarHBondContact O-CA 3.47Å; L228-S231 WeakPolarHBondContact O-CB 3.45Å; L228-S231 PolarHBondContact O-N 3.45Å; L228-S231 VanDerWaalsContact O-N 3.08Å; L229-S231 VanDerWaalsContact C-N 3.28Å; L229-S231 PolarHBondContact O-N 3.3Å; S231-A234 PolarHBondContact O-N 3.11Å; S231-H235 WeakPolarHBondContact O-CB 3.36Å; S231-H235 PolarHBondContact O-N 3.02Å
232I93.9Very high88.8Confident0 Ų051 Ų510%029%0.285CS..Hα-helixtrans-63.9-46172.2-64.6167.6000110.3L197 I206 M210 F214 L228 L229 A234 H235 C236 I249L197-I232 HydrophobicContact CD1-CG1 4.05Å; L197-I232 HydrophobicContact CD2-CB 4.4Å; L197-I232 HydrophobicContact CD2-CG1 3.84Å; I206-I232 HydrophobicContact CG2-CG2 3.89Å; M210-I232 HydrophobicContact CG-CD1 4Å; M210-I232 HydrophobicContact SD-CG2 4.22Å; F214-I232 HydrophobicContact CE2-CD1 4.49Å; L228-I232 HydrophobicContact CG-CD1 4.21Å; L228-I232 WeakPolarHBondContact O-CG1 3.32Å; L228-I232 PolarHBondContact O-N 3.41Å; L229-I232 PolarHBondContact O-N 2.91Å; I232-A234 VanDerWaalsContact C-N 3.34Å; I232-A234 PolarHBondContact O-N 2.99Å; I232-H235 PolarHBondContact O-N 2.96Å; I232-H235 VanDerWaalsContact O-N 3.17Å; I232-C236 PolarHBondContact O-N 3.33Å; I232-C236 PolarHBondContact O-SG 2.76Å; I232-I249 HydrophobicContact CG2-CG2 4.34Å
233V92.1Very high88.1Confident19 Ų1954.7 Ų54.712%0.11531%0.305CS..Hα-helixtrans-58.8-45.2175.31680000111.5L229 E230 H235 C236 S237 R250 C253 E254L229-V233 WeakPolarHBondContact O-CG2 3.17Å; L229-V233 PolarHBondContact O-N 2.86Å; E230-V233 PolarHBondContact O-N 3.47Å; V233-H235 VanDerWaalsContact C-N 3.33Å; V233-H235 PolarHBondContact O-N 3.09Å; V233-C236 PolarHBondContact O-N 3.26Å; V233-S237 PolarHBondContact O-N 2.83Å; V233-R250 HydrophobicContact CG1-CG 3.95Å; V233-R250 HydrophobicContact CG2-CG 4.25Å; V233-C253 HydrophobicContact CG2-CB 3.41Å; V233-C253 VanDerWaalsContact CG2-CB 3.41Å; V233-E254 HydrophobicContact CG2-CG 4.42Å
234A91.2Very high87.6Confident53 Ų5354.7 Ų54.744%0.43831%0.312SS..Hα-helixtrans-65.7-34.3176.800000112.4E230 S231 I232 S237 V238E230-A234 WeakPolarHBondContact O-CB 3.41Å; E230-A234 PolarHBondContact O-N 3.04Å; S231-A234 PolarHBondContact O-N 3.11Å; I232-A234 VanDerWaalsContact C-N 3.34Å; I232-A234 PolarHBondContact O-N 2.99Å; A234-S237 PolarHBondContact O-OG 3.28Å; A234-V238 WeakPolarHBondContact O-CG2 3.22Å
235H90.3Very high87.1Confident23 Ų2357.5 Ų57.511%0.10633%0.325CS..Hα-helixtrans-72.3-39.2176.6-17265.1000112.3L197 I200 S231 I232 V233 S237 V238 I239L197-H235 HydrophobicContact CD1-CB 4.32Å; L197-H235 HydrophobicContact CD2-CB 3.8Å; L197-H235 HydrophobicContact CG-CB 3.93Å; L197-H235 PolarHBondContact O-CE1 2.78Å; L197-H235 PolarHBondContact O-NE2 3.39Å; I200-H235 PolarHBondContact O-NE2 2.77Å; S231-H235 WeakPolarHBondContact O-CB 3.36Å; S231-H235 PolarHBondContact O-N 3.02Å; I232-H235 PolarHBondContact O-N 2.96Å; I232-H235 VanDerWaalsContact O-N 3.17Å; V233-H235 VanDerWaalsContact C-N 3.33Å; V233-H235 PolarHBondContact O-N 3.09Å; H235-S237 PolarHBondContact O-N 3.47Å; H235-V238 PolarHBondContact O-N 3.07Å; H235-I239 PolarHBondContact O-N 2.79Å
236C88.2Confident86.7Confident9 Ų957.9 Ų57.96%0.06133%0.327CS..Hα-helixtrans-58.3-30.1174.8-72.80000112.7I232 V233 L246I232-C236 PolarHBondContact O-N 3.33Å; I232-C236 PolarHBondContact O-SG 2.76Å; V233-C236 PolarHBondContact O-N 3.26Å; C236-L246 HydrophobicContact CB-CB 4.47Å; C236-L246 HydrophobicContact CB-CD2 4.29Å
237S84Confident86.2Confident88 Ų8860.2 Ų60.262%0.61534%0.339SS*.Hα-helixtrans-78.2-18177.3710000114.1V233 A234 H235V233-S237 PolarHBondContact O-N 2.83Å; A234-S237 PolarHBondContact O-OG 3.28Å; H235-S237 PolarHBondContact O-N 3.47Å
238V84.3Confident85.9Confident113 Ų11363.2 Ų63.269%0.68535%0.351SS*.Hα-helixtrans-83.9-25.8178.41760000111.6A234 H235 A240A234-V238 WeakPolarHBondContact O-CG2 3.22Å; H235-V238 PolarHBondContact O-N 3.07Å; V238-A240 PolarHBondContact O-N 2.92Å
239I80.8Confident85.6Confident22 Ų2263.2 Ų63.211%0.11335%0.351CS..  trans-77.6114.1-178.3-59.9171.4000109.8I206 H235 N241 L246I206-I239 HydrophobicContact CD1-CD1 3.64Å; H235-I239 PolarHBondContact O-N 2.79Å; I239-N241 VanDerWaalsContact C-N 3.27Å; I239-N241 PolarHBondContact O-N 3.21Å; I239-L246 HydrophobicContact CB-CD1 3.76Å; I239-L246 HydrophobicContact CD1-CD2 4.28Å; I239-L246 HydrophobicContact CG2-CD1 3.78Å
240A66.6Low85.3Confident90 Ų9068.1 Ų68.174%0.74437%0.369SS*.  trans-75.9-1.5-174.800000115.7V238V238-A240 PolarHBondContact O-N 2.92Å
241N72.8Confident85Confident116 Ų11669.6 Ų69.662%0.6237%0.37SS*.SBendtrans-125.2149-173.4-66.4-30000110.6I239 L246I239-N241 VanDerWaalsContact C-N 3.27Å; I239-N241 PolarHBondContact O-N 3.21Å; N241-L246 WeakPolarHBondContact O-CD1 3.23Å
242E75.2Confident84.9Confident99 Ų9969.6 Ų69.646%0.46337%0.366SS..  trans72.139.4177.2-50.1-179.6160.600115.2A203 E244 Q245 L246A203-E242 HydrophobicContact CB-CB 4.43Å; A203-E242 WeakPolarHBondContact CB-OE2 3.43Å; A203-E242 PolarHBondContact N-OE2 3.35Å; E242-E244 VanDerWaalsContact C-N 3.34Å; E242-E244 PolarHBondContact O-N 3.28Å; E242-E244 VanDerWaalsContact O-N 3.17Å; E242-Q245 HydrophobicContact CB-CB 4.44Å; E242-Q245 PolarHBondContact O-N 2.89Å; E242-L246 PolarHBondContact O-N 3.45Å
243E77.7Confident84.8Confident159 Ų15969.6 Ų69.674%0.74337%0.366SS*.Hα-helixtrans-45.6-49.1-177.6-71.4-175.317300114Q245 L246 D247E243-Q245 VanDerWaalsContact C-N 3.34Å; E243-Q245 PolarHBondContact O-N 2.98Å; E243-L246 PolarHBondContact O-N 3.07Å; E243-D247 VanDerWaalsContact O-CB 3.28Å; E243-D247 WeakPolarHBondContact O-CB 3.15Å; E243-D247 PolarHBondContact O-N 3.26Å
244E83Confident84.7Confident166 Ų16673 Ų7378%0.77638%0.38SS*.Hα-helixtrans-60.5-39.2-178.6-68.9-175.3172.200113.6E242 L248E242-E244 VanDerWaalsContact C-N 3.34Å; E242-E244 PolarHBondContact O-N 3.28Å; E242-E244 VanDerWaalsContact O-N 3.17Å; E244-L248 WeakPolarHBondContact O-CG 3.01Å; E244-L248 PolarHBondContact O-N 3.44Å
245Q83.8Confident84.6Confident76 Ų7674 Ų7436%0.35537%0.373SS..Hα-helixtrans-77.5-40.6-179.4-64-69.1-65.200110.9A203 E242 E243 D247 L248 I249A203-Q245 HydrophobicContact CB-CB 3.7Å; E242-Q245 HydrophobicContact CB-CB 4.44Å; E242-Q245 PolarHBondContact O-N 2.89Å; E243-Q245 VanDerWaalsContact C-N 3.34Å; E243-Q245 PolarHBondContact O-N 2.98Å; Q245-D247 VanDerWaalsContact C-N 3.27Å; Q245-D247 PolarHBondContact O-N 3.18Å; Q245-L248 WeakPolarHBondContact O-CB 3.21Å; Q245-L248 PolarHBondContact O-N 2.86Å; Q245-I249 WeakPolarHBondContact O-CG1 3.36Å; Q245-I249 PolarHBondContact O-N 3.36Å; Q245-I249 VanDerWaalsContact O-N 3.08Å
246L85.6Confident84.8Confident9 Ų973 Ų735%0.04737%0.369CS..Hα-helixtrans-64.2-34.7175.8-68.5173000111.8A203 I206 C236 I239 N241 E242 E243 L248 I249 R250A203-L246 HydrophobicContact CB-CD2 3.86Å; A203-L246 HydrophobicContact CB-CG 4.21Å; I206-L246 HydrophobicContact CD1-CD2 4.04Å; C236-L246 HydrophobicContact CB-CB 4.47Å; C236-L246 HydrophobicContact CB-CD2 4.29Å; I239-L246 HydrophobicContact CB-CD1 3.76Å; I239-L246 HydrophobicContact CD1-CD2 4.28Å; I239-L246 HydrophobicContact CG2-CD1 3.78Å; N241-L246 WeakPolarHBondContact O-CD1 3.23Å; E242-L246 PolarHBondContact O-N 3.45Å; E243-L246 PolarHBondContact O-N 3.07Å; L246-L248 VanDerWaalsContact C-N 3.34Å; L246-I249 HydrophobicContact CD2-CD1 4.43Å; L246-I249 PolarHBondContact O-N 3.33Å; L246-R250 WeakPolarHBondContact O-CB 3.39Å; L246-R250 PolarHBondContact O-N 3.05Å
247D86Confident85.1Confident60 Ų6073.8 Ų73.832%0.32137%0.372SS..Hα-helixtrans-68.7-33.6176.3-151.745.5000111.8E243 Q245 R250 R251E243-D247 VanDerWaalsContact O-CB 3.28Å; E243-D247 WeakPolarHBondContact O-CB 3.15Å; E243-D247 PolarHBondContact O-N 3.26Å; Q245-D247 VanDerWaalsContact C-N 3.27Å; Q245-D247 PolarHBondContact O-N 3.18Å; D247-R250 PolarHBondContact O-N 3.48Å; D247-R251 VanDerWaalsContact O-CG 3.25Å; D247-R251 WeakPolarHBondContact O-CG 3.45Å; D247-R251 PolarHBondContact O-N 3.12Å; D247-R251 IonicContact OD2-CZ 2.96Å; D247-R251 IonicContact OD2-NE 2.66Å; D247-R251 PolarHBondContact OD2-NE 3.19Å; D247-R251 IonicContact OD2-NH2 2.66Å; D247-R251 PolarHBondContact OD2-NH2 2.81Å
248L88.4Confident85.5Confident87 Ų8771.5 Ų71.546%0.45535%0.351SS..Hα-helixtrans-64.8-44.8170.4-71.3166.2000111.8E244 Q245 L246 R250 R251 R252E244-L248 WeakPolarHBondContact O-CG 3.01Å; E244-L248 PolarHBondContact O-N 3.44Å; Q245-L248 WeakPolarHBondContact O-CB 3.21Å; Q245-L248 PolarHBondContact O-N 2.86Å; L246-L248 VanDerWaalsContact C-N 3.34Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 2.85Å; L248-R251 PolarHBondContact O-N 2.76Å; L248-R252 WeakPolarHBondContact O-CB 3.37Å; L248-R252 PolarHBondContact O-N 2.8Å
249I89.4Confident85.9Confident1 Ų166.1 Ų66.11%0.00532%0.319CS..Hα-helixtrans-63-41.1176.8-65.2168.6000110.9A203 I206 E207 M210 I232 Q245 L246 R252 C253A203-I249 HydrophobicContact CB-CD1 3.79Å; A203-I249 VanDerWaalsContact O-CD1 3.29Å; A203-I249 WeakPolarHBondContact O-CD1 3.47Å; I206-I249 HydrophobicContact CB-CD1 4.25Å; I206-I249 HydrophobicContact CG2-CD1 4.43Å; I206-I249 HydrophobicContact CG2-CG2 3.98Å; E207-I249 HydrophobicContact CG-CD1 3.7Å; E207-I249 HydrophobicContact CG-CG1 3.78Å; M210-I249 HydrophobicContact SD-CG2 3.81Å; I232-I249 HydrophobicContact CG2-CG2 4.34Å; Q245-I249 WeakPolarHBondContact O-CG1 3.36Å; Q245-I249 PolarHBondContact O-N 3.36Å; Q245-I249 VanDerWaalsContact O-N 3.08Å; L246-I249 HydrophobicContact CD2-CD1 4.43Å; L246-I249 PolarHBondContact O-N 3.33Å; I249-R252 WeakPolarHBondContact O-CB 3.05Å; I249-R252 PolarHBondContact O-N 3.31Å; I249-C253 PolarHBondContact O-N 2.91Å; I249-C253 PolarHBondContact O-SG 3.4Å
250R89.6Confident86.6Confident102 Ų10265 Ų6539%0.38531%0.313SS..Hα-helixtrans-59.5-51.9176.5-175.3-179.4-167.6174.314.9111.3V233 L246 D247 L248 R252 C253 E254V233-R250 HydrophobicContact CG1-CG 3.95Å; V233-R250 HydrophobicContact CG2-CG 4.25Å; L246-R250 WeakPolarHBondContact O-CB 3.39Å; L246-R250 PolarHBondContact O-N 3.05Å; D247-R250 PolarHBondContact O-N 3.48Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 2.85Å; R250-R252 VanDerWaalsContact C-N 3.28Å; R250-R252 PolarHBondContact O-N 3.19Å; R250-C253 PolarHBondContact O-N 3.25Å; R250-C253 VanDerWaalsContact O-N 3.11Å; R250-E254 WeakPolarHBondContact CG-OE1 3.48Å; R250-E254 IonicContact CZ-OE1 3.96Å; R250-E254 IonicContact NE-OE1 3.13Å; R250-E254 PolarHBondContact NE-OE1 2.99Å; R250-E254 VanDerWaalsContact NE-OE1 3.13Å; R250-E254 WeakPolarHBondContact O-CG 3.24Å; R250-E254 PolarHBondContact O-N 3.4Å
251R88.5Confident88Confident142 Ų14264.5 Ų64.554%0.53630%0.298SS..Hα-helixtrans-59-40.8176.8-69.6171.1-165.1-179.35.6111.4D247 L248 E254 R255D247-R251 VanDerWaalsContact O-CG 3.25Å; D247-R251 WeakPolarHBondContact O-CG 3.45Å; D247-R251 PolarHBondContact O-N 3.12Å; D247-R251 IonicContact OD2-CZ 2.96Å; D247-R251 IonicContact OD2-NE 2.66Å; D247-R251 PolarHBondContact OD2-NE 3.19Å; D247-R251 IonicContact OD2-NH2 2.66Å; D247-R251 PolarHBondContact OD2-NH2 2.81Å; L248-R251 PolarHBondContact O-N 2.76Å; R251-E254 PolarHBondContact O-N 2.99Å; R251-R255 VanDerWaalsContact O-CG 3.3Å; R251-R255 WeakPolarHBondContact O-CG 3.35Å; R251-R255 PolarHBondContact O-N 3.49Å
252R91.2Very high89Confident28 Ų2859.1 Ų59.111%0.10627%0.269CS..Hα-helixtrans-57.3-48.7173.6171.7172.6-177.3-174.2-1.2111.3M210 D211 L248 I249 R250 R255 M256 F326M210-R252 HydrophobicContact CE-CG 4.03Å; D211-R252 IonicContact OD1-CZ 3.67Å; D211-R252 IonicContact OD1-NH1 3.6Å; D211-R252 PolarHBondContact OD1-NH1 2.97Å; D211-R252 VanDerWaalsContact OD1-NH1 3.13Å; D211-R252 IonicContact OD1-NH2 3.47Å; D211-R252 PolarHBondContact OD1-NH2 2.94Å; L248-R252 WeakPolarHBondContact O-CB 3.37Å; L248-R252 PolarHBondContact O-N 2.8Å; I249-R252 WeakPolarHBondContact O-CB 3.05Å; I249-R252 PolarHBondContact O-N 3.31Å; R250-R252 VanDerWaalsContact C-N 3.28Å; R250-R252 PolarHBondContact O-N 3.19Å; R252-R255 PolarHBondContact O-N 3.05Å; R252-M256 HydrophobicContact CG-SD 4.19Å; R252-M256 VanDerWaalsContact O-CG 3.31Å; R252-M256 WeakPolarHBondContact O-CG 3.45Å; R252-M256 PolarHBondContact O-N 3.27Å; R252-F326 HydrophobicContact CB-CB 4.43Å; R252-F326 HydrophobicContact CG-CB 3.75Å
253C92.2Very high89.9Confident0 Ų055.6 Ų55.60%025%0.251CS..Hα-helixtrans-64.5-44.1179-65.60000112.6M210 L229 V233 I249 R250 R255 M256 I257M210-C253 WeakPolarHBondContact CE-SG 3.3Å; L229-C253 HydrophobicContact CD2-CB 4.2Å; V233-C253 HydrophobicContact CG2-CB 3.41Å; V233-C253 VanDerWaalsContact CG2-CB 3.41Å; I249-C253 PolarHBondContact O-N 2.91Å; I249-C253 PolarHBondContact O-SG 3.4Å; R250-C253 PolarHBondContact O-N 3.25Å; R250-C253 VanDerWaalsContact O-N 3.11Å; C253-R255 VanDerWaalsContact C-N 3.28Å; C253-R255 PolarHBondContact O-N 3.38Å; C253-M256 WeakPolarHBondContact O-CB 3.49Å; C253-M256 PolarHBondContact O-N 2.97Å; C253-M256 VanDerWaalsContact O-N 3.12Å; C253-I257 VanDerWaalsContact O-CG1 3.32Å; C253-I257 WeakPolarHBondContact O-CG1 3.15Å; C253-I257 PolarHBondContact O-N 2.84Å
254E90.4Very high90.6Very high89 Ų8948.4 Ų48.442%0.41622%0.22SC..Hα-helixtrans-59.5-39.6177.9-72.2168.9178.800111.6V233 R250 R251 I257 E258V233-E254 HydrophobicContact CG2-CG 4.42Å; R250-E254 WeakPolarHBondContact CG-OE1 3.48Å; R250-E254 IonicContact CZ-OE1 3.96Å; R250-E254 IonicContact NE-OE1 3.13Å; R250-E254 PolarHBondContact NE-OE1 2.99Å; R250-E254 VanDerWaalsContact NE-OE1 3.13Å; R250-E254 WeakPolarHBondContact O-CG 3.24Å; R250-E254 PolarHBondContact O-N 3.4Å; R251-E254 PolarHBondContact O-N 2.99Å; E254-I257 PolarHBondContact O-N 3.11Å; E254-E258 PolarHBondContact O-N 3.5Å
255R89.7Confident91Very high75 Ų7543 Ų4328%0.28320%0.198SC..Hα-helixtrans-68.3-39.6172.8-68.7-60.5-166.2-176.47.6113.1R251 R252 C253 I257 E258 V259 F326 K329 S371R251-R255 VanDerWaalsContact O-CG 3.3Å; R251-R255 WeakPolarHBondContact O-CG 3.35Å; R251-R255 PolarHBondContact O-N 3.49Å; R252-R255 PolarHBondContact O-N 3.05Å; C253-R255 VanDerWaalsContact C-N 3.28Å; C253-R255 PolarHBondContact O-N 3.38Å; R255-I257 VanDerWaalsContact C-N 3.28Å; R255-I257 PolarHBondContact O-N 3.47Å; R255-E258 WeakPolarHBondContact CD-OE2 3.31Å; R255-E258 IonicContact CZ-OE2 2.69Å; R255-E258 IonicContact NH1-OE1 3.96Å; R255-E258 IonicContact NH1-OE2 2.56Å; R255-E258 PolarHBondContact NH1-OE2 3.36Å; R255-E258 WeakPolarHBondContact O-CB 3.1Å; R255-E258 PolarHBondContact O-N 3.09Å; R255-V259 WeakPolarHBondContact O-CG2 3.46Å; R255-V259 PolarHBondContact O-N 3.5Å; R255-F326 HydrophobicContact CB-CD1 3.9Å; R255-K329 PolarHBondContact NH2-O 2.93Å; R255-S371 PolarHBondContact NH1-OG 2.92Å
256M93.6Very high91.4Very high3 Ų339.5 Ų39.52%0.01518%0.181CC..Hα-helixtrans-61.7-40.4173.8-70.817869.800110.8M210 F214 L229 R252 C253 E258 V259 V260 L321 F326M210-M256 HydrophobicContact CE-SD 3.75Å; F214-M256 HydrophobicContact CB-CE 4.11Å; F214-M256 HydrophobicContact CD1-CE 3.92Å; F214-M256 HydrophobicContact CD2-CE 3.54Å; F214-M256 HydrophobicContact CD2-SD 4.48Å; F214-M256 HydrophobicContact CE1-CE 4.23Å; F214-M256 HydrophobicContact CE2-CE 3.86Å; F214-M256 HydrophobicContact CG-CE 3.58Å; F214-M256 HydrophobicContact CZ-CE 4.2Å; L229-M256 HydrophobicContact CD1-CB 3.59Å; L229-M256 HydrophobicContact CD2-CB 4.1Å; L229-M256 HydrophobicContact CD2-CE 4.08Å; L229-M256 HydrophobicContact CD2-SD 4.05Å; R252-M256 HydrophobicContact CG-SD 4.19Å; R252-M256 VanDerWaalsContact O-CG 3.31Å; R252-M256 WeakPolarHBondContact O-CG 3.45Å; R252-M256 PolarHBondContact O-N 3.27Å; C253-M256 WeakPolarHBondContact O-CB 3.49Å; C253-M256 PolarHBondContact O-N 2.97Å; C253-M256 VanDerWaalsContact O-N 3.12Å; M256-E258 PolarHBondContact O-N 3.3Å; M256-V259 PolarHBondContact O-N 2.86Å; M256-V260 WeakPolarHBondContact O-CG2 3.33Å; M256-V260 PolarHBondContact O-N 2.84Å; M256-L321 HydrophobicContact CE-CD1 4.5Å; M256-F326 HydrophobicContact CB-CD1 4.44Å; M256-F326 HydrophobicContact CB-CE1 4.16Å; M256-F326 HydrophobicContact CG-CD1 3.5Å; M256-F326 VanDerWaalsContact CG-CD1 3.5Å; M256-F326 HydrophobicContact CG-CD2 3.98Å; M256-F326 HydrophobicContact CG-CE1 3.45Å; M256-F326 VanDerWaalsContact CG-CE1 3.45Å; M256-F326 HydrophobicContact CG-CE2 3.96Å; M256-F326 HydrophobicContact CG-CG 3.76Å; M256-F326 HydrophobicContact CG-CZ 3.7Å; M256-F326 HydrophobicContact SD-CD2 4.46Å
257I94.2Very high91.6Very high24 Ų2440.5 Ų40.512%0.12319%0.189CC..Hα-helixtrans-61-43.3174.6-67.8164.1000110.9L229 E230 C253 E254 R255 V259 V260 N261L229-I257 HydrophobicContact CB-CD1 3.83Å; L229-I257 HydrophobicContact CB-CG1 3.58Å; L229-I257 HydrophobicContact CD1-CG1 3.84Å; L229-I257 HydrophobicContact CG-CG1 4.36Å; E230-I257 HydrophobicContact CG-CD1 3.87Å; C253-I257 VanDerWaalsContact O-CG1 3.32Å; C253-I257 WeakPolarHBondContact O-CG1 3.15Å; C253-I257 PolarHBondContact O-N 2.84Å; E254-I257 PolarHBondContact O-N 3.11Å; R255-I257 VanDerWaalsContact C-N 3.28Å; R255-I257 PolarHBondContact O-N 3.47Å; I257-V259 PolarHBondContact O-N 2.92Å; I257-V260 PolarHBondContact O-N 3.27Å; I257-N261 WeakPolarHBondContact CG2-ND2 3.29Å; I257-N261 VanDerWaalsContact O-CB 3.31Å; I257-N261 WeakPolarHBondContact O-CB 3.5Å; I257-N261 PolarHBondContact O-N 3.21Å; I257-N261 PolarHBondContact O-ND2 3.26Å
258E92.2Very high91.7Very high40 Ų4040.2 Ų40.219%0.18720%0.195CC..Hα-helixtrans-55.8-48.2174.3-172.9-174.6171.900111.7E254 R255 M256 N261 F262 L370 S371E254-E258 PolarHBondContact O-N 3.5Å; R255-E258 WeakPolarHBondContact CD-OE2 3.31Å; R255-E258 IonicContact CZ-OE2 2.69Å; R255-E258 IonicContact NH1-OE1 3.96Å; R255-E258 IonicContact NH1-OE2 2.56Å; R255-E258 PolarHBondContact NH1-OE2 3.36Å; R255-E258 WeakPolarHBondContact O-CB 3.1Å; R255-E258 PolarHBondContact O-N 3.09Å; M256-E258 PolarHBondContact O-N 3.3Å; E258-N261 PolarHBondContact O-N 3.15Å; E258-F262 WeakPolarHBondContact O-CB 3.4Å; E258-F262 PolarHBondContact O-N 2.79Å; E258-L370 HydrophobicContact CG-CD1 4.5Å; E258-S371 VanDerWaalsContact OE1-CB 3.25Å; E258-S371 WeakPolarHBondContact OE1-CB 3.45Å; E258-S371 PolarHBondContact OE1-N 3.32Å; E258-S371 PolarHBondContact OE1-OG 3.43Å
259V94.1Very high91.7Very high0 Ų036.7 Ų36.70%018%0.177CC..Hα-helixtrans-64.3-43.3177.8176.50000111.9R255 M256 I257 F262 Y263 F320 L321 F324 F326 L331 L370R255-V259 WeakPolarHBondContact O-CG2 3.46Å; R255-V259 PolarHBondContact O-N 3.5Å; M256-V259 PolarHBondContact O-N 2.86Å; I257-V259 PolarHBondContact O-N 2.92Å; V259-F262 PolarHBondContact O-N 2.88Å; V259-Y263 PolarHBondContact O-N 3.27Å; V259-F320 HydrophobicContact CG1-CD1 3.61Å; V259-F320 HydrophobicContact CG1-CE1 3.5Å; V259-L321 HydrophobicContact CB-CD2 4.21Å; V259-L321 HydrophobicContact CG1-CD2 3.83Å; V259-F324 HydrophobicContact CG1-CD2 3.73Å; V259-F324 HydrophobicContact CG1-CE2 3.71Å; V259-F324 HydrophobicContact CG2-CD2 4.15Å; V259-F324 HydrophobicContact CG2-CE2 4.5Å; V259-F324 HydrophobicContact CG2-CG 4.39Å; V259-F326 HydrophobicContact CB-CE1 4.36Å; V259-F326 HydrophobicContact CG2-CE1 3.74Å; V259-F326 HydrophobicContact CG2-CZ 4.24Å; V259-L331 HydrophobicContact CG2-CD1 4.21Å; V259-L331 HydrophobicContact CG2-CD2 3.96Å; V259-L370 HydrophobicContact CB-CD1 4.47Å; V259-L370 HydrophobicContact CG2-CD1 3.84Å
260V95.2Very high91.3Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-66-42179.51770000110.8W222 T225 C226 L229 M256 I257 Y263 A264 L317 L321W222-V260 HydrophobicContact CB-CG1 3.63Å; W222-V260 WeakPolarHBondContact O-CG1 3.41Å; T225-V260 HydrophobicContact CG2-CG1 4.42Å; T225-V260 HydrophobicContact CG2-CG2 3.8Å; C226-V260 WeakPolarHBondContact SG-CG1 3.34Å; L229-V260 HydrophobicContact CD1-CG2 4.39Å; M256-V260 WeakPolarHBondContact O-CG2 3.33Å; M256-V260 PolarHBondContact O-N 2.84Å; I257-V260 PolarHBondContact O-N 3.27Å; V260-Y263 WeakPolarHBondContact O-CB 3.4Å; V260-Y263 PolarHBondContact O-N 3.42Å; V260-A264 WeakPolarHBondContact O-CB 3.4Å; V260-A264 PolarHBondContact O-N 3.26Å; V260-L317 HydrophobicContact CG1-CD1 4.44Å; V260-L317 HydrophobicContact CG1-CD2 4.11Å; V260-L317 HydrophobicContact CG2-CD1 4.17Å; V260-L317 HydrophobicContact CG2-CD2 4.42Å; V260-L321 HydrophobicContact CG2-CD1 4.35Å; V260-L321 HydrophobicContact CG2-CD2 4Å
261N94.7Very high90.7Very high78 Ų7839.6 Ų39.642%0.41721%0.208SC..Hα-helixtrans-63.6-42.4175.9-73.8-22.3000111.3C226 I257 E258 A264 V265C226-N261 PolarHBondContact SG-OD1 2.98Å; C226-N261 VanDerWaalsContact SG-OD1 3.36Å; I257-N261 WeakPolarHBondContact CG2-ND2 3.29Å; I257-N261 VanDerWaalsContact O-CB 3.31Å; I257-N261 WeakPolarHBondContact O-CB 3.5Å; I257-N261 PolarHBondContact O-N 3.21Å; I257-N261 PolarHBondContact O-ND2 3.26Å; E258-N261 PolarHBondContact O-N 3.15Å; N261-A264 PolarHBondContact O-N 3.44Å; N261-V265 WeakPolarHBondContact O-CG2 3.39Å; N261-V265 PolarHBondContact O-N 3.05Å
262F94.6Very high89.9Confident3 Ų338.1 Ų38.11%0.01321%0.207CC..Hα-helixtrans-59.8-47.8173.7-179.4-96.7000111.5E258 V259 A264 V265 I266 F320 V349 L369 L370 W377E258-F262 WeakPolarHBondContact O-CB 3.4Å; E258-F262 PolarHBondContact O-N 2.79Å; V259-F262 PolarHBondContact O-N 2.88Å; F262-A264 VanDerWaalsContact C-N 3.31Å; F262-A264 PolarHBondContact O-N 3.38Å; F262-V265 PolarHBondContact O-N 3.23Å; F262-I266 HydrophobicContact CD1-CG1 4.14Å; F262-I266 HydrophobicContact CE1-CD1 4.36Å; F262-I266 HydrophobicContact CE1-CG1 3.65Å; F262-I266 HydrophobicContact CE2-CD1 4.16Å; F262-I266 HydrophobicContact CE2-CG1 4.16Å; F262-I266 HydrophobicContact CZ-CD1 3.85Å; F262-I266 HydrophobicContact CZ-CG1 3.66Å; F262-I266 WeakPolarHBondContact O-CG1 3.07Å; F262-I266 PolarHBondContact O-N 3.27Å; F262-F320 AromaticContact CD1-CE1 3.97Å; F262-F320 HydrophobicContact CD1-CE1 3.97Å; F262-F320 AromaticContact CD1-CZ 3.69Å; F262-F320 HydrophobicContact CD1-CZ 3.69Å; F262-F320 AromaticContact CE1-CZ 3.94Å; F262-F320 HydrophobicContact CE1-CZ 3.94Å; F262-V349 HydrophobicContact CE1-CG1 4.09Å; F262-V349 HydrophobicContact CE1-CG2 4.02Å; F262-V349 HydrophobicContact CZ-CG1 3.88Å; F262-L369 HydrophobicContact CD2-CB 3.95Å; F262-L370 HydrophobicContact CB-CB 4.37Å; F262-L370 HydrophobicContact CB-CD1 4.29Å; F262-L370 HydrophobicContact CD1-CB 4.49Å; F262-L370 HydrophobicContact CD1-CD2 3.95Å; F262-L370 HydrophobicContact CD2-CB 3.83Å; F262-L370 HydrophobicContact CE1-CD2 4.13Å; F262-L370 HydrophobicContact CE2-CB 4.24Å; F262-L370 HydrophobicContact CG-CB 3.96Å; F262-L370 HydrophobicContact CG-CD1 4.48Å; F262-L370 HydrophobicContact CG-CD2 4.24Å; F262-L370 HydrophobicContact CG-CG 4.47Å; F262-W377 HydrophobicContact CE1-CH2 4.15Å; F262-W377 HydrophobicContact CE2-CH2 4.33Å; F262-W377 AromaticContact CZ-CH2 3.68Å; F262-W377 HydrophobicContact CZ-CH2 3.68Å; F262-W377 HydrophobicContact CZ-CZ2 4.5Å
263Y94Very high88.3Confident25 Ų2546.3 Ų46.310%0.09824%0.244CC..Hα-helixtrans-56.5-44.5175.4178.7-87.2000111.9V259 V260 V265 I266 S267 F315 L317 F320 F348V259-Y263 PolarHBondContact O-N 3.27Å; V260-Y263 WeakPolarHBondContact O-CB 3.4Å; V260-Y263 PolarHBondContact O-N 3.42Å; Y263-V265 PolarHBondContact O-N 3.49Å; Y263-I266 PolarHBondContact O-N 3.33Å; Y263-S267 VanDerWaalsContact O-CB 3.25Å; Y263-S267 WeakPolarHBondContact O-CB 3.3Å; Y263-S267 PolarHBondContact O-N 2.87Å; Y263-F315 WeakPolarHBondContact CE2-O 3.37Å; Y263-F315 PolarHBondContact OH-O 3.09Å; Y263-L317 HydrophobicContact CD1-CB 4.16Å; Y263-L317 HydrophobicContact CD1-CD1 3.7Å; Y263-L317 HydrophobicContact CD1-CG 4.41Å; Y263-L317 HydrophobicContact CD2-CD1 4.13Å; Y263-L317 HydrophobicContact CE1-CB 3.86Å; Y263-L317 HydrophobicContact CE1-CD1 4.3Å; Y263-L317 HydrophobicContact CE2-CB 4.43Å; Y263-L317 HydrophobicContact CG-CD1 3.62Å; Y263-L317 PolarHBondContact OH-N 3.04Å; Y263-F320 HydrophobicContact CD2-CB 3.83Å; Y263-F320 AromaticContact CD2-CD1 3.79Å; Y263-F320 HydrophobicContact CD2-CD1 3.79Å; Y263-F320 AromaticContact CD2-CG 3.84Å; Y263-F320 HydrophobicContact CD2-CG 3.84Å; Y263-F320 HydrophobicContact CE2-CB 4.21Å; Y263-F320 HydrophobicContact CG-CD1 4.25Å; Y263-F348 HydrophobicContact CD2-CD1 4.34Å; Y263-F348 AromaticContact CD2-CE1 3.35Å; Y263-F348 HydrophobicContact CD2-CE1 3.35Å; Y263-F348 HydrophobicContact CD2-CE2 4.46Å; Y263-F348 AromaticContact CD2-CZ 3.42Å; Y263-F348 HydrophobicContact CD2-CZ 3.42Å; Y263-F348 VanDerWaalsContact CD2-CZ 3.42Å; Y263-F348 HydrophobicContact CE2-CD1 4.37Å; Y263-F348 AromaticContact CE2-CE1 3.59Å; Y263-F348 HydrophobicContact CE2-CE1 3.59Å; Y263-F348 AromaticContact CE2-CE2 3.99Å; Y263-F348 HydrophobicContact CE2-CE2 3.99Å; Y263-F348 AromaticContact CE2-CZ 3.36Å; Y263-F348 HydrophobicContact CE2-CZ 3.36Å; Y263-F348 HydrophobicContact CG-CE1 4.2Å; Y263-F348 HydrophobicContact CG-CZ 4.06Å; Y263-F348 AromaticContact CZ-CZ 3.96Å
264A92.5Very high86.3Confident9 Ų951 Ų517%0.07428%0.277CS..Hα-helixtrans-61.7-41.7178.700000112.4W222 V260 N261 F262 A268W222-A264 HydrophobicContact CB-CB 4.26Å; W222-A264 HydrophobicContact CD2-CB 3.42Å; W222-A264 VanDerWaalsContact CD2-CB 3.42Å; W222-A264 HydrophobicContact CE3-CB 3.33Å; W222-A264 HydrophobicContact CG-CB 3.84Å; W222-A264 HydrophobicContact CH2-CB 4.27Å; W222-A264 HydrophobicContact CZ2-CB 4.37Å; W222-A264 HydrophobicContact CZ3-CB 3.78Å; V260-A264 WeakPolarHBondContact O-CB 3.4Å; V260-A264 PolarHBondContact O-N 3.26Å; N261-A264 PolarHBondContact O-N 3.44Å; F262-A264 VanDerWaalsContact C-N 3.31Å; F262-A264 PolarHBondContact O-N 3.38Å; A264-A268 WeakPolarHBondContact O-CB 3.18Å; A264-A268 PolarHBondContact O-N 3.37Å
265V92.2Very high84.2Confident53 Ų5350.2 Ų50.232%0.32128%0.281SS..Hα-helixtrans-62.7-50.5175.9171.30000110.6N261 F262 Y263 S267 A268 L269 Y366 L369N261-V265 WeakPolarHBondContact O-CG2 3.39Å; N261-V265 PolarHBondContact O-N 3.05Å; F262-V265 PolarHBondContact O-N 3.23Å; Y263-V265 PolarHBondContact O-N 3.49Å; V265-S267 VanDerWaalsContact C-N 3.35Å; V265-S267 PolarHBondContact O-N 3.25Å; V265-A268 WeakPolarHBondContact O-CB 3.42Å; V265-A268 PolarHBondContact O-N 3.39Å; V265-L269 HydrophobicContact CG1-CD1 4.28Å; V265-L269 WeakPolarHBondContact O-CG 3.48Å; V265-L269 PolarHBondContact O-N 3.48Å; V265-Y366 HydrophobicContact CG1-CD1 3.84Å; V265-Y366 HydrophobicContact CG1-CE1 3.62Å; V265-L369 HydrophobicContact CG1-CD1 4.34Å
266I91.3Very high81.8Confident1 Ų156.8 Ų56.81%0.00531%0.311CS..Hα-helixtrans-61.5-43.9179-63-52.6000111.4F262 Y263 A268 L269 G270 F348 F353F262-I266 HydrophobicContact CD1-CG1 4.14Å; F262-I266 HydrophobicContact CE1-CD1 4.36Å; F262-I266 HydrophobicContact CE1-CG1 3.65Å; F262-I266 HydrophobicContact CE2-CD1 4.16Å; F262-I266 HydrophobicContact CE2-CG1 4.16Å; F262-I266 HydrophobicContact CZ-CD1 3.85Å; F262-I266 HydrophobicContact CZ-CG1 3.66Å; F262-I266 WeakPolarHBondContact O-CG1 3.07Å; F262-I266 PolarHBondContact O-N 3.27Å; Y263-I266 PolarHBondContact O-N 3.33Å; I266-A268 VanDerWaalsContact C-N 3.3Å; I266-A268 PolarHBondContact O-N 3.41Å; I266-L269 HydrophobicContact CD1-CD1 4.35Å; I266-L269 PolarHBondContact O-N 3.3Å; I266-G270 PolarHBondContact O-N 2.85Å; I266-F348 HydrophobicContact CB-CE1 3.99Å; I266-F348 HydrophobicContact CB-CZ 3.9Å; I266-F348 HydrophobicContact CG2-CD1 4.06Å; I266-F348 HydrophobicContact CG2-CD2 4.34Å; I266-F348 HydrophobicContact CG2-CE1 3.63Å; I266-F348 HydrophobicContact CG2-CE2 3.95Å; I266-F348 HydrophobicContact CG2-CG 4.4Å; I266-F348 HydrophobicContact CG2-CZ 3.57Å; I266-F348 VanDerWaalsContact CG2-O 3.28Å; I266-F348 WeakPolarHBondContact CG2-O 3.19Å; I266-F353 HydrophobicContact CD1-CE2 3.93Å; I266-F353 HydrophobicContact CD1-CZ 4.3Å
267S89.5Confident79.3Confident30 Ų3063.1 Ų63.121%0.2135%0.345CS..Hα-helixtrans-61.9-37.8176.9-1770000112.1Y263 V265 G270 N271Y263-S267 VanDerWaalsContact O-CB 3.25Å; Y263-S267 WeakPolarHBondContact O-CB 3.3Å; Y263-S267 PolarHBondContact O-N 2.87Å; V265-S267 VanDerWaalsContact C-N 3.35Å; V265-S267 PolarHBondContact O-N 3.25Å; S267-G270 PolarHBondContact O-N 3.13Å; S267-N271 PolarHBondContact O-N 2.76Å; S267-N271 PolarHBondContact O-ND2 2.79Å
268A89.1Confident76.6Confident54 Ų5469.4 Ų69.445%0.44638%0.378SS..Hα-helixtrans-65.2-44.117400000111.8A264 V265 I266 G270 N271 E272A264-A268 WeakPolarHBondContact O-CB 3.18Å; A264-A268 PolarHBondContact O-N 3.37Å; V265-A268 WeakPolarHBondContact O-CB 3.42Å; V265-A268 PolarHBondContact O-N 3.39Å; I266-A268 VanDerWaalsContact C-N 3.3Å; I266-A268 PolarHBondContact O-N 3.41Å; A268-G270 VanDerWaalsContact C-N 3.32Å; A268-G270 PolarHBondContact O-N 3.3Å; A268-N271 PolarHBondContact O-N 2.88Å; A268-E272 PolarHBondContact O-N 2.99Å
269L86.8Confident74.2Confident14 Ų1476.5 Ų76.57%0.07341%0.412CS..Hα-helixtrans-63.7-35.5177-66.6176.4000112.9V265 I266 N271 E272 P352 F353 H356 I357 Y366V265-L269 HydrophobicContact CG1-CD1 4.28Å; V265-L269 WeakPolarHBondContact O-CG 3.48Å; V265-L269 PolarHBondContact O-N 3.48Å; I266-L269 HydrophobicContact CD1-CD1 4.35Å; I266-L269 PolarHBondContact O-N 3.3Å; L269-N271 VanDerWaalsContact C-N 3.29Å; L269-N271 PolarHBondContact O-N 3.22Å; L269-E272 PolarHBondContact O-N 2.92Å; L269-P352 HydrophobicContact CB-CB 4.05Å; L269-P352 HydrophobicContact CB-CG 4.16Å; L269-F353 HydrophobicContact CD1-CZ 3.85Å; L269-H356 PolarHBondContact O-NE2 3.39Å; L269-I357 HydrophobicContact CB-CD1 3.92Å; L269-I357 HydrophobicContact CD1-CD1 4.05Å; L269-I357 HydrophobicContact CD2-CD1 3.75Å; L269-I357 HydrophobicContact CG-CD1 4.11Å; L269-Y366 HydrophobicContact CD1-CD1 4.15Å; L269-Y366 HydrophobicContact CD1-CE1 3.64Å; L269-Y366 HydrophobicContact CD1-CE2 4.43Å
270G82.2Confident71.5Confident35 Ų3584.4 Ų84.436%0.36145%0.449SS..Hα-helixtrans-66.8-29.5175.400000113.4I266 S267 A268I266-G270 PolarHBondContact O-N 2.85Å; S267-G270 PolarHBondContact O-N 3.13Å; A268-G270 VanDerWaalsContact C-N 3.32Å; A268-G270 PolarHBondContact O-N 3.3Å
271N77.4Confident68.9Low128 Ų12889.1 Ų89.168%0.68449%0.487SS*.Hα-helixtrans-83.9-11.5179.8-73.6-41.9000114S267 A268 L269 K273S267-N271 PolarHBondContact O-N 2.76Å; S267-N271 PolarHBondContact O-ND2 2.79Å; A268-N271 PolarHBondContact O-N 2.88Å; L269-N271 VanDerWaalsContact C-N 3.29Å; L269-N271 PolarHBondContact O-N 3.22Å; N271-K273 PolarHBondContact O-N 2.9Å
272E71.7Confident66.4Low112 Ų11290.1 Ų90.152%0.52349%0.489SS..SBendtrans-69.9121.1177.4-74.4-171.2164.800111A268 L269 S274A268-E272 PolarHBondContact O-N 2.99Å; L269-E272 PolarHBondContact O-N 2.92Å; E272-S274 PolarHBondContact O-N 2.77Å
273K57.2Low64Low199 Ų19994.8 Ų94.887%0.86552%0.522SS*.  trans-73.9110.1173.6-67.8-176.2-179.7-178.40109.4N271 S275N271-K273 PolarHBondContact O-N 2.9Å; K273-S275 PolarHBondContact O-N 2.79Å
274S50.3Low61.8Low100 Ų10096.1 Ų96.170%0.69953%0.532SS*.  trans6.378.9163.8550000116.3E272E272-S274 PolarHBondContact O-N 2.77Å
275S45.7Very low59.8Low71 Ų71101.5 Ų101.550%0.49757%0.569SS.*  trans-83.8115.3158.157.30000108K273 L277K273-S275 PolarHBondContact O-N 2.79Å; S275-L277 PolarHBondContact O-N 2.99Å
276K38.6Very low57.9Low213 Ų213101.3 Ų101.393%0.92657%0.565SS**  trans-50.8109.2167.7-68.5178.9175-176.60108.3
277L41Very low56.1Low137 Ų137101.9 Ų101.972%0.71757%0.569SS**  trans-106131.6171.6-82.1169.2000109.6S275S275-L277 PolarHBondContact O-N 2.99Å
278D38.9Very low54.7Low155 Ų155104.7 Ų104.783%0.82958%0.581SS**  trans-54.8129.6-174.7-72-47.9000112.5Q280D278-Q280 PolarHBondContact O-N 3.2Å; D278-Q280 VanDerWaalsContact O-N 3.11Å
279E41.4Very low53.5Low190 Ų190106.1 Ų106.189%0.88859%0.586SS**  trans-63.7102.3173.4-65.5172.1169.500110.1
280Q37.9Very low52.4Low166 Ų166112.4 Ų112.478%0.77661%0.613SS**  trans-112.990.6151.4-68.6-167.5-6.100107.5D278 E282D278-Q280 PolarHBondContact O-N 3.2Å; D278-Q280 VanDerWaalsContact O-N 3.11Å; Q280-E282 PolarHBondContact O-N 2.83Å
281A39Very low51.5Low98 Ų98113.2 Ų113.281%0.8161%0.611SS**  trans-65.482.3171.500000109.3S283A281-S283 PolarHBondContact O-N 2.88Å
282E42.7Very low50.8Low99 Ų99108.2 Ų108.246%0.46358%0.584SS.*PPolyproline II helixtrans-74.3122.2168.1-75.2-172.2168.300109.5Q280 N284 R364Q280-E282 PolarHBondContact O-N 2.83Å; E282-N284 PolarHBondContact O-N 2.7Å; E282-R364 IonicContact OE2-CZ 3.63Å; E282-R364 IonicContact OE2-NH1 3.83Å; E282-R364 PolarHBondContact OE2-NH1 2.89Å; E282-R364 IonicContact OE2-NH2 2.78Å; E282-R364 PolarHBondContact OE2-NH2 3.38Å
283S45.1Very low50.6Low101 Ų101107.6 Ų107.671%0.70658%0.581SS**PPolyproline II helixtrans-62116.3-177.457.10000111.6A281A281-S283 PolarHBondContact O-N 2.88Å
284N46.8Very low51Low54 Ų54100.1 Ų100.129%0.28956%0.556SS.*PPolyproline II helixtrans-69.9131.5161-76.2-34.6000108.8E282 L286 N360 V404E282-N284 PolarHBondContact O-N 2.7Å; N284-L286 PolarHBondContact O-N 3.08Å; N284-N360 PolarHBondContact ND2-OD1 3.27Å; N284-V404 HydrophobicContact CB-CG1 4.43Å
285S51Low51.9Low122 Ų12295.4 Ų95.485%0.85352%0.523SS*.THydrogen-bonded Turntrans-81.6-2.6-168.454.70000116
286L51.6Low53Low48 Ų4894.6 Ų94.625%0.25151%0.513SS..THydrogen-bonded Turntrans-84.6-30.7-172.5-83.6141.3000114.5N284 V404N284-L286 PolarHBondContact O-N 3.08Å; L286-V404 HydrophobicContact CB-CG1 3.99Å; L286-V404 HydrophobicContact CD1-CG1 4.25Å
287I55.1Low54.4Low14 Ų1490.1 Ų90.17%0.07250%0.496CS..SBendtrans-135.7121.5-176.2-55.4-175.1000106.3V291 I292 V404 F439 V443I287-V291 HydrophobicContact CG2-CB 3.45Å; I287-V291 VanDerWaalsContact CG2-CB 3.45Å; I287-V291 HydrophobicContact CG2-CG1 3.48Å; I287-V291 VanDerWaalsContact CG2-CG1 3.48Å; I287-V291 HydrophobicContact CG2-CG2 4.38Å; I287-I292 HydrophobicContact CB-CG1 4.47Å; I287-I292 HydrophobicContact CG2-CG1 3.92Å; I287-V404 HydrophobicContact CD1-CG2 3.47Å; I287-V404 VanDerWaalsContact CD1-CG2 3.47Å; I287-V404 HydrophobicContact CG1-CG2 4.22Å; I287-F439 HydrophobicContact CD1-CD2 4.23Å; I287-F439 HydrophobicContact CD1-CE2 3.41Å; I287-F439 VanDerWaalsContact CD1-CE2 3.41Å; I287-F439 HydrophobicContact CD1-CZ 4.01Å; I287-V443 HydrophobicContact CD1-CG2 3.57Å; I287-V443 HydrophobicContact CG1-CG2 4.42Å
288D59.8Low55.5Low89 Ų8990 Ų9048%0.47649%0.489SS..  trans-50.8130.7170.8-173.3-21.4000109F290 V291 I292D288-F290 PolarHBondContact O-N 3.35Å; D288-F290 VanDerWaalsContact OD1-CD2 3.23Å; D288-F290 WeakPolarHBondContact OD1-CD2 3.45Å; D288-F290 PolarHBondContact OD1-N 3.42Å; D288-V291 HydrophobicContact CB-CG2 4.19Å; D288-V291 WeakPolarHBondContact O-CA 3.47Å; D288-V291 WeakPolarHBondContact O-CB 3.36Å; D288-V291 PolarHBondContact O-N 2.77Å; D288-I292 PolarHBondContact O-N 2.81Å
289P62.3Low56.8Low84 Ų8482.8 Ų82.855%0.54545%0.451SS..Hα-helixtrans-44.2-34.2171.2-29.233.2000113.4V291 I292 Q293P289-V291 VanDerWaalsContact C-N 3.29Å; P289-V291 PolarHBondContact O-N 2.8Å; P289-I292 PolarHBondContact O-N 2.89Å; P289-Q293 WeakPolarHBondContact O-CB 3.35Å; P289-Q293 PolarHBondContact O-N 3.02Å
290F64.8Low57.7Low145 Ų14577 Ų7764%0.63643%0.432SS*.Hα-helixtrans-61.3-32.7174.7-76.7-72.5000113.8D288 A294D288-F290 PolarHBondContact O-N 3.35Å; D288-F290 VanDerWaalsContact OD1-CD2 3.23Å; D288-F290 WeakPolarHBondContact OD1-CD2 3.45Å; D288-F290 PolarHBondContact OD1-N 3.42Å; F290-A294 VanDerWaalsContact O-CB 3.28Å; F290-A294 WeakPolarHBondContact O-CB 3.49Å; F290-A294 PolarHBondContact O-N 2.81Å
291V63.2Low58.6Low52 Ų5274.6 Ų74.632%0.31542%0.424SS..Hα-helixtrans-75.3-39.2177.1172.70000110.9I287 D288 P289 Q293 A294 L295 T442I287-V291 HydrophobicContact CG2-CB 3.45Å; I287-V291 VanDerWaalsContact CG2-CB 3.45Å; I287-V291 HydrophobicContact CG2-CG1 3.48Å; I287-V291 VanDerWaalsContact CG2-CG1 3.48Å; I287-V291 HydrophobicContact CG2-CG2 4.38Å; D288-V291 HydrophobicContact CB-CG2 4.19Å; D288-V291 WeakPolarHBondContact O-CA 3.47Å; D288-V291 WeakPolarHBondContact O-CB 3.36Å; D288-V291 PolarHBondContact O-N 2.77Å; P289-V291 VanDerWaalsContact C-N 3.29Å; P289-V291 PolarHBondContact O-N 2.8Å; V291-Q293 VanDerWaalsContact C-N 3.3Å; V291-A294 PolarHBondContact O-N 2.95Å; V291-L295 HydrophobicContact CG1-CD1 4.35Å; V291-L295 WeakPolarHBondContact O-CB 3.15Å; V291-L295 WeakPolarHBondContact O-CG 3.3Å; V291-L295 PolarHBondContact O-N 3.28Å; V291-T442 HydrophobicContact CG1-CG2 4.41Å
292I63.7Low59.5Low24 Ų2471 Ų7112%0.12339%0.391CS..Hα-helixtrans-62-43.6172.4-65174.6000109.4I287 D288 P289 L295 N296 E397I287-I292 HydrophobicContact CB-CG1 4.47Å; I287-I292 HydrophobicContact CG2-CG1 3.92Å; D288-I292 PolarHBondContact O-N 2.81Å; P289-I292 PolarHBondContact O-N 2.89Å; I292-L295 PolarHBondContact O-N 2.85Å; I292-N296 WeakPolarHBondContact O-CB 3.31Å; I292-N296 PolarHBondContact O-N 2.97Å; I292-E397 HydrophobicContact CG2-CG 3.98Å
293Q67Low59.9Low98 Ų9873.8 Ų73.846%0.45840%0.403SS..Hα-helixtrans-61.4-47.4175.4-173.4-179-12.400111.7P289 V291 L295 N296 E297P289-Q293 WeakPolarHBondContact O-CB 3.35Å; P289-Q293 PolarHBondContact O-N 3.02Å; V291-Q293 VanDerWaalsContact C-N 3.3Å; Q293-L295 VanDerWaalsContact C-N 3.32Å; Q293-L295 PolarHBondContact O-N 3.45Å; Q293-N296 CarbonylContact O-C 3.58Å; Q293-N296 PolarHBondContact O-N 3.4Å; Q293-N296 VanDerWaalsContact O-N 3.13Å; Q293-E297 PolarHBondContact NE2-OE1 2.94Å; Q293-E297 WeakPolarHBondContact O-CG 3.32Å; Q293-E297 PolarHBondContact O-N 2.79Å
294A66.2Low60.3Low42 Ų4271.7 Ų71.735%0.34739%0.388SS..Hα-helixtrans-64-35.2178.500000112.8F290 V291 K298F290-A294 VanDerWaalsContact O-CB 3.28Å; F290-A294 WeakPolarHBondContact O-CB 3.49Å; F290-A294 PolarHBondContact O-N 2.81Å; V291-A294 PolarHBondContact O-N 2.95Å; A294-K298 WeakPolarHBondContact O-CG 3.3Å; A294-K298 PolarHBondContact O-N 2.81Å; A294-K298 VanDerWaalsContact O-N 3.13Å
295L67.7Low60.6Low2 Ų274.2 Ų74.21%0.0140%0.402CS..Hα-helixtrans-66.6-46.2170.9-77.7172.7000110.6V291 I292 Q293 E297 K298 L299 L400 E438 F439 T442V291-L295 HydrophobicContact CG1-CD1 4.35Å; V291-L295 WeakPolarHBondContact O-CB 3.15Å; V291-L295 WeakPolarHBondContact O-CG 3.3Å; V291-L295 PolarHBondContact O-N 3.28Å; I292-L295 PolarHBondContact O-N 2.85Å; Q293-L295 VanDerWaalsContact C-N 3.32Å; Q293-L295 PolarHBondContact O-N 3.45Å; L295-E297 VanDerWaalsContact C-N 3.32Å; L295-E297 PolarHBondContact O-N 2.86Å; L295-K298 PolarHBondContact O-N 3.27Å; L295-L299 HydrophobicContact CB-CD1 4.21Å; L295-L299 WeakPolarHBondContact O-CB 3.44Å; L295-L299 WeakPolarHBondContact O-CD1 3.41Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 2.77Å; L295-L400 HydrophobicContact CD1-CD1 4.21Å; L295-E438 HydrophobicContact CD2-CB 3.95Å; L295-F439 HydrophobicContact CD1-CB 4.39Å; L295-F439 HydrophobicContact CD1-CD2 4.05Å; L295-T442 HydrophobicContact CD1-CG2 4.23Å; L295-T442 HydrophobicContact CD2-CG2 3.84Å; L295-T442 HydrophobicContact CG-CG2 4.22Å
296N68.8Low60.7Low53 Ų5373.7 Ų73.728%0.28338%0.382SS..Hα-helixtrans-62.6-39.6179.3-160.519000111.4I292 Q293 L299 S300I292-N296 WeakPolarHBondContact O-CB 3.31Å; I292-N296 PolarHBondContact O-N 2.97Å; Q293-N296 CarbonylContact O-C 3.58Å; Q293-N296 PolarHBondContact O-N 3.4Å; Q293-N296 VanDerWaalsContact O-N 3.13Å; N296-L299 CarbonylContact O-C 3.56Å; N296-L299 PolarHBondContact O-N 2.79Å; N296-S300 WeakPolarHBondContact O-CA 3.43Å; N296-S300 VanDerWaalsContact O-CB 3.25Å; N296-S300 WeakPolarHBondContact O-CB 2.98Å; N296-S300 PolarHBondContact O-N 3.42Å
297E67.6Low60.9Low120 Ų12074.5 Ų74.556%0.56139%0.386SS*.Hα-helixtrans-60.9-47172.8-75174.2-168.800111.5Q293 L295 L299 S300Q293-E297 PolarHBondContact NE2-OE1 2.94Å; Q293-E297 WeakPolarHBondContact O-CG 3.32Å; Q293-E297 PolarHBondContact O-N 2.79Å; L295-E297 VanDerWaalsContact C-N 3.32Å; L295-E297 PolarHBondContact O-N 2.86Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.1Å; E297-S300 PolarHBondContact O-OG 3.38Å
298K66Low60.9Low133 Ų13377.8 Ų77.858%0.57841%0.408SS*.Hα-helixtrans-64.2-33.5176.1-76176.1179.3178.20113.4A294 L295A294-K298 WeakPolarHBondContact O-CG 3.3Å; A294-K298 PolarHBondContact O-N 2.81Å; A294-K298 VanDerWaalsContact O-N 3.13Å; L295-K298 PolarHBondContact O-N 3.27Å
299L65Low60.8Low5 Ų580.4 Ų80.43%0.02642%0.422CS..Hα-helixtrans-98.1-8.2-173.2-61.9168.4000112.7L295 N296 E297 N301 I302 T396 C435 E438L295-L299 HydrophobicContact CB-CD1 4.21Å; L295-L299 WeakPolarHBondContact O-CB 3.44Å; L295-L299 WeakPolarHBondContact O-CD1 3.41Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 2.77Å; N296-L299 CarbonylContact O-C 3.56Å; N296-L299 PolarHBondContact O-N 2.79Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.1Å; L299-N301 PolarHBondContact O-N 2.76Å; L299-N301 VanDerWaalsContact O-N 3.14Å; L299-I302 HydrophobicContact CD2-CD1 3.51Å; L299-I302 WeakPolarHBondContact O-CA 3.25Å; L299-I302 VanDerWaalsContact O-CB 3.28Å; L299-I302 WeakPolarHBondContact O-CB 3.32Å; L299-I302 PolarHBondContact O-N 3.47Å; L299-T396 HydrophobicContact CB-CG2 4.38Å; L299-T396 HydrophobicContact CD1-CG2 3.78Å; L299-C435 HydrophobicContact CD1-CB 4.25Å; L299-C435 HydrophobicContact CD2-CB 4.12Å; L299-E438 HydrophobicContact CD2-CG 4.42Å
300S60.7Low60.8Low69 Ų6979.2 Ų79.248%0.48341%0.411SS..THydrogen-bonded Turntrans-57.8-28.7179.560.60000112.9N296 E297 I302N296-S300 WeakPolarHBondContact O-CA 3.43Å; N296-S300 VanDerWaalsContact O-CB 3.25Å; N296-S300 WeakPolarHBondContact O-CB 2.98Å; N296-S300 PolarHBondContact O-N 3.42Å; E297-S300 PolarHBondContact O-OG 3.38Å; S300-I302 VanDerWaalsContact C-N 3.26Å; S300-I302 PolarHBondContact O-N 2.79Å
301N57.4Low60.4Low115 Ų11580.7 Ų80.762%0.61542%0.42SS*.THydrogen-bonded Turntrans-74.9-13.7175.5-64.7-26.4000113.6L299 H303 Y479L299-N301 PolarHBondContact O-N 2.76Å; L299-N301 VanDerWaalsContact O-N 3.14Å; N301-H303 PolarHBondContact O-N 2.97Å; N301-Y479 PolarHBondContact O-OH 2.76Å
302I57.6Low60.2Low22 Ų2282.2 Ų82.211%0.11343%0.429CS..SBendtrans-84.587.1173-62177.4000106.5L299 S300 S304 P431 L434 Y479L299-I302 HydrophobicContact CD2-CD1 3.51Å; L299-I302 WeakPolarHBondContact O-CA 3.25Å; L299-I302 VanDerWaalsContact O-CB 3.28Å; L299-I302 WeakPolarHBondContact O-CB 3.32Å; L299-I302 PolarHBondContact O-N 3.47Å; S300-I302 VanDerWaalsContact C-N 3.26Å; S300-I302 PolarHBondContact O-N 2.79Å; I302-S304 PolarHBondContact O-N 3.25Å; I302-P431 HydrophobicContact CB-CB 4.41Å; I302-P431 HydrophobicContact CG2-CB 3.23Å; I302-L434 HydrophobicContact CD1-CB 4.35Å; I302-L434 HydrophobicContact CD1-CD2 3.94Å; I302-L434 HydrophobicContact CD1-CG 4.19Å; I302-Y479 HydrophobicContact CG1-CE2 4.36Å
303H51.4Low60Low158 Ų15884.6 Ų84.673%0.73145%0.448SS*.  trans-56.8115.3171.3-74-65.6000108.5N301 L305N301-H303 PolarHBondContact O-N 2.97Å; H303-L305 PolarHBondContact O-N 2.92Å; H303-L305 VanDerWaalsContact O-N 3.1Å
304S53.2Low60.1Low56 Ų5685.3 Ų85.339%0.39246%0.463SS..  trans-59.2116.7170.747.80000107.1I302 Y306I302-S304 PolarHBondContact O-N 3.25Å; S304-Y306 PolarHBondContact O-N 2.92Å
305L52.5Low61Low108 Ų10884.2 Ų84.257%0.56545%0.451SS*.  trans-67.481.6174.9-70.8163.1000107.7H303H303-L305 PolarHBondContact O-N 2.92Å; H303-L305 VanDerWaalsContact O-N 3.1Å
306Y53.7Low62.1Low110 Ų11085.7 Ų85.743%0.43146%0.462SS..BIsolated β-bridgetrans-80.8122.6164.8169.3-117.8000107.1S304 P308 P391S304-Y306 PolarHBondContact O-N 2.92Å; Y306-P308 HydrophobicContact CD1-CB 4.49Å; Y306-P308 HydrophobicContact CE1-CB 3.63Å; Y306-P308 HydrophobicContact CE1-CG 4.28Å; Y306-P308 WeakPolarHBondContact OH-CA 3.45Å; Y306-P391 WeakPolarHBondContact CE2-O 3.39Å
307D55.7Low63.2Low66 Ų6683.3 Ų83.335%0.35345%0.449SS..  trans-106.7107.3170.7-170.6-14.4000107.8D309 I310 V389D307-D309 PolarHBondContact O-N 3Å; D307-D309 PolarHBondContact OD1-N 3.27Å; D307-D309 VanDerWaalsContact OD1-N 3.09Å; D307-I310 HydrophobicContact CB-CD1 3.75Å; D307-I310 HydrophobicContact CB-CG1 3.93Å; D307-V389 HydrophobicContact CB-CG1 3.73Å
308P54.1Low64.4Low82 Ų8278.2 Ų78.253%0.53243%0.426SS..THydrogen-bonded Turntrans-67.9-17.9-178.827.3-33.3000113.5Y306 I310Y306-P308 HydrophobicContact CD1-CB 4.49Å; Y306-P308 HydrophobicContact CE1-CB 3.63Å; Y306-P308 HydrophobicContact CE1-CG 4.28Å; Y306-P308 WeakPolarHBondContact OH-CA 3.45Å; P308-I310 PolarHBondContact O-N 3.17Å
309D57.7Low65.6Low144 Ų14476.8 Ų76.877%0.7742%0.422SS*.THydrogen-bonded Turntrans-82-4.6-175.1-66.3-25000112.6D307 E311D307-D309 PolarHBondContact O-N 3Å; D307-D309 PolarHBondContact OD1-N 3.27Å; D307-D309 VanDerWaalsContact OD1-N 3.09Å; D309-E311 PolarHBondContact O-N 2.96Å
310I63.1Low66.9Low59 Ų5976.7 Ų76.730%0.30342%0.421SS..  trans-81.8115.2-179.8-61.1-177.7000110.3D307 P308 V312 V389 P391D307-I310 HydrophobicContact CB-CD1 3.75Å; D307-I310 HydrophobicContact CB-CG1 3.93Å; P308-I310 PolarHBondContact O-N 3.17Å; I310-V312 PolarHBondContact O-N 3.03Å; I310-V389 HydrophobicContact CD1-CB 3.34Å; I310-V389 HydrophobicContact CD1-CG1 3.32Å; I310-V389 HydrophobicContact CD1-CG2 4Å; I310-P391 HydrophobicContact CG2-CB 4.36Å
311E56.8Low68.4Low177 Ų17773.7 Ų73.783%0.82740%0.4SS*.  trans-60.6133.4170.7-66.5-174.7169.500110.9D309 S313D309-E311 PolarHBondContact O-N 2.96Å; E311-S313 PolarHBondContact O-N 3.46Å
312V59.5Low70Confident84 Ų8469.8 Ų69.851%0.50939%0.386SS..  trans-65.199.5171.5-178.30000107.9I310 S314 P391I310-V312 PolarHBondContact O-N 3.03Å; V312-S314 PolarHBondContact O-N 3.29Å; V312-P391 HydrophobicContact CG2-CB 3.86Å; V312-P391 HydrophobicContact CG2-CG 4.17Å
313S58.2Low71.6Confident73 Ų7368.9 Ų68.951%0.5138%0.382SS..PPolyproline II helixtrans-66124.3176.560.70000110.1E311 F315E311-S313 PolarHBondContact O-N 3.46Å; S313-F315 PolarHBondContact O-N 3.09Å
314S70Confident73.5Confident113 Ų11361.4 Ų61.479%0.7935%0.347SS*.PPolyproline II helixtrans-67119.4169.8590000109.8V312V312-S314 PolarHBondContact O-N 3.29Å
315F84.2Confident75.2Confident19 Ų1959.9 Ų59.98%0.08334%0.338CS..PPolyproline II helixtrans-86.3118.2177.1-163.2-103.6000110.2Y263 S313 E319 F320 L323 N344 A345 F348Y263-F315 WeakPolarHBondContact CE2-O 3.37Å; Y263-F315 PolarHBondContact OH-O 3.09Å; S313-F315 PolarHBondContact O-N 3.09Å; F315-E319 HydrophobicContact CE1-CB 4.2Å; F315-E319 HydrophobicContact CE2-CB 4.12Å; F315-E319 HydrophobicContact CZ-CB 3.86Å; F315-F320 HydrophobicContact CD1-CB 4.11Å; F315-F320 HydrophobicContact CD1-CD2 4.3Å; F315-F320 HydrophobicContact CE1-CB 3.63Å; F315-F320 AromaticContact CE1-CD2 3.76Å; F315-F320 HydrophobicContact CE1-CD2 3.76Å; F315-F320 HydrophobicContact CE1-CG 4.18Å; F315-L323 HydrophobicContact CE1-CD1 4.33Å; F315-L323 HydrophobicContact CZ-CD1 4.13Å; F315-N344 HydrophobicContact CD2-CB 3.95Å; F315-N344 HydrophobicContact CE2-CB 3.7Å; F315-A345 HydrophobicContact CE1-CB 4.33Å; F315-A345 HydrophobicContact CZ-CB 4.11Å; F315-F348 HydrophobicContact CB-CB 3.71Å; F315-F348 HydrophobicContact CB-CD2 4.13Å; F315-F348 HydrophobicContact CB-CG 3.94Å; F315-F348 HydrophobicContact CD1-CB 4.15Å; F315-F348 HydrophobicContact CD1-CD1 4.16Å; F315-F348 HydrophobicContact CD1-CG 4.18Å; F315-F348 HydrophobicContact CG-CB 4.06Å; F315-F348 HydrophobicContact CG-CG 4.4Å
316S90.2Very high76.9Confident34 Ų3455.8 Ų55.824%0.23832%0.316CS..PPolyproline II helixtrans-82.4154.9-170.470.30000113E319 F320S316-E319 WeakPolarHBondContact CB-OE2 3.48Å; S316-E319 PolarHBondContact N-OE2 3.44Å; S316-E319 PolarHBondContact O-N 2.92Å; S316-E319 WeakPolarHBondContact OG-CB 3.35Å; S316-E319 WeakPolarHBondContact OG-CG 3.4Å; S316-E319 PolarHBondContact OG-N 3.41Å; S316-E319 PolarHBondContact OG-OE2 3.36Å; S316-F320 PolarHBondContact O-N 3.47Å
317L93.4Very high78Confident2 Ų256.5 Ų56.51%0.0133%0.327CS..Hα-helixtrans-59.8-42.6176.2177.963.2000113.3L220 W222 T225 V260 Y263 E319 F320 L321L220-L317 HydrophobicContact CB-CB 4.4Å; L220-L317 HydrophobicContact CB-CD2 3.88Å; L220-L317 HydrophobicContact CB-CG 4.33Å; W222-L317 HydrophobicContact CB-CD2 3.96Å; T225-L317 HydrophobicContact CG2-CD2 4.4Å; V260-L317 HydrophobicContact CG1-CD1 4.44Å; V260-L317 HydrophobicContact CG1-CD2 4.11Å; V260-L317 HydrophobicContact CG2-CD1 4.17Å; V260-L317 HydrophobicContact CG2-CD2 4.42Å; Y263-L317 HydrophobicContact CD1-CB 4.16Å; Y263-L317 HydrophobicContact CD1-CD1 3.7Å; Y263-L317 HydrophobicContact CD1-CG 4.41Å; Y263-L317 HydrophobicContact CD2-CD1 4.13Å; Y263-L317 HydrophobicContact CE1-CB 3.86Å; Y263-L317 HydrophobicContact CE1-CD1 4.3Å; Y263-L317 HydrophobicContact CE2-CB 4.43Å; Y263-L317 HydrophobicContact CG-CD1 3.62Å; Y263-L317 PolarHBondContact OH-N 3.04Å; L317-E319 VanDerWaalsContact C-N 3.33Å; L317-E319 PolarHBondContact O-N 3.26Å; L317-F320 PolarHBondContact O-N 2.98Å; L317-L321 HydrophobicContact CD1-CD1 4.31Å; L317-L321 HydrophobicContact CD1-CG 4.1Å; L317-L321 HydrophobicContact CG-CD1 4.11Å; L317-L321 HydrophobicContact CG-CG 4.37Å; L317-L321 WeakPolarHBondContact O-CG 3.46Å; L317-L321 PolarHBondContact O-N 2.73Å
318P92.2Very high78.7Confident14 Ų1456.5 Ų56.59%0.09133%0.331CS..Hα-helixtrans-59.3-41.8175-22.932.9000113A217 L220 F320 L321 G322A217-P318 HydrophobicContact CB-CB 4.17Å; A217-P318 HydrophobicContact CB-CG 4.01Å; A217-P318 WeakPolarHBondContact O-CB 3.38Å; L220-P318 HydrophobicContact CB-CG 4.12Å; L220-P318 HydrophobicContact CD1-CB 4.5Å; L220-P318 HydrophobicContact CD1-CG 3.98Å; L220-P318 HydrophobicContact CG-CG 3.87Å; P318-F320 VanDerWaalsContact C-N 3.34Å; P318-F320 PolarHBondContact O-N 2.77Å; P318-L321 PolarHBondContact O-N 3.07Å; P318-G322 PolarHBondContact O-N 3.48Å
319E91Very high79.6Confident103 Ų10362.2 Ų62.248%0.48135%0.347SS..Hα-helixtrans-62-42.6175.9-72.7167.5146.600111.3F315 S316 L317 G322F315-E319 HydrophobicContact CE1-CB 4.2Å; F315-E319 HydrophobicContact CE2-CB 4.12Å; F315-E319 HydrophobicContact CZ-CB 3.86Å; S316-E319 WeakPolarHBondContact CB-OE2 3.48Å; S316-E319 PolarHBondContact N-OE2 3.44Å; S316-E319 PolarHBondContact O-N 2.92Å; S316-E319 WeakPolarHBondContact OG-CB 3.35Å; S316-E319 WeakPolarHBondContact OG-CG 3.4Å; S316-E319 PolarHBondContact OG-N 3.41Å; S316-E319 PolarHBondContact OG-OE2 3.36Å; L317-E319 VanDerWaalsContact C-N 3.33Å; L317-E319 PolarHBondContact O-N 3.26Å; E319-G322 WeakPolarHBondContact O-CA 3.23Å; E319-G322 PolarHBondContact O-N 2.94Å
320F93.3Very high80.6Confident2 Ų262 Ų621%0.00934%0.342CS..Hα-helixtrans-64.8-47.5177.2-167.3-113.3000112.5V259 F262 Y263 F315 S316 L317 P318 G322 L323 F324 F348 V349V259-F320 HydrophobicContact CG1-CD1 3.61Å; V259-F320 HydrophobicContact CG1-CE1 3.5Å; F262-F320 AromaticContact CD1-CE1 3.97Å; F262-F320 HydrophobicContact CD1-CE1 3.97Å; F262-F320 AromaticContact CD1-CZ 3.69Å; F262-F320 HydrophobicContact CD1-CZ 3.69Å; F262-F320 AromaticContact CE1-CZ 3.94Å; F262-F320 HydrophobicContact CE1-CZ 3.94Å; Y263-F320 HydrophobicContact CD2-CB 3.83Å; Y263-F320 AromaticContact CD2-CD1 3.79Å; Y263-F320 HydrophobicContact CD2-CD1 3.79Å; Y263-F320 AromaticContact CD2-CG 3.84Å; Y263-F320 HydrophobicContact CD2-CG 3.84Å; Y263-F320 HydrophobicContact CE2-CB 4.21Å; Y263-F320 HydrophobicContact CG-CD1 4.25Å; F315-F320 HydrophobicContact CD1-CB 4.11Å; F315-F320 HydrophobicContact CD1-CD2 4.3Å; F315-F320 HydrophobicContact CE1-CB 3.63Å; F315-F320 AromaticContact CE1-CD2 3.76Å; F315-F320 HydrophobicContact CE1-CD2 3.76Å; F315-F320 HydrophobicContact CE1-CG 4.18Å; S316-F320 PolarHBondContact O-N 3.47Å; L317-F320 PolarHBondContact O-N 2.98Å; P318-F320 VanDerWaalsContact C-N 3.34Å; P318-F320 PolarHBondContact O-N 2.77Å; F320-G322 PolarHBondContact O-N 3.42Å; F320-L323 HydrophobicContact CD2-CD1 4.02Å; F320-L323 WeakPolarHBondContact O-CB 3.34Å; F320-L323 PolarHBondContact O-N 2.86Å; F320-L323 VanDerWaalsContact O-N 3.16Å; F320-F324 HydrophobicContact CD1-CE2 4.05Å; F320-F324 HydrophobicContact CD2-CE2 4.24Å; F320-F324 AromaticContact CE1-CE2 3.84Å; F320-F324 HydrophobicContact CE1-CE2 3.84Å; F320-F324 HydrophobicContact CE1-CZ 4.33Å; F320-F324 HydrophobicContact CE2-CE2 4.03Å; F320-F324 HydrophobicContact CE2-CZ 4.08Å; F320-F324 HydrophobicContact CG-CE2 4.26Å; F320-F324 AromaticContact CZ-CE2 3.81Å; F320-F324 HydrophobicContact CZ-CE2 3.81Å; F320-F324 AromaticContact CZ-CZ 3.88Å; F320-F324 HydrophobicContact CZ-CZ 3.88Å; F320-F324 WeakPolarHBondContact O-CD2 3.47Å; F320-F324 WeakPolarHBondContact O-CE2 3.37Å; F320-F348 HydrophobicContact CD2-CD1 4.5Å; F320-V349 HydrophobicContact CE2-CG2 3.98Å; F320-V349 HydrophobicContact CZ-CG2 4.44Å
321L91.9Very high81.7Confident7 Ų759.4 Ų59.44%0.03733%0.329CS..Hα-helixtrans-58.6-35.5172.6-74.3174.4000111.7L220 M256 V259 V260 L317 P318 L323 F324 F326L220-L321 HydrophobicContact CD1-CD1 4.15Å; M256-L321 HydrophobicContact CE-CD1 4.5Å; V259-L321 HydrophobicContact CB-CD2 4.21Å; V259-L321 HydrophobicContact CG1-CD2 3.83Å; V260-L321 HydrophobicContact CG2-CD1 4.35Å; V260-L321 HydrophobicContact CG2-CD2 4Å; L317-L321 HydrophobicContact CD1-CD1 4.31Å; L317-L321 HydrophobicContact CD1-CG 4.1Å; L317-L321 HydrophobicContact CG-CD1 4.11Å; L317-L321 HydrophobicContact CG-CG 4.37Å; L317-L321 WeakPolarHBondContact O-CG 3.46Å; L317-L321 PolarHBondContact O-N 2.73Å; P318-L321 PolarHBondContact O-N 3.07Å; L321-L323 PolarHBondContact O-N 3.01Å; L321-L323 VanDerWaalsContact O-N 3.13Å; L321-F324 PolarHBondContact O-N 3.25Å; L321-F326 HydrophobicContact CD2-CZ 3.88Å
322G90Very high83.2Confident32 Ų3253.4 Ų53.433%0.3330%0.304SS..Hα-helixtrans-57.2-23.4177.800000114.4P318 E319 F320 K334P318-G322 PolarHBondContact O-N 3.48Å; E319-G322 WeakPolarHBondContact O-CA 3.23Å; E319-G322 PolarHBondContact O-N 2.94Å; F320-G322 PolarHBondContact O-N 3.42Å; G322-K334 WeakPolarHBondContact O-CD 3.2Å; G322-K334 WeakPolarHBondContact O-CE 3.4Å; G322-K334 PolarHBondContact O-NZ 2.87Å
323L90.8Very high84.8Confident4 Ų450.9 Ų50.92%0.02129%0.286CS..THydrogen-bonded Turntrans-78-22-177.7-56.9172.1000113.8F315 F320 L321 F333 K334 I337 Q341 A345F315-L323 HydrophobicContact CE1-CD1 4.33Å; F315-L323 HydrophobicContact CZ-CD1 4.13Å; F320-L323 HydrophobicContact CD2-CD1 4.02Å; F320-L323 WeakPolarHBondContact O-CB 3.34Å; F320-L323 PolarHBondContact O-N 2.86Å; F320-L323 VanDerWaalsContact O-N 3.16Å; L321-L323 PolarHBondContact O-N 3.01Å; L321-L323 VanDerWaalsContact O-N 3.13Å; L323-F333 HydrophobicContact CB-CD1 4.36Å; L323-F333 WeakPolarHBondContact O-CA 3.39Å; L323-K334 PolarHBondContact O-N 3.36Å; L323-I337 HydrophobicContact CB-CD1 4.29Å; L323-I337 HydrophobicContact CD2-CD1 4.42Å; L323-I337 HydrophobicContact CD2-CG2 4.36Å; L323-I337 WeakPolarHBondContact O-CD1 3.41Å; L323-Q341 HydrophobicContact CD2-CB 3.96Å; L323-A345 HydrophobicContact CD1-CB 3.4Å; L323-A345 VanDerWaalsContact CD1-CB 3.4Å
324F92.8Very high86.2Confident1 Ų151.6 Ų51.60%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-107.1143.4-166.4-57.8-75.3000113.4V259 F320 L321 F326 L331 F333 K334 L370 L372V259-F324 HydrophobicContact CG1-CD2 3.73Å; V259-F324 HydrophobicContact CG1-CE2 3.71Å; V259-F324 HydrophobicContact CG2-CD2 4.15Å; V259-F324 HydrophobicContact CG2-CE2 4.5Å; V259-F324 HydrophobicContact CG2-CG 4.39Å; F320-F324 HydrophobicContact CD1-CE2 4.05Å; F320-F324 HydrophobicContact CD2-CE2 4.24Å; F320-F324 AromaticContact CE1-CE2 3.84Å; F320-F324 HydrophobicContact CE1-CE2 3.84Å; F320-F324 HydrophobicContact CE1-CZ 4.33Å; F320-F324 HydrophobicContact CE2-CE2 4.03Å; F320-F324 HydrophobicContact CE2-CZ 4.08Å; F320-F324 HydrophobicContact CG-CE2 4.26Å; F320-F324 AromaticContact CZ-CE2 3.81Å; F320-F324 HydrophobicContact CZ-CE2 3.81Å; F320-F324 AromaticContact CZ-CZ 3.88Å; F320-F324 HydrophobicContact CZ-CZ 3.88Å; F320-F324 WeakPolarHBondContact O-CD2 3.47Å; F320-F324 WeakPolarHBondContact O-CE2 3.37Å; L321-F324 PolarHBondContact O-N 3.25Å; F324-F326 HydrophobicContact CB-CE1 4.12Å; F324-F326 HydrophobicContact CB-CE2 4.04Å; F324-F326 HydrophobicContact CB-CZ 3.74Å; F324-F326 WeakPolarHBondContact O-CE2 3.36Å; F324-L331 HydrophobicContact CB-CD1 3.93Å; F324-L331 HydrophobicContact CD1-CD1 4.17Å; F324-L331 HydrophobicContact CD1-CD2 4.15Å; F324-L331 HydrophobicContact CD1-CG 4.04Å; F324-L331 HydrophobicContact CE1-CD2 4.42Å; F324-L331 HydrophobicContact CG-CD1 4.24Å; F324-F333 HydrophobicContact CD1-CD1 4.03Å; F324-F333 HydrophobicContact CD1-CE1 4.15Å; F324-F333 AromaticContact CE1-CD1 3.85Å; F324-F333 HydrophobicContact CE1-CD1 3.85Å; F324-F333 AromaticContact CE1-CE1 3.49Å; F324-F333 HydrophobicContact CE1-CE1 3.49Å; F324-F333 VanDerWaalsContact CE1-CE1 3.49Å; F324-F333 HydrophobicContact CZ-CE1 4.11Å; F324-K334 WeakPolarHBondContact O-CE 3.22Å; F324-K334 WeakPolarHBondContact O-CG 3.18Å; F324-L370 HydrophobicContact CZ-CD2 4.31Å; F324-L372 HydrophobicContact CD1-CD2 4.2Å; F324-L372 HydrophobicContact CE1-CD1 3.86Å; F324-L372 HydrophobicContact CE1-CD2 3.9Å; F324-L372 HydrophobicContact CE1-CG 4.24Å; F324-L372 HydrophobicContact CZ-CD1 4.45Å
325A89Confident86.9Confident24 Ų2455.7 Ų55.720%0.19829%0.287CS..EExtended strand (participates in β ladder)trans-95115.4169.100000109.6V332 K334A325-V332 HydrophobicContact CB-CG2 3.99Å; A325-V332 PolarHBondContact N-O 2.84Å; A325-K334 HydrophobicContact CB-CG 4.24Å
326F86.4Confident86.8Confident22 Ų2258.7 Ų58.710%0.09632%0.323CS..  trans-93.7-5.8-174.9-60-80.2000114.4R252 R255 M256 V259 L321 F324 C328 L331R252-F326 HydrophobicContact CB-CB 4.43Å; R252-F326 HydrophobicContact CG-CB 3.75Å; R255-F326 HydrophobicContact CB-CD1 3.9Å; M256-F326 HydrophobicContact CB-CD1 4.44Å; M256-F326 HydrophobicContact CB-CE1 4.16Å; M256-F326 HydrophobicContact CG-CD1 3.5Å; M256-F326 VanDerWaalsContact CG-CD1 3.5Å; M256-F326 HydrophobicContact CG-CD2 3.98Å; M256-F326 HydrophobicContact CG-CE1 3.45Å; M256-F326 VanDerWaalsContact CG-CE1 3.45Å; M256-F326 HydrophobicContact CG-CE2 3.96Å; M256-F326 HydrophobicContact CG-CG 3.76Å; M256-F326 HydrophobicContact CG-CZ 3.7Å; M256-F326 HydrophobicContact SD-CD2 4.46Å; V259-F326 HydrophobicContact CB-CE1 4.36Å; V259-F326 HydrophobicContact CG2-CE1 3.74Å; V259-F326 HydrophobicContact CG2-CZ 4.24Å; L321-F326 HydrophobicContact CD2-CZ 3.88Å; F324-F326 HydrophobicContact CB-CE1 4.12Å; F324-F326 HydrophobicContact CB-CE2 4.04Å; F324-F326 HydrophobicContact CB-CZ 3.74Å; F324-F326 WeakPolarHBondContact O-CE2 3.36Å; F326-C328 VanDerWaalsContact C-N 3.32Å; F326-L331 HydrophobicContact CD1-CD1 4.31Å; F326-L331 HydrophobicContact CE1-CD1 4.29Å
327N78.5Confident86.7Confident125 Ų12558.9 Ų58.967%0.66832%0.321SS*.SBendtrans-890.2-176.6-62.5-12.4000113
328C69.9Low86.5Confident65 Ų6561.3 Ų61.344%0.43934%0.338SS..SBendtrans-95.1160.3-176.3-64.50000111.6F326 E330 V332F326-C328 VanDerWaalsContact C-N 3.32Å; C328-E330 VanDerWaalsContact C-N 3.3Å; C328-E330 VanDerWaalsContact CB-O 3.24Å; C328-E330 WeakPolarHBondContact CB-O 3.35Å; C328-E330 PolarHBondContact O-N 3.29Å; C328-V332 HydrophobicContact CB-CG2 4.12Å
329K72.2Confident86.3Confident202 Ų20263.7 Ų63.788%0.87836%0.355SS*.SBendtrans-63.6-38.9174.6-71.8-175.4177.1-178.70112R255R255-K329 PolarHBondContact NH2-O 2.93Å
330E79.9Confident86.2Confident141 Ų14162.8 Ų62.866%0.65935%0.351SS*.SBendtrans-111148.3177.4-66.5177.2-174.200109.2C328 V332C328-E330 VanDerWaalsContact C-N 3.3Å; C328-E330 VanDerWaalsContact CB-O 3.24Å; C328-E330 WeakPolarHBondContact CB-O 3.35Å; C328-E330 PolarHBondContact O-N 3.29Å; E330-V332 PolarHBondContact O-N 2.97Å
331L85.8Confident86Confident4 Ų467.1 Ų67.12%0.02137%0.371CS..BIsolated β-bridgetrans-70.3119.7175.9-172.769.5000108.3V259 F324 F326 L370 L372V259-L331 HydrophobicContact CG2-CD1 4.21Å; V259-L331 HydrophobicContact CG2-CD2 3.96Å; F324-L331 HydrophobicContact CB-CD1 3.93Å; F324-L331 HydrophobicContact CD1-CD1 4.17Å; F324-L331 HydrophobicContact CD1-CD2 4.15Å; F324-L331 HydrophobicContact CD1-CG 4.04Å; F324-L331 HydrophobicContact CE1-CD2 4.42Å; F324-L331 HydrophobicContact CG-CD1 4.24Å; F326-L331 HydrophobicContact CD1-CD1 4.31Å; F326-L331 HydrophobicContact CE1-CD1 4.29Å; L331-L370 HydrophobicContact CD2-CD1 3.46Å; L331-L370 VanDerWaalsContact CD2-CD1 3.46Å; L331-L370 HydrophobicContact CD2-CG 3.87Å; L331-L372 HydrophobicContact CB-CD2 4.4Å; L331-L372 HydrophobicContact CD2-CD2 4.02Å; L331-L372 HydrophobicContact CD2-CG 4.05Å; L331-L372 HydrophobicContact CG-CD2 3.98Å
332V89.2Confident86Confident50 Ų5067.2 Ų67.230%0.30337%0.372SS..EExtended strand (participates in β ladder)trans-131.6158179-62.70000109.8A325 C328 E330A325-V332 HydrophobicContact CB-CG2 3.99Å; A325-V332 PolarHBondContact N-O 2.84Å; C328-V332 HydrophobicContact CB-CG2 4.12Å; E330-V332 PolarHBondContact O-N 2.97Å
333F91.6Very high85.9Confident31 Ų3165.7 Ų65.714%0.13636%0.356CS..EExtended strand (participates in β ladder)trans-65.1145168.9-71.1-45.5000111L323 F324 I337 L342 L372 S376 M380L323-F333 HydrophobicContact CB-CD1 4.36Å; L323-F333 WeakPolarHBondContact O-CA 3.39Å; F324-F333 HydrophobicContact CD1-CD1 4.03Å; F324-F333 HydrophobicContact CD1-CE1 4.15Å; F324-F333 AromaticContact CE1-CD1 3.85Å; F324-F333 HydrophobicContact CE1-CD1 3.85Å; F324-F333 AromaticContact CE1-CE1 3.49Å; F324-F333 HydrophobicContact CE1-CE1 3.49Å; F324-F333 VanDerWaalsContact CE1-CE1 3.49Å; F324-F333 HydrophobicContact CZ-CE1 4.11Å; F333-I337 HydrophobicContact CB-CD1 3.61Å; F333-I337 HydrophobicContact CD1-CD1 4.1Å; F333-I337 HydrophobicContact CG-CD1 4.1Å; F333-L342 HydrophobicContact CD1-CD2 4.15Å; F333-L342 HydrophobicContact CD2-CD2 4.09Å; F333-L342 HydrophobicContact CE1-CD2 3.92Å; F333-L342 HydrophobicContact CE2-CD2 3.83Å; F333-L342 HydrophobicContact CG-CD2 4.25Å; F333-L342 HydrophobicContact CZ-CD2 3.76Å; F333-L372 HydrophobicContact CE1-CD1 4.48Å; F333-L372 HydrophobicContact CZ-CD1 4.27Å; F333-S376 WeakPolarHBondContact CE2-O 3.26Å; F333-M380 HydrophobicContact CZ-CB 4.33Å; F333-M380 HydrophobicContact CZ-SD 4.2Å
334K88.3Confident85.8Confident88 Ų8868.1 Ų68.138%0.38337%0.369SS..PPolyproline II helixtrans-57.3151.3170-67.5-170.8-171.5162.60111.3G322 L323 F324 A325 I337G322-K334 WeakPolarHBondContact O-CD 3.2Å; G322-K334 WeakPolarHBondContact O-CE 3.4Å; G322-K334 PolarHBondContact O-NZ 2.87Å; L323-K334 PolarHBondContact O-N 3.36Å; F324-K334 WeakPolarHBondContact O-CE 3.22Å; F324-K334 WeakPolarHBondContact O-CG 3.18Å; A325-K334 HydrophobicContact CB-CG 4.24Å; K334-I337 HydrophobicContact CB-CD1 4.2Å; K334-I337 HydrophobicContact CB-CG1 4.12Å; K334-I337 WeakPolarHBondContact O-CG1 3.47Å
335E83.6Confident85.8Confident199 Ų19968 Ų6893%0.9337%0.369SS*.THydrogen-bonded Turntrans-68.4138.6171.2-64-175.5173.900110.4
336G83.7Confident85.9Confident83 Ų8366.9 Ų66.986%0.85636%0.359SS*.THydrogen-bonded Turntrans83.812.7176.500000115.9S338G336-S338 PolarHBondContact O-N 3.37Å
337I87.5Confident85.9Confident37 Ų3766.5 Ų66.519%0.1936%0.358CS..  trans-61.8133.1172.9-64.2176.3000110.3L323 F333 K334 Q341 L342L323-I337 HydrophobicContact CB-CD1 4.29Å; L323-I337 HydrophobicContact CD2-CD1 4.42Å; L323-I337 HydrophobicContact CD2-CG2 4.36Å; L323-I337 WeakPolarHBondContact O-CD1 3.41Å; F333-I337 HydrophobicContact CB-CD1 3.61Å; F333-I337 HydrophobicContact CD1-CD1 4.1Å; F333-I337 HydrophobicContact CG-CD1 4.1Å; K334-I337 HydrophobicContact CB-CD1 4.2Å; K334-I337 HydrophobicContact CB-CG1 4.12Å; K334-I337 WeakPolarHBondContact O-CG1 3.47Å; I337-Q341 HydrophobicContact CG2-CB 3.82Å; I337-L342 HydrophobicContact CG2-CD1 4.44Å; I337-L342 HydrophobicContact CG2-CD2 4.07Å; I337-L342 HydrophobicContact CG2-CG 3.76Å
338S90Very high86.5Confident53 Ų5361.7 Ų61.737%0.37133%0.331SS..  trans-74.3146.1174.565.60000111.5G336 Q340 Q341 L342G336-S338 PolarHBondContact O-N 3.37Å; S338-Q340 PolarHBondContact O-N 3.35Å; S338-Q340 VanDerWaalsContact O-N 3.09Å; S338-Q341 PolarHBondContact O-N 3.48Å; S338-Q341 VanDerWaalsContact OG-CG 3.25Å; S338-Q341 WeakPolarHBondContact OG-CG 3.24Å; S338-Q341 PolarHBondContact OG-N 3.24Å; S338-Q341 PolarHBondContact OG-OE1 3.25Å; S338-L342 PolarHBondContact O-N 3.02Å
339S86.7Confident87.5Confident64 Ų6458.6 Ų58.645%0.44831%0.311SS..Hα-helixtrans-57.7-27.2174.9-450000112.4A343S339-A343 WeakPolarHBondContact O-CB 3.22Å; S339-A343 PolarHBondContact O-N 3.2Å
340Q88.5Confident88.4Confident85 Ų8549 Ų4940%0.39727%0.269SS..Hα-helixtrans-67.8-42.2175.2-170.163.241.600112.5S338 L342 A343 N344 V387S338-Q340 PolarHBondContact O-N 3.35Å; S338-Q340 VanDerWaalsContact O-N 3.09Å; Q340-L342 VanDerWaalsContact C-N 3.32Å; Q340-L342 PolarHBondContact O-N 3.27Å; Q340-A343 WeakPolarHBondContact O-CB 3.32Å; Q340-A343 PolarHBondContact O-N 2.83Å; Q340-N344 PolarHBondContact NE2-OD1 3.27Å; Q340-N344 VanDerWaalsContact O-CG 3.28Å; Q340-N344 PolarHBondContact O-N 2.93Å; Q340-N344 PolarHBondContact O-OD1 2.99Å; Q340-V387 VanDerWaalsContact OE1-CG1 3.26Å
341Q89.9Confident88.8Confident92 Ų9244.6 Ų44.643%0.4325%0.248SC..Hα-helixtrans-62.4-41.2176.2-77.8166.9-49.500111.5L323 I337 S338 A343 N344 A345L323-Q341 HydrophobicContact CD2-CB 3.96Å; I337-Q341 HydrophobicContact CG2-CB 3.82Å; S338-Q341 PolarHBondContact O-N 3.48Å; S338-Q341 VanDerWaalsContact OG-CG 3.25Å; S338-Q341 WeakPolarHBondContact OG-CG 3.24Å; S338-Q341 PolarHBondContact OG-N 3.24Å; S338-Q341 PolarHBondContact OG-OE1 3.25Å; Q341-A343 VanDerWaalsContact C-N 3.33Å; Q341-N344 PolarHBondContact O-N 2.8Å; Q341-A345 WeakPolarHBondContact O-CB 3.36Å; Q341-A345 PolarHBondContact O-N 2.82Å
342L91.3Very high88.8Confident10 Ų1044.4 Ų44.45%0.05225%0.247CC..Hα-helixtrans-65.8-36.1173.8-69177.5000112.2F333 I337 S338 Q340 A345 G346 L379 M380F333-L342 HydrophobicContact CD1-CD2 4.15Å; F333-L342 HydrophobicContact CD2-CD2 4.09Å; F333-L342 HydrophobicContact CE1-CD2 3.92Å; F333-L342 HydrophobicContact CE2-CD2 3.83Å; F333-L342 HydrophobicContact CG-CD2 4.25Å; F333-L342 HydrophobicContact CZ-CD2 3.76Å; I337-L342 HydrophobicContact CG2-CD1 4.44Å; I337-L342 HydrophobicContact CG2-CD2 4.07Å; I337-L342 HydrophobicContact CG2-CG 3.76Å; S338-L342 PolarHBondContact O-N 3.02Å; Q340-L342 VanDerWaalsContact C-N 3.32Å; Q340-L342 PolarHBondContact O-N 3.27Å; L342-A345 PolarHBondContact O-N 3.36Å; L342-G346 PolarHBondContact O-N 3.17Å; L342-L379 HydrophobicContact CD1-CD2 4.01Å; L342-L379 HydrophobicContact CD1-CG 4Å; L342-M380 WeakPolarHBondContact O-CG 3.5Å
343A89.2Confident88.7Confident0 Ų042 Ų420%023%0.233CC..Hα-helixtrans-65.6-44.6176.800000111.9S339 Q340 Q341 G346 N347 S383 V387S339-A343 WeakPolarHBondContact O-CB 3.22Å; S339-A343 PolarHBondContact O-N 3.2Å; Q340-A343 WeakPolarHBondContact O-CB 3.32Å; Q340-A343 PolarHBondContact O-N 2.83Å; Q341-A343 VanDerWaalsContact C-N 3.33Å; A343-G346 PolarHBondContact O-N 2.89Å; A343-N347 PolarHBondContact O-N 3.27Å; A343-S383 WeakPolarHBondContact CB-O 3.44Å; A343-V387 HydrophobicContact CB-CB 3.94Å; A343-V387 HydrophobicContact CB-CG1 4.34Å
344N89Confident88.3Confident54 Ų5440.7 Ų40.729%0.28923%0.227SC..Hα-helixtrans-63.6-42.4175.9-65-0.4000111.5F315 Q340 Q341 N347 F348F315-N344 HydrophobicContact CD2-CB 3.95Å; F315-N344 HydrophobicContact CE2-CB 3.7Å; Q340-N344 PolarHBondContact NE2-OD1 3.27Å; Q340-N344 VanDerWaalsContact O-CG 3.28Å; Q340-N344 PolarHBondContact O-N 2.93Å; Q340-N344 PolarHBondContact O-OD1 2.99Å; Q341-N344 PolarHBondContact O-N 2.8Å; N344-N347 WeakPolarHBondContact O-CB 3.42Å; N344-N347 PolarHBondContact O-N 2.81Å; N344-F348 PolarHBondContact O-N 3.47Å; N344-F348 VanDerWaalsContact O-N 3.11Å
345A91.2Very high87.9Confident0 Ų039.4 Ų39.40%023%0.227CC..Hα-helixtrans-62.6-42.9174.700000111.7F315 L323 Q341 L342 N347 F348 V349 M380F315-A345 HydrophobicContact CE1-CB 4.33Å; F315-A345 HydrophobicContact CZ-CB 4.11Å; L323-A345 HydrophobicContact CD1-CB 3.4Å; L323-A345 VanDerWaalsContact CD1-CB 3.4Å; Q341-A345 WeakPolarHBondContact O-CB 3.36Å; Q341-A345 PolarHBondContact O-N 2.82Å; L342-A345 PolarHBondContact O-N 3.36Å; A345-N347 VanDerWaalsContact C-N 3.34Å; A345-N347 PolarHBondContact O-N 3.38Å; A345-F348 PolarHBondContact O-N 3.09Å; A345-V349 VanDerWaalsContact O-CG2 3.3Å; A345-V349 WeakPolarHBondContact O-CG2 3.46Å; A345-V349 PolarHBondContact O-N 2.81Å; A345-M380 HydrophobicContact CB-SD 3.9Å
346G91.1Very high87.7Confident0 Ų032.7 Ų32.70%020%0.195CC..Hα-helixtrans-64.4-37175.800000112.6L342 A343 V349 F350L342-G346 PolarHBondContact O-N 3.17Å; A343-G346 PolarHBondContact O-N 2.89Å; G346-V349 PolarHBondContact O-N 2.81Å; G346-F350 VanDerWaalsContact O-CB 3.31Å; G346-F350 WeakPolarHBondContact O-CB 3.49Å; G346-F350 WeakPolarHBondContact O-CD2 3.43Å; G346-F350 WeakPolarHBondContact O-CG 3.23Å; G346-F350 PolarHBondContact O-N 3.35Å
347N87.9Confident87.7Confident14 Ų1430 Ų308%0.07516%0.161CC..Hα-helixtrans-58.6-51.7173-168.957.8000110.4A343 N344 A345 V349 E351 F384 Y392A343-N347 PolarHBondContact O-N 3.27Å; N344-N347 WeakPolarHBondContact O-CB 3.42Å; N344-N347 PolarHBondContact O-N 2.81Å; A345-N347 VanDerWaalsContact C-N 3.34Å; A345-N347 PolarHBondContact O-N 3.38Å; N347-V349 PolarHBondContact O-N 3Å; N347-E351 WeakPolarHBondContact O-CB 3.11Å; N347-E351 PolarHBondContact O-N 2.98Å; N347-F384 HydrophobicContact CB-CD2 4.07Å; N347-F384 HydrophobicContact CB-CE2 4.15Å; N347-Y392 WeakPolarHBondContact OD1-CE1 3.41Å; N347-Y392 PolarHBondContact OD1-OH 2.78Å
348F90.1Very high87.4Confident24 Ų2431.4 Ų31.411%0.10517%0.174CC..Hα-helixtrans-59.5-45.5176.7170.1-108.2000113.5Y263 I266 F315 F320 N344 A345Y263-F348 HydrophobicContact CD2-CD1 4.34Å; Y263-F348 AromaticContact CD2-CE1 3.35Å; Y263-F348 HydrophobicContact CD2-CE1 3.35Å; Y263-F348 HydrophobicContact CD2-CE2 4.46Å; Y263-F348 AromaticContact CD2-CZ 3.42Å; Y263-F348 HydrophobicContact CD2-CZ 3.42Å; Y263-F348 VanDerWaalsContact CD2-CZ 3.42Å; Y263-F348 HydrophobicContact CE2-CD1 4.37Å; Y263-F348 AromaticContact CE2-CE1 3.59Å; Y263-F348 HydrophobicContact CE2-CE1 3.59Å; Y263-F348 AromaticContact CE2-CE2 3.99Å; Y263-F348 HydrophobicContact CE2-CE2 3.99Å; Y263-F348 AromaticContact CE2-CZ 3.36Å; Y263-F348 HydrophobicContact CE2-CZ 3.36Å; Y263-F348 HydrophobicContact CG-CE1 4.2Å; Y263-F348 HydrophobicContact CG-CZ 4.06Å; Y263-F348 AromaticContact CZ-CZ 3.96Å; I266-F348 HydrophobicContact CB-CE1 3.99Å; I266-F348 HydrophobicContact CB-CZ 3.9Å; I266-F348 HydrophobicContact CG2-CD1 4.06Å; I266-F348 HydrophobicContact CG2-CD2 4.34Å; I266-F348 HydrophobicContact CG2-CE1 3.63Å; I266-F348 HydrophobicContact CG2-CE2 3.95Å; I266-F348 HydrophobicContact CG2-CG 4.4Å; I266-F348 HydrophobicContact CG2-CZ 3.57Å; I266-F348 VanDerWaalsContact CG2-O 3.28Å; I266-F348 WeakPolarHBondContact CG2-O 3.19Å; F315-F348 HydrophobicContact CB-CB 3.71Å; F315-F348 HydrophobicContact CB-CD2 4.13Å; F315-F348 HydrophobicContact CB-CG 3.94Å; F315-F348 HydrophobicContact CD1-CB 4.15Å; F315-F348 HydrophobicContact CD1-CD1 4.16Å; F315-F348 HydrophobicContact CD1-CG 4.18Å; F315-F348 HydrophobicContact CG-CB 4.06Å; F315-F348 HydrophobicContact CG-CG 4.4Å; F320-F348 HydrophobicContact CD2-CD1 4.5Å; N344-F348 PolarHBondContact O-N 3.47Å; N344-F348 VanDerWaalsContact O-N 3.11Å; A345-F348 PolarHBondContact O-N 3.09Å
349V91.7Very high86.9Confident0 Ų029.7 Ų29.70%016%0.161CC..Hα-helixtrans-74.6-40.4-174.2176.40000112.7F262 F320 A345 G346 N347 F353 F362 W377 M380F262-V349 HydrophobicContact CE1-CG1 4.09Å; F262-V349 HydrophobicContact CE1-CG2 4.02Å; F262-V349 HydrophobicContact CZ-CG1 3.88Å; F320-V349 HydrophobicContact CE2-CG2 3.98Å; F320-V349 HydrophobicContact CZ-CG2 4.44Å; A345-V349 VanDerWaalsContact O-CG2 3.3Å; A345-V349 WeakPolarHBondContact O-CG2 3.46Å; A345-V349 PolarHBondContact O-N 2.81Å; G346-V349 PolarHBondContact O-N 2.81Å; N347-V349 PolarHBondContact O-N 3Å; V349-F353 WeakPolarHBondContact O-CD2 3.46Å; V349-F353 WeakPolarHBondContact O-CE2 3.22Å; V349-F362 HydrophobicContact CG1-CE2 3.98Å; V349-F362 HydrophobicContact CG1-CZ 4.36Å; V349-W377 HydrophobicContact CG1-CH2 4.36Å; V349-W377 HydrophobicContact CG1-CZ3 3.93Å; V349-M380 HydrophobicContact CB-CE 4.31Å; V349-M380 HydrophobicContact CG1-CE 4.38Å; V349-M380 HydrophobicContact CG2-CE 4.29Å
350F90.4Very high86.5Confident0 Ų028.3 Ų28.30%015%0.149CC..Hα-helixtrans-94-16.3-172.5-56.4-53.2000113.8G346 F353 L354 F362 W377 M380 L381 F384 L402G346-F350 VanDerWaalsContact O-CB 3.31Å; G346-F350 WeakPolarHBondContact O-CB 3.49Å; G346-F350 WeakPolarHBondContact O-CD2 3.43Å; G346-F350 WeakPolarHBondContact O-CG 3.23Å; G346-F350 PolarHBondContact O-N 3.35Å; F350-F353 PolarHBondContact O-N 2.98Å; F350-F353 VanDerWaalsContact O-N 3.11Å; F350-L354 HydrophobicContact CB-CD1 3.94Å; F350-L354 HydrophobicContact CB-CG 4.41Å; F350-L354 WeakPolarHBondContact O-CG 3.05Å; F350-L354 PolarHBondContact O-N 3.48Å; F350-L354 VanDerWaalsContact O-N 3.09Å; F350-F362 HydrophobicContact CD1-CE2 4.48Å; F350-F362 HydrophobicContact CD1-CZ 4.34Å; F350-F362 HydrophobicContact CE1-CD1 4.46Å; F350-F362 AromaticContact CE1-CE1 3.8Å; F350-F362 HydrophobicContact CE1-CE1 3.8Å; F350-F362 HydrophobicContact CE1-CE2 4.25Å; F350-F362 AromaticContact CE1-CZ 3.69Å; F350-F362 HydrophobicContact CE1-CZ 3.69Å; F350-W377 HydrophobicContact CE1-CE3 4.3Å; F350-W377 HydrophobicContact CE1-CZ3 4.37Å; F350-W377 HydrophobicContact CZ-CE3 4.08Å; F350-W377 HydrophobicContact CZ-CZ3 4.37Å; F350-M380 HydrophobicContact CE2-CE 4.13Å; F350-M380 HydrophobicContact CE2-CG 4.32Å; F350-M380 HydrophobicContact CZ-CE 3.88Å; F350-L381 HydrophobicContact CD2-CD1 3.7Å; F350-L381 HydrophobicContact CE2-CB 3.83Å; F350-L381 HydrophobicContact CE2-CD1 3.69Å; F350-L381 HydrophobicContact CE2-CG 4.37Å; F350-L381 HydrophobicContact CG-CD1 4.22Å; F350-L381 HydrophobicContact CZ-CB 4.01Å; F350-L381 HydrophobicContact CZ-CD1 4.16Å; F350-F384 HydrophobicContact CD2-CG 4.48Å; F350-L402 HydrophobicContact CB-CD2 4.34Å; F350-L402 HydrophobicContact CD1-CD2 3.64Å; F350-L402 HydrophobicContact CE1-CD2 4.07Å; F350-L402 HydrophobicContact CG-CD2 4Å
351E87.4Confident86.2Confident48 Ų4826.9 Ų26.922%0.22414%0.144CC..Hα-helixtrans-46.4-57.8179167.8-179.7-161.700112.9N347 F353 L354 T355 Y392N347-E351 WeakPolarHBondContact O-CB 3.11Å; N347-E351 PolarHBondContact O-N 2.98Å; E351-F353 PolarHBondContact O-N 3.08Å; E351-L354 PolarHBondContact O-N 2.8Å; E351-T355 HydrophobicContact CG-CG2 4.3Å; E351-T355 PolarHBondContact O-N 3.5Å; E351-T355 PolarHBondContact O-OG1 3.16Å; E351-Y392 WeakPolarHBondContact CA-OH 3.11Å; E351-Y392 HydrophobicContact CB-CE1 3.74Å; E351-Y392 WeakPolarHBondContact CB-OH 3.35Å; E351-Y392 HydrophobicContact CG-CD1 4.24Å; E351-Y392 HydrophobicContact CG-CE1 3.68Å
352P86.4Confident86.1Confident1 Ų122.5 Ų22.51%0.00612%0.123CC..Hα-helixtrans-57.1-33.6-176.1-24.434.1000113.5L269 H356 I357L269-P352 HydrophobicContact CB-CB 4.05Å; L269-P352 HydrophobicContact CB-CG 4.16Å; P352-H356 PolarHBondContact O-N 3.1Å; P352-H356 VanDerWaalsContact O-N 3.09Å; P352-I357 HydrophobicContact CB-CD1 3.83Å; P352-I357 HydrophobicContact CB-CG1 4.43Å; P352-I357 VanDerWaalsContact O-CB 3.31Å; P352-I357 WeakPolarHBondContact O-CB 3.5Å; P352-I357 PolarHBondContact O-N 3.19Å
353F87.5Confident85.7Confident0 Ų022.4 Ų22.40%012%0.123CC..Hα-helixtrans-84-14.4-177.7-55.1-80.1000114I266 L269 V349 F350 E351 I357 T359 F362 Y366I266-F353 HydrophobicContact CD1-CE2 3.93Å; I266-F353 HydrophobicContact CD1-CZ 4.3Å; L269-F353 HydrophobicContact CD1-CZ 3.85Å; V349-F353 WeakPolarHBondContact O-CD2 3.46Å; V349-F353 WeakPolarHBondContact O-CE2 3.22Å; F350-F353 PolarHBondContact O-N 2.98Å; F350-F353 VanDerWaalsContact O-N 3.11Å; E351-F353 PolarHBondContact O-N 3.08Å; F353-I357 CarbonylContact C-O 3.3Å; F353-I357 VanDerWaalsContact C-O 3.3Å; F353-I357 WeakPolarHBondContact CA-O 3.4Å; F353-I357 HydrophobicContact CD1-CB 4.04Å; F353-I357 HydrophobicContact CD1-CG2 3.71Å; F353-I357 HydrophobicContact CE1-CG2 3.91Å; F353-T359 WeakPolarHBondContact O-CG2 3.41Å; F353-F362 HydrophobicContact CD1-CB 3.73Å; F353-F362 HydrophobicContact CD2-CB 4.33Å; F353-F362 AromaticContact CD2-CD2 3.85Å; F353-F362 HydrophobicContact CD2-CD2 3.85Å; F353-F362 HydrophobicContact CD2-CG 4.4Å; F353-F362 HydrophobicContact CE1-CB 3.9Å; F353-F362 HydrophobicContact CE1-CD2 4.24Å; F353-F362 HydrophobicContact CE2-CB 4.48Å; F353-F362 AromaticContact CE2-CD2 3.53Å; F353-F362 HydrophobicContact CE2-CD2 3.53Å; F353-F362 HydrophobicContact CE2-CE2 4.26Å; F353-F362 HydrophobicContact CE2-CG 4.42Å; F353-F362 HydrophobicContact CG-CB 3.95Å; F353-F362 HydrophobicContact CG-CD2 4.34Å; F353-F362 HydrophobicContact CG-CG 4.5Å; F353-F362 HydrophobicContact CZ-CB 4.28Å; F353-F362 AromaticContact CZ-CD2 3.74Å; F353-F362 HydrophobicContact CZ-CD2 3.74Å; F353-Y366 AromaticContact CE1-CD2 3.5Å; F353-Y366 HydrophobicContact CE1-CD2 3.5Å; F353-Y366 VanDerWaalsContact CE1-CD2 3.5Å; F353-Y366 AromaticContact CE1-CE2 3.79Å; F353-Y366 HydrophobicContact CE1-CE2 3.79Å; F353-Y366 HydrophobicContact CE1-CG 4.14Å; F353-Y366 HydrophobicContact CZ-CD1 4.36Å; F353-Y366 AromaticContact CZ-CD2 3.6Å; F353-Y366 HydrophobicContact CZ-CD2 3.6Å; F353-Y366 HydrophobicContact CZ-CE2 4.08Å; F353-Y366 AromaticContact CZ-CG 3.75Å; F353-Y366 HydrophobicContact CZ-CG 3.75Å
354L83.9Confident85.2Confident2 Ų226.8 Ų26.81%0.0114%0.14CC..Hα-helixtrans-100.4-18.3176-64.2174.4000111.5F350 E351 T359 F384 Y392 V394 Q398F350-L354 HydrophobicContact CB-CD1 3.94Å; F350-L354 HydrophobicContact CB-CG 4.41Å; F350-L354 WeakPolarHBondContact O-CG 3.05Å; F350-L354 PolarHBondContact O-N 3.48Å; F350-L354 VanDerWaalsContact O-N 3.09Å; E351-L354 PolarHBondContact O-N 2.8Å; L354-T359 HydrophobicContact CD2-CG2 4.1Å; L354-F384 HydrophobicContact CD1-CE1 3.62Å; L354-F384 HydrophobicContact CD1-CZ 3.71Å; L354-Y392 HydrophobicContact CB-CE2 3.93Å; L354-Y392 HydrophobicContact CD1-CE2 4.37Å; L354-V394 HydrophobicContact CB-CG1 4.46Å; L354-V394 HydrophobicContact CB-CG2 4.18Å; L354-V394 HydrophobicContact CD1-CG1 4.1Å; L354-V394 HydrophobicContact CD1-CG2 4.03Å; L354-V394 HydrophobicContact CD2-CG1 3.99Å; L354-V394 HydrophobicContact CG-CG1 4.41Å; L354-Q398 HydrophobicContact CD2-CB 3.97Å; L354-Q398 PolarHBondContact O-NE2 3.15Å; L354-Q398 VanDerWaalsContact O-NE2 3.07Å
355T79.5Confident85Confident61 Ų6131 Ų3137%0.37415%0.152SC..Hα-helixtrans-101.9-55.8-179.453.20000113.6E351 Y392E351-T355 HydrophobicContact CG-CG2 4.3Å; E351-T355 PolarHBondContact O-N 3.5Å; E351-T355 PolarHBondContact O-OG1 3.16Å; T355-Y392 HydrophobicContact CG2-CD1 4.32Å; T355-Y392 HydrophobicContact CG2-CD2 3.56Å; T355-Y392 HydrophobicContact CG2-CE2 3.98Å; T355-Y392 HydrophobicContact CG2-CG 3.78Å
356H79.4Confident84.8Confident58 Ų5833.5 Ų33.527%0.26916%0.162SC..THydrogen-bonded Turntrans-135.6-8.6-16753.8-87.3000116.2L269 P352L269-H356 PolarHBondContact O-NE2 3.39Å; P352-H356 PolarHBondContact O-N 3.1Å; P352-H356 VanDerWaalsContact O-N 3.09Å
357I82.4Confident84.6Confident28 Ų2834.9 Ų34.914%0.14417%0.169CC..SBendtrans-114.7147.5177.1-55177.9000108.7L269 P352 F353 L361L269-I357 HydrophobicContact CB-CD1 3.92Å; L269-I357 HydrophobicContact CD1-CD1 4.05Å; L269-I357 HydrophobicContact CD2-CD1 3.75Å; L269-I357 HydrophobicContact CG-CD1 4.11Å; P352-I357 HydrophobicContact CB-CD1 3.83Å; P352-I357 HydrophobicContact CB-CG1 4.43Å; P352-I357 VanDerWaalsContact O-CB 3.31Å; P352-I357 WeakPolarHBondContact O-CB 3.5Å; P352-I357 PolarHBondContact O-N 3.19Å; F353-I357 CarbonylContact C-O 3.3Å; F353-I357 VanDerWaalsContact C-O 3.3Å; F353-I357 WeakPolarHBondContact CA-O 3.4Å; F353-I357 HydrophobicContact CD1-CB 4.04Å; F353-I357 HydrophobicContact CD1-CG2 3.71Å; F353-I357 HydrophobicContact CE1-CG2 3.91Å; I357-L361 HydrophobicContact CG2-CB 4.34Å; I357-L361 HydrophobicContact CG2-CD1 3.74Å
358S81.6Confident84.5Confident65 Ų6538.7 Ų38.746%0.45520%0.197SC..  trans-69.9134.8177.4670000112.3N360 L361S358-N360 PolarHBondContact O-N 2.81Å; S358-N360 VanDerWaalsContact O-N 3.16Å; S358-L361 WeakPolarHBondContact O-CB 3.4Å; S358-L361 PolarHBondContact O-N 2.93Å; S358-L361 WeakPolarHBondContact OG-CD1 3.3Å; S358-L361 VanDerWaalsContact OG-CG 3.28Å; S358-L361 WeakPolarHBondContact OG-CG 3.13Å
359T80.4Confident84.4Confident17 Ų1741.4 Ų41.410%0.10421%0.212CC..Hα-helixtrans-59.2-28-179.853.40000113.2F353 L354 L361 F362 Q398 L402F353-T359 WeakPolarHBondContact O-CG2 3.41Å; L354-T359 HydrophobicContact CD2-CG2 4.1Å; T359-L361 VanDerWaalsContact C-N 3.3Å; T359-L361 PolarHBondContact O-N 2.92Å; T359-F362 WeakPolarHBondContact O-CB 3.37Å; T359-F362 PolarHBondContact O-N 2.66Å; T359-Q398 HydrophobicContact CG2-CB 4.3Å; T359-L402 HydrophobicContact CG2-CB 4.34Å
360N77.7Confident84.3Confident35 Ų3541.6 Ų41.619%0.18721%0.213CC..Hα-helixtrans-64-31.6176.4-76.5-26.6000113.3N284 S358 F362 R364N284-N360 PolarHBondContact ND2-OD1 3.27Å; S358-N360 PolarHBondContact O-N 2.81Å; S358-N360 VanDerWaalsContact O-N 3.16Å; N360-F362 VanDerWaalsContact C-N 3.29Å; N360-F362 PolarHBondContact O-N 2.86Å; N360-R364 WeakPolarHBondContact O-CB 3.08Å; N360-R364 WeakPolarHBondContact O-CG 3.36Å; N360-R364 PolarHBondContact O-N 3.08Å
361L83.3Confident84Confident56 Ų5643.7 Ų43.729%0.29323%0.227SC..Hα-helixtrans-67.5-33.2178.8-69.7171.4000111.5I357 S358 T359 R364 Y365 Y366I357-L361 HydrophobicContact CG2-CB 4.34Å; I357-L361 HydrophobicContact CG2-CD1 3.74Å; S358-L361 WeakPolarHBondContact O-CB 3.4Å; S358-L361 PolarHBondContact O-N 2.93Å; S358-L361 WeakPolarHBondContact OG-CD1 3.3Å; S358-L361 VanDerWaalsContact OG-CG 3.28Å; S358-L361 WeakPolarHBondContact OG-CG 3.13Å; T359-L361 VanDerWaalsContact C-N 3.3Å; T359-L361 PolarHBondContact O-N 2.92Å; L361-R364 PolarHBondContact O-N 2.72Å; L361-Y365 HydrophobicContact CD2-CD2 3.69Å; L361-Y365 HydrophobicContact CD2-CE2 3.62Å; L361-Y365 PolarHBondContact O-N 3.02Å; L361-Y366 HydrophobicContact CB-CE2 4.27Å; L361-Y366 WeakPolarHBondContact O-CD2 3.37Å
362F87.2Confident84.1Confident0 Ų042.1 Ų42.10%022%0.22CC..Iπ-helixtrans-57.5-59.1177.6-178.7-100.5000111.1V349 F350 F353 T359 N360 R364 Y366 Q367 W377 L402 L406V349-F362 HydrophobicContact CG1-CE2 3.98Å; V349-F362 HydrophobicContact CG1-CZ 4.36Å; F350-F362 HydrophobicContact CD1-CE2 4.48Å; F350-F362 HydrophobicContact CD1-CZ 4.34Å; F350-F362 HydrophobicContact CE1-CD1 4.46Å; F350-F362 AromaticContact CE1-CE1 3.8Å; F350-F362 HydrophobicContact CE1-CE1 3.8Å; F350-F362 HydrophobicContact CE1-CE2 4.25Å; F350-F362 AromaticContact CE1-CZ 3.69Å; F350-F362 HydrophobicContact CE1-CZ 3.69Å; F353-F362 HydrophobicContact CD1-CB 3.73Å; F353-F362 HydrophobicContact CD2-CB 4.33Å; F353-F362 AromaticContact CD2-CD2 3.85Å; F353-F362 HydrophobicContact CD2-CD2 3.85Å; F353-F362 HydrophobicContact CD2-CG 4.4Å; F353-F362 HydrophobicContact CE1-CB 3.9Å; F353-F362 HydrophobicContact CE1-CD2 4.24Å; F353-F362 HydrophobicContact CE2-CB 4.48Å; F353-F362 AromaticContact CE2-CD2 3.53Å; F353-F362 HydrophobicContact CE2-CD2 3.53Å; F353-F362 HydrophobicContact CE2-CE2 4.26Å; F353-F362 HydrophobicContact CE2-CG 4.42Å; F353-F362 HydrophobicContact CG-CB 3.95Å; F353-F362 HydrophobicContact CG-CD2 4.34Å; F353-F362 HydrophobicContact CG-CG 4.5Å; F353-F362 HydrophobicContact CZ-CB 4.28Å; F353-F362 AromaticContact CZ-CD2 3.74Å; F353-F362 HydrophobicContact CZ-CD2 3.74Å; T359-F362 WeakPolarHBondContact O-CB 3.37Å; T359-F362 PolarHBondContact O-N 2.66Å; N360-F362 VanDerWaalsContact C-N 3.29Å; N360-F362 PolarHBondContact O-N 2.86Å; F362-R364 PolarHBondContact O-N 2.93Å; F362-Y366 PolarHBondContact O-N 2.74Å; F362-Q367 HydrophobicContact CE1-CB 4.23Å; F362-Q367 PolarHBondContact O-N 2.79Å; F362-W377 HydrophobicContact CE1-CE3 4.33Å; F362-W377 HydrophobicContact CE1-CZ3 4.47Å; F362-W377 HydrophobicContact CE2-CH2 4.43Å; F362-W377 HydrophobicContact CE2-CZ3 4.35Å; F362-W377 HydrophobicContact CZ-CD2 4.35Å; F362-W377 AromaticContact CZ-CE3 3.82Å; F362-W377 HydrophobicContact CZ-CE3 3.82Å; F362-W377 AromaticContact CZ-CH2 3.84Å; F362-W377 HydrophobicContact CZ-CH2 3.84Å; F362-W377 HydrophobicContact CZ-CZ2 4.32Å; F362-W377 AromaticContact CZ-CZ3 3.55Å; F362-W377 HydrophobicContact CZ-CZ3 3.55Å; F362-L402 HydrophobicContact CB-CD1 3.86Å; F362-L402 HydrophobicContact CD1-CD1 3.56Å; F362-L402 HydrophobicContact CE1-CD1 4.46Å; F362-L402 HydrophobicContact CG-CD1 3.95Å; F362-L406 HydrophobicContact CE1-CD2 4.15Å
363C81.8Confident84.3Confident7 Ų744.5 Ų44.55%0.04724%0.237CC..Iπ-helixtrans-65.5-27.5-177.9-60.20000112.5R409C363-R409 VanDerWaalsContact O-CZ 3.28Å; C363-R409 PolarHBondContact O-NH1 2.79Å
364R79.5Confident84.3Confident93 Ų9345.1 Ų45.135%0.35124%0.242SC..Iπ-helixtrans-77.7-46.7179.8-80.5-179.1-178.8-164.83.5113.8E282 N360 L361 F362 R409E282-R364 IonicContact OE2-CZ 3.63Å; E282-R364 IonicContact OE2-NH1 3.83Å; E282-R364 PolarHBondContact OE2-NH1 2.89Å; E282-R364 IonicContact OE2-NH2 2.78Å; E282-R364 PolarHBondContact OE2-NH2 3.38Å; N360-R364 WeakPolarHBondContact O-CB 3.08Å; N360-R364 WeakPolarHBondContact O-CG 3.36Å; N360-R364 PolarHBondContact O-N 3.08Å; L361-R364 PolarHBondContact O-N 2.72Å; F362-R364 PolarHBondContact O-N 2.93Å; R364-R409 VanDerWaalsContact CG-NH2 3.31Å
365Y85Confident84.6Confident141 Ų14146.7 Ų46.755%0.55326%0.256SS*.Iπ-helixtrans-120.6-44.4-166.2-61.4-70.3000112.7L361 S368L361-Y365 HydrophobicContact CD2-CD2 3.69Å; L361-Y365 HydrophobicContact CD2-CE2 3.62Å; L361-Y365 PolarHBondContact O-N 3.02Å; Y365-S368 PolarHBondContact O-OG 3.05Å
366Y86.7Confident85.2Confident53 Ų5344.5 Ų44.521%0.20824%0.242CC..Iπ-helixtrans-85.3-32.1-169.8-63.1-81.3000113.3V265 L269 F353 L361 F362 S368 L369V265-Y366 HydrophobicContact CG1-CD1 3.84Å; V265-Y366 HydrophobicContact CG1-CE1 3.62Å; L269-Y366 HydrophobicContact CD1-CD1 4.15Å; L269-Y366 HydrophobicContact CD1-CE1 3.64Å; L269-Y366 HydrophobicContact CD1-CE2 4.43Å; F353-Y366 AromaticContact CE1-CD2 3.5Å; F353-Y366 HydrophobicContact CE1-CD2 3.5Å; F353-Y366 VanDerWaalsContact CE1-CD2 3.5Å; F353-Y366 AromaticContact CE1-CE2 3.79Å; F353-Y366 HydrophobicContact CE1-CE2 3.79Å; F353-Y366 HydrophobicContact CE1-CG 4.14Å; F353-Y366 HydrophobicContact CZ-CD1 4.36Å; F353-Y366 AromaticContact CZ-CD2 3.6Å; F353-Y366 HydrophobicContact CZ-CD2 3.6Å; F353-Y366 HydrophobicContact CZ-CE2 4.08Å; F353-Y366 AromaticContact CZ-CG 3.75Å; F353-Y366 HydrophobicContact CZ-CG 3.75Å; L361-Y366 HydrophobicContact CB-CE2 4.27Å; L361-Y366 WeakPolarHBondContact O-CD2 3.37Å; F362-Y366 PolarHBondContact O-N 2.74Å; Y366-S368 PolarHBondContact O-N 3.38Å; Y366-L369 HydrophobicContact CD1-CD1 3.73Å; Y366-L369 HydrophobicContact CE1-CD1 4.43Å; Y366-L369 WeakPolarHBondContact O-CB 3.41Å; Y366-L369 PolarHBondContact O-N 2.89Å; Y366-L369 VanDerWaalsContact O-N 3.12Å
367Q86.4Confident85.8Confident30 Ų3041.8 Ų41.814%0.1423%0.23CC..G310 helixtrans-58.5-37.5176.9-175-171.7-1.500111.8F362 L369 L370 L406F362-Q367 HydrophobicContact CE1-CB 4.23Å; F362-Q367 PolarHBondContact O-N 2.79Å; Q367-L369 VanDerWaalsContact C-N 3.28Å; Q367-L369 PolarHBondContact O-N 2.95Å; Q367-L370 VanDerWaalsContact O-O 3.08Å; Q367-L406 HydrophobicContact CG-CD2 4.35Å
368S86.1Confident86.3Confident94 Ų9440.4 Ų40.466%0.65722%0.223SC*.G310 helixtrans-77.1-10.2-179.156.20000114.3Y365 Y366 L370Y365-S368 PolarHBondContact O-OG 3.05Å; Y366-S368 PolarHBondContact O-N 3.38Å; S368-L370 PolarHBondContact O-N 3.39Å
369L88.4Confident86.9Confident81 Ų8140.2 Ų40.242%0.42422%0.216SC..G310 helixtrans-74.3-17.2177.8-64.3177.1000112.5F262 V265 Y366 Q367F262-L369 HydrophobicContact CD2-CB 3.95Å; V265-L369 HydrophobicContact CG1-CD1 4.34Å; Y366-L369 HydrophobicContact CD1-CD1 3.73Å; Y366-L369 HydrophobicContact CE1-CD1 4.43Å; Y366-L369 WeakPolarHBondContact O-CB 3.41Å; Y366-L369 PolarHBondContact O-N 2.89Å; Y366-L369 VanDerWaalsContact O-N 3.12Å; Q367-L369 VanDerWaalsContact C-N 3.28Å; Q367-L369 PolarHBondContact O-N 2.95Å
370L89.1Confident87.5Confident3 Ų339.5 Ų39.52%0.01621%0.212CC..SBendtrans-128.2119.7179.1-175.569.9000108.9E258 V259 F262 F324 L331 Q367 S368 L372 W377E258-L370 HydrophobicContact CG-CD1 4.5Å; V259-L370 HydrophobicContact CB-CD1 4.47Å; V259-L370 HydrophobicContact CG2-CD1 3.84Å; F262-L370 HydrophobicContact CB-CB 4.37Å; F262-L370 HydrophobicContact CB-CD1 4.29Å; F262-L370 HydrophobicContact CD1-CB 4.49Å; F262-L370 HydrophobicContact CD1-CD2 3.95Å; F262-L370 HydrophobicContact CD2-CB 3.83Å; F262-L370 HydrophobicContact CE1-CD2 4.13Å; F262-L370 HydrophobicContact CE2-CB 4.24Å; F262-L370 HydrophobicContact CG-CB 3.96Å; F262-L370 HydrophobicContact CG-CD1 4.48Å; F262-L370 HydrophobicContact CG-CD2 4.24Å; F262-L370 HydrophobicContact CG-CG 4.47Å; F324-L370 HydrophobicContact CZ-CD2 4.31Å; L331-L370 HydrophobicContact CD2-CD1 3.46Å; L331-L370 VanDerWaalsContact CD2-CD1 3.46Å; L331-L370 HydrophobicContact CD2-CG 3.87Å; Q367-L370 VanDerWaalsContact O-O 3.08Å; S368-L370 PolarHBondContact O-N 3.39Å; L370-L372 HydrophobicContact CD2-CD1 3.46Å; L370-L372 VanDerWaalsContact CD2-CD1 3.46Å; L370-L372 HydrophobicContact CD2-CG 3.85Å; L370-L372 HydrophobicContact CG-CD1 4.18Å; L370-L372 HydrophobicContact CG-CG 4.01Å; L370-L372 PolarHBondContact O-N 3.42Å; L370-W377 HydrophobicContact CB-CZ2 4.09Å; L370-W377 HydrophobicContact CD2-CH2 3.94Å; L370-W377 HydrophobicContact CD2-CZ2 3.89Å; L370-W377 HydrophobicContact CG-CZ2 4.41Å
371S85.4Confident88.2Confident44 Ų4437.8 Ų37.831%0.30820%0.203SC..  trans-74.346.3-174.278.70000114.3R255 E258R255-S371 PolarHBondContact NH1-OG 2.92Å; E258-S371 VanDerWaalsContact OE1-CB 3.25Å; E258-S371 WeakPolarHBondContact OE1-CB 3.45Å; E258-S371 PolarHBondContact OE1-N 3.32Å; E258-S371 PolarHBondContact OE1-OG 3.43Å
372L89.4Confident88.6Confident16 Ų1635.1 Ų35.18%0.08419%0.189CC..BIsolated β-bridgetrans-85.3144.5172.3-78.8177000111.2F324 L331 F333 L370 W377F324-L372 HydrophobicContact CD1-CD2 4.2Å; F324-L372 HydrophobicContact CE1-CD1 3.86Å; F324-L372 HydrophobicContact CE1-CD2 3.9Å; F324-L372 HydrophobicContact CE1-CG 4.24Å; F324-L372 HydrophobicContact CZ-CD1 4.45Å; L331-L372 HydrophobicContact CB-CD2 4.4Å; L331-L372 HydrophobicContact CD2-CD2 4.02Å; L331-L372 HydrophobicContact CD2-CG 4.05Å; L331-L372 HydrophobicContact CG-CD2 3.98Å; F333-L372 HydrophobicContact CE1-CD1 4.48Å; F333-L372 HydrophobicContact CZ-CD1 4.27Å; L370-L372 HydrophobicContact CD2-CD1 3.46Å; L370-L372 VanDerWaalsContact CD2-CD1 3.46Å; L370-L372 HydrophobicContact CD2-CG 3.85Å; L370-L372 HydrophobicContact CG-CD1 4.18Å; L370-L372 HydrophobicContact CG-CG 4.01Å; L370-L372 PolarHBondContact O-N 3.42Å; L372-W377 HydrophobicContact CB-CZ2 4.33Å; L372-W377 HydrophobicContact CD1-CD2 4.38Å; L372-W377 HydrophobicContact CD1-CH2 4.26Å; L372-W377 HydrophobicContact CD1-CZ2 3.96Å
373S89Confident88.8Confident50 Ų5035.5 Ų35.535%0.3519%0.192SC..  trans-64.2149.7170.864.80000111.4A375 S376 W377S373-A375 PolarHBondContact O-N 3.06Å; S373-S376 WeakPolarHBondContact O-CB 3.39Å; S373-S376 PolarHBondContact O-N 3.1Å; S373-S376 PolarHBondContact OG-N 3.1Å; S373-S376 PolarHBondContact OG-OG 3.26Å; S373-W377 PolarHBondContact O-N 3.12Å; S373-W377 VanDerWaalsContact O-N 3.15Å
374A88.1Confident89.2Confident14 Ų1435.2 Ų35.212%0.11619%0.189CC..Hα-helixtrans-59.1-32.8174.500000112.3S376 W377 V378 D410 L416A374-S376 VanDerWaalsContact C-N 3.29Å; A374-S376 PolarHBondContact O-N 2.91Å; A374-W377 PolarHBondContact O-N 3.02Å; A374-V378 WeakPolarHBondContact O-CG2 3.33Å; A374-V378 PolarHBondContact O-N 3.19Å; A374-D410 HydrophobicContact CB-CB 4.35Å; A374-D410 WeakPolarHBondContact CB-OD2 3.33Å; A374-L416 HydrophobicContact CB-CD1 4.35Å; A374-L416 HydrophobicContact CB-CD2 4.3Å
375A90.8Very high89.5Confident35 Ų3531.1 Ų31.129%0.28917%0.174SC..Hα-helixtrans-54.8-43.3170.700000112.7S373 L379 L416 I419S373-A375 PolarHBondContact O-N 3.06Å; A375-L379 WeakPolarHBondContact O-CB 3.27Å; A375-L379 PolarHBondContact O-N 3.44Å; A375-L416 VanDerWaalsContact CA-CD2 3.45Å; A375-L416 HydrophobicContact CB-CD2 4.03Å; A375-I419 HydrophobicContact CB-CD1 3.45Å; A375-I419 VanDerWaalsContact CB-CD1 3.45Å
376S91.8Very high89.7Confident14 Ų1424.8 Ų24.810%0.09815%0.15CC..Hα-helixtrans-68.3-41.3178-570000111.4F333 S373 A374 L379 M380F333-S376 WeakPolarHBondContact CE2-O 3.26Å; S373-S376 WeakPolarHBondContact O-CB 3.39Å; S373-S376 PolarHBondContact O-N 3.1Å; S373-S376 PolarHBondContact OG-N 3.1Å; S373-S376 PolarHBondContact OG-OG 3.26Å; A374-S376 VanDerWaalsContact C-N 3.29Å; A374-S376 PolarHBondContact O-N 2.91Å; S376-L379 PolarHBondContact O-N 2.75Å; S376-M380 WeakPolarHBondContact O-CB 3.34Å; S376-M380 PolarHBondContact O-N 3.39Å
377W93Very high89.6Confident1 Ų124.5 Ų24.50%0.00415%0.154CC..Hα-helixtrans-61.8-46.3175.1-75115.5000112.8F262 V349 F350 F362 L370 L372 S373 A374 M380 L381 L406F262-W377 HydrophobicContact CE1-CH2 4.15Å; F262-W377 HydrophobicContact CE2-CH2 4.33Å; F262-W377 AromaticContact CZ-CH2 3.68Å; F262-W377 HydrophobicContact CZ-CH2 3.68Å; F262-W377 HydrophobicContact CZ-CZ2 4.5Å; V349-W377 HydrophobicContact CG1-CH2 4.36Å; V349-W377 HydrophobicContact CG1-CZ3 3.93Å; F350-W377 HydrophobicContact CE1-CE3 4.3Å; F350-W377 HydrophobicContact CE1-CZ3 4.37Å; F350-W377 HydrophobicContact CZ-CE3 4.08Å; F350-W377 HydrophobicContact CZ-CZ3 4.37Å; F362-W377 HydrophobicContact CE1-CE3 4.33Å; F362-W377 HydrophobicContact CE1-CZ3 4.47Å; F362-W377 HydrophobicContact CE2-CH2 4.43Å; F362-W377 HydrophobicContact CE2-CZ3 4.35Å; F362-W377 HydrophobicContact CZ-CD2 4.35Å; F362-W377 AromaticContact CZ-CE3 3.82Å; F362-W377 HydrophobicContact CZ-CE3 3.82Å; F362-W377 AromaticContact CZ-CH2 3.84Å; F362-W377 HydrophobicContact CZ-CH2 3.84Å; F362-W377 HydrophobicContact CZ-CZ2 4.32Å; F362-W377 AromaticContact CZ-CZ3 3.55Å; F362-W377 HydrophobicContact CZ-CZ3 3.55Å; L370-W377 HydrophobicContact CB-CZ2 4.09Å; L370-W377 HydrophobicContact CD2-CH2 3.94Å; L370-W377 HydrophobicContact CD2-CZ2 3.89Å; L370-W377 HydrophobicContact CG-CZ2 4.41Å; L372-W377 HydrophobicContact CB-CZ2 4.33Å; L372-W377 HydrophobicContact CD1-CD2 4.38Å; L372-W377 HydrophobicContact CD1-CH2 4.26Å; L372-W377 HydrophobicContact CD1-CZ2 3.96Å; S373-W377 PolarHBondContact O-N 3.12Å; S373-W377 VanDerWaalsContact O-N 3.15Å; A374-W377 PolarHBondContact O-N 3.02Å; W377-M380 HydrophobicContact CE3-CE 3.44Å; W377-M380 VanDerWaalsContact CE3-CE 3.44Å; W377-M380 HydrophobicContact CH2-CE 4.26Å; W377-M380 HydrophobicContact CZ3-CE 3.18Å; W377-M380 PolarHBondContact O-N 3.44Å; W377-L381 WeakPolarHBondContact O-CB 3.41Å; W377-L381 PolarHBondContact O-N 3.16Å; W377-L406 HydrophobicContact CB-CD1 4.08Å; W377-L406 HydrophobicContact CB-CD2 3.85Å; W377-L406 HydrophobicContact CG-CD2 4.24Å
378V92.8Very high89Confident0 Ų023.6 Ų23.60%015%0.15CC..Hα-helixtrans-63.3-43.8177.31710000110.7A374 M380 L381 C382 L403 L406 I407 L416 I419 I420A374-V378 WeakPolarHBondContact O-CG2 3.33Å; A374-V378 PolarHBondContact O-N 3.19Å; V378-M380 VanDerWaalsContact C-N 3.35Å; V378-M380 PolarHBondContact O-N 3.15Å; V378-L381 PolarHBondContact O-N 3.45Å; V378-C382 WeakPolarHBondContact O-CB 3.37Å; V378-C382 PolarHBondContact O-N 3.4Å; V378-C382 PolarHBondContact O-SG 3.03Å; V378-C382 VanDerWaalsContact O-SG 3.36Å; V378-L403 HydrophobicContact CG1-CD1 4.39Å; V378-L406 HydrophobicContact CG2-CB 4.19Å; V378-I407 HydrophobicContact CG2-CG1 4.42Å; V378-L416 HydrophobicContact CB-CD2 4.48Å; V378-L416 HydrophobicContact CG2-CD1 4.35Å; V378-L416 HydrophobicContact CG2-CD2 4.13Å; V378-I419 HydrophobicContact CG1-CG2 4.31Å; V378-I420 HydrophobicContact CG1-CD1 4.09Å; V378-I420 HydrophobicContact CG1-CG1 3.64Å
379L93.1Very high88.3Confident60 Ų6021.6 Ų21.631%0.31413%0.134SC..Hα-helixtrans-60.4-43.6177.1-179.264.2000112.1L342 A375 S376 S383 I419L342-L379 HydrophobicContact CD1-CD2 4.01Å; L342-L379 HydrophobicContact CD1-CG 4Å; A375-L379 WeakPolarHBondContact O-CB 3.27Å; A375-L379 PolarHBondContact O-N 3.44Å; S376-L379 PolarHBondContact O-N 2.75Å; L379-S383 WeakPolarHBondContact O-CB 3.42Å; L379-S383 PolarHBondContact O-N 3.37Å; L379-S383 PolarHBondContact O-OG 3.09Å; L379-I419 HydrophobicContact CB-CG2 4Å; L379-I419 HydrophobicContact CD1-CG2 4.02Å
380M93.5Very high87.6Confident2 Ų218.1 Ų18.11%0.0112%0.115CC..Hα-helixtrans-65.3-43177.4-171.9166.96700111.5F333 L342 A345 V349 F350 S376 W377 V378 S383 F384F333-M380 HydrophobicContact CZ-CB 4.33Å; F333-M380 HydrophobicContact CZ-SD 4.2Å; L342-M380 WeakPolarHBondContact O-CG 3.5Å; A345-M380 HydrophobicContact CB-SD 3.9Å; V349-M380 HydrophobicContact CB-CE 4.31Å; V349-M380 HydrophobicContact CG1-CE 4.38Å; V349-M380 HydrophobicContact CG2-CE 4.29Å; F350-M380 HydrophobicContact CE2-CE 4.13Å; F350-M380 HydrophobicContact CE2-CG 4.32Å; F350-M380 HydrophobicContact CZ-CE 3.88Å; S376-M380 WeakPolarHBondContact O-CB 3.34Å; S376-M380 PolarHBondContact O-N 3.39Å; W377-M380 HydrophobicContact CE3-CE 3.44Å; W377-M380 VanDerWaalsContact CE3-CE 3.44Å; W377-M380 HydrophobicContact CH2-CE 4.26Å; W377-M380 HydrophobicContact CZ3-CE 3.18Å; W377-M380 PolarHBondContact O-N 3.44Å; V378-M380 VanDerWaalsContact C-N 3.35Å; V378-M380 PolarHBondContact O-N 3.15Å; M380-S383 PolarHBondContact O-N 3.41Å; M380-F384 PolarHBondContact O-N 3.45Å
381L92Very high86.6Confident0 Ų018.7 Ų18.70%012%0.119CC..Hα-helixtrans-64.9-41.3177.5-176.260.1000112.3F350 W377 V378 F384 W385 F399 L402 L403 L406F350-L381 HydrophobicContact CD2-CD1 3.7Å; F350-L381 HydrophobicContact CE2-CB 3.83Å; F350-L381 HydrophobicContact CE2-CD1 3.69Å; F350-L381 HydrophobicContact CE2-CG 4.37Å; F350-L381 HydrophobicContact CG-CD1 4.22Å; F350-L381 HydrophobicContact CZ-CB 4.01Å; F350-L381 HydrophobicContact CZ-CD1 4.16Å; W377-L381 WeakPolarHBondContact O-CB 3.41Å; W377-L381 PolarHBondContact O-N 3.16Å; V378-L381 PolarHBondContact O-N 3.45Å; L381-F384 HydrophobicContact CD1-CD1 4.15Å; L381-F384 PolarHBondContact O-N 2.85Å; L381-W385 WeakPolarHBondContact O-CB 3.28Å; L381-W385 PolarHBondContact O-N 3.14Å; L381-F399 HydrophobicContact CD1-CD2 3.95Å; L381-F399 HydrophobicContact CD1-CE2 3.58Å; L381-F399 HydrophobicContact CD2-CE2 4.18Å; L381-F399 HydrophobicContact CG-CD2 4.38Å; L381-F399 HydrophobicContact CG-CE2 3.62Å; L381-F399 HydrophobicContact CG-CZ 4.31Å; L381-L402 HydrophobicContact CD1-CD2 3.73Å; L381-L402 HydrophobicContact CD2-CB 4.48Å; L381-L402 HydrophobicContact CD2-CD2 4.09Å; L381-L402 HydrophobicContact CD2-CG 4.12Å; L381-L403 HydrophobicContact CD2-CB 3.98Å; L381-L403 HydrophobicContact CD2-CD1 3.95Å; L381-L406 HydrophobicContact CB-CD1 4.44Å; L381-L406 HydrophobicContact CD2-CD1 3.72Å
382C92.5Very high85.9Confident0 Ų017.7 Ų17.70%011%0.109CC..Hα-helixtrans-63.5-40.9173.1-73.80000111.9V378 W385 L386V378-C382 WeakPolarHBondContact O-CB 3.37Å; V378-C382 PolarHBondContact O-N 3.4Å; V378-C382 PolarHBondContact O-SG 3.03Å; V378-C382 VanDerWaalsContact O-SG 3.36Å; C382-W385 PolarHBondContact O-N 2.73Å; C382-L386 HydrophobicContact CB-CD1 4.49Å; C382-L386 VanDerWaalsContact O-CB 3.27Å; C382-L386 WeakPolarHBondContact O-CB 3.47Å; C382-L386 WeakPolarHBondContact O-CG 3.4Å; C382-L386 PolarHBondContact O-N 3.1Å
383S90.7Very high85Confident8 Ų821 Ų216%0.05613%0.133CC..Hα-helixtrans-64.1-44.6178.1-58.70000111.3A343 L379 M380 W385 L386 V387A343-S383 WeakPolarHBondContact CB-O 3.44Å; L379-S383 WeakPolarHBondContact O-CB 3.42Å; L379-S383 PolarHBondContact O-N 3.37Å; L379-S383 PolarHBondContact O-OG 3.09Å; M380-S383 PolarHBondContact O-N 3.41Å; S383-W385 VanDerWaalsContact C-N 3.3Å; S383-W385 PolarHBondContact O-N 3.37Å; S383-L386 PolarHBondContact O-N 3.13Å; S383-V387 VanDerWaalsContact O-CB 3.23Å; S383-V387 WeakPolarHBondContact O-CB 3.46Å; S383-V387 WeakPolarHBondContact O-CG2 3.47Å; S383-V387 PolarHBondContact O-N 3.15Å
384F89.3Confident84.3Confident0 Ų018.7 Ų18.70%012%0.117CC..Hα-helixtrans-55.8-44.7171.7163.1-101.9000112.2N347 F350 L354 M380 L381 S388 R390 V394N347-F384 HydrophobicContact CB-CD2 4.07Å; N347-F384 HydrophobicContact CB-CE2 4.15Å; F350-F384 HydrophobicContact CD2-CG 4.48Å; L354-F384 HydrophobicContact CD1-CE1 3.62Å; L354-F384 HydrophobicContact CD1-CZ 3.71Å; M380-F384 PolarHBondContact O-N 3.45Å; L381-F384 HydrophobicContact CD1-CD1 4.15Å; L381-F384 PolarHBondContact O-N 2.85Å; F384-S388 PolarHBondContact O-OG 3.27Å; F384-S388 VanDerWaalsContact O-OG 3.09Å; F384-R390 HydrophobicContact CE2-CG 4.41Å; F384-R390 HydrophobicContact CZ-CG 4.3Å; F384-V394 HydrophobicContact CZ-CG2 4.45Å
385W87.3Confident83.6Confident7 Ų721.4 Ų21.43%0.02713%0.132CC..Hα-helixtrans-72.7-38.1-176.4-171.6-104.2000113.6L381 C382 S383 R390 V394 F399 E432 C435 L436L381-W385 WeakPolarHBondContact O-CB 3.28Å; L381-W385 PolarHBondContact O-N 3.14Å; C382-W385 PolarHBondContact O-N 2.73Å; S383-W385 VanDerWaalsContact C-N 3.3Å; S383-W385 PolarHBondContact O-N 3.37Å; W385-R390 VanDerWaalsContact CH2-NH1 3.28Å; W385-R390 VanDerWaalsContact CZ3-NH2 3.32Å; W385-R390 PolarHBondContact O-NH2 3.04Å; W385-V394 HydrophobicContact CZ3-CB 4.45Å; W385-V394 HydrophobicContact CZ3-CG1 4.05Å; W385-F399 HydrophobicContact CB-CD2 4.44Å; W385-F399 HydrophobicContact CB-CE1 4.44Å; W385-F399 HydrophobicContact CB-CE2 3.55Å; W385-F399 HydrophobicContact CB-CZ 3.55Å; W385-F399 AromaticContact CD1-CZ 3.94Å; W385-F399 AromaticContact CD2-CD1 3.81Å; W385-F399 HydrophobicContact CD2-CD1 3.81Å; W385-F399 AromaticContact CD2-CD2 3.84Å; W385-F399 HydrophobicContact CD2-CD2 3.84Å; W385-F399 AromaticContact CD2-CE1 3.68Å; W385-F399 HydrophobicContact CD2-CE1 3.68Å; W385-F399 AromaticContact CD2-CE2 3.7Å; W385-F399 HydrophobicContact CD2-CE2 3.7Å; W385-F399 AromaticContact CD2-CG 3.89Å; W385-F399 HydrophobicContact CD2-CG 3.89Å; W385-F399 AromaticContact CD2-CZ 3.62Å; W385-F399 HydrophobicContact CD2-CZ 3.62Å; W385-F399 AromaticContact CE2-CD1 3.97Å; W385-F399 AromaticContact CE2-CE1 3.92Å; W385-F399 HydrophobicContact CE3-CB 4.01Å; W385-F399 AromaticContact CE3-CD1 3.83Å; W385-F399 HydrophobicContact CE3-CD1 3.83Å; W385-F399 AromaticContact CE3-CD2 3.31Å; W385-F399 HydrophobicContact CE3-CD2 3.31Å; W385-F399 HydrophobicContact CE3-CE1 4.11Å; W385-F399 AromaticContact CE3-CE2 3.62Å; W385-F399 HydrophobicContact CE3-CE2 3.62Å; W385-F399 AromaticContact CE3-CG 3.42Å; W385-F399 HydrophobicContact CE3-CG 3.42Å; W385-F399 VanDerWaalsContact CE3-CG 3.42Å; W385-F399 HydrophobicContact CE3-CZ 4.01Å; W385-F399 HydrophobicContact CG-CD1 4.42Å; W385-F399 HydrophobicContact CG-CD2 4.32Å; W385-F399 AromaticContact CG-CE1 3.81Å; W385-F399 HydrophobicContact CG-CE1 3.81Å; W385-F399 AromaticContact CG-CE2 3.68Å; W385-F399 HydrophobicContact CG-CE2 3.68Å; W385-F399 AromaticContact CG-CZ 3.4Å; W385-F399 HydrophobicContact CG-CZ 3.4Å; W385-F399 HydrophobicContact CH2-CB 4.17Å; W385-F399 HydrophobicContact CH2-CD1 4.22Å; W385-F399 HydrophobicContact CH2-CG 4.15Å; W385-F399 HydrophobicContact CZ2-CD1 4.2Å; W385-F399 HydrophobicContact CZ3-CB 3.64Å; W385-F399 HydrophobicContact CZ3-CD1 4.03Å; W385-F399 AromaticContact CZ3-CD2 3.88Å; W385-F399 HydrophobicContact CZ3-CD2 3.88Å; W385-F399 AromaticContact CZ3-CG 3.56Å; W385-F399 HydrophobicContact CZ3-CG 3.56Å; W385-E432 HydrophobicContact CZ2-CG 4.39Å; W385-E432 PolarHBondContact NE1-O 3.2Å; W385-C435 HydrophobicContact CZ2-CB 4.46Å; W385-L436 HydrophobicContact CB-CD1 4.49Å; W385-L436 VanDerWaalsContact CD1-CD1 3.48Å; W385-L436 HydrophobicContact CG-CD1 4.25Å
386L88.4Confident82.7Confident8 Ų820.7 Ų20.74%0.04212%0.124CC..Hα-helixtrans-100-15.4-167.9-66.1173.3000114.8C382 S383 S423 I424 R429 E432 A433 L436C382-L386 HydrophobicContact CB-CD1 4.49Å; C382-L386 VanDerWaalsContact O-CB 3.27Å; C382-L386 WeakPolarHBondContact O-CB 3.47Å; C382-L386 WeakPolarHBondContact O-CG 3.4Å; C382-L386 PolarHBondContact O-N 3.1Å; S383-L386 PolarHBondContact O-N 3.13Å; L386-S423 WeakPolarHBondContact CD1-O 3.29Å; L386-I424 HydrophobicContact CD1-CG1 4.42Å; L386-R429 VanDerWaalsContact O-CD 3.26Å; L386-R429 WeakPolarHBondContact O-CD 3.37Å; L386-R429 WeakPolarHBondContact O-CG 3.16Å; L386-E432 HydrophobicContact CD2-CB 4.01Å; L386-A433 HydrophobicContact CD2-CB 4.07Å; L386-L436 HydrophobicContact CD1-CD1 3.82Å; L386-L436 HydrophobicContact CD2-CD1 3.93Å; L386-L436 HydrophobicContact CG-CD1 3.82Å
387V84.5Confident81.8Confident48 Ų4824.5 Ų24.529%0.29114%0.141SC..THydrogen-bonded Turntrans-112.9-59.3-170.5-173.40000111.8Q340 A343 S383 R429Q340-V387 VanDerWaalsContact OE1-CG1 3.26Å; A343-V387 HydrophobicContact CB-CB 3.94Å; A343-V387 HydrophobicContact CB-CG1 4.34Å; S383-V387 VanDerWaalsContact O-CB 3.23Å; S383-V387 WeakPolarHBondContact O-CB 3.46Å; S383-V387 WeakPolarHBondContact O-CG2 3.47Å; S383-V387 PolarHBondContact O-N 3.15Å; V387-R429 PolarHBondContact O-NE 2.88Å; V387-R429 VanDerWaalsContact O-NE 3.1Å; V387-R429 PolarHBondContact O-NH2 3.47Å
388S73.5Confident81.2Confident10 Ų1027.4 Ų27.47%0.0715%0.154CC..SBendtrans-78.8142.1-175.648.20000113.4F384 R429F384-S388 PolarHBondContact O-OG 3.27Å; F384-S388 VanDerWaalsContact O-OG 3.09Å; S388-R429 VanDerWaalsContact C-NH2 3.3Å
389V71.7Confident80.7Confident52 Ų5227.4 Ų27.432%0.31515%0.154SC..PPolyproline II helixtrans-72.4141.9162.1-170.20000107.2D307 I310D307-V389 HydrophobicContact CB-CG1 3.73Å; I310-V389 HydrophobicContact CD1-CB 3.34Å; I310-V389 HydrophobicContact CD1-CG1 3.32Å; I310-V389 HydrophobicContact CD1-CG2 4Å
390R73.4Confident80Confident9 Ų924.6 Ų24.63%0.03414%0.139CC..BIsolated β-bridgetrans-93.9133.3-173.2-58.7173.5-157.413112.8110.2F384 W385 Y392 E432F384-R390 HydrophobicContact CE2-CG 4.41Å; F384-R390 HydrophobicContact CZ-CG 4.3Å; W385-R390 VanDerWaalsContact CH2-NH1 3.28Å; W385-R390 VanDerWaalsContact CZ3-NH2 3.32Å; W385-R390 PolarHBondContact O-NH2 3.04Å; R390-Y392 WeakPolarHBondContact CB-O 3.19Å; R390-Y392 PolarHBondContact O-N 2.94Å; R390-E432 VanDerWaalsContact NH2-CG 3.34Å
391P67.6Low79.3Confident15 Ų1525.6 Ų25.610%0.09715%0.146CC..SBendtrans-82.3-0.2176.533.2-32.8000113Y306 I310 V312Y306-P391 WeakPolarHBondContact CE2-O 3.39Å; I310-P391 HydrophobicContact CG2-CB 4.36Å; V312-P391 HydrophobicContact CG2-CB 3.86Å; V312-P391 HydrophobicContact CG2-CG 4.17Å
392Y71.7Confident78.9Confident23 Ų2325.6 Ų25.69%0.0915%0.146CC..SBendtrans-140.8155.8174.352.7-91.9000110.9N347 E351 L354 T355 R390 V394N347-Y392 WeakPolarHBondContact OD1-CE1 3.41Å; N347-Y392 PolarHBondContact OD1-OH 2.78Å; E351-Y392 WeakPolarHBondContact CA-OH 3.11Å; E351-Y392 HydrophobicContact CB-CE1 3.74Å; E351-Y392 WeakPolarHBondContact CB-OH 3.35Å; E351-Y392 HydrophobicContact CG-CD1 4.24Å; E351-Y392 HydrophobicContact CG-CE1 3.68Å; L354-Y392 HydrophobicContact CB-CE2 3.93Å; L354-Y392 HydrophobicContact CD1-CE2 4.37Å; T355-Y392 HydrophobicContact CG2-CD1 4.32Å; T355-Y392 HydrophobicContact CG2-CD2 3.56Å; T355-Y392 HydrophobicContact CG2-CE2 3.98Å; T355-Y392 HydrophobicContact CG2-CG 3.78Å; R390-Y392 WeakPolarHBondContact CB-O 3.19Å; R390-Y392 PolarHBondContact O-N 2.94Å; Y392-V394 HydrophobicContact CD2-CG2 3.58Å; Y392-V394 HydrophobicContact CE2-CG2 3.34Å; Y392-V394 PolarHBondContact O-N 2.67Å
393S70.3Confident78.6Confident84 Ų8425.6 Ų25.659%0.58715%0.146SC*.  trans-72.3122.717859.80000110.8
394V74.4Confident78.2Confident3 Ų325.6 Ų25.62%0.01815%0.146CC..  trans-113.7125.2173.1-179.10000108.6L354 F384 W385 Y392 F399L354-V394 HydrophobicContact CB-CG1 4.46Å; L354-V394 HydrophobicContact CB-CG2 4.18Å; L354-V394 HydrophobicContact CD1-CG1 4.1Å; L354-V394 HydrophobicContact CD1-CG2 4.03Å; L354-V394 HydrophobicContact CD2-CG1 3.99Å; L354-V394 HydrophobicContact CG-CG1 4.41Å; F384-V394 HydrophobicContact CZ-CG2 4.45Å; W385-V394 HydrophobicContact CZ3-CB 4.45Å; W385-V394 HydrophobicContact CZ3-CG1 4.05Å; Y392-V394 HydrophobicContact CD2-CG2 3.58Å; Y392-V394 HydrophobicContact CE2-CG2 3.34Å; Y392-V394 PolarHBondContact O-N 2.67Å; V394-F399 HydrophobicContact CG1-CB 4.16Å
395T72.9Confident77.7Confident71 Ų7126 Ų2644%0.43615%0.15SC..  trans-75.1145.1173.165.40000110.2E397 Q398 F399T395-E397 PolarHBondContact O-N 3.12Å; T395-Q398 VanDerWaalsContact N-OE1 3.12Å; T395-Q398 PolarHBondContact O-N 2.78Å; T395-Q398 WeakPolarHBondContact OG1-CB 3.08Å; T395-Q398 WeakPolarHBondContact OG1-CG 3.46Å; T395-Q398 PolarHBondContact OG1-N 3.41Å; T395-Q398 PolarHBondContact OG1-OE1 2.8Å; T395-F399 PolarHBondContact O-N 3.43Å
396T71.9Confident77.6Confident19 Ų1925.7 Ų25.712%0.11715%0.149CC..Hα-helixtrans-53.9-39.5174.4-59.30000111.2L299 F399 L400 C435L299-T396 HydrophobicContact CB-CG2 4.38Å; L299-T396 HydrophobicContact CD1-CG2 3.78Å; T396-F399 PolarHBondContact O-N 3.13Å; T396-L400 HydrophobicContact CG2-CD1 3.77Å; T396-L400 HydrophobicContact CG2-CG 4.09Å; T396-L400 WeakPolarHBondContact O-CB 3.49Å; T396-L400 WeakPolarHBondContact O-CG 3.42Å; T396-L400 PolarHBondContact O-N 3.29Å; T396-C435 VanDerWaalsContact CG2-SG 3.51Å
397E74.3Confident77.3Confident95 Ų9525.5 Ų25.544%0.44415%0.148SC..Hα-helixtrans-59.7-51.2177.9-178.6175.1178.100113.1I292 T395 F399 L400 C401I292-E397 HydrophobicContact CG2-CG 3.98Å; T395-E397 PolarHBondContact O-N 3.12Å; E397-F399 VanDerWaalsContact C-N 3.32Å; E397-F399 PolarHBondContact O-N 2.88Å; E397-L400 PolarHBondContact O-N 2.82Å; E397-C401 WeakPolarHBondContact O-CB 3.25Å; E397-C401 PolarHBondContact O-N 3.2Å; E397-C401 PolarHBondContact O-SG 3.13Å; E397-C401 VanDerWaalsContact O-SG 3.33Å
398Q78.6Confident76.9Confident61 Ų6124.1 Ų24.129%0.28514%0.143SC..Hα-helixtrans-57.8-46.7179.3-73.9164.4-43.700111.4L354 T359 T395 C401 L402L354-Q398 HydrophobicContact CD2-CB 3.97Å; L354-Q398 PolarHBondContact O-NE2 3.15Å; L354-Q398 VanDerWaalsContact O-NE2 3.07Å; T359-Q398 HydrophobicContact CG2-CB 4.3Å; T395-Q398 VanDerWaalsContact N-OE1 3.12Å; T395-Q398 PolarHBondContact O-N 2.78Å; T395-Q398 WeakPolarHBondContact OG1-CB 3.08Å; T395-Q398 WeakPolarHBondContact OG1-CG 3.46Å; T395-Q398 PolarHBondContact OG1-N 3.41Å; T395-Q398 PolarHBondContact OG1-OE1 2.8Å; Q398-C401 PolarHBondContact O-N 3.42Å; Q398-L402 PolarHBondContact O-N 3.17Å; Q398-L402 VanDerWaalsContact O-N 3.13Å
399F82.4Confident76.8Confident0 Ų030.9 Ų30.90%017%0.167CC..Hα-helixtrans-61.3-47.3178.5172.5-101.9000112.2L381 W385 V394 T395 T396 E397 C401 L402 L403 L436L381-F399 HydrophobicContact CD1-CD2 3.95Å; L381-F399 HydrophobicContact CD1-CE2 3.58Å; L381-F399 HydrophobicContact CD2-CE2 4.18Å; L381-F399 HydrophobicContact CG-CD2 4.38Å; L381-F399 HydrophobicContact CG-CE2 3.62Å; L381-F399 HydrophobicContact CG-CZ 4.31Å; W385-F399 HydrophobicContact CB-CD2 4.44Å; W385-F399 HydrophobicContact CB-CE1 4.44Å; W385-F399 HydrophobicContact CB-CE2 3.55Å; W385-F399 HydrophobicContact CB-CZ 3.55Å; W385-F399 AromaticContact CD1-CZ 3.94Å; W385-F399 AromaticContact CD2-CD1 3.81Å; W385-F399 HydrophobicContact CD2-CD1 3.81Å; W385-F399 AromaticContact CD2-CD2 3.84Å; W385-F399 HydrophobicContact CD2-CD2 3.84Å; W385-F399 AromaticContact CD2-CE1 3.68Å; W385-F399 HydrophobicContact CD2-CE1 3.68Å; W385-F399 AromaticContact CD2-CE2 3.7Å; W385-F399 HydrophobicContact CD2-CE2 3.7Å; W385-F399 AromaticContact CD2-CG 3.89Å; W385-F399 HydrophobicContact CD2-CG 3.89Å; W385-F399 AromaticContact CD2-CZ 3.62Å; W385-F399 HydrophobicContact CD2-CZ 3.62Å; W385-F399 AromaticContact CE2-CD1 3.97Å; W385-F399 AromaticContact CE2-CE1 3.92Å; W385-F399 HydrophobicContact CE3-CB 4.01Å; W385-F399 AromaticContact CE3-CD1 3.83Å; W385-F399 HydrophobicContact CE3-CD1 3.83Å; W385-F399 AromaticContact CE3-CD2 3.31Å; W385-F399 HydrophobicContact CE3-CD2 3.31Å; W385-F399 HydrophobicContact CE3-CE1 4.11Å; W385-F399 AromaticContact CE3-CE2 3.62Å; W385-F399 HydrophobicContact CE3-CE2 3.62Å; W385-F399 AromaticContact CE3-CG 3.42Å; W385-F399 HydrophobicContact CE3-CG 3.42Å; W385-F399 VanDerWaalsContact CE3-CG 3.42Å; W385-F399 HydrophobicContact CE3-CZ 4.01Å; W385-F399 HydrophobicContact CG-CD1 4.42Å; W385-F399 HydrophobicContact CG-CD2 4.32Å; W385-F399 AromaticContact CG-CE1 3.81Å; W385-F399 HydrophobicContact CG-CE1 3.81Å; W385-F399 AromaticContact CG-CE2 3.68Å; W385-F399 HydrophobicContact CG-CE2 3.68Å; W385-F399 AromaticContact CG-CZ 3.4Å; W385-F399 HydrophobicContact CG-CZ 3.4Å; W385-F399 HydrophobicContact CH2-CB 4.17Å; W385-F399 HydrophobicContact CH2-CD1 4.22Å; W385-F399 HydrophobicContact CH2-CG 4.15Å; W385-F399 HydrophobicContact CZ2-CD1 4.2Å; W385-F399 HydrophobicContact CZ3-CB 3.64Å; W385-F399 HydrophobicContact CZ3-CD1 4.03Å; W385-F399 AromaticContact CZ3-CD2 3.88Å; W385-F399 HydrophobicContact CZ3-CD2 3.88Å; W385-F399 AromaticContact CZ3-CG 3.56Å; W385-F399 HydrophobicContact CZ3-CG 3.56Å; V394-F399 HydrophobicContact CG1-CB 4.16Å; T395-F399 PolarHBondContact O-N 3.43Å; T396-F399 PolarHBondContact O-N 3.13Å; E397-F399 VanDerWaalsContact C-N 3.32Å; E397-F399 PolarHBondContact O-N 2.88Å; F399-C401 PolarHBondContact O-N 3.39Å; F399-L402 WeakPolarHBondContact O-CB 3.34Å; F399-L402 PolarHBondContact O-N 3.36Å; F399-L403 HydrophobicContact CE1-CD2 4.27Å; F399-L403 HydrophobicContact CZ-CD2 4.46Å; F399-L403 PolarHBondContact O-N 2.93Å; F399-L436 HydrophobicContact CE1-CD2 3.51Å; F399-L436 HydrophobicContact CE1-CG 3.99Å; F399-L436 HydrophobicContact CZ-CD1 4.41Å; F399-L436 HydrophobicContact CZ-CD2 3.74Å; F399-L436 HydrophobicContact CZ-CG 4.22Å
400L79.2Confident77.1Confident2 Ų230.7 Ų30.71%0.0117%0.165CC..Hα-helixtrans-64.2-40.5179.1-68.5-176000111.5L295 T396 E397 L402 L403 V404 F439L295-L400 HydrophobicContact CD1-CD1 4.21Å; T396-L400 HydrophobicContact CG2-CD1 3.77Å; T396-L400 HydrophobicContact CG2-CG 4.09Å; T396-L400 WeakPolarHBondContact O-CB 3.49Å; T396-L400 WeakPolarHBondContact O-CG 3.42Å; T396-L400 PolarHBondContact O-N 3.29Å; E397-L400 PolarHBondContact O-N 2.82Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 2.85Å; L400-L403 PolarHBondContact O-N 2.74Å; L400-V404 WeakPolarHBondContact O-CB 3.37Å; L400-V404 VanDerWaalsContact O-CG2 3.22Å; L400-V404 WeakPolarHBondContact O-CG2 3.41Å; L400-V404 PolarHBondContact O-N 3.32Å; L400-F439 HydrophobicContact CB-CD2 4.27Å; L400-F439 HydrophobicContact CB-CE2 4.27Å; L400-F439 HydrophobicContact CD1-CB 4.44Å; L400-F439 HydrophobicContact CD1-CD2 3.97Å; L400-F439 HydrophobicContact CD2-CB 3.6Å; L400-F439 HydrophobicContact CD2-CD1 4.03Å; L400-F439 HydrophobicContact CD2-CD2 3.47Å; L400-F439 VanDerWaalsContact CD2-CD2 3.47Å; L400-F439 HydrophobicContact CD2-CE2 4.07Å; L400-F439 HydrophobicContact CD2-CG 3.41Å; L400-F439 VanDerWaalsContact CD2-CG 3.41Å; L400-F439 HydrophobicContact CG-CD2 4.09Å; L400-F439 HydrophobicContact CG-CG 4.46Å
401C78.8Confident77.1Confident23 Ų2335.2 Ų35.216%0.15520%0.204CC..Hα-helixtrans-58-42.2175.2-77.40000112.4E397 Q398 F399 G405E397-C401 WeakPolarHBondContact O-CB 3.25Å; E397-C401 PolarHBondContact O-N 3.2Å; E397-C401 PolarHBondContact O-SG 3.13Å; E397-C401 VanDerWaalsContact O-SG 3.33Å; Q398-C401 PolarHBondContact O-N 3.42Å; F399-C401 PolarHBondContact O-N 3.39Å; C401-G405 PolarHBondContact O-N 3.2Å
402L83.7Confident77.8Confident0 Ų036.3 Ų36.30%021%0.214CC..Hα-helixtrans-64.4-45.6175.9-171.467.3000111.4F350 T359 F362 L381 Q398 F399 L400 G405 L406F350-L402 HydrophobicContact CB-CD2 4.34Å; F350-L402 HydrophobicContact CD1-CD2 3.64Å; F350-L402 HydrophobicContact CE1-CD2 4.07Å; F350-L402 HydrophobicContact CG-CD2 4Å; T359-L402 HydrophobicContact CG2-CB 4.34Å; F362-L402 HydrophobicContact CB-CD1 3.86Å; F362-L402 HydrophobicContact CD1-CD1 3.56Å; F362-L402 HydrophobicContact CE1-CD1 4.46Å; F362-L402 HydrophobicContact CG-CD1 3.95Å; L381-L402 HydrophobicContact CD1-CD2 3.73Å; L381-L402 HydrophobicContact CD2-CB 4.48Å; L381-L402 HydrophobicContact CD2-CD2 4.09Å; L381-L402 HydrophobicContact CD2-CG 4.12Å; Q398-L402 PolarHBondContact O-N 3.17Å; Q398-L402 VanDerWaalsContact O-N 3.13Å; F399-L402 WeakPolarHBondContact O-CB 3.34Å; F399-L402 PolarHBondContact O-N 3.36Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 2.85Å; L402-G405 PolarHBondContact O-N 3.04Å; L402-L406 PolarHBondContact O-N 3.33Å
403L86.1Confident78.3Confident0 Ų037.6 Ų37.60%022%0.22CC..Hα-helixtrans-64.4-42.1178.8-174.862.5000112.3V378 L381 F399 L400 G405 L406 I407 I420 L436 F439V378-L403 HydrophobicContact CG1-CD1 4.39Å; L381-L403 HydrophobicContact CD2-CB 3.98Å; L381-L403 HydrophobicContact CD2-CD1 3.95Å; F399-L403 HydrophobicContact CE1-CD2 4.27Å; F399-L403 HydrophobicContact CZ-CD2 4.46Å; F399-L403 PolarHBondContact O-N 2.93Å; L400-L403 PolarHBondContact O-N 2.74Å; L403-G405 VanDerWaalsContact C-N 3.32Å; L403-G405 PolarHBondContact O-N 3.3Å; L403-L406 PolarHBondContact O-N 3.3Å; L403-I407 HydrophobicContact CD1-CD1 4.02Å; L403-I407 HydrophobicContact CD1-CG1 4.39Å; L403-I407 HydrophobicContact CG-CD1 3.89Å; L403-I407 WeakPolarHBondContact O-CG1 3.41Å; L403-I407 PolarHBondContact O-N 3.06Å; L403-I420 HydrophobicContact CD1-CD1 4.15Å; L403-I420 HydrophobicContact CD2-CD1 4.38Å; L403-L436 HydrophobicContact CD2-CD2 3.45Å; L403-L436 VanDerWaalsContact CD2-CD2 3.45Å; L403-F439 HydrophobicContact CB-CE1 4.41Å; L403-F439 HydrophobicContact CD2-CD1 3.58Å; L403-F439 HydrophobicContact CD2-CE1 3.37Å; L403-F439 HydrophobicContact CD2-CZ 4.23Å; L403-F439 HydrophobicContact CG-CD1 4.44Å; L403-F439 HydrophobicContact CG-CE1 3.74Å; L403-F439 HydrophobicContact CG-CZ 4.29Å
404V82.2Confident78.7Confident7 Ų738.2 Ų38.24%0.04221%0.214CC..Hα-helixtrans-58.9-44.9172.6172.90000110.5N284 L286 I287 L400 L406 I407 G408 F439N284-V404 HydrophobicContact CB-CG1 4.43Å; L286-V404 HydrophobicContact CB-CG1 3.99Å; L286-V404 HydrophobicContact CD1-CG1 4.25Å; I287-V404 HydrophobicContact CD1-CG2 3.47Å; I287-V404 VanDerWaalsContact CD1-CG2 3.47Å; I287-V404 HydrophobicContact CG1-CG2 4.22Å; L400-V404 WeakPolarHBondContact O-CB 3.37Å; L400-V404 VanDerWaalsContact O-CG2 3.22Å; L400-V404 WeakPolarHBondContact O-CG2 3.41Å; L400-V404 PolarHBondContact O-N 3.32Å; V404-L406 VanDerWaalsContact C-N 3.3Å; V404-L406 PolarHBondContact O-N 2.75Å; V404-I407 PolarHBondContact O-N 3.02Å; V404-G408 WeakPolarHBondContact O-CA 3.34Å; V404-G408 PolarHBondContact O-N 3.49Å; V404-F439 HydrophobicContact CB-CZ 4.46Å; V404-F439 HydrophobicContact CG2-CE2 3.39Å; V404-F439 HydrophobicContact CG2-CZ 3.36Å
405G79.8Confident79.3Confident9 Ų943 Ų439%0.09324%0.239CC..Hα-helixtrans-61-38.7179.300000112.8C401 L402 L403C401-G405 PolarHBondContact O-N 3.2Å; L402-G405 PolarHBondContact O-N 3.04Å; L403-G405 VanDerWaalsContact C-N 3.32Å; L403-G405 PolarHBondContact O-N 3.3Å
406L84.2Confident80Confident0 Ų039.8 Ų39.80%022%0.219CC..Hα-helixtrans-70.4-48.2177.1-73.2176.5000112.8F362 Q367 W377 V378 L381 L402 L403 V404 G408F362-L406 HydrophobicContact CE1-CD2 4.15Å; Q367-L406 HydrophobicContact CG-CD2 4.35Å; W377-L406 HydrophobicContact CB-CD1 4.08Å; W377-L406 HydrophobicContact CB-CD2 3.85Å; W377-L406 HydrophobicContact CG-CD2 4.24Å; V378-L406 HydrophobicContact CG2-CB 4.19Å; L381-L406 HydrophobicContact CB-CD1 4.44Å; L381-L406 HydrophobicContact CD2-CD1 3.72Å; L402-L406 PolarHBondContact O-N 3.33Å; L403-L406 PolarHBondContact O-N 3.3Å; V404-L406 VanDerWaalsContact C-N 3.3Å; V404-L406 PolarHBondContact O-N 2.75Å; L406-G408 VanDerWaalsContact C-N 3.3Å; L406-G408 PolarHBondContact O-N 2.8Å
407I82.6Confident80.7Confident5 Ų539 Ų393%0.02621%0.214CC..Hα-helixtrans-68.7-35.7-179.9-63.3168.4000110.7V378 L403 V404 R409 D410 K413 L416 I420 F439V378-I407 HydrophobicContact CG2-CG1 4.42Å; L403-I407 HydrophobicContact CD1-CD1 4.02Å; L403-I407 HydrophobicContact CD1-CG1 4.39Å; L403-I407 HydrophobicContact CG-CD1 3.89Å; L403-I407 WeakPolarHBondContact O-CG1 3.41Å; L403-I407 PolarHBondContact O-N 3.06Å; V404-I407 PolarHBondContact O-N 3.02Å; I407-R409 VanDerWaalsContact C-N 3.32Å; I407-R409 PolarHBondContact O-N 3.19Å; I407-D410 PolarHBondContact O-N 2.77Å; I407-K413 HydrophobicContact CG2-CB 4.25Å; I407-K413 HydrophobicContact CG2-CG 4.19Å; I407-L416 HydrophobicContact CB-CD1 4.37Å; I407-L416 HydrophobicContact CG1-CB 4.49Å; I407-L416 HydrophobicContact CG1-CD1 4.27Å; I407-L416 HydrophobicContact CG2-CD1 4.43Å; I407-I420 HydrophobicContact CD1-CD1 3.78Å; I407-F439 HydrophobicContact CD1-CE1 4.12Å
408G75.9Confident81.4Confident18 Ų1837.3 Ų37.319%0.18621%0.208CC..Hα-helixtrans-65.8-32.2-166.200000116.5V404 L406V404-G408 WeakPolarHBondContact O-CA 3.34Å; V404-G408 PolarHBondContact O-N 3.49Å; L406-G408 VanDerWaalsContact C-N 3.3Å; L406-G408 PolarHBondContact O-N 2.8Å
409R71Confident81.9Confident153 Ų15336.1 Ų36.158%0.57720%0.203SC*.THydrogen-bonded Turntrans-86.8-14.8-177.9-65.8-178.7172.4-146.9-9.3113.1C363 R364 I407C363-R409 VanDerWaalsContact O-CZ 3.28Å; C363-R409 PolarHBondContact O-NH1 2.79Å; R364-R409 VanDerWaalsContact CG-NH2 3.31Å; I407-R409 VanDerWaalsContact C-N 3.32Å; I407-R409 PolarHBondContact O-N 3.19Å
410D78.4Confident82.4Confident48 Ų4836.1 Ų36.126%0.25720%0.203SC..  trans-84142.5-179.7-155.2-35.1000111A374 I407 A412 K413 L416A374-D410 HydrophobicContact CB-CB 4.35Å; A374-D410 WeakPolarHBondContact CB-OD2 3.33Å; I407-D410 PolarHBondContact O-N 2.77Å; D410-A412 PolarHBondContact OD1-N 2.81Å; D410-K413 VanDerWaalsContact O-CE 3.22Å; D410-K413 WeakPolarHBondContact O-CE 3.28Å; D410-K413 VanDerWaalsContact O-CG 3.24Å; D410-K413 WeakPolarHBondContact O-CG 3.26Å; D410-L416 HydrophobicContact CB-CD1 3.69Å
411A73.7Confident83Confident104 Ų10437.1 Ų37.186%0.8621%0.207SC*.SBendtrans-74.1-34.7170.100000111.1K413A411-K413 VanDerWaalsContact C-N 3.27Å; A411-K413 PolarHBondContact O-N 3.41Å; A411-K413 VanDerWaalsContact O-N 3.12Å
412A81.9Confident83.5Confident38 Ų3842.8 Ų42.831%0.31423%0.229SC..  trans-88.149.6-176.800000112.6D410 E414 D415 L416D410-A412 PolarHBondContact OD1-N 2.81Å; A412-E414 PolarHBondContact O-N 2.87Å; A412-E414 VanDerWaalsContact O-N 3.15Å; A412-D415 HydrophobicContact CB-CB 4.39Å; A412-D415 PolarHBondContact O-N 3.08Å; A412-D415 VanDerWaalsContact O-N 3.13Å; A412-L416 PolarHBondContact O-N 3.48Å
413K81.9Confident83.9Confident50 Ų5043.5 Ų43.522%0.21723%0.234CC..Hα-helixtrans-56.5-34-176.7-60.8-177.6-1791710113.1I407 D410 A411 L416 L417 L447I407-K413 HydrophobicContact CG2-CB 4.25Å; I407-K413 HydrophobicContact CG2-CG 4.19Å; D410-K413 VanDerWaalsContact O-CE 3.22Å; D410-K413 WeakPolarHBondContact O-CE 3.28Å; D410-K413 VanDerWaalsContact O-CG 3.24Å; D410-K413 WeakPolarHBondContact O-CG 3.26Å; A411-K413 VanDerWaalsContact C-N 3.27Å; A411-K413 PolarHBondContact O-N 3.41Å; A411-K413 VanDerWaalsContact O-N 3.12Å; K413-L416 PolarHBondContact O-N 3.21Å; K413-L417 WeakPolarHBondContact O-CG 3.29Å; K413-L417 PolarHBondContact O-N 2.85Å; K413-L417 VanDerWaalsContact O-N 3.15Å; K413-L447 HydrophobicContact CB-CD1 4.22Å; K413-L447 HydrophobicContact CD-CD1 4.4Å; K413-L447 HydrophobicContact CD-CD2 3.77Å
414E79.4Confident84.2Confident97 Ų9743.5 Ų43.545%0.45323%0.234SC..Hα-helixtrans-64.6-43179.1-63.9-167.5177.600112.5A412 L416 L417 D418 R464A412-E414 PolarHBondContact O-N 2.87Å; A412-E414 VanDerWaalsContact O-N 3.15Å; E414-L416 VanDerWaalsContact C-N 3.26Å; E414-L416 PolarHBondContact O-N 3.36Å; E414-L417 PolarHBondContact O-N 2.83Å; E414-L417 VanDerWaalsContact O-N 3.16Å; E414-D418 PolarHBondContact O-N 3.43Å; E414-R464 IonicContact OE1-NH2 3.85Å; E414-R464 IonicContact OE2-CZ 2.82Å; E414-R464 IonicContact OE2-NH1 2.67Å; E414-R464 PolarHBondContact OE2-NH1 3.44Å; E414-R464 IonicContact OE2-NH2 2.72Å; E414-R464 PolarHBondContact OE2-NH2 2.95Å
415D85.7Confident84.5Confident103 Ų10344.9 Ų44.955%0.55124%0.241SC*.Hα-helixtrans-65-34.7179.6-65-26.8000111.1A412 D418 I419A412-D415 HydrophobicContact CB-CB 4.39Å; A412-D415 PolarHBondContact O-N 3.08Å; A412-D415 VanDerWaalsContact O-N 3.13Å; D415-D418 PolarHBondContact O-N 3Å; D415-I419 WeakPolarHBondContact O-CG1 3.5Å; D415-I419 PolarHBondContact O-N 3.01Å
416L88.8Confident84.7Confident3 Ų348.1 Ų48.12%0.01626%0.263CS..Hα-helixtrans-66.5-40.5174.6-59.5-178.1000111.9A374 A375 V378 I407 D410 A412 K413 E414 D418 I419 I420A374-L416 HydrophobicContact CB-CD1 4.35Å; A374-L416 HydrophobicContact CB-CD2 4.3Å; A375-L416 VanDerWaalsContact CA-CD2 3.45Å; A375-L416 HydrophobicContact CB-CD2 4.03Å; V378-L416 HydrophobicContact CB-CD2 4.48Å; V378-L416 HydrophobicContact CG2-CD1 4.35Å; V378-L416 HydrophobicContact CG2-CD2 4.13Å; I407-L416 HydrophobicContact CB-CD1 4.37Å; I407-L416 HydrophobicContact CG1-CB 4.49Å; I407-L416 HydrophobicContact CG1-CD1 4.27Å; I407-L416 HydrophobicContact CG2-CD1 4.43Å; D410-L416 HydrophobicContact CB-CD1 3.69Å; A412-L416 PolarHBondContact O-N 3.48Å; K413-L416 PolarHBondContact O-N 3.21Å; E414-L416 VanDerWaalsContact C-N 3.26Å; E414-L416 PolarHBondContact O-N 3.36Å; L416-D418 VanDerWaalsContact C-N 3.29Å; L416-D418 PolarHBondContact O-N 3.1Å; L416-I419 HydrophobicContact CD2-CD1 4.38Å; L416-I419 WeakPolarHBondContact O-CB 3.27Å; L416-I419 PolarHBondContact O-N 3.13Å; L416-I420 WeakPolarHBondContact O-CG1 3.36Å; L416-I420 PolarHBondContact O-N 2.8Å; L416-I420 VanDerWaalsContact O-N 3.12Å
417L86.7Confident84.9Confident2 Ų248.6 Ų48.61%0.0127%0.266CS..Hα-helixtrans-64.8-35175.7-68.3175.7000111.8K413 E414 I419 I420 Y421 A440 V443 F444 L447 W468K413-L417 WeakPolarHBondContact O-CG 3.29Å; K413-L417 PolarHBondContact O-N 2.85Å; K413-L417 VanDerWaalsContact O-N 3.15Å; E414-L417 PolarHBondContact O-N 2.83Å; E414-L417 VanDerWaalsContact O-N 3.16Å; L417-I419 VanDerWaalsContact C-N 3.32Å; L417-I419 PolarHBondContact O-N 3.44Å; L417-I420 HydrophobicContact CD2-CD1 4.21Å; L417-I420 PolarHBondContact O-N 3.43Å; L417-Y421 WeakPolarHBondContact O-CB 3.37Å; L417-Y421 PolarHBondContact O-N 3.31Å; L417-A440 HydrophobicContact CD2-CB 4.18Å; L417-V443 HydrophobicContact CD2-CG1 4.48Å; L417-F444 HydrophobicContact CD1-CB 4.32Å; L417-F444 HydrophobicContact CD1-CD2 3.61Å; L417-F444 HydrophobicContact CD1-CE2 4.47Å; L417-F444 HydrophobicContact CD1-CG 4.45Å; L417-L447 HydrophobicContact CD1-CD1 4.15Å; L417-W468 HydrophobicContact CB-CZ2 4.43Å
418D88Confident84.9Confident60 Ų6054 Ų5432%0.32129%0.287SS..Hα-helixtrans-65.2-34.7174.5-81.5-3.4000112.5E414 D415 L416 K422E414-D418 PolarHBondContact O-N 3.43Å; D415-D418 PolarHBondContact O-N 3Å; L416-D418 VanDerWaalsContact C-N 3.29Å; L416-D418 PolarHBondContact O-N 3.1Å; D418-K422 WeakPolarHBondContact O-CB 3.35Å; D418-K422 VanDerWaalsContact O-CG 3.31Å; D418-K422 WeakPolarHBondContact O-CG 3.25Å; D418-K422 PolarHBondContact O-N 3.4Å
419I90.4Very high85.4Confident36 Ų3655.5 Ų55.519%0.18529%0.287CS..Hα-helixtrans-65.1-44.7173.2-66166.9000110.4A375 V378 L379 D415 L416 L417 Y421 K422 S423A375-I419 HydrophobicContact CB-CD1 3.45Å; A375-I419 VanDerWaalsContact CB-CD1 3.45Å; V378-I419 HydrophobicContact CG1-CG2 4.31Å; L379-I419 HydrophobicContact CB-CG2 4Å; L379-I419 HydrophobicContact CD1-CG2 4.02Å; D415-I419 WeakPolarHBondContact O-CG1 3.5Å; D415-I419 PolarHBondContact O-N 3.01Å; L416-I419 HydrophobicContact CD2-CD1 4.38Å; L416-I419 WeakPolarHBondContact O-CB 3.27Å; L416-I419 PolarHBondContact O-N 3.13Å; L417-I419 VanDerWaalsContact C-N 3.32Å; L417-I419 PolarHBondContact O-N 3.44Å; I419-Y421 VanDerWaalsContact C-N 3.34Å; I419-Y421 PolarHBondContact O-N 3Å; I419-K422 PolarHBondContact O-N 3.03Å; I419-S423 WeakPolarHBondContact O-CB 3.25Å; I419-S423 PolarHBondContact O-N 3.43Å; I419-S423 PolarHBondContact O-OG 3.34Å
420I92.5Very high86.1Confident0 Ų048.4 Ų48.40%026%0.26CS..Hα-helixtrans-61.2-46.6177.2-63.1169.4000109.9V378 L403 I407 L416 L417 K422 S423 I424 L436 A440 W468V378-I420 HydrophobicContact CG1-CD1 4.09Å; V378-I420 HydrophobicContact CG1-CG1 3.64Å; L403-I420 HydrophobicContact CD1-CD1 4.15Å; L403-I420 HydrophobicContact CD2-CD1 4.38Å; I407-I420 HydrophobicContact CD1-CD1 3.78Å; L416-I420 WeakPolarHBondContact O-CG1 3.36Å; L416-I420 PolarHBondContact O-N 2.8Å; L416-I420 VanDerWaalsContact O-N 3.12Å; L417-I420 HydrophobicContact CD2-CD1 4.21Å; L417-I420 PolarHBondContact O-N 3.43Å; I420-K422 PolarHBondContact O-N 3.46Å; I420-S423 WeakPolarHBondContact O-CB 3.38Å; I420-S423 PolarHBondContact O-N 3.46Å; I420-S423 VanDerWaalsContact O-N 3.16Å; I420-I424 HydrophobicContact CG2-CD1 3.8Å; I420-I424 HydrophobicContact CG2-CG1 4.41Å; I420-I424 WeakPolarHBondContact O-CG1 3.46Å; I420-I424 PolarHBondContact O-N 2.91Å; I420-L436 HydrophobicContact CG2-CD2 4.38Å; I420-A440 HydrophobicContact CG2-CB 4.42Å; I420-W468 HydrophobicContact CB-CH2 4.49Å; I420-W468 HydrophobicContact CG2-CH2 4.11Å
421Y91.4Very high86.3Confident24 Ų2446.6 Ų46.69%0.09425%0.251CS..Hα-helixtrans-57.9-47.6179-172.7-92.9000112.2L417 I419 S423 I424 L425 W468 M471 N681L417-Y421 WeakPolarHBondContact O-CB 3.37Å; L417-Y421 PolarHBondContact O-N 3.31Å; I419-Y421 VanDerWaalsContact C-N 3.34Å; I419-Y421 PolarHBondContact O-N 3Å; Y421-S423 VanDerWaalsContact C-N 3.32Å; Y421-S423 PolarHBondContact O-N 3.37Å; Y421-I424 PolarHBondContact O-N 3.45Å; Y421-L425 HydrophobicContact CD1-CD1 3.82Å; Y421-L425 HydrophobicContact CD1-CG 4.37Å; Y421-L425 HydrophobicContact CE1-CD1 3.45Å; Y421-L425 VanDerWaalsContact CE1-CD1 3.45Å; Y421-L425 HydrophobicContact CE1-CG 4.1Å; Y421-L425 PolarHBondContact O-N 3.43Å; Y421-L425 VanDerWaalsContact O-N 3.09Å; Y421-W468 HydrophobicContact CD2-CD2 4.16Å; Y421-W468 AromaticContact CD2-CE2 3.96Å; Y421-W468 HydrophobicContact CD2-CE3 4.15Å; Y421-W468 AromaticContact CD2-CH2 3.79Å; Y421-W468 HydrophobicContact CD2-CH2 3.79Å; Y421-W468 AromaticContact CD2-CZ2 3.8Å; Y421-W468 HydrophobicContact CD2-CZ2 3.8Å; Y421-W468 AromaticContact CD2-CZ3 3.96Å; Y421-W468 HydrophobicContact CD2-CZ3 3.96Å; Y421-W468 HydrophobicContact CG-CH2 4.25Å; Y421-W468 HydrophobicContact CG-CZ2 4.23Å; Y421-M471 HydrophobicContact CD2-CE 4.07Å; Y421-M471 HydrophobicContact CE1-CE 4.34Å; Y421-M471 HydrophobicContact CE2-CE 3.48Å; Y421-M471 VanDerWaalsContact CE2-CE 3.48Å; Y421-N681 VanDerWaalsContact CE1-OD1 3.25Å; Y421-N681 WeakPolarHBondContact CE1-OD1 3.46Å; Y421-N681 PolarHBondContact OH-ND2 3.22Å; Y421-N681 PolarHBondContact OH-OD1 2.86Å
422K89.9Confident86.9Confident142 Ų14242 Ų4262%0.61721%0.212SC*.Hα-helixtrans-64.2-36.7176.9-72.9170.7-175.1166.50112.4D418 I419 I420 L425 S426D418-K422 WeakPolarHBondContact O-CB 3.35Å; D418-K422 VanDerWaalsContact O-CG 3.31Å; D418-K422 WeakPolarHBondContact O-CG 3.25Å; D418-K422 PolarHBondContact O-N 3.4Å; I419-K422 PolarHBondContact O-N 3.03Å; I420-K422 PolarHBondContact O-N 3.46Å; K422-L425 PolarHBondContact O-N 3.09Å; K422-S426 PolarHBondContact O-N 3.38Å; K422-S426 PolarHBondContact O-OG 2.96Å
423S91.4Very high87.2Confident14 Ų1440.2 Ų40.210%0.09820%0.197CC..Hα-helixtrans-68-38.7177.7-55.80000111.7L386 I419 I420 Y421 S426 S427L386-S423 WeakPolarHBondContact CD1-O 3.29Å; I419-S423 WeakPolarHBondContact O-CB 3.25Å; I419-S423 PolarHBondContact O-N 3.43Å; I419-S423 PolarHBondContact O-OG 3.34Å; I420-S423 WeakPolarHBondContact O-CB 3.38Å; I420-S423 PolarHBondContact O-N 3.46Å; I420-S423 VanDerWaalsContact O-N 3.16Å; Y421-S423 VanDerWaalsContact C-N 3.32Å; Y421-S423 PolarHBondContact O-N 3.37Å; S423-S426 PolarHBondContact O-N 2.95Å; S423-S426 PolarHBondContact O-OG 2.86Å; S423-S426 VanDerWaalsContact O-OG 3.09Å; S423-S427 PolarHBondContact O-N 3.43Å
424I91.9Very high87.5Confident0 Ų038.3 Ų38.30%019%0.189CC..Hα-helixtrans-63.3-45.1174.6-71.9165.5000110.9L386 I420 Y421 S426 S427 A433 L436 W468 M471 L475 L506L386-I424 HydrophobicContact CD1-CG1 4.42Å; I420-I424 HydrophobicContact CG2-CD1 3.8Å; I420-I424 HydrophobicContact CG2-CG1 4.41Å; I420-I424 WeakPolarHBondContact O-CG1 3.46Å; I420-I424 PolarHBondContact O-N 2.91Å; Y421-I424 PolarHBondContact O-N 3.45Å; I424-S426 PolarHBondContact O-N 3.16Å; I424-S427 VanDerWaalsContact O-CB 3.32Å; I424-S427 WeakPolarHBondContact O-CB 3.32Å; I424-S427 PolarHBondContact O-N 3.41Å; I424-A433 HydrophobicContact CG2-CB 4.18Å; I424-L436 HydrophobicContact CD1-CB 3.89Å; I424-L436 HydrophobicContact CG1-CB 4.12Å; I424-W468 HydrophobicContact CD1-CH2 4.03Å; I424-W468 HydrophobicContact CD1-CZ3 3.71Å; I424-M471 HydrophobicContact CG2-CE 4.21Å; I424-M471 HydrophobicContact CG2-CG 4.28Å; I424-M471 HydrophobicContact CG2-SD 4.03Å; I424-L475 HydrophobicContact CG2-CD1 3.93Å; I424-L506 HydrophobicContact CG2-CD1 3.72Å
425L88.3Confident87.7Confident36 Ų3633.8 Ų33.819%0.18817%0.168CC..Hα-helixtrans-59.3-29.8-179.1-80.9176.5000114.1Y421 K422 M471 L510 F677Y421-L425 HydrophobicContact CD1-CD1 3.82Å; Y421-L425 HydrophobicContact CD1-CG 4.37Å; Y421-L425 HydrophobicContact CE1-CD1 3.45Å; Y421-L425 VanDerWaalsContact CE1-CD1 3.45Å; Y421-L425 HydrophobicContact CE1-CG 4.1Å; Y421-L425 PolarHBondContact O-N 3.43Å; Y421-L425 VanDerWaalsContact O-N 3.09Å; K422-L425 PolarHBondContact O-N 3.09Å; L425-M471 HydrophobicContact CD2-CE 3.53Å; L425-M471 HydrophobicContact CG-CE 3.82Å; L425-L510 HydrophobicContact CD2-CD1 3.92Å; L425-F677 HydrophobicContact CD2-CZ 4.29Å
426S85.5Confident87.8Confident78 Ų7828.9 Ų28.955%0.54514%0.142SC..THydrogen-bonded Turntrans-93.1-0.9178.458.30000113.8K422 S423 I424K422-S426 PolarHBondContact O-N 3.38Å; K422-S426 PolarHBondContact O-OG 2.96Å; S423-S426 PolarHBondContact O-N 2.95Å; S423-S426 PolarHBondContact O-OG 2.86Å; S423-S426 VanDerWaalsContact O-OG 3.09Å; I424-S426 PolarHBondContact O-N 3.16Å
427S86.9Confident87.8Confident10 Ų1028.7 Ų28.77%0.0714%0.141CC..  trans-79.4144.6-178.4-176.10000112.7S423 I424 R429S423-S427 PolarHBondContact O-N 3.43Å; I424-S427 VanDerWaalsContact O-CB 3.32Å; I424-S427 WeakPolarHBondContact O-CB 3.32Å; I424-S427 PolarHBondContact O-N 3.41Å; S427-R429 PolarHBondContact OG-N 3.49Å; S427-R429 PolarHBondContact OG-O 3.02Å
428Y84.3Confident87.8Confident118 Ų11829.4 Ų29.446%0.46314%0.144SC..  trans-103.1-8.8168.1-64-92.4000112.1I430 D503Y428-I430 PolarHBondContact O-N 3.09Å; Y428-D503 HydrophobicContact CD1-CB 4.4Å; Y428-D503 HydrophobicContact CE1-CB 4.42Å
429R85Confident87.6Confident49 Ų4926.5 Ų26.519%0.18513%0.129CC..  trans-89.888.3177.8-69.6-167.7-174.2-107.6-9.4110.4L386 V387 S388 S427 E432 A433L386-R429 VanDerWaalsContact O-CD 3.26Å; L386-R429 WeakPolarHBondContact O-CD 3.37Å; L386-R429 WeakPolarHBondContact O-CG 3.16Å; V387-R429 PolarHBondContact O-NE 2.88Å; V387-R429 VanDerWaalsContact O-NE 3.1Å; V387-R429 PolarHBondContact O-NH2 3.47Å; S388-R429 VanDerWaalsContact C-NH2 3.3Å; S427-R429 PolarHBondContact OG-N 3.49Å; S427-R429 PolarHBondContact OG-O 3.02Å; R429-E432 HydrophobicContact CB-CB 4.1Å; R429-E432 HydrophobicContact CB-CG 4.43Å; R429-E432 WeakPolarHBondContact CB-OE2 3.43Å; R429-E432 IonicContact NH1-OE1 3.12Å; R429-A433 WeakPolarHBondContact O-CB 3.31Å; R429-A433 PolarHBondContact O-N 2.9Å
430I87.1Confident87.3Confident5 Ų524.8 Ų24.83%0.02612%0.12CC..Hα-helixtrans-58.6-47.4-175-61.3158.4000112.8Y428 A433 L434 L475 L478 Q482 M504Y428-I430 PolarHBondContact O-N 3.09Å; I430-A433 PolarHBondContact O-N 3.19Å; I430-L434 WeakPolarHBondContact O-CB 3.34Å; I430-L434 PolarHBondContact O-N 3.22Å; I430-L475 HydrophobicContact CG2-CD2 4.35Å; I430-L478 HydrophobicContact CD1-CB 3.97Å; I430-L478 HydrophobicContact CG1-CB 4.18Å; I430-L478 HydrophobicContact CG2-CB 3.71Å; I430-Q482 HydrophobicContact CD1-CB 4.14Å; I430-M504 HydrophobicContact CD1-CB 3.77Å
431P82.7Confident87Confident9 Ų925.6 Ų25.66%0.05813%0.125CC..Hα-helixtrans-66-42.9-176.2-12.524.7000112.5I302 L434 C435 Y479I302-P431 HydrophobicContact CB-CB 4.41Å; I302-P431 HydrophobicContact CG2-CB 3.23Å; P431-L434 WeakPolarHBondContact O-CB 3.5Å; P431-L434 PolarHBondContact O-N 3.28Å; P431-C435 PolarHBondContact O-N 2.89Å; P431-Y479 HydrophobicContact CB-CD2 4.04Å; P431-Y479 HydrophobicContact CB-CE2 3.87Å; P431-Y479 HydrophobicContact CG-CD2 3.91Å; P431-Y479 HydrophobicContact CG-CE2 3.84Å
432E84.8Confident86.4Confident8 Ų825.9 Ų25.94%0.03713%0.129CC..Hα-helixtrans-64.7-40.5176.2-70.190.4150.400112.2W385 L386 R390 R429 C435 L436W385-E432 HydrophobicContact CZ2-CG 4.39Å; W385-E432 PolarHBondContact NE1-O 3.2Å; L386-E432 HydrophobicContact CD2-CB 4.01Å; R390-E432 VanDerWaalsContact NH2-CG 3.34Å; R429-E432 HydrophobicContact CB-CB 4.1Å; R429-E432 HydrophobicContact CB-CG 4.43Å; R429-E432 WeakPolarHBondContact CB-OE2 3.43Å; R429-E432 IonicContact NH1-OE1 3.12Å; E432-C435 WeakPolarHBondContact O-CB 3.49Å; E432-C435 PolarHBondContact O-N 2.94Å; E432-L436 PolarHBondContact O-N 2.98Å; E432-L436 VanDerWaalsContact O-N 3.09Å
433A89.5Confident85.9Confident1 Ų119.6 Ų19.61%0.00810%0.103CC..Hα-helixtrans-63.5-41.7173.700000111.8L386 I424 R429 I430 L436 S437 L475L386-A433 HydrophobicContact CD2-CB 4.07Å; I424-A433 HydrophobicContact CG2-CB 4.18Å; R429-A433 WeakPolarHBondContact O-CB 3.31Å; R429-A433 PolarHBondContact O-N 2.9Å; I430-A433 PolarHBondContact O-N 3.19Å; A433-L436 PolarHBondContact O-N 3.47Å; A433-S437 WeakPolarHBondContact O-CB 3.27Å; A433-S437 PolarHBondContact O-N 3.49Å; A433-L475 HydrophobicContact CB-CD1 4.21Å; A433-L475 HydrophobicContact CB-CD2 3.87Å
434L87.6Confident85.3Confident9 Ų919.2 Ų19.25%0.04710%0.1CC..Hα-helixtrans-62.2-46.1176.3178.157000110.9I302 I430 P431 L436 S437 E438 L475 R476 Y479I302-L434 HydrophobicContact CD1-CB 4.35Å; I302-L434 HydrophobicContact CD1-CD2 3.94Å; I302-L434 HydrophobicContact CD1-CG 4.19Å; I430-L434 WeakPolarHBondContact O-CB 3.34Å; I430-L434 PolarHBondContact O-N 3.22Å; P431-L434 WeakPolarHBondContact O-CB 3.5Å; P431-L434 PolarHBondContact O-N 3.28Å; L434-L436 PolarHBondContact O-N 2.99Å; L434-S437 PolarHBondContact O-N 2.9Å; L434-E438 HydrophobicContact CD1-CG 3.96Å; L434-E438 HydrophobicContact CG-CG 4.42Å; L434-E438 WeakPolarHBondContact O-CG 3.33Å; L434-E438 PolarHBondContact O-N 3.46Å; L434-L475 HydrophobicContact CB-CB 4.09Å; L434-L475 HydrophobicContact CD1-CB 3.81Å; L434-L475 HydrophobicContact CG-CB 4.48Å; L434-R476 HydrophobicContact CD1-CG 3.67Å; L434-R476 HydrophobicContact CD2-CG 3.91Å; L434-R476 HydrophobicContact CG-CG 4.46Å; L434-Y479 HydrophobicContact CD2-CG 4.43Å
435C83.8Confident84.7Confident2 Ų222 Ų221%0.01412%0.117CC..Hα-helixtrans-54.1-50.9174.6174.20000112.3L299 W385 T396 P431 E432 S437 F439L299-C435 HydrophobicContact CD1-CB 4.25Å; L299-C435 HydrophobicContact CD2-CB 4.12Å; W385-C435 HydrophobicContact CZ2-CB 4.46Å; T396-C435 VanDerWaalsContact CG2-SG 3.51Å; P431-C435 PolarHBondContact O-N 2.89Å; E432-C435 WeakPolarHBondContact O-CB 3.49Å; E432-C435 PolarHBondContact O-N 2.94Å; C435-S437 VanDerWaalsContact C-N 3.34Å; C435-S437 PolarHBondContact O-N 2.67Å; C435-F439 WeakPolarHBondContact O-CB 3.38Å; C435-F439 PolarHBondContact O-N 3.06Å; C435-F439 VanDerWaalsContact O-N 3.1Å
436L87.1Confident84Confident0 Ų023.2 Ų23.20%013%0.128CC..Hα-helixtrans-63.8-38.3177.8-87.8177.6000112.8W385 L386 F399 L403 I420 I424 E432 A433 L434 A440W385-L436 HydrophobicContact CB-CD1 4.49Å; W385-L436 VanDerWaalsContact CD1-CD1 3.48Å; W385-L436 HydrophobicContact CG-CD1 4.25Å; L386-L436 HydrophobicContact CD1-CD1 3.82Å; L386-L436 HydrophobicContact CD2-CD1 3.93Å; L386-L436 HydrophobicContact CG-CD1 3.82Å; F399-L436 HydrophobicContact CE1-CD2 3.51Å; F399-L436 HydrophobicContact CE1-CG 3.99Å; F399-L436 HydrophobicContact CZ-CD1 4.41Å; F399-L436 HydrophobicContact CZ-CD2 3.74Å; F399-L436 HydrophobicContact CZ-CG 4.22Å; L403-L436 HydrophobicContact CD2-CD2 3.45Å; L403-L436 VanDerWaalsContact CD2-CD2 3.45Å; I420-L436 HydrophobicContact CG2-CD2 4.38Å; I424-L436 HydrophobicContact CD1-CB 3.89Å; I424-L436 HydrophobicContact CG1-CB 4.12Å; E432-L436 PolarHBondContact O-N 2.98Å; E432-L436 VanDerWaalsContact O-N 3.09Å; A433-L436 PolarHBondContact O-N 3.47Å; L434-L436 PolarHBondContact O-N 2.99Å; L436-A440 VanDerWaalsContact O-CB 3.27Å; L436-A440 WeakPolarHBondContact O-CB 3.33Å; L436-A440 PolarHBondContact O-N 3.32Å
437S89.9Confident83.4Confident0 Ų021.3 Ų21.30%011%0.112CC..Hα-helixtrans-67.5-43.7179.7-171.70000112.2A433 L434 C435 A440 T441 M471 C472A433-S437 WeakPolarHBondContact O-CB 3.27Å; A433-S437 PolarHBondContact O-N 3.49Å; L434-S437 PolarHBondContact O-N 2.9Å; C435-S437 VanDerWaalsContact C-N 3.34Å; C435-S437 PolarHBondContact O-N 2.67Å; S437-A440 PolarHBondContact O-N 3.01Å; S437-T441 WeakPolarHBondContact O-CB 3.3Å; S437-T441 PolarHBondContact O-N 2.94Å; S437-T441 PolarHBondContact O-OG1 2.9Å; S437-M471 VanDerWaalsContact OG-CG 3.32Å; S437-M471 WeakPolarHBondContact OG-CG 3.4Å; S437-C472 VanDerWaalsContact C-SG 3.55Å; S437-C472 PolarHBondContact O-SG 3.46Å; S437-C472 PolarHBondContact OG-SG 2.81Å
438E86Confident82.6Confident16 Ų1622.7 Ų22.78%0.07512%0.121CC..Hα-helixtrans-62.6-46.7176.5-68.6-70.8161.700110.6L295 L299 L434 T441 T442 C472 R476L295-E438 HydrophobicContact CD2-CB 3.95Å; L299-E438 HydrophobicContact CD2-CG 4.42Å; L434-E438 HydrophobicContact CD1-CG 3.96Å; L434-E438 HydrophobicContact CG-CG 4.42Å; L434-E438 WeakPolarHBondContact O-CG 3.33Å; L434-E438 PolarHBondContact O-N 3.46Å; E438-T441 WeakPolarHBondContact O-CB 3.36Å; E438-T441 PolarHBondContact O-N 2.75Å; E438-T442 WeakPolarHBondContact O-CG2 3.41Å; E438-T442 PolarHBondContact O-N 2.94Å; E438-C472 WeakPolarHBondContact OE1-CB 3.48Å; E438-R476 IonicContact OE1-CZ 2.59Å; E438-R476 IonicContact OE1-NE 3.45Å; E438-R476 PolarHBondContact OE1-NE 2.97Å; E438-R476 IonicContact OE1-NH2 3.47Å; E438-R476 PolarHBondContact OE1-NH2 2.68Å; E438-R476 IonicContact OE2-CZ 2.74Å; E438-R476 IonicContact OE2-NH2 3.88Å; E438-R476 PolarHBondContact OE2-NH2 3.3Å
439F83.4Confident81.9Confident0 Ų020.3 Ų20.30%013%0.126CC..Hα-helixtrans-58.5-52.4175.5171.2-98.1000112.2I287 L295 L400 L403 V404 I407 C435 T441 T442 V443I287-F439 HydrophobicContact CD1-CD2 4.23Å; I287-F439 HydrophobicContact CD1-CE2 3.41Å; I287-F439 VanDerWaalsContact CD1-CE2 3.41Å; I287-F439 HydrophobicContact CD1-CZ 4.01Å; L295-F439 HydrophobicContact CD1-CB 4.39Å; L295-F439 HydrophobicContact CD1-CD2 4.05Å; L400-F439 HydrophobicContact CB-CD2 4.27Å; L400-F439 HydrophobicContact CB-CE2 4.27Å; L400-F439 HydrophobicContact CD1-CB 4.44Å; L400-F439 HydrophobicContact CD1-CD2 3.97Å; L400-F439 HydrophobicContact CD2-CB 3.6Å; L400-F439 HydrophobicContact CD2-CD1 4.03Å; L400-F439 HydrophobicContact CD2-CD2 3.47Å; L400-F439 VanDerWaalsContact CD2-CD2 3.47Å; L400-F439 HydrophobicContact CD2-CE2 4.07Å; L400-F439 HydrophobicContact CD2-CG 3.41Å; L400-F439 VanDerWaalsContact CD2-CG 3.41Å; L400-F439 HydrophobicContact CG-CD2 4.09Å; L400-F439 HydrophobicContact CG-CG 4.46Å; L403-F439 HydrophobicContact CB-CE1 4.41Å; L403-F439 HydrophobicContact CD2-CD1 3.58Å; L403-F439 HydrophobicContact CD2-CE1 3.37Å; L403-F439 HydrophobicContact CD2-CZ 4.23Å; L403-F439 HydrophobicContact CG-CD1 4.44Å; L403-F439 HydrophobicContact CG-CE1 3.74Å; L403-F439 HydrophobicContact CG-CZ 4.29Å; V404-F439 HydrophobicContact CB-CZ 4.46Å; V404-F439 HydrophobicContact CG2-CE2 3.39Å; V404-F439 HydrophobicContact CG2-CZ 3.36Å; I407-F439 HydrophobicContact CD1-CE1 4.12Å; C435-F439 WeakPolarHBondContact O-CB 3.38Å; C435-F439 PolarHBondContact O-N 3.06Å; C435-F439 VanDerWaalsContact O-N 3.1Å; F439-T441 PolarHBondContact O-N 3.3Å; F439-T442 PolarHBondContact O-N 2.91Å; F439-T442 PolarHBondContact O-OG1 3.47Å; F439-V443 HydrophobicContact CD1-CG2 4.23Å; F439-V443 HydrophobicContact CD2-CG2 4.25Å; F439-V443 HydrophobicContact CE1-CG2 3.72Å; F439-V443 HydrophobicContact CE2-CG2 3.79Å; F439-V443 HydrophobicContact CG-CG2 4.48Å; F439-V443 HydrophobicContact CZ-CG2 3.49Å; F439-V443 VanDerWaalsContact CZ-CG2 3.49Å; F439-V443 WeakPolarHBondContact O-CG2 3.46Å; F439-V443 PolarHBondContact O-N 3.33Å
440A84.7Confident80.9Confident0 Ų022.6 Ų22.60%015%0.149CC..Hα-helixtrans-60-37.2-179.600000111.9L417 I420 L436 S437 V443 F444 W468L417-A440 HydrophobicContact CD2-CB 4.18Å; I420-A440 HydrophobicContact CG2-CB 4.42Å; L436-A440 VanDerWaalsContact O-CB 3.27Å; L436-A440 WeakPolarHBondContact O-CB 3.33Å; L436-A440 PolarHBondContact O-N 3.32Å; S437-A440 PolarHBondContact O-N 3.01Å; A440-V443 PolarHBondContact O-N 2.92Å; A440-F444 VanDerWaalsContact O-CB 3.3Å; A440-F444 WeakPolarHBondContact O-CB 3.43Å; A440-F444 PolarHBondContact O-N 3.43Å; A440-W468 HydrophobicContact CB-CD2 4.23Å; A440-W468 HydrophobicContact CB-CE3 3.9Å; A440-W468 HydrophobicContact CB-CH2 3.4Å; A440-W468 VanDerWaalsContact CB-CH2 3.4Å; A440-W468 HydrophobicContact CB-CZ2 3.75Å; A440-W468 HydrophobicContact CB-CZ3 3.5Å; A440-W468 VanDerWaalsContact CB-CZ3 3.5Å
441T85Confident79.4Confident16 Ų1626.1 Ų26.110%0.09818%0.179CC..Hα-helixtrans-61-47.5173.5-530000110.9S437 E438 F439 F444 T445 L465 W468 I469 C472S437-T441 WeakPolarHBondContact O-CB 3.3Å; S437-T441 PolarHBondContact O-N 2.94Å; S437-T441 PolarHBondContact O-OG1 2.9Å; E438-T441 WeakPolarHBondContact O-CB 3.36Å; E438-T441 PolarHBondContact O-N 2.75Å; F439-T441 PolarHBondContact O-N 3.3Å; T441-F444 PolarHBondContact O-N 3.27Å; T441-T445 WeakPolarHBondContact O-CG2 3.39Å; T441-T445 PolarHBondContact O-N 3.29Å; T441-T445 PolarHBondContact O-OG1 3.31Å; T441-L465 HydrophobicContact CG2-CD1 4.16Å; T441-W468 HydrophobicContact CG2-CB 4.18Å; T441-W468 WeakPolarHBondContact OG1-CB 3.37Å; T441-I469 HydrophobicContact CG2-CG1 4.05Å; T441-C472 PolarHBondContact OG1-SG 2.87Å
442T80.3Confident78Confident30 Ų3029 Ų2918%0.18420%0.196CC..Hα-helixtrans-63.4-43.1178.560.60000112.8V291 L295 E438 F439 F444 T445 S446V291-T442 HydrophobicContact CG1-CG2 4.41Å; L295-T442 HydrophobicContact CD1-CG2 4.23Å; L295-T442 HydrophobicContact CD2-CG2 3.84Å; L295-T442 HydrophobicContact CG-CG2 4.22Å; E438-T442 WeakPolarHBondContact O-CG2 3.41Å; E438-T442 PolarHBondContact O-N 2.94Å; F439-T442 PolarHBondContact O-N 2.91Å; F439-T442 PolarHBondContact O-OG1 3.47Å; T442-F444 VanDerWaalsContact C-N 3.35Å; T442-F444 PolarHBondContact O-N 2.98Å; T442-T445 WeakPolarHBondContact CA-OG1 3.07Å; T442-T445 PolarHBondContact O-N 3.14Å; T442-T445 PolarHBondContact O-OG1 3.26Å; T442-S446 PolarHBondContact O-N 3.28Å
443V78.3Confident76.4Confident11 Ų1135.6 Ų35.67%0.06724%0.237CC..Hα-helixtrans-60.2-47.7175.6173.60000110.4I287 L417 F439 A440 T445 S446 L447I287-V443 HydrophobicContact CD1-CG2 3.57Å; I287-V443 HydrophobicContact CG1-CG2 4.42Å; L417-V443 HydrophobicContact CD2-CG1 4.48Å; F439-V443 HydrophobicContact CD1-CG2 4.23Å; F439-V443 HydrophobicContact CD2-CG2 4.25Å; F439-V443 HydrophobicContact CE1-CG2 3.72Å; F439-V443 HydrophobicContact CE2-CG2 3.79Å; F439-V443 HydrophobicContact CG-CG2 4.48Å; F439-V443 HydrophobicContact CZ-CG2 3.49Å; F439-V443 VanDerWaalsContact CZ-CG2 3.49Å; F439-V443 WeakPolarHBondContact O-CG2 3.46Å; F439-V443 PolarHBondContact O-N 3.33Å; A440-V443 PolarHBondContact O-N 2.92Å; V443-T445 VanDerWaalsContact C-N 3.33Å; V443-T445 PolarHBondContact O-N 3.43Å; V443-S446 PolarHBondContact O-N 3.43Å; V443-L447 HydrophobicContact CG1-CD1 3.95Å; V443-L447 HydrophobicContact CG1-CG 4.35Å; V443-L447 WeakPolarHBondContact O-CG 3.33Å; V443-L447 PolarHBondContact O-N 3.13Å
444F78.6Confident74.5Confident6 Ų639.2 Ų39.23%0.02626%0.259CS..Hα-helixtrans-61.9-41.3179.4-164-98.2000111.6L417 A440 T441 T442 S446 L447 C448 D462 R464 L465L417-F444 HydrophobicContact CD1-CB 4.32Å; L417-F444 HydrophobicContact CD1-CD2 3.61Å; L417-F444 HydrophobicContact CD1-CE2 4.47Å; L417-F444 HydrophobicContact CD1-CG 4.45Å; A440-F444 VanDerWaalsContact O-CB 3.3Å; A440-F444 WeakPolarHBondContact O-CB 3.43Å; A440-F444 PolarHBondContact O-N 3.43Å; T441-F444 PolarHBondContact O-N 3.27Å; T442-F444 VanDerWaalsContact C-N 3.35Å; T442-F444 PolarHBondContact O-N 2.98Å; F444-S446 VanDerWaalsContact C-N 3.34Å; F444-S446 PolarHBondContact O-N 3.45Å; F444-L447 PolarHBondContact O-N 2.71Å; F444-C448 WeakPolarHBondContact CE1-SG 3.4Å; F444-C448 PolarHBondContact O-N 2.81Å; F444-C448 PolarHBondContact O-SG 3.31Å; F444-D462 HydrophobicContact CE1-CB 4Å; F444-D462 HydrophobicContact CZ-CB 4.36Å; F444-R464 HydrophobicContact CE1-CB 4.03Å; F444-R464 HydrophobicContact CE2-CB 4.26Å; F444-R464 HydrophobicContact CZ-CB 3.65Å; F444-L465 HydrophobicContact CD1-CB 3.79Å; F444-L465 HydrophobicContact CD1-CD1 4.12Å; F444-L465 HydrophobicContact CD1-CG 4.49Å; F444-L465 HydrophobicContact CE1-CB 3.75Å
445T79Confident72.7Confident59 Ų5942.2 Ų42.236%0.36228%0.281SS..Hα-helixtrans-61.6-40.2174.854.40000113T441 T442 V443 C448 A449 L465T441-T445 WeakPolarHBondContact O-CG2 3.39Å; T441-T445 PolarHBondContact O-N 3.29Å; T441-T445 PolarHBondContact O-OG1 3.31Å; T442-T445 WeakPolarHBondContact CA-OG1 3.07Å; T442-T445 PolarHBondContact O-N 3.14Å; T442-T445 PolarHBondContact O-OG1 3.26Å; V443-T445 VanDerWaalsContact C-N 3.33Å; V443-T445 PolarHBondContact O-N 3.43Å; T445-C448 PolarHBondContact O-N 2.74Å; T445-A449 WeakPolarHBondContact O-CB 3.42Å; T445-A449 PolarHBondContact O-N 3.38Å; T445-L465 HydrophobicContact CG2-CD1 3.4Å; T445-L465 HydrophobicContact CG2-CD2 4.16Å; T445-L465 HydrophobicContact CG2-CG 4.44Å
446S75.3Confident71.2Confident60 Ų6049.1 Ų49.142%0.4233%0.326SS..Hα-helixtrans-66.6-41.9177.4-176.30000111.4T442 V443 F444 A449 S450T442-S446 PolarHBondContact O-N 3.28Å; V443-S446 PolarHBondContact O-N 3.43Å; F444-S446 VanDerWaalsContact C-N 3.34Å; F444-S446 PolarHBondContact O-N 3.45Å; S446-A449 PolarHBondContact O-N 3.25Å; S446-S450 PolarHBondContact O-N 3.25Å
447L72.4Confident69.6Low39 Ų3953.3 Ų53.320%0.20436%0.355CS..Hα-helixtrans-61.1-46.7174.3-69172.5000111.6K413 L417 V443 F444 A449 S450 A451K413-L447 HydrophobicContact CB-CD1 4.22Å; K413-L447 HydrophobicContact CD-CD1 4.4Å; K413-L447 HydrophobicContact CD-CD2 3.77Å; L417-L447 HydrophobicContact CD1-CD1 4.15Å; V443-L447 HydrophobicContact CG1-CD1 3.95Å; V443-L447 HydrophobicContact CG1-CG 4.35Å; V443-L447 WeakPolarHBondContact O-CG 3.33Å; V443-L447 PolarHBondContact O-N 3.13Å; F444-L447 PolarHBondContact O-N 2.71Å; L447-A449 PolarHBondContact O-N 3.12Å; L447-S450 PolarHBondContact O-N 3.49Å; L447-S450 PolarHBondContact O-OG 2.73Å; L447-A451 PolarHBondContact O-N 3.16Å; L447-A451 VanDerWaalsContact O-N 3.14Å
448C70.3Confident67.6Low39 Ų3963.2 Ų63.226%0.26439%0.393SS..Hα-helixtrans-60.8-42.6176.4-68.10000112.3F444 T445 S450 A451 T452F444-C448 WeakPolarHBondContact CE1-SG 3.4Å; F444-C448 PolarHBondContact O-N 2.81Å; F444-C448 PolarHBondContact O-SG 3.31Å; T445-C448 PolarHBondContact O-N 2.74Å; C448-S450 VanDerWaalsContact C-N 3.31Å; C448-S450 PolarHBondContact O-N 3.08Å; C448-A451 PolarHBondContact O-N 3.1Å; C448-T452 PolarHBondContact O-N 3.2Å; C448-T452 PolarHBondContact O-OG1 3.41Å
449A68.8Low66.1Low68 Ų6871.1 Ų71.156%0.56243%0.43SS*.Hα-helixtrans-63.4-36.7178.400000112.4T445 S446 L447 T452T445-A449 WeakPolarHBondContact O-CB 3.42Å; T445-A449 PolarHBondContact O-N 3.38Å; S446-A449 PolarHBondContact O-N 3.25Å; L447-A449 PolarHBondContact O-N 3.12Å; A449-T452 PolarHBondContact O-OG1 3.44Å
450S64Low64.8Low96 Ų9676.2 Ų76.267%0.67146%0.46SS*.Hα-helixtrans-71.7-29.9177.672.60000113.9S446 L447 C448S446-S450 PolarHBondContact O-N 3.25Å; L447-S450 PolarHBondContact O-N 3.49Å; L447-S450 PolarHBondContact O-OG 2.73Å; C448-S450 VanDerWaalsContact C-N 3.31Å; C448-S450 PolarHBondContact O-N 3.08Å
451A56.7Low63.7Low79 Ų7981.7 Ų81.765%0.65349%0.489SS*.Hα-helixtrans-80.8-24.7-177.700000113.1L447 C448 T453L447-A451 PolarHBondContact O-N 3.16Å; L447-A451 VanDerWaalsContact O-N 3.14Å; C448-A451 PolarHBondContact O-N 3.1Å; A451-T453 PolarHBondContact O-N 3.37Å
452T53.3Low63.3Low69 Ų6983.5 Ų83.542%0.42350%0.498SS..  trans-84.2100.5-175.649.70000112.3C448 A449 V454C448-T452 PolarHBondContact O-N 3.2Å; C448-T452 PolarHBondContact O-OG1 3.41Å; A449-T452 PolarHBondContact O-OG1 3.44Å; T452-V454 HydrophobicContact CG2-CB 4.46Å; T452-V454 HydrophobicContact CG2-CG2 3.94Å; T452-V454 PolarHBondContact O-N 3.07Å
453T50.1Low63.2Low147 Ų14789.4 Ų89.490%0.90252%0.521SS*.  trans-80.129.7156.556.90000111.8A451A451-T453 PolarHBondContact O-N 3.37Å
454V51.1Low63.4Low78 Ų7892.6 Ų92.647%0.47353%0.532SS..  trans-92.9137.6-157.5-177.20000112.2T452T452-V454 HydrophobicContact CG2-CB 4.46Å; T452-V454 HydrophobicContact CG2-CG2 3.94Å; T452-V454 PolarHBondContact O-N 3.07Å
455S49.8Very low63.6Low71 Ų7193.8 Ų93.850%0.49754%0.538SS..  trans-54148.3179.655.10000113.5S457S455-S457 PolarHBondContact O-N 3.26Å
456P52.3Low63.9Low148 Ų14894.5 Ų94.596%0.96154%0.539SS*.THydrogen-bonded Turntrans-72.56.6-172.129.3-35.2000115.2
457S52.8Low64.4Low88 Ų8893 Ų9362%0.61553%0.526SS*.THydrogen-bonded Turntrans-94.6-17.2-177.454.20000115S455S455-S457 PolarHBondContact O-N 3.26Å
458W47.3Very low65.2Low208 Ų20891.4 Ų91.479%0.78852%0.517SS*.  trans-143.3123.9178.1-67.188.6000111.5
459Q55.2Low66Low182 Ų18293.2 Ų93.285%0.8552%0.523SS*.  trans-86.7111.5165.7-71.4-180-7.700108.5I461Q459-I461 PolarHBondContact O-N 3.07Å
460T55.2Low67Low106 Ų10690.1 Ų90.165%0.6550%0.498SS*.  trans-76.5112.8167.745.60000108.8
461I61.7Low68.3Low115 Ų11585.6 Ų85.659%0.5947%0.466SS*.  trans-89.9122.3176-53.7174000108.9Q459 I466Q459-I461 PolarHBondContact O-N 3.07Å; I461-I466 HydrophobicContact CG2-CD1 3.72Å; I461-I466 HydrophobicContact CG2-CG1 3.68Å
462D76Confident69.8Low54 Ų5482 Ų8229%0.28944%0.437SS..  trans-73.5132.7174.8-165.4-51.5000110.6F444 R464 L465 I466F444-D462 HydrophobicContact CE1-CB 4Å; F444-D462 HydrophobicContact CZ-CB 4.36Å; D462-R464 PolarHBondContact O-N 2.67Å; D462-R464 WeakPolarHBondContact OD1-CB 3.47Å; D462-R464 PolarHBondContact OD1-N 3.21Å; D462-L465 HydrophobicContact CB-CB 4.31Å; D462-L465 WeakPolarHBondContact O-CB 3.36Å; D462-L465 PolarHBondContact O-N 2.91Å; D462-L465 VanDerWaalsContact O-N 3.15Å; D462-I466 PolarHBondContact O-N 3.27Å
463K79.1Confident71.6Confident154 Ų15482.6 Ų82.667%0.6743%0.433SS*.Hα-helixtrans-59.4-33.7177.2-67.5-179.4-179.1175.80112.5I466 L467K463-I466 PolarHBondContact O-N 2.93Å; K463-L467 PolarHBondContact O-N 3.36Å; K463-L467 VanDerWaalsContact O-N 3.11Å
464R82Confident73.6Confident79 Ų7975.6 Ų75.630%0.29839%0.39SS..Hα-helixtrans-68.1-38.2177.2-70.9-176.1-88.8-1740.4111.4E414 F444 D462 I466 L467 W468E414-R464 IonicContact OE1-NH2 3.85Å; E414-R464 IonicContact OE2-CZ 2.82Å; E414-R464 IonicContact OE2-NH1 2.67Å; E414-R464 PolarHBondContact OE2-NH1 3.44Å; E414-R464 IonicContact OE2-NH2 2.72Å; E414-R464 PolarHBondContact OE2-NH2 2.95Å; F444-R464 HydrophobicContact CE1-CB 4.03Å; F444-R464 HydrophobicContact CE2-CB 4.26Å; F444-R464 HydrophobicContact CZ-CB 3.65Å; D462-R464 PolarHBondContact O-N 2.67Å; D462-R464 WeakPolarHBondContact OD1-CB 3.47Å; D462-R464 PolarHBondContact OD1-N 3.21Å; R464-I466 VanDerWaalsContact C-N 3.3Å; R464-I466 PolarHBondContact O-N 2.97Å; R464-L467 WeakPolarHBondContact O-CB 3.26Å; R464-L467 PolarHBondContact O-N 3.38Å; R464-L467 VanDerWaalsContact O-N 3.16Å; R464-W468 PolarHBondContact O-N 3.5Å
465L83.8Confident75.6Confident30 Ų3072 Ų7216%0.15737%0.368CS..Hα-helixtrans-61-42.5174179.357.4000111.1T441 F444 T445 D462 L467 W468 I469T441-L465 HydrophobicContact CG2-CD1 4.16Å; F444-L465 HydrophobicContact CD1-CB 3.79Å; F444-L465 HydrophobicContact CD1-CD1 4.12Å; F444-L465 HydrophobicContact CD1-CG 4.49Å; F444-L465 HydrophobicContact CE1-CB 3.75Å; T445-L465 HydrophobicContact CG2-CD1 3.4Å; T445-L465 HydrophobicContact CG2-CD2 4.16Å; T445-L465 HydrophobicContact CG2-CG 4.44Å; D462-L465 HydrophobicContact CB-CB 4.31Å; D462-L465 WeakPolarHBondContact O-CB 3.36Å; D462-L465 PolarHBondContact O-N 2.91Å; D462-L465 VanDerWaalsContact O-N 3.15Å; L465-L467 VanDerWaalsContact C-N 3.3Å; L465-L467 PolarHBondContact O-N 3.46Å; L465-W468 PolarHBondContact O-N 3.38Å; L465-I469 HydrophobicContact CD1-CD1 4Å; L465-I469 HydrophobicContact CD1-CG1 4.22Å; L465-I469 HydrophobicContact CG-CD1 3.87Å; L465-I469 VanDerWaalsContact O-CG1 3.28Å; L465-I469 WeakPolarHBondContact O-CG1 3.4Å; L465-I469 PolarHBondContact O-N 3.43Å
466I83.9Confident77.5Confident75 Ų7572.8 Ų72.839%0.38536%0.361SS..Hα-helixtrans-60.1-42.3175.9-61.7171000110.8I461 D462 K463 R464 I469 A470I461-I466 HydrophobicContact CG2-CD1 3.72Å; I461-I466 HydrophobicContact CG2-CG1 3.68Å; D462-I466 PolarHBondContact O-N 3.27Å; K463-I466 PolarHBondContact O-N 2.93Å; R464-I466 VanDerWaalsContact C-N 3.3Å; R464-I466 PolarHBondContact O-N 2.97Å; I466-I469 PolarHBondContact O-N 2.99Å; I466-A470 WeakPolarHBondContact O-CB 3.42Å; I466-A470 PolarHBondContact O-N 3.41Å
467L86.8Confident79.4Confident27 Ų2765.8 Ų65.814%0.14132%0.315CS..Hα-helixtrans-63.1-43.4177.1-79.7173.1000112.8K463 R464 L465 A470 M471 F677 M680K463-L467 PolarHBondContact O-N 3.36Å; K463-L467 VanDerWaalsContact O-N 3.11Å; R464-L467 WeakPolarHBondContact O-CB 3.26Å; R464-L467 PolarHBondContact O-N 3.38Å; R464-L467 VanDerWaalsContact O-N 3.16Å; L465-L467 VanDerWaalsContact C-N 3.3Å; L465-L467 PolarHBondContact O-N 3.46Å; L467-A470 PolarHBondContact O-N 3.48Å; L467-M471 WeakPolarHBondContact O-CB 3.25Å; L467-M471 PolarHBondContact O-N 3.45Å; L467-F677 HydrophobicContact CD2-CD2 4.41Å; L467-M680 HydrophobicContact CD1-SD 3.74Å; L467-M680 HydrophobicContact CD2-CB 3.8Å; L467-M680 HydrophobicContact CD2-CG 4.21Å; L467-M680 HydrophobicContact CD2-SD 3.55Å; L467-M680 VanDerWaalsContact CD2-SD 3.55Å; L467-M680 HydrophobicContact CG-SD 3.73Å
468W88.3Confident81.2Confident6 Ų661.6 Ų61.62%0.02329%0.286CS..Hα-helixtrans-62.6-44176.1-82.6118.2000112.4L417 I420 Y421 I424 A440 T441 R464 L465 A470 M471 C472L417-W468 HydrophobicContact CB-CZ2 4.43Å; I420-W468 HydrophobicContact CB-CH2 4.49Å; I420-W468 HydrophobicContact CG2-CH2 4.11Å; Y421-W468 HydrophobicContact CD2-CD2 4.16Å; Y421-W468 AromaticContact CD2-CE2 3.96Å; Y421-W468 HydrophobicContact CD2-CE3 4.15Å; Y421-W468 AromaticContact CD2-CH2 3.79Å; Y421-W468 HydrophobicContact CD2-CH2 3.79Å; Y421-W468 AromaticContact CD2-CZ2 3.8Å; Y421-W468 HydrophobicContact CD2-CZ2 3.8Å; Y421-W468 AromaticContact CD2-CZ3 3.96Å; Y421-W468 HydrophobicContact CD2-CZ3 3.96Å; Y421-W468 HydrophobicContact CG-CH2 4.25Å; Y421-W468 HydrophobicContact CG-CZ2 4.23Å; I424-W468 HydrophobicContact CD1-CH2 4.03Å; I424-W468 HydrophobicContact CD1-CZ3 3.71Å; A440-W468 HydrophobicContact CB-CD2 4.23Å; A440-W468 HydrophobicContact CB-CE3 3.9Å; A440-W468 HydrophobicContact CB-CH2 3.4Å; A440-W468 VanDerWaalsContact CB-CH2 3.4Å; A440-W468 HydrophobicContact CB-CZ2 3.75Å; A440-W468 HydrophobicContact CB-CZ3 3.5Å; A440-W468 VanDerWaalsContact CB-CZ3 3.5Å; T441-W468 HydrophobicContact CG2-CB 4.18Å; T441-W468 WeakPolarHBondContact OG1-CB 3.37Å; R464-W468 PolarHBondContact O-N 3.5Å; L465-W468 PolarHBondContact O-N 3.38Å; W468-A470 VanDerWaalsContact C-N 3.33Å; W468-A470 PolarHBondContact O-N 2.81Å; W468-M471 WeakPolarHBondContact O-CB 3.37Å; W468-M471 PolarHBondContact O-N 3.5Å; W468-C472 PolarHBondContact O-N 2.87Å; W468-C472 PolarHBondContact O-SG 3.26Å
469I88.1Confident83.2Confident77 Ų7755 Ų5540%0.39526%0.261SS..Hα-helixtrans-62.7-42.9175.4-67.2166.1000110.6T441 L465 I466 C472 K473T441-I469 HydrophobicContact CG2-CG1 4.05Å; L465-I469 HydrophobicContact CD1-CD1 4Å; L465-I469 HydrophobicContact CD1-CG1 4.22Å; L465-I469 HydrophobicContact CG-CD1 3.87Å; L465-I469 VanDerWaalsContact O-CG1 3.28Å; L465-I469 WeakPolarHBondContact O-CG1 3.4Å; L465-I469 PolarHBondContact O-N 3.43Å; I466-I469 PolarHBondContact O-N 2.99Å; I469-C472 PolarHBondContact O-N 3.42Å; I469-K473 PolarHBondContact O-N 3.43Å; I469-K473 VanDerWaalsContact O-N 3.1Å
470A89.6Confident84.9Confident4 Ų448 Ų483%0.03323%0.229CC..Hα-helixtrans-64.9-44.1177.300000111.7I466 L467 W468 C472 K473 V474 F673 F677I466-A470 WeakPolarHBondContact O-CB 3.42Å; I466-A470 PolarHBondContact O-N 3.41Å; L467-A470 PolarHBondContact O-N 3.48Å; W468-A470 VanDerWaalsContact C-N 3.33Å; W468-A470 PolarHBondContact O-N 2.81Å; A470-C472 VanDerWaalsContact C-N 3.32Å; A470-C472 PolarHBondContact O-N 3.27Å; A470-K473 PolarHBondContact O-N 2.84Å; A470-K473 VanDerWaalsContact O-N 3.16Å; A470-V474 WeakPolarHBondContact O-CG2 3.33Å; A470-V474 PolarHBondContact O-N 3.1Å; A470-F673 HydrophobicContact CB-CD2 4.2Å; A470-F677 HydrophobicContact CB-CB 3.94Å; A470-F677 HydrophobicContact CB-CD2 4.1Å; A470-F677 HydrophobicContact CB-CG 4.35Å
471M91Very high86.7Confident0 Ų043 Ų430%020%0.198CC..Hα-helixtrans-54.6-47.7174.1-176.869.28300111.3Y421 I424 L425 S437 L467 W468 K473 V474 L475 L506 F677Y421-M471 HydrophobicContact CD2-CE 4.07Å; Y421-M471 HydrophobicContact CE1-CE 4.34Å; Y421-M471 HydrophobicContact CE2-CE 3.48Å; Y421-M471 VanDerWaalsContact CE2-CE 3.48Å; I424-M471 HydrophobicContact CG2-CE 4.21Å; I424-M471 HydrophobicContact CG2-CG 4.28Å; I424-M471 HydrophobicContact CG2-SD 4.03Å; L425-M471 HydrophobicContact CD2-CE 3.53Å; L425-M471 HydrophobicContact CG-CE 3.82Å; S437-M471 VanDerWaalsContact OG-CG 3.32Å; S437-M471 WeakPolarHBondContact OG-CG 3.4Å; L467-M471 WeakPolarHBondContact O-CB 3.25Å; L467-M471 PolarHBondContact O-N 3.45Å; W468-M471 WeakPolarHBondContact O-CB 3.37Å; W468-M471 PolarHBondContact O-N 3.5Å; M471-K473 PolarHBondContact O-N 3.28Å; M471-V474 PolarHBondContact O-N 3.46Å; M471-L475 HydrophobicContact CG-CD1 3.78Å; M471-L475 HydrophobicContact CG-CG 4.46Å; M471-L475 WeakPolarHBondContact O-CB 3.46Å; M471-L475 WeakPolarHBondContact O-CG 3.4Å; M471-L475 PolarHBondContact O-N 2.66Å; M471-L475 HydrophobicContact SD-CD1 4.14Å; M471-L475 HydrophobicContact SD-CG 4.42Å; M471-L506 HydrophobicContact CE-CD1 4.3Å; M471-L506 HydrophobicContact SD-CD1 3.42Å; M471-L506 WeakPolarHBondContact SD-CD1 3.31Å; M471-L506 HydrophobicContact SD-CD2 3.9Å; M471-L506 HydrophobicContact SD-CG 4.32Å; M471-F677 HydrophobicContact CB-CE2 3.89Å; M471-F677 HydrophobicContact CE-CE2 3.49Å; M471-F677 VanDerWaalsContact CE-CE2 3.49Å; M471-F677 HydrophobicContact CE-CZ 3.61Å; M471-F677 HydrophobicContact CG-CE2 4.37Å; M471-F677 HydrophobicContact SD-CE2 3.58Å; M471-F677 VanDerWaalsContact SD-CE2 3.58Å; M471-F677 HydrophobicContact SD-CZ 3.43Å; M471-F677 WeakPolarHBondContact SD-CZ 3.28Å
472C89.6Confident88Confident5 Ų539.6 Ų39.63%0.03418%0.18CC..Hα-helixtrans-58.9-45.4177.1-67.10000111.8S437 E438 T441 W468 I469 A470 V474 L475 R476S437-C472 VanDerWaalsContact C-SG 3.55Å; S437-C472 PolarHBondContact O-SG 3.46Å; S437-C472 PolarHBondContact OG-SG 2.81Å; E438-C472 WeakPolarHBondContact OE1-CB 3.48Å; T441-C472 PolarHBondContact OG1-SG 2.87Å; W468-C472 PolarHBondContact O-N 2.87Å; W468-C472 PolarHBondContact O-SG 3.26Å; I469-C472 PolarHBondContact O-N 3.42Å; A470-C472 VanDerWaalsContact C-N 3.32Å; A470-C472 PolarHBondContact O-N 3.27Å; C472-V474 PolarHBondContact O-N 2.77Å; C472-L475 PolarHBondContact O-N 3.2Å; C472-R476 WeakPolarHBondContact O-CB 3.32Å; C472-R476 VanDerWaalsContact O-CG 3.24Å; C472-R476 WeakPolarHBondContact O-CG 3.41Å; C472-R476 PolarHBondContact O-N 2.97Å
473K90.6Very high88.5Confident81 Ų8138.5 Ų38.535%0.35218%0.182SC..Hα-helixtrans-61.3-43.8177.1-73.2-175.8175.2-169.90112.4I469 A470 M471 R476 G477 F673I469-K473 PolarHBondContact O-N 3.43Å; I469-K473 VanDerWaalsContact O-N 3.1Å; A470-K473 PolarHBondContact O-N 2.84Å; A470-K473 VanDerWaalsContact O-N 3.16Å; M471-K473 PolarHBondContact O-N 3.28Å; K473-R476 PolarHBondContact O-N 3.41Å; K473-G477 PolarHBondContact O-N 3.43Å; K473-F673 HydrophobicContact CB-CD2 4.25Å; K473-F673 HydrophobicContact CB-CE2 3.64Å; K473-F673 HydrophobicContact CB-CZ 4.19Å; K473-F673 HydrophobicContact CD-CD1 4.49Å; K473-F673 HydrophobicContact CD-CD2 3.97Å; K473-F673 HydrophobicContact CD-CE1 4.36Å; K473-F673 HydrophobicContact CD-CE2 3.86Å; K473-F673 HydrophobicContact CD-CG 4.29Å; K473-F673 HydrophobicContact CD-CZ 4.04Å; K473-F673 HydrophobicContact CG-CE2 4.43Å
474V92.3Very high89Confident0 Ų031.3 Ų31.30%015%0.15CC..Hα-helixtrans-64.4-45.9178.2176.40000111A470 M471 C472 G477 L478 L506 V509 F517 F673 L674 F677A470-V474 WeakPolarHBondContact O-CG2 3.33Å; A470-V474 PolarHBondContact O-N 3.1Å; M471-V474 PolarHBondContact O-N 3.46Å; C472-V474 PolarHBondContact O-N 2.77Å; V474-G477 PolarHBondContact O-N 3.3Å; V474-L478 HydrophobicContact CG1-CD1 4.45Å; V474-L478 PolarHBondContact O-N 2.96Å; V474-L506 HydrophobicContact CB-CD2 4.3Å; V474-L506 HydrophobicContact CG1-CD2 3.5Å; V474-L506 VanDerWaalsContact CG1-CD2 3.5Å; V474-V509 HydrophobicContact CG1-CB 4.43Å; V474-V509 HydrophobicContact CG1-CG1 3.94Å; V474-V509 HydrophobicContact CG1-CG2 4.28Å; V474-F517 HydrophobicContact CG1-CZ 4Å; V474-F673 HydrophobicContact CG2-CE2 4.38Å; V474-L674 HydrophobicContact CG2-CD1 3.59Å; V474-F677 HydrophobicContact CG1-CE1 4.32Å; V474-F677 HydrophobicContact CG2-CD1 3.96Å; V474-F677 HydrophobicContact CG2-CE1 4.23Å; V474-F677 HydrophobicContact CG2-CG 4.38Å
475L91.4Very high89.3Confident2 Ų227.6 Ų27.61%0.0114%0.137CC..Hα-helixtrans-65.3-38.5177.7-77.7169000112.6I424 I430 A433 L434 M471 C472 G477 L478 Y479 L506I424-L475 HydrophobicContact CG2-CD1 3.93Å; I430-L475 HydrophobicContact CG2-CD2 4.35Å; A433-L475 HydrophobicContact CB-CD1 4.21Å; A433-L475 HydrophobicContact CB-CD2 3.87Å; L434-L475 HydrophobicContact CB-CB 4.09Å; L434-L475 HydrophobicContact CD1-CB 3.81Å; L434-L475 HydrophobicContact CG-CB 4.48Å; M471-L475 HydrophobicContact CG-CD1 3.78Å; M471-L475 HydrophobicContact CG-CG 4.46Å; M471-L475 WeakPolarHBondContact O-CB 3.46Å; M471-L475 WeakPolarHBondContact O-CG 3.4Å; M471-L475 PolarHBondContact O-N 2.66Å; M471-L475 HydrophobicContact SD-CD1 4.14Å; M471-L475 HydrophobicContact SD-CG 4.42Å; C472-L475 PolarHBondContact O-N 3.2Å; L475-G477 VanDerWaalsContact C-N 3.33Å; L475-L478 HydrophobicContact CD2-CD1 4.39Å; L475-L478 PolarHBondContact O-N 3.21Å; L475-Y479 WeakPolarHBondContact O-CB 3.24Å; L475-Y479 PolarHBondContact O-N 3.15Å; L475-L506 HydrophobicContact CD1-CD1 4.31Å; L475-L506 HydrophobicContact CD2-CD1 3.68Å; L475-L506 HydrophobicContact CD2-CD2 4Å; L475-L506 HydrophobicContact CD2-CG 3.75Å; L475-L506 HydrophobicContact CG-CD1 4.07Å; L475-L506 HydrophobicContact CG-CD2 4.1Å; L475-L506 HydrophobicContact CG-CG 4.31Å
476R90.3Very high89.4Confident88 Ų8830.2 Ų30.233%0.33215%0.151SC..Hα-helixtrans-61.2-43.4171.4-74174.9-174.3176.2-3111.3L434 E438 C472 K473 L478 Y479 I480 L553L434-R476 HydrophobicContact CD1-CG 3.67Å; L434-R476 HydrophobicContact CD2-CG 3.91Å; L434-R476 HydrophobicContact CG-CG 4.46Å; E438-R476 IonicContact OE1-CZ 2.59Å; E438-R476 IonicContact OE1-NE 3.45Å; E438-R476 PolarHBondContact OE1-NE 2.97Å; E438-R476 IonicContact OE1-NH2 3.47Å; E438-R476 PolarHBondContact OE1-NH2 2.68Å; E438-R476 IonicContact OE2-CZ 2.74Å; E438-R476 IonicContact OE2-NH2 3.88Å; E438-R476 PolarHBondContact OE2-NH2 3.3Å; C472-R476 WeakPolarHBondContact O-CB 3.32Å; C472-R476 VanDerWaalsContact O-CG 3.24Å; C472-R476 WeakPolarHBondContact O-CG 3.41Å; C472-R476 PolarHBondContact O-N 2.97Å; K473-R476 PolarHBondContact O-N 3.41Å; R476-L478 VanDerWaalsContact C-N 3.35Å; R476-L478 PolarHBondContact O-N 3.47Å; R476-Y479 PolarHBondContact O-N 3.16Å; R476-I480 WeakPolarHBondContact O-CD1 3.36Å; R476-I480 WeakPolarHBondContact O-CG1 3.46Å; R476-I480 PolarHBondContact O-N 2.9Å; R476-L553 HydrophobicContact CB-CD1 4.03Å
477G92Very high89.6Confident0 Ų030.7 Ų30.70%015%0.152CC..Hα-helixtrans-57.6-47.4173.400000112.3K473 V474 L475 Y479 I480 L481 F517K473-G477 PolarHBondContact O-N 3.43Å; V474-G477 PolarHBondContact O-N 3.3Å; L475-G477 VanDerWaalsContact C-N 3.33Å; G477-Y479 VanDerWaalsContact C-N 3.32Å; G477-Y479 PolarHBondContact O-N 3.43Å; G477-I480 PolarHBondContact O-N 2.62Å; G477-L481 VanDerWaalsContact O-CB 3.31Å; G477-L481 WeakPolarHBondContact O-CB 3.45Å; G477-L481 PolarHBondContact O-N 3.14Å; G477-F517 VanDerWaalsContact C-CE1 3.45Å
478L91.8Very high89.6Confident0 Ų029.5 Ų29.50%015%0.146CC..Hα-helixtrans-63.3-39177.5-78.7173.7000111.8I430 V474 L475 R476 L481 Q482 L506 V509 Y516 F517I430-L478 HydrophobicContact CD1-CB 3.97Å; I430-L478 HydrophobicContact CG1-CB 4.18Å; I430-L478 HydrophobicContact CG2-CB 3.71Å; V474-L478 HydrophobicContact CG1-CD1 4.45Å; V474-L478 PolarHBondContact O-N 2.96Å; L475-L478 HydrophobicContact CD2-CD1 4.39Å; L475-L478 PolarHBondContact O-N 3.21Å; R476-L478 VanDerWaalsContact C-N 3.35Å; R476-L478 PolarHBondContact O-N 3.47Å; L478-L481 PolarHBondContact O-N 3.42Å; L478-Q482 VanDerWaalsContact O-CB 3.26Å; L478-Q482 WeakPolarHBondContact O-CB 3.47Å; L478-Q482 PolarHBondContact O-N 3.14Å; L478-L506 HydrophobicContact CD1-CD2 3.85Å; L478-L506 HydrophobicContact CD1-CG 4.04Å; L478-V509 HydrophobicContact CD1-CG2 3.93Å; L478-V509 HydrophobicContact CD2-CG2 3.75Å; L478-V509 HydrophobicContact CG-CG2 4.04Å; L478-Y516 HydrophobicContact CD2-CE1 3.68Å; L478-F517 HydrophobicContact CD2-CE1 4.08Å; L478-F517 HydrophobicContact CG-CE1 3.96Å; L478-F517 HydrophobicContact CG-CZ 4.26Å
479Y89.3Confident89.4Confident70 Ų7030.5 Ų30.528%0.27515%0.151SC..Hα-helixtrans-64.6-46178.9-179-109.4000111.5N301 I302 P431 L434 L475 R476 G477 Q482 G483N301-Y479 PolarHBondContact O-OH 2.76Å; I302-Y479 HydrophobicContact CG1-CE2 4.36Å; P431-Y479 HydrophobicContact CB-CD2 4.04Å; P431-Y479 HydrophobicContact CB-CE2 3.87Å; P431-Y479 HydrophobicContact CG-CD2 3.91Å; P431-Y479 HydrophobicContact CG-CE2 3.84Å; L434-Y479 HydrophobicContact CD2-CG 4.43Å; L475-Y479 WeakPolarHBondContact O-CB 3.24Å; L475-Y479 PolarHBondContact O-N 3.15Å; R476-Y479 PolarHBondContact O-N 3.16Å; G477-Y479 VanDerWaalsContact C-N 3.32Å; G477-Y479 PolarHBondContact O-N 3.43Å; Y479-Q482 PolarHBondContact O-N 3.07Å; Y479-G483 PolarHBondContact O-N 3.12Å
480I90.9Very high89.1Confident35 Ų3530.6 Ų30.618%0.17916%0.159CC..Hα-helixtrans-64.4-43.9176.7-64.8156.3000110.6R476 G477 Q482 G483 F484 A546 L550 L553R476-I480 WeakPolarHBondContact O-CD1 3.36Å; R476-I480 WeakPolarHBondContact O-CG1 3.46Å; R476-I480 PolarHBondContact O-N 2.9Å; G477-I480 PolarHBondContact O-N 2.62Å; I480-Q482 VanDerWaalsContact C-N 3.35Å; I480-Q482 PolarHBondContact O-N 3.11Å; I480-G483 PolarHBondContact O-N 3.12Å; I480-F484 PolarHBondContact O-N 3.01Å; I480-A546 HydrophobicContact CG2-CB 3.91Å; I480-L550 HydrophobicContact CB-CD2 4.18Å; I480-L550 HydrophobicContact CB-CG 4.39Å; I480-L550 HydrophobicContact CG2-CD1 4.3Å; I480-L550 HydrophobicContact CG2-CD2 4.1Å; I480-L550 HydrophobicContact CG2-CG 3.75Å; I480-L553 HydrophobicContact CD1-CD1 3.43Å; I480-L553 VanDerWaalsContact CD1-CD1 3.43Å
481L91.6Very high88.7Confident0 Ų035.8 Ų35.80%018%0.182CC..Hα-helixtrans-62.8-42.1177.7-176.167.4000111.4G477 L478 F484 V485 M504 Y516 F517 M520 F521 L550G477-L481 VanDerWaalsContact O-CB 3.31Å; G477-L481 WeakPolarHBondContact O-CB 3.45Å; G477-L481 PolarHBondContact O-N 3.14Å; L478-L481 PolarHBondContact O-N 3.42Å; L481-F484 HydrophobicContact CD1-CD1 4.28Å; L481-F484 WeakPolarHBondContact O-CB 3.28Å; L481-F484 PolarHBondContact O-N 2.69Å; L481-V485 WeakPolarHBondContact O-CG2 3.33Å; L481-V485 PolarHBondContact O-N 3.01Å; L481-M504 HydrophobicContact CD2-SD 4.38Å; L481-M504 HydrophobicContact CG-SD 4.18Å; L481-Y516 HydrophobicContact CD2-CE1 4.07Å; L481-F517 HydrophobicContact CD2-CD1 4.23Å; L481-M520 HydrophobicContact CD1-CB 4.15Å; L481-M520 HydrophobicContact CD2-CB 3.67Å; L481-M520 HydrophobicContact CD2-CG 4.24Å; L481-M520 HydrophobicContact CG-CB 4.45Å; L481-F521 HydrophobicContact CD1-CB 4.35Å; L481-L550 HydrophobicContact CD1-CD1 4.46Å
482Q88.8Confident88Confident44 Ų4438.2 Ų38.221%0.20620%0.195CC..Hα-helixtrans-62.4-42.7174.9179.417645.300111.7I430 L478 Y479 I480 F484 V485 N486 M504I430-Q482 HydrophobicContact CD1-CB 4.14Å; L478-Q482 VanDerWaalsContact O-CB 3.26Å; L478-Q482 WeakPolarHBondContact O-CB 3.47Å; L478-Q482 PolarHBondContact O-N 3.14Å; Y479-Q482 PolarHBondContact O-N 3.07Å; I480-Q482 VanDerWaalsContact C-N 3.35Å; I480-Q482 PolarHBondContact O-N 3.11Å; Q482-F484 VanDerWaalsContact C-N 3.34Å; Q482-F484 PolarHBondContact O-N 3.19Å; Q482-V485 PolarHBondContact O-N 3.23Å; Q482-N486 WeakPolarHBondContact O-CB 3.45Å; Q482-N486 PolarHBondContact O-N 3.43Å; Q482-N486 PolarHBondContact O-ND2 3.45Å; Q482-N486 PolarHBondContact O-OD1 3.22Å; Q482-M504 VanDerWaalsContact CA-SD 3.6Å; Q482-M504 HydrophobicContact CB-CE 3.74Å; Q482-M504 HydrophobicContact CB-SD 3.93Å; Q482-M504 HydrophobicContact CG-CE 3.73Å
483G86.9Confident87.1Confident32 Ų3241.9 Ų41.933%0.3322%0.219SC..Hα-helixtrans-58.9-44.7173.100000112.3Y479 I480 N486 M487Y479-G483 PolarHBondContact O-N 3.12Å; I480-G483 PolarHBondContact O-N 3.12Å; G483-N486 PolarHBondContact O-N 2.84Å; G483-M487 WeakPolarHBondContact O-CB 3.46Å; G483-M487 WeakPolarHBondContact O-CG 3.34Å; G483-M487 PolarHBondContact O-N 3.18Å
484F90.8Very high85.9Confident2 Ų243 Ų431%0.00924%0.237CC..Hα-helixtrans-60.6-46.9175.8168.2-108.5000112.4I480 L481 Q482 M487 W488 F521 W542 W543 A546I480-F484 PolarHBondContact O-N 3.01Å; L481-F484 HydrophobicContact CD1-CD1 4.28Å; L481-F484 WeakPolarHBondContact O-CB 3.28Å; L481-F484 PolarHBondContact O-N 2.69Å; Q482-F484 VanDerWaalsContact C-N 3.34Å; Q482-F484 PolarHBondContact O-N 3.19Å; F484-M487 PolarHBondContact O-N 3.25Å; F484-W488 WeakPolarHBondContact O-CB 3.37Å; F484-W488 PolarHBondContact O-N 3.05Å; F484-F521 AromaticContact CD1-CD2 3.93Å; F484-F521 HydrophobicContact CD1-CD2 3.93Å; F484-F521 HydrophobicContact CD1-CE2 4.3Å; F484-F521 HydrophobicContact CD2-CE2 4.16Å; F484-F521 AromaticContact CE1-CD2 3.69Å; F484-F521 HydrophobicContact CE1-CD2 3.69Å; F484-F521 AromaticContact CE1-CE2 3.98Å; F484-F521 HydrophobicContact CE1-CE2 3.98Å; F484-F521 HydrophobicContact CE1-CG 4.42Å; F484-F521 HydrophobicContact CE2-CD2 4.41Å; F484-F521 AromaticContact CE2-CE2 3.87Å; F484-F521 HydrophobicContact CE2-CE2 3.87Å; F484-F521 HydrophobicContact CG-CD2 4.36Å; F484-F521 HydrophobicContact CG-CE2 4.37Å; F484-F521 AromaticContact CZ-CD2 3.97Å; F484-F521 HydrophobicContact CZ-CD2 3.97Å; F484-F521 AromaticContact CZ-CE2 3.77Å; F484-F521 HydrophobicContact CZ-CE2 3.77Å; F484-F521 HydrophobicContact CZ-CZ 4.42Å; F484-W542 HydrophobicContact CD2-CH2 4.12Å; F484-W542 AromaticContact CD2-CZ3 3.73Å; F484-W542 HydrophobicContact CD2-CZ3 3.73Å; F484-W542 AromaticContact CE2-CH2 3.78Å; F484-W542 HydrophobicContact CE2-CH2 3.78Å; F484-W542 AromaticContact CE2-CZ3 3.84Å; F484-W542 HydrophobicContact CE2-CZ3 3.84Å; F484-W543 HydrophobicContact CD2-CB 4.11Å; F484-W543 HydrophobicContact CE2-CB 3.7Å; F484-A546 HydrophobicContact CB-CB 3.93Å; F484-A546 HydrophobicContact CD2-CB 4.41Å
485V88.5Confident84.5Confident2 Ų243.7 Ų43.71%0.01224%0.243CC..Hα-helixtrans-64.6-43178.71740000111.2L481 Q482 M487 W488 E489 M504 Y524L481-V485 WeakPolarHBondContact O-CG2 3.33Å; L481-V485 PolarHBondContact O-N 3.01Å; Q482-V485 PolarHBondContact O-N 3.23Å; V485-M487 PolarHBondContact O-N 3.44Å; V485-W488 WeakPolarHBondContact O-CB 3.29Å; V485-W488 PolarHBondContact O-N 3.46Å; V485-E489 HydrophobicContact CG1-CG 4.38Å; V485-E489 WeakPolarHBondContact O-CG 3.48Å; V485-E489 PolarHBondContact O-N 3.25Å; V485-M504 HydrophobicContact CB-CE 4.15Å; V485-M504 HydrophobicContact CG1-CE 4.32Å; V485-M504 HydrophobicContact CG2-CE 4.4Å; V485-M504 HydrophobicContact CG2-SD 4.19Å; V485-Y524 HydrophobicContact CG1-CE1 4Å; V485-Y524 HydrophobicContact CG1-CE2 4.2Å; V485-Y524 HydrophobicContact CG2-CD2 3.68Å; V485-Y524 HydrophobicContact CG2-CE2 3.48Å; V485-Y524 VanDerWaalsContact CG2-CE2 3.48Å; V485-Y524 HydrophobicContact CG2-CG 4.3Å
486N85.1Confident83Confident84 Ų8447.4 Ų47.445%0.44926%0.26SS..Hα-helixtrans-62.9-42.3177.8-69.1-10.2000111.7Q482 G483 E489 S490Q482-N486 WeakPolarHBondContact O-CB 3.45Å; Q482-N486 PolarHBondContact O-N 3.43Å; Q482-N486 PolarHBondContact O-ND2 3.45Å; Q482-N486 PolarHBondContact O-OD1 3.22Å; G483-N486 PolarHBondContact O-N 2.84Å; N486-E489 PolarHBondContact O-N 3.02Å; N486-S490 PolarHBondContact O-N 2.95Å
487M87Confident81.4Confident85 Ų8551.9 Ų51.942%0.41928%0.284SS..Hα-helixtrans-63.6-43.7173.6-74.7-171.37200111.6G483 F484 V485 E489 S490 Q491 W542G483-M487 WeakPolarHBondContact O-CB 3.46Å; G483-M487 WeakPolarHBondContact O-CG 3.34Å; G483-M487 PolarHBondContact O-N 3.18Å; F484-M487 PolarHBondContact O-N 3.25Å; V485-M487 PolarHBondContact O-N 3.44Å; M487-E489 PolarHBondContact O-N 3.21Å; M487-S490 PolarHBondContact O-N 2.85Å; M487-S490 PolarHBondContact O-OG 2.91Å; M487-Q491 WeakPolarHBondContact O-CG 3.37Å; M487-Q491 PolarHBondContact O-N 3.24Å; M487-Q491 VanDerWaalsContact O-N 3.1Å; M487-W542 HydrophobicContact CB-CE3 3.87Å; M487-W542 HydrophobicContact CB-CZ3 3.69Å; M487-W542 HydrophobicContact CE-CB 4.11Å; M487-W542 HydrophobicContact CE-CE3 3.96Å; M487-W542 HydrophobicContact SD-CE3 4.44Å
488W86.8Confident79.9Confident2 Ų256 Ų561%0.00831%0.313CS..Hα-helixtrans-56.7-47.5174.5-178.290.9000112.2F484 V485 S490 Q491 N492 A495 V499 Y524 I527 M528 W542F484-W488 WeakPolarHBondContact O-CB 3.37Å; F484-W488 PolarHBondContact O-N 3.05Å; V485-W488 WeakPolarHBondContact O-CB 3.29Å; V485-W488 PolarHBondContact O-N 3.46Å; W488-S490 VanDerWaalsContact C-N 3.27Å; W488-S490 PolarHBondContact O-N 2.92Å; W488-Q491 PolarHBondContact O-N 2.66Å; W488-Q491 VanDerWaalsContact O-N 3.16Å; W488-N492 PolarHBondContact O-N 2.79Å; W488-N492 PolarHBondContact O-ND2 2.86Å; W488-A495 HydrophobicContact CH2-CB 3.73Å; W488-A495 HydrophobicContact CZ2-CB 4.14Å; W488-V499 HydrophobicContact CH2-CB 4.46Å; W488-V499 HydrophobicContact CH2-CG2 3.8Å; W488-Y524 AromaticContact CD2-CD1 3.7Å; W488-Y524 HydrophobicContact CD2-CD1 3.7Å; W488-Y524 HydrophobicContact CD2-CE1 4.49Å; W488-Y524 HydrophobicContact CD2-CG 4.49Å; W488-Y524 AromaticContact CE2-CD1 4Å; W488-Y524 AromaticContact CE3-CD1 3.57Å; W488-Y524 HydrophobicContact CE3-CD1 3.57Å; W488-Y524 AromaticContact CE3-CE1 3.92Å; W488-Y524 HydrophobicContact CE3-CE1 3.92Å; W488-Y524 HydrophobicContact CG-CD1 4.31Å; W488-Y524 HydrophobicContact CH2-CD1 4.13Å; W488-Y524 HydrophobicContact CH2-CE1 4.49Å; W488-Y524 HydrophobicContact CZ2-CD1 4.22Å; W488-Y524 AromaticContact CZ3-CD1 3.8Å; W488-Y524 HydrophobicContact CZ3-CD1 3.8Å; W488-Y524 AromaticContact CZ3-CE1 3.92Å; W488-Y524 HydrophobicContact CZ3-CE1 3.92Å; W488-Y524 PolarHBondContact NE1-O 3.4Å; W488-I527 HydrophobicContact CZ2-CB 4.18Å; W488-I527 HydrophobicContact CZ2-CD1 4.27Å; W488-I527 HydrophobicContact CZ2-CG2 3.87Å; W488-M528 VanDerWaalsContact NE1-CG 3.31Å; W488-W542 HydrophobicContact CB-CH2 3.73Å; W488-W542 HydrophobicContact CB-CZ3 4.46Å; W488-W542 HydrophobicContact CG-CH2 4.35Å
489E84.1Confident78.6Confident27 Ų2756.7 Ų56.713%0.12632%0.317CS..Hα-helixtrans-62.6-34.3178.6-75.5-172.518000112V485 N486 M487 N492 Q496 K501V485-E489 HydrophobicContact CG1-CG 4.38Å; V485-E489 WeakPolarHBondContact O-CG 3.48Å; V485-E489 PolarHBondContact O-N 3.25Å; N486-E489 PolarHBondContact O-N 3.02Å; M487-E489 PolarHBondContact O-N 3.21Å; E489-N492 CarbonylContact O-C 3.6Å; E489-Q496 PolarHBondContact O-NE2 2.94Å; E489-Q496 VanDerWaalsContact O-NE2 3.12Å; E489-K501 VanDerWaalsContact CD-NZ 3.28Å; E489-K501 WeakPolarHBondContact OE1-CE 3.44Å; E489-K501 IonicContact OE1-NZ 2.7Å; E489-K501 PolarHBondContact OE1-NZ 3.34Å; E489-K501 VanDerWaalsContact OE1-NZ 3.08Å; E489-K501 IonicContact OE2-NZ 2.75Å; E489-K501 PolarHBondContact OE2-NZ 2.81Å
490S82.8Confident77.4Confident80 Ų8057.7 Ų57.756%0.55933%0.333SS*.Hα-helixtrans-70.8-31.9175.676.90000113.5N486 M487 W488N486-S490 PolarHBondContact O-N 2.95Å; M487-S490 PolarHBondContact O-N 2.85Å; M487-S490 PolarHBondContact O-OG 2.91Å; W488-S490 VanDerWaalsContact C-N 3.27Å; W488-S490 PolarHBondContact O-N 2.92Å
491Q81.6Confident76.3Confident112 Ų11262.2 Ų62.252%0.52335%0.351SS..Hα-helixtrans-80.3-29.1178.5-66.8-62.9-40.100111.7M487 W488 P493 W542M487-Q491 WeakPolarHBondContact O-CG 3.37Å; M487-Q491 PolarHBondContact O-N 3.24Å; M487-Q491 VanDerWaalsContact O-N 3.1Å; W488-Q491 PolarHBondContact O-N 2.66Å; W488-Q491 VanDerWaalsContact O-N 3.16Å; Q491-P493 VanDerWaalsContact C-CD 3.43Å; Q491-P493 WeakPolarHBondContact O-CD 3.34Å; Q491-W542 HydrophobicContact CG-CZ2 4.42Å
492N75.9Confident75.3Confident51 Ų5166.3 Ų66.327%0.27337%0.37SS..  trans-122.466.2-175.1-63.1-66.4000112.7W488 E489 S494 A495W488-N492 PolarHBondContact O-N 2.79Å; W488-N492 PolarHBondContact O-ND2 2.86Å; E489-N492 CarbonylContact O-C 3.6Å; N492-S494 PolarHBondContact O-N 3.19Å; N492-A495 HydrophobicContact CB-CB 3.99Å; N492-A495 PolarHBondContact O-N 3.16Å; N492-A495 VanDerWaalsContact O-N 3.12Å
493P71.2Confident74.7Confident83 Ų8369.3 Ų69.354%0.53939%0.388SS..G310 helixtrans-61.6-30.8-178.223.6-32.7000113.1Q491 A495Q491-P493 VanDerWaalsContact C-CD 3.43Å; Q491-P493 WeakPolarHBondContact O-CD 3.34Å; P493-A495 VanDerWaalsContact C-N 3.34Å; P493-A495 PolarHBondContact O-N 3.25Å
494S65.6Low74.5Confident105 Ų10568.9 Ų68.973%0.73438%0.377SS*.G310 helixtrans-68.6-29.6177.2510000113.5N492 Q496N492-S494 PolarHBondContact O-N 3.19Å; S494-Q496 VanDerWaalsContact C-N 3.33Å
495A62.4Low74.3Confident14 Ų1468.9 Ų68.912%0.11638%0.377CS..G310 helixtrans-82.5-8.3-177.700000113.5W488 N492 P493 H497 S498 V499W488-A495 HydrophobicContact CH2-CB 3.73Å; W488-A495 HydrophobicContact CZ2-CB 4.14Å; N492-A495 HydrophobicContact CB-CB 3.99Å; N492-A495 PolarHBondContact O-N 3.16Å; N492-A495 VanDerWaalsContact O-N 3.12Å; P493-A495 VanDerWaalsContact C-N 3.34Å; P493-A495 PolarHBondContact O-N 3.25Å; A495-H497 PolarHBondContact O-N 2.89Å; A495-H497 VanDerWaalsContact O-N 3.11Å; A495-S498 PolarHBondContact O-N 3.21Å; A495-S498 PolarHBondContact O-OG 2.98Å; A495-V499 PolarHBondContact O-N 3.48Å
496Q58.9Low74.2Confident80 Ų8068.9 Ų68.937%0.37438%0.377SS..G310 helixtrans-60.2-24.8-179.8-69.3-176.70.200113.2E489 S494E489-Q496 PolarHBondContact O-NE2 2.94Å; E489-Q496 VanDerWaalsContact O-NE2 3.12Å; S494-Q496 VanDerWaalsContact C-N 3.33Å
497H57.6Low74.1Confident181 Ų18171.9 Ų71.984%0.83838%0.382SS*.G310 helixtrans-85.8-20.8178.1-63.9-51.2000113.9A495A495-H497 PolarHBondContact O-N 2.89Å; A495-H497 VanDerWaalsContact O-N 3.11Å
498S60.6Low74Confident86 Ų8670.1 Ų70.160%0.60137%0.374SS*.THydrogen-bonded Turntrans-90.2-29.7-175.360.60000113.1A495A495-S498 PolarHBondContact O-N 3.21Å; A495-S498 PolarHBondContact O-OG 2.98Å
499V64.8Low74Confident16 Ų1670.1 Ų70.110%0.09738%0.375CS..SBendtrans-99.7117-178.1-171.30000110W488 A495 K501 Y524 I527W488-V499 HydrophobicContact CH2-CB 4.46Å; W488-V499 HydrophobicContact CH2-CG2 3.8Å; A495-V499 PolarHBondContact O-N 3.48Å; V499-K501 PolarHBondContact O-N 2.96Å; V499-Y524 HydrophobicContact CG1-CE1 3.98Å; V499-I527 HydrophobicContact CG2-CD1 3.43Å; V499-I527 VanDerWaalsContact CG2-CD1 3.43Å
500P64.4Low73.9Confident91 Ų9169.8 Ų69.859%0.59137%0.374SS*.  trans-62.3123.217524-31000109.5E502P500-E502 PolarHBondContact O-N 3.4Å; P500-E502 VanDerWaalsContact O-N 3.12Å
501K67.4Low73.6Confident130 Ų13069.7 Ų69.757%0.56537%0.367SS*.  trans-62.6112.7173.6-71-166.8175.4-1480108.8E489 V499E489-K501 VanDerWaalsContact CD-NZ 3.28Å; E489-K501 WeakPolarHBondContact OE1-CE 3.44Å; E489-K501 IonicContact OE1-NZ 2.7Å; E489-K501 PolarHBondContact OE1-NZ 3.34Å; E489-K501 VanDerWaalsContact OE1-NZ 3.08Å; E489-K501 IonicContact OE2-NZ 2.75Å; E489-K501 PolarHBondContact OE2-NZ 2.81Å; V499-K501 PolarHBondContact O-N 2.96Å
502E70.8Confident73.2Confident85 Ų8565.8 Ų65.840%0.39735%0.353SS..  trans-90.4131.1171-76.6179-153.400109.7P500 M504 M520 K523P500-E502 PolarHBondContact O-N 3.4Å; P500-E502 VanDerWaalsContact O-N 3.12Å; E502-M504 PolarHBondContact O-N 3.16Å; E502-M520 HydrophobicContact CB-CE 4.25Å; E502-M520 VanDerWaalsContact OE2-SD 3.41Å; E502-K523 VanDerWaalsContact CD-NZ 3.33Å; E502-K523 IonicContact OE1-NZ 3.38Å; E502-K523 PolarHBondContact OE1-NZ 3.36Å
503D74.9Confident72.8Confident108 Ų10863.9 Ų63.958%0.57834%0.344SS*.  trans-65.5104.7178.1-68.4-27.1000110.3Y428 S505 N508Y428-D503 HydrophobicContact CD1-CB 4.4Å; Y428-D503 HydrophobicContact CE1-CB 4.42Å; D503-S505 PolarHBondContact O-N 3.32Å; D503-S505 VanDerWaalsContact O-N 3.07Å; D503-N508 PolarHBondContact O-ND2 3.11Å
504M83.9Confident72.9Confident23 Ų2360.6 Ų60.611%0.11332%0.323CS..  trans-67.5111.3172.6-70.4176.1-7600109.3I430 L481 Q482 V485 E502 M520I430-M504 HydrophobicContact CD1-CB 3.77Å; L481-M504 HydrophobicContact CD2-SD 4.38Å; L481-M504 HydrophobicContact CG-SD 4.18Å; Q482-M504 VanDerWaalsContact CA-SD 3.6Å; Q482-M504 HydrophobicContact CB-CE 3.74Å; Q482-M504 HydrophobicContact CB-SD 3.93Å; Q482-M504 HydrophobicContact CG-CE 3.73Å; V485-M504 HydrophobicContact CB-CE 4.15Å; V485-M504 HydrophobicContact CG1-CE 4.32Å; V485-M504 HydrophobicContact CG2-CE 4.4Å; V485-M504 HydrophobicContact CG2-SD 4.19Å; E502-M504 PolarHBondContact O-N 3.16Å; M504-M520 HydrophobicContact CG-CE 4.41Å
505S86.2Confident73.7Confident1 Ų155.7 Ų55.71%0.00729%0.288CS..  trans-149.3155.1-178.463.80000111D503 R507 N508 V509D503-S505 PolarHBondContact O-N 3.32Å; D503-S505 VanDerWaalsContact O-N 3.07Å; S505-R507 PolarHBondContact O-N 3.03Å; S505-N508 PolarHBondContact O-N 2.88Å; S505-N508 PolarHBondContact OG-N 3.5Å; S505-V509 PolarHBondContact O-N 3.27Å
506L86.8Confident74.9Confident3 Ų355.4 Ų55.42%0.01628%0.284CS..Hα-helixtrans-57-35.3172.2-79.4172.3000111.8I424 M471 V474 L475 L478 N508 V509 L510 F677I424-L506 HydrophobicContact CG2-CD1 3.72Å; M471-L506 HydrophobicContact CE-CD1 4.3Å; M471-L506 HydrophobicContact SD-CD1 3.42Å; M471-L506 WeakPolarHBondContact SD-CD1 3.31Å; M471-L506 HydrophobicContact SD-CD2 3.9Å; M471-L506 HydrophobicContact SD-CG 4.32Å; V474-L506 HydrophobicContact CB-CD2 4.3Å; V474-L506 HydrophobicContact CG1-CD2 3.5Å; V474-L506 VanDerWaalsContact CG1-CD2 3.5Å; L475-L506 HydrophobicContact CD1-CD1 4.31Å; L475-L506 HydrophobicContact CD2-CD1 3.68Å; L475-L506 HydrophobicContact CD2-CD2 4Å; L475-L506 HydrophobicContact CD2-CG 3.75Å; L475-L506 HydrophobicContact CG-CD1 4.07Å; L475-L506 HydrophobicContact CG-CD2 4.1Å; L475-L506 HydrophobicContact CG-CG 4.31Å; L478-L506 HydrophobicContact CD1-CD2 3.85Å; L478-L506 HydrophobicContact CD1-CG 4.04Å; L506-N508 VanDerWaalsContact C-N 3.3Å; L506-N508 PolarHBondContact O-N 3.33Å; L506-V509 WeakPolarHBondContact O-CB 3.31Å; L506-V509 PolarHBondContact O-N 3.36Å; L506-L510 VanDerWaalsContact O-CG 3.29Å; L506-L510 WeakPolarHBondContact O-CG 3.43Å; L506-L510 PolarHBondContact O-N 3.32Å; L506-F677 HydrophobicContact CD2-CE1 4.44Å; L506-F677 HydrophobicContact CD2-CZ 4.33Å
507R83.5Confident76.5Confident147 Ų14751.6 Ų51.656%0.55527%0.267SS*.Hα-helixtrans-58.4-43175.6-176.8178.6176.1-175.8-3.2111.7S505 L510 L511S505-R507 PolarHBondContact O-N 3.03Å; R507-L510 PolarHBondContact O-N 2.96Å; R507-L511 HydrophobicContact CG-CD1 4.02Å; R507-L511 VanDerWaalsContact O-CG 3.28Å; R507-L511 WeakPolarHBondContact O-CG 3.39Å; R507-L511 PolarHBondContact O-N 3.13Å
508N83.8Confident78.2Confident47 Ų4743 Ų4325%0.25123%0.227SC..Hα-helixtrans-69.8-36.4178.9-74.7-7000111.8D503 S505 L506 L510 L511 A512 Y516D503-N508 PolarHBondContact O-ND2 3.11Å; S505-N508 PolarHBondContact O-N 2.88Å; S505-N508 PolarHBondContact OG-N 3.5Å; L506-N508 VanDerWaalsContact C-N 3.3Å; L506-N508 PolarHBondContact O-N 3.33Å; N508-L510 VanDerWaalsContact C-N 3.27Å; N508-L510 PolarHBondContact O-N 3.44Å; N508-L511 PolarHBondContact O-N 3.1Å; N508-A512 WeakPolarHBondContact O-CB 3.49Å; N508-A512 PolarHBondContact O-N 2.91Å; N508-Y516 HydrophobicContact CB-CE2 4.05Å
509V86.3Confident79.6Confident2 Ų241.6 Ų41.61%0.01221%0.211CC..Hα-helixtrans-59-40169.5-177.20000111.6V474 L478 S505 L506 L511 Y516 F517 L674V474-V509 HydrophobicContact CG1-CB 4.43Å; V474-V509 HydrophobicContact CG1-CG1 3.94Å; V474-V509 HydrophobicContact CG1-CG2 4.28Å; L478-V509 HydrophobicContact CD1-CG2 3.93Å; L478-V509 HydrophobicContact CD2-CG2 3.75Å; L478-V509 HydrophobicContact CG-CG2 4.04Å; S505-V509 PolarHBondContact O-N 3.27Å; L506-V509 WeakPolarHBondContact O-CB 3.31Å; L506-V509 PolarHBondContact O-N 3.36Å; V509-L511 VanDerWaalsContact C-N 3.34Å; V509-Y516 HydrophobicContact CB-CD1 4.47Å; V509-Y516 HydrophobicContact CG2-CD1 3.63Å; V509-Y516 HydrophobicContact CG2-CE1 3.7Å; V509-Y516 HydrophobicContact CG2-CG 4.18Å; V509-F517 HydrophobicContact CG1-CE2 4.34Å; V509-F517 HydrophobicContact CG2-CZ 4.27Å; V509-L674 HydrophobicContact CG1-CD1 4.15Å
510L82.2Confident80.8Confident21 Ų2141.2 Ų41.211%0.1121%0.208CC..Hα-helixtrans-73.3-23.3179.2-67.9175.6000113.9L425 L506 R507 N508 F677 V678 N681L425-L510 HydrophobicContact CD2-CD1 3.92Å; L506-L510 VanDerWaalsContact O-CG 3.29Å; L506-L510 WeakPolarHBondContact O-CG 3.43Å; L506-L510 PolarHBondContact O-N 3.32Å; R507-L510 PolarHBondContact O-N 2.96Å; N508-L510 VanDerWaalsContact C-N 3.27Å; N508-L510 PolarHBondContact O-N 3.44Å; L510-F677 HydrophobicContact CD2-CD1 4.05Å; L510-F677 HydrophobicContact CD2-CE1 3.7Å; L510-F677 HydrophobicContact CD2-CZ 4.48Å; L510-F677 HydrophobicContact CG-CE1 4.4Å; L510-V678 HydrophobicContact CD2-CB 4.31Å; L510-V678 HydrophobicContact CD2-CG1 4.35Å; L510-V678 HydrophobicContact CD2-CG2 4.18Å; L510-N681 HydrophobicContact CD1-CB 3.9Å; L510-N681 HydrophobicContact CD2-CB 3.72Å; L510-N681 HydrophobicContact CG-CB 4.49Å
511L78Confident82.2Confident78 Ų7836.9 Ų36.941%0.40818%0.18SC..Hα-helixtrans-91.5-29.8178.1-69.7173000112.5R507 N508 V509 L686R507-L511 HydrophobicContact CG-CD1 4.02Å; R507-L511 VanDerWaalsContact O-CG 3.28Å; R507-L511 WeakPolarHBondContact O-CG 3.39Å; R507-L511 PolarHBondContact O-N 3.13Å; N508-L511 PolarHBondContact O-N 3.1Å; V509-L511 VanDerWaalsContact C-N 3.34Å; L511-L686 HydrophobicContact CD2-CD1 3.95Å; L511-L686 HydrophobicContact CD2-CD2 3.84Å; L511-L686 HydrophobicContact CD2-CG 4.42Å
512A72.2Confident83.4Confident29 Ų2930.7 Ų30.724%0.2415%0.153CC..SBendtrans-74.8171.9-179.900000112.5N508 Y516N508-A512 WeakPolarHBondContact O-CB 3.49Å; N508-A512 PolarHBondContact O-N 2.91Å; A512-Y516 HydrophobicContact CB-CD2 3.46Å; A512-Y516 VanDerWaalsContact CB-CD2 3.46Å; A512-Y516 HydrophobicContact CB-CE2 4.43Å; A512-Y516 HydrophobicContact CB-CG 4.09Å
513S67.3Low84.3Confident11 Ų1128.2 Ų28.28%0.07714%0.141CC..  trans-61.6167.8167.265.90000110.2D515 Y516 E519S513-D515 PolarHBondContact O-N 2.95Å; S513-D515 PolarHBondContact OG-N 3.3Å; S513-Y516 PolarHBondContact O-N 3.1Å; S513-E519 PolarHBondContact OG-OE1 2.66Å
514S73.9Confident84.9Confident14 Ų1423.3 Ų23.310%0.09811%0.114CC..THydrogen-bonded Turntrans-640.4167.744.90000114Q557 T691S514-Q557 PolarHBondContact O-NE2 3.38Å; S514-Q557 PolarHBondContact O-OE1 2.96Å; S514-T691 WeakPolarHBondContact OG-CG2 3.34Å
515D81.9Confident85.2Confident2 Ų222.3 Ų22.31%0.01111%0.109CC..THydrogen-bonded Turntrans-101.19.3177.2-72.8-17.7000113.7S513 F517 V518 E519 T691 L692S513-D515 PolarHBondContact O-N 2.95Å; S513-D515 PolarHBondContact OG-N 3.3Å; D515-F517 PolarHBondContact O-N 3.06Å; D515-V518 HydrophobicContact CB-CG1 3.63Å; D515-V518 WeakPolarHBondContact O-CG1 3.43Å; D515-V518 PolarHBondContact O-N 2.99Å; D515-E519 HydrophobicContact CB-CG 3.89Å; D515-E519 WeakPolarHBondContact O-CB 3.24Å; D515-E519 PolarHBondContact O-N 2.99Å; D515-T691 VanDerWaalsContact CG-CB 3.4Å; D515-T691 WeakPolarHBondContact OD1-CB 3.22Å; D515-T691 WeakPolarHBondContact OD1-CG2 3.4Å; D515-T691 VanDerWaalsContact OD2-C 3.27Å; D515-T691 WeakPolarHBondContact OD2-CA 3.43Å; D515-T691 WeakPolarHBondContact OD2-CB 3.28Å; D515-L692 PolarHBondContact OD2-N 2.97Å
516Y88.3Confident85.2Confident9 Ų922.2 Ų22.24%0.03511%0.109CC..Hα-helixtrans-45.2-42.9-174.9178.8-93.5000114.1L478 L481 N508 V509 A512 S513 M520L478-Y516 HydrophobicContact CD2-CE1 3.68Å; L481-Y516 HydrophobicContact CD2-CE1 4.07Å; N508-Y516 HydrophobicContact CB-CE2 4.05Å; V509-Y516 HydrophobicContact CB-CD1 4.47Å; V509-Y516 HydrophobicContact CG2-CD1 3.63Å; V509-Y516 HydrophobicContact CG2-CE1 3.7Å; V509-Y516 HydrophobicContact CG2-CG 4.18Å; A512-Y516 HydrophobicContact CB-CD2 3.46Å; A512-Y516 VanDerWaalsContact CB-CD2 3.46Å; A512-Y516 HydrophobicContact CB-CE2 4.43Å; A512-Y516 HydrophobicContact CB-CG 4.09Å; S513-Y516 PolarHBondContact O-N 3.1Å; Y516-M520 HydrophobicContact CD1-CG 4.44Å; Y516-M520 HydrophobicContact CD2-CG 4.25Å; Y516-M520 HydrophobicContact CE1-CG 4.1Å; Y516-M520 HydrophobicContact CE2-CG 3.93Å; Y516-M520 VanDerWaalsContact O-CB 3.25Å; Y516-M520 WeakPolarHBondContact O-CB 3.34Å; Y516-M520 WeakPolarHBondContact O-CG 3.38Å; Y516-M520 PolarHBondContact O-N 3.31Å
517F92.6Very high85.1Confident0 Ų024.8 Ų24.80%012%0.122CC..Hα-helixtrans-72-41.9-177.3-62.7-78.8000112.6V474 G477 L478 L481 V509 D515 F521 F554 F558 L674V474-F517 HydrophobicContact CG1-CZ 4Å; G477-F517 VanDerWaalsContact C-CE1 3.45Å; L478-F517 HydrophobicContact CD2-CE1 4.08Å; L478-F517 HydrophobicContact CG-CE1 3.96Å; L478-F517 HydrophobicContact CG-CZ 4.26Å; L481-F517 HydrophobicContact CD2-CD1 4.23Å; V509-F517 HydrophobicContact CG1-CE2 4.34Å; V509-F517 HydrophobicContact CG2-CZ 4.27Å; D515-F517 PolarHBondContact O-N 3.06Å; F517-F521 VanDerWaalsContact O-CB 3.23Å; F517-F521 WeakPolarHBondContact O-CB 3.28Å; F517-F521 PolarHBondContact O-N 3.34Å; F517-F554 HydrophobicContact CB-CD2 4.26Å; F517-F554 HydrophobicContact CB-CE2 4.34Å; F517-F554 AromaticContact CD1-CE2 3.88Å; F517-F554 HydrophobicContact CD1-CE2 3.88Å; F517-F554 HydrophobicContact CD1-CZ 4.19Å; F517-F554 HydrophobicContact CD2-CD1 4.16Å; F517-F554 HydrophobicContact CD2-CD2 4.12Å; F517-F554 AromaticContact CD2-CE1 3.76Å; F517-F554 HydrophobicContact CD2-CE1 3.76Å; F517-F554 AromaticContact CD2-CE2 3.72Å; F517-F554 HydrophobicContact CD2-CE2 3.72Å; F517-F554 HydrophobicContact CD2-CG 4.33Å; F517-F554 AromaticContact CD2-CZ 3.54Å; F517-F554 HydrophobicContact CD2-CZ 3.54Å; F517-F554 HydrophobicContact CE1-CE2 4.08Å; F517-F554 HydrophobicContact CE1-CZ 4.01Å; F517-F554 HydrophobicContact CE2-CD1 4.41Å; F517-F554 AromaticContact CE2-CE1 3.58Å; F517-F554 HydrophobicContact CE2-CE1 3.58Å; F517-F554 AromaticContact CE2-CE2 3.93Å; F517-F554 HydrophobicContact CE2-CE2 3.93Å; F517-F554 AromaticContact CE2-CZ 3.3Å; F517-F554 HydrophobicContact CE2-CZ 3.3Å; F517-F554 HydrophobicContact CG-CD2 4.06Å; F517-F554 AromaticContact CG-CE2 3.7Å; F517-F554 HydrophobicContact CG-CE2 3.7Å; F517-F554 AromaticContact CG-CZ 3.98Å; F517-F554 HydrophobicContact CG-CZ 3.98Å; F517-F554 HydrophobicContact CZ-CE1 4.26Å; F517-F554 HydrophobicContact CZ-CE2 4.09Å; F517-F554 AromaticContact CZ-CZ 3.56Å; F517-F554 HydrophobicContact CZ-CZ 3.56Å; F517-F558 HydrophobicContact CB-CE2 3.97Å; F517-F558 HydrophobicContact CB-CZ 4.38Å; F517-L674 HydrophobicContact CE2-CD1 4.43Å; F517-L674 HydrophobicContact CE2-CD2 4.49Å
518V92.4Very high84.9Confident0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-72.6-40.6177.162.20000111.5D515 M520 F521 C522 Q557 F558 L563 N566D515-V518 HydrophobicContact CB-CG1 3.63Å; D515-V518 WeakPolarHBondContact O-CG1 3.43Å; D515-V518 PolarHBondContact O-N 2.99Å; V518-M520 PolarHBondContact O-N 3.49Å; V518-F521 PolarHBondContact O-N 3.45Å; V518-C522 VanDerWaalsContact O-CB 3.25Å; V518-C522 WeakPolarHBondContact O-CB 3.36Å; V518-C522 PolarHBondContact O-N 3.39Å; V518-C522 PolarHBondContact O-SG 3.47Å; V518-Q557 HydrophobicContact CB-CB 4.14Å; V518-Q557 HydrophobicContact CG1-CB 4.03Å; V518-Q557 HydrophobicContact CG1-CG 4.38Å; V518-Q557 WeakPolarHBondContact CG2-O 3.49Å; V518-F558 HydrophobicContact CB-CE2 4.38Å; V518-F558 HydrophobicContact CB-CZ 4.48Å; V518-L563 HydrophobicContact CG2-CD2 3.8Å; V518-L563 HydrophobicContact CG2-CG 4.4Å; V518-N566 HydrophobicContact CG2-CB 4.01Å
519E90.6Very high84.3Confident57 Ų5723.2 Ų23.227%0.26612%0.124SC..Hα-helixtrans-57.6-50.2175.2-77177.5-162.300110.4S513 D515 C522 K523 N566S513-E519 PolarHBondContact OG-OE1 2.66Å; D515-E519 HydrophobicContact CB-CG 3.89Å; D515-E519 WeakPolarHBondContact O-CB 3.24Å; D515-E519 PolarHBondContact O-N 2.99Å; E519-C522 PolarHBondContact O-N 3.42Å; E519-K523 WeakPolarHBondContact O-CB 3.22Å; E519-K523 PolarHBondContact O-N 2.83Å; E519-N566 WeakPolarHBondContact CG-OD1 3.43Å
520M90.4Very high83.6Confident7 Ų723.4 Ų23.43%0.03413%0.125CC..Hα-helixtrans-65.9-43.8178.9-74.9-63.3-74.800112.5L481 E502 M504 Y516 V518 K523 Y524L481-M520 HydrophobicContact CD1-CB 4.15Å; L481-M520 HydrophobicContact CD2-CB 3.67Å; L481-M520 HydrophobicContact CD2-CG 4.24Å; L481-M520 HydrophobicContact CG-CB 4.45Å; E502-M520 HydrophobicContact CB-CE 4.25Å; E502-M520 VanDerWaalsContact OE2-SD 3.41Å; M504-M520 HydrophobicContact CG-CE 4.41Å; Y516-M520 HydrophobicContact CD1-CG 4.44Å; Y516-M520 HydrophobicContact CD2-CG 4.25Å; Y516-M520 HydrophobicContact CE1-CG 4.1Å; Y516-M520 HydrophobicContact CE2-CG 3.93Å; Y516-M520 VanDerWaalsContact O-CB 3.25Å; Y516-M520 WeakPolarHBondContact O-CB 3.34Å; Y516-M520 WeakPolarHBondContact O-CG 3.38Å; Y516-M520 PolarHBondContact O-N 3.31Å; V518-M520 PolarHBondContact O-N 3.49Å; M520-K523 PolarHBondContact O-N 3.28Å; M520-Y524 HydrophobicContact CE-CE2 3.91Å; M520-Y524 VanDerWaalsContact O-CD2 3.3Å; M520-Y524 WeakPolarHBondContact O-CD2 3.25Å; M520-Y524 PolarHBondContact O-N 2.77Å
521F93Very high83.1Confident1 Ų125.2 Ų25.20%0.00414%0.138CC..Hα-helixtrans-59.2-50.6176.3-179.8-93.2000110.9L481 F484 F517 V518 K523 Y524 F525 F547 L550 F558 L563L481-F521 HydrophobicContact CD1-CB 4.35Å; F484-F521 AromaticContact CD1-CD2 3.93Å; F484-F521 HydrophobicContact CD1-CD2 3.93Å; F484-F521 HydrophobicContact CD1-CE2 4.3Å; F484-F521 HydrophobicContact CD2-CE2 4.16Å; F484-F521 AromaticContact CE1-CD2 3.69Å; F484-F521 HydrophobicContact CE1-CD2 3.69Å; F484-F521 AromaticContact CE1-CE2 3.98Å; F484-F521 HydrophobicContact CE1-CE2 3.98Å; F484-F521 HydrophobicContact CE1-CG 4.42Å; F484-F521 HydrophobicContact CE2-CD2 4.41Å; F484-F521 AromaticContact CE2-CE2 3.87Å; F484-F521 HydrophobicContact CE2-CE2 3.87Å; F484-F521 HydrophobicContact CG-CD2 4.36Å; F484-F521 HydrophobicContact CG-CE2 4.37Å; F484-F521 AromaticContact CZ-CD2 3.97Å; F484-F521 HydrophobicContact CZ-CD2 3.97Å; F484-F521 AromaticContact CZ-CE2 3.77Å; F484-F521 HydrophobicContact CZ-CE2 3.77Å; F484-F521 HydrophobicContact CZ-CZ 4.42Å; F517-F521 VanDerWaalsContact O-CB 3.23Å; F517-F521 WeakPolarHBondContact O-CB 3.28Å; F517-F521 PolarHBondContact O-N 3.34Å; V518-F521 PolarHBondContact O-N 3.45Å; F521-K523 VanDerWaalsContact C-N 3.31Å; F521-K523 PolarHBondContact O-N 3.19Å; F521-Y524 PolarHBondContact O-N 2.9Å; F521-F525 HydrophobicContact CD1-CB 4.31Å; F521-F525 HydrophobicContact CE1-CB 4.06Å; F521-F525 HydrophobicContact CE1-CD1 4.2Å; F521-F525 HydrophobicContact CE1-CD2 4.18Å; F521-F525 AromaticContact CE1-CG 3.9Å; F521-F525 HydrophobicContact CE1-CG 3.9Å; F521-F525 HydrophobicContact CZ-CD2 4.02Å; F521-F525 HydrophobicContact CZ-CE2 4.44Å; F521-F525 HydrophobicContact CZ-CG 4.21Å; F521-F525 WeakPolarHBondContact O-CB 3.3Å; F521-F525 PolarHBondContact O-N 2.99Å; F521-F547 AromaticContact CE1-CD2 3.85Å; F521-F547 HydrophobicContact CE1-CD2 3.85Å; F521-F547 HydrophobicContact CE1-CE2 4.42Å; F521-F547 HydrophobicContact CE2-CB 4.28Å; F521-F547 HydrophobicContact CE2-CD2 4.44Å; F521-F547 HydrophobicContact CZ-CB 4.02Å; F521-F547 AromaticContact CZ-CD2 3.71Å; F521-F547 HydrophobicContact CZ-CD2 3.71Å; F521-F547 HydrophobicContact CZ-CG 4.29Å; F521-L550 HydrophobicContact CD2-CD1 3.95Å; F521-F558 HydrophobicContact CB-CE1 4.07Å; F521-F558 HydrophobicContact CB-CZ 4.04Å; F521-F558 AromaticContact CD1-CE1 3.99Å; F521-F558 HydrophobicContact CD1-CE1 3.99Å; F521-F558 HydrophobicContact CD2-CE1 4.37Å; F521-F558 AromaticContact CG-CE1 3.87Å; F521-F558 HydrophobicContact CG-CE1 3.87Å; F521-F558 HydrophobicContact CG-CZ 4.31Å; F521-L563 HydrophobicContact CD1-CD2 4.44Å
522C92.1Very high82.7Confident0 Ų027.1 Ų27.10%015%0.149CC..Hα-helixtrans-65.3-31.6-179.1-69.20000112.9V518 E519 F525 S526 N566 L567 Q570V518-C522 VanDerWaalsContact O-CB 3.25Å; V518-C522 WeakPolarHBondContact O-CB 3.36Å; V518-C522 PolarHBondContact O-N 3.39Å; V518-C522 PolarHBondContact O-SG 3.47Å; E519-C522 PolarHBondContact O-N 3.42Å; C522-F525 PolarHBondContact O-N 3.01Å; C522-S526 VanDerWaalsContact O-CB 3.23Å; C522-S526 WeakPolarHBondContact O-CB 3.14Å; C522-S526 PolarHBondContact O-N 3.49Å; C522-S526 PolarHBondContact O-OG 2.96Å; C522-N566 HydrophobicContact CB-CB 4Å; C522-L567 HydrophobicContact CB-CD2 3.73Å; C522-L567 HydrophobicContact CB-CG 4.18Å; C522-Q570 HydrophobicContact CB-CG 4.26Å
523K89.5Confident82.8Confident33 Ų3331 Ų3114%0.14317%0.165CC..Hα-helixtrans-57.8-49.3174.9-177.5-176.6179.3-1720111.9E502 E519 M520 F521 S526 I527E502-K523 VanDerWaalsContact CD-NZ 3.33Å; E502-K523 IonicContact OE1-NZ 3.38Å; E502-K523 PolarHBondContact OE1-NZ 3.36Å; E519-K523 WeakPolarHBondContact O-CB 3.22Å; E519-K523 PolarHBondContact O-N 2.83Å; M520-K523 PolarHBondContact O-N 3.28Å; F521-K523 VanDerWaalsContact C-N 3.31Å; F521-K523 PolarHBondContact O-N 3.19Å; K523-S526 PolarHBondContact O-OG 3.34Å; K523-S526 VanDerWaalsContact O-OG 3.12Å; K523-I527 WeakPolarHBondContact O-CD1 3.48Å; K523-I527 WeakPolarHBondContact O-CG1 3.1Å
524Y88.8Confident83.3Confident5 Ų530.7 Ų30.72%0.0216%0.163CC..Hα-helixtrans-78.3-36.4177.7-68.5-82.3000112.3V485 W488 V499 M520 F521 S526 I527V485-Y524 HydrophobicContact CG1-CE1 4Å; V485-Y524 HydrophobicContact CG1-CE2 4.2Å; V485-Y524 HydrophobicContact CG2-CD2 3.68Å; V485-Y524 HydrophobicContact CG2-CE2 3.48Å; V485-Y524 VanDerWaalsContact CG2-CE2 3.48Å; V485-Y524 HydrophobicContact CG2-CG 4.3Å; W488-Y524 AromaticContact CD2-CD1 3.7Å; W488-Y524 HydrophobicContact CD2-CD1 3.7Å; W488-Y524 HydrophobicContact CD2-CE1 4.49Å; W488-Y524 HydrophobicContact CD2-CG 4.49Å; W488-Y524 AromaticContact CE2-CD1 4Å; W488-Y524 AromaticContact CE3-CD1 3.57Å; W488-Y524 HydrophobicContact CE3-CD1 3.57Å; W488-Y524 AromaticContact CE3-CE1 3.92Å; W488-Y524 HydrophobicContact CE3-CE1 3.92Å; W488-Y524 HydrophobicContact CG-CD1 4.31Å; W488-Y524 HydrophobicContact CH2-CD1 4.13Å; W488-Y524 HydrophobicContact CH2-CE1 4.49Å; W488-Y524 HydrophobicContact CZ2-CD1 4.22Å; W488-Y524 AromaticContact CZ3-CD1 3.8Å; W488-Y524 HydrophobicContact CZ3-CD1 3.8Å; W488-Y524 AromaticContact CZ3-CE1 3.92Å; W488-Y524 HydrophobicContact CZ3-CE1 3.92Å; W488-Y524 PolarHBondContact NE1-O 3.4Å; V499-Y524 HydrophobicContact CG1-CE1 3.98Å; M520-Y524 HydrophobicContact CE-CE2 3.91Å; M520-Y524 VanDerWaalsContact O-CD2 3.3Å; M520-Y524 WeakPolarHBondContact O-CD2 3.25Å; M520-Y524 PolarHBondContact O-N 2.77Å; F521-Y524 PolarHBondContact O-N 2.9Å; Y524-S526 PolarHBondContact O-N 3.38Å; Y524-I527 PolarHBondContact O-N 2.97Å
525F89.2Confident83.3Confident1 Ų133.5 Ų33.50%0.00418%0.176CC..Hα-helixtrans-65.3-39.6-178.2-164.5-115.4000112.5F521 C522 I527 M528 P530 F534 W543 L567F521-F525 HydrophobicContact CD1-CB 4.31Å; F521-F525 HydrophobicContact CE1-CB 4.06Å; F521-F525 HydrophobicContact CE1-CD1 4.2Å; F521-F525 HydrophobicContact CE1-CD2 4.18Å; F521-F525 AromaticContact CE1-CG 3.9Å; F521-F525 HydrophobicContact CE1-CG 3.9Å; F521-F525 HydrophobicContact CZ-CD2 4.02Å; F521-F525 HydrophobicContact CZ-CE2 4.44Å; F521-F525 HydrophobicContact CZ-CG 4.21Å; F521-F525 WeakPolarHBondContact O-CB 3.3Å; F521-F525 PolarHBondContact O-N 2.99Å; C522-F525 PolarHBondContact O-N 3.01Å; F525-I527 PolarHBondContact O-N 3.29Å; F525-M528 HydrophobicContact CD2-CE 3.63Å; F525-M528 HydrophobicContact CE2-CE 3.71Å; F525-M528 PolarHBondContact O-N 2.82Å; F525-P530 HydrophobicContact CD1-CB 3.77Å; F525-P530 HydrophobicContact CD1-CG 3.96Å; F525-P530 HydrophobicContact CE1-CB 3.22Å; F525-P530 HydrophobicContact CE1-CG 3.83Å; F525-P530 HydrophobicContact CE2-CB 4.16Å; F525-P530 HydrophobicContact CG-CB 4.46Å; F525-P530 HydrophobicContact CZ-CB 3.45Å; F525-P530 VanDerWaalsContact CZ-CB 3.45Å; F525-P530 HydrophobicContact CZ-CG 4.49Å; F525-F534 HydrophobicContact CE1-CB 4.32Å; F525-F534 HydrophobicContact CE1-CD1 4.32Å; F525-F534 AromaticContact CE1-CD2 3.74Å; F525-F534 HydrophobicContact CE1-CD2 3.74Å; F525-F534 HydrophobicContact CE1-CE2 4.09Å; F525-F534 AromaticContact CE1-CG 3.87Å; F525-F534 HydrophobicContact CE1-CG 3.87Å; F525-F534 HydrophobicContact CZ-CB 4.1Å; F525-F534 HydrophobicContact CZ-CD2 4.03Å; F525-F534 HydrophobicContact CZ-CG 4.11Å; F525-W543 AromaticContact CE2-CD2 3.59Å; F525-W543 HydrophobicContact CE2-CD2 3.59Å; F525-W543 AromaticContact CE2-CE2 3.64Å; F525-W543 AromaticContact CE2-CE3 3.96Å; F525-W543 HydrophobicContact CE2-CE3 3.96Å; F525-W543 AromaticContact CE2-CG 3.96Å; F525-W543 HydrophobicContact CE2-CG 3.96Å; F525-W543 HydrophobicContact CE2-CH2 4.43Å; F525-W543 HydrophobicContact CE2-CZ2 4.08Å; F525-W543 HydrophobicContact CE2-CZ3 4.37Å; F525-W543 AromaticContact CE2-NE1 3.95Å; F525-W543 HydrophobicContact CZ-CD2 4.24Å; F525-W543 HydrophobicContact CZ-CE3 4.33Å; F525-W543 HydrophobicContact CZ-CH2 4.11Å; F525-W543 AromaticContact CZ-CZ2 3.96Å; F525-W543 HydrophobicContact CZ-CZ2 3.96Å; F525-W543 HydrophobicContact CZ-CZ3 4.28Å; F525-L567 HydrophobicContact CB-CD2 4.37Å; F525-L567 HydrophobicContact CD1-CD1 4.25Å; F525-L567 HydrophobicContact CD1-CD2 3.83Å
526S86.2Confident82.9Confident0 Ų040.7 Ų40.70%021%0.21CC..G310 helixtrans-64.8-21.3177.853.60000114.1C522 K523 Y524 M528 Q574C522-S526 VanDerWaalsContact O-CB 3.23Å; C522-S526 WeakPolarHBondContact O-CB 3.14Å; C522-S526 PolarHBondContact O-N 3.49Å; C522-S526 PolarHBondContact O-OG 2.96Å; K523-S526 PolarHBondContact O-OG 3.34Å; K523-S526 VanDerWaalsContact O-OG 3.12Å; Y524-S526 PolarHBondContact O-N 3.38Å; S526-M528 VanDerWaalsContact C-N 3.34Å; S526-Q574 PolarHBondContact OG-NE2 2.91Å
527I84.1Confident82.1Confident56 Ų5641.8 Ų41.829%0.28722%0.217SC..G310 helixtrans-79.4-20.4178.7-60.3169.7000111.6W488 V499 K523 Y524 F525 D529W488-I527 HydrophobicContact CZ2-CB 4.18Å; W488-I527 HydrophobicContact CZ2-CD1 4.27Å; W488-I527 HydrophobicContact CZ2-CG2 3.87Å; V499-I527 HydrophobicContact CG2-CD1 3.43Å; V499-I527 VanDerWaalsContact CG2-CD1 3.43Å; K523-I527 WeakPolarHBondContact O-CD1 3.48Å; K523-I527 WeakPolarHBondContact O-CG1 3.1Å; Y524-I527 PolarHBondContact O-N 2.97Å; F525-I527 PolarHBondContact O-N 3.29Å; I527-D529 VanDerWaalsContact C-N 3.3Å; I527-D529 PolarHBondContact O-N 3.36Å
528M80.2Confident81Confident45 Ų4549 Ų4922%0.22226%0.256CS..G310 helixtrans-84.62.1-176.7-53.6-169.4-3100114.5W488 F525 S526 W542 W543W488-M528 VanDerWaalsContact NE1-CG 3.31Å; F525-M528 HydrophobicContact CD2-CE 3.63Å; F525-M528 HydrophobicContact CE2-CE 3.71Å; F525-M528 PolarHBondContact O-N 2.82Å; S526-M528 VanDerWaalsContact C-N 3.34Å; M528-W542 HydrophobicContact CE-CZ2 4.11Å; M528-W542 HydrophobicContact SD-CH2 3.89Å; M528-W542 HydrophobicContact SD-CZ2 3.34Å; M528-W542 WeakPolarHBondContact SD-CZ2 3.42Å; M528-W543 HydrophobicContact CE-CG 4.29Å
529D72.1Confident80.1Confident117 Ų11750 Ų5063%0.62627%0.266SS*.  trans48.871.4-166.3-73.2-27.1000112.1I527I527-D529 VanDerWaalsContact C-N 3.3Å; I527-D529 PolarHBondContact O-N 3.36Å
530P71.4Confident79.6Confident6 Ų654.6 Ų54.64%0.03929%0.293CS..  trans-65.3147.6-172.529.2-34.9000111.4F525 N532 Y591F525-P530 HydrophobicContact CD1-CB 3.77Å; F525-P530 HydrophobicContact CD1-CG 3.96Å; F525-P530 HydrophobicContact CE1-CB 3.22Å; F525-P530 HydrophobicContact CE1-CG 3.83Å; F525-P530 HydrophobicContact CE2-CB 4.16Å; F525-P530 HydrophobicContact CG-CB 4.46Å; F525-P530 HydrophobicContact CZ-CB 3.45Å; F525-P530 VanDerWaalsContact CZ-CB 3.45Å; F525-P530 HydrophobicContact CZ-CG 4.49Å; P530-N532 PolarHBondContact O-N 3Å; P530-Y591 WeakPolarHBondContact CG-OH 3.21Å
531P72.1Confident79.3Confident58 Ų5858.2 Ų58.238%0.37731%0.309SS..  trans-61.1141-177.223.2-31.3000111N533 F534 T537P531-N533 PolarHBondContact O-N 2.99Å; P531-F534 HydrophobicContact CG-CB 3.92Å; P531-F534 WeakPolarHBondContact O-CB 3.23Å; P531-F534 PolarHBondContact O-N 3.43Å; P531-T537 HydrophobicContact CG-CG2 4.4Å
532N68.2Low79Confident119 Ų11961.3 Ų61.364%0.63632%0.321SS*.THydrogen-bonded Turntrans-51.3-30.8-176.6-68.5-9.7000113.6P530P530-N532 PolarHBondContact O-N 3Å
533N73.8Confident78.9Confident110 Ų11061.5 Ų61.559%0.58832%0.322SS*.THydrogen-bonded Turntrans-109.737.3178.1-65.4-22.9000112.7P531 L535 Q536P531-N533 PolarHBondContact O-N 2.99Å; N533-L535 PolarHBondContact O-N 3.22Å; N533-L535 VanDerWaalsContact O-N 3.07Å; N533-Q536 PolarHBondContact O-N 3.36Å
534F78.5Confident78.9Confident5 Ų563.7 Ų63.72%0.02233%0.33CS..G310 helixtrans-56.8-26.3-178.674.8-88.2000113.5F525 P531 Q536 T537 W543 L564 L567 Y591F525-F534 HydrophobicContact CE1-CB 4.32Å; F525-F534 HydrophobicContact CE1-CD1 4.32Å; F525-F534 AromaticContact CE1-CD2 3.74Å; F525-F534 HydrophobicContact CE1-CD2 3.74Å; F525-F534 HydrophobicContact CE1-CE2 4.09Å; F525-F534 AromaticContact CE1-CG 3.87Å; F525-F534 HydrophobicContact CE1-CG 3.87Å; F525-F534 HydrophobicContact CZ-CB 4.1Å; F525-F534 HydrophobicContact CZ-CD2 4.03Å; F525-F534 HydrophobicContact CZ-CG 4.11Å; P531-F534 HydrophobicContact CG-CB 3.92Å; P531-F534 WeakPolarHBondContact O-CB 3.23Å; P531-F534 PolarHBondContact O-N 3.43Å; F534-Q536 PolarHBondContact O-N 3.26Å; F534-T537 WeakPolarHBondContact O-CG2 3.29Å; F534-T537 PolarHBondContact O-OG1 2.9Å; F534-W543 HydrophobicContact CB-CH2 4.14Å; F534-W543 HydrophobicContact CB-CZ2 4.41Å; F534-L564 HydrophobicContact CE1-CD2 4.28Å; F534-L564 HydrophobicContact CZ-CD2 4.28Å; F534-L567 HydrophobicContact CE1-CD1 3.72Å; F534-L567 HydrophobicContact CE2-CD1 4.19Å; F534-L567 HydrophobicContact CZ-CD1 3.38Å; F534-Y591 HydrophobicContact CE1-CE1 4.25Å
535L74.1Confident78.9Confident73 Ų7367.2 Ų67.238%0.38235%0.353SS..G310 helixtrans-70.3-16175.5-66.9175000113.8N533 F547 L563 L564N533-L535 PolarHBondContact O-N 3.22Å; N533-L535 VanDerWaalsContact O-N 3.07Å; L535-F547 HydrophobicContact CD2-CZ 4.41Å; L535-L563 HydrophobicContact CD2-CD1 4.39Å; L535-L564 HydrophobicContact CD1-CD1 4.4Å; L535-L564 HydrophobicContact CD1-CD2 4.44Å; L535-L564 HydrophobicContact CD1-CG 4.5Å
536Q73.6Confident79Confident153 Ų15368 Ų6872%0.71536%0.36SS*.G310 helixtrans-113.210.9-177.1-62.2-178.6000113.2N533 F534N533-Q536 PolarHBondContact O-N 3.36Å; F534-Q536 PolarHBondContact O-N 3.26Å
537T71.6Confident79.2Confident31 Ų3168.4 Ų68.419%0.1936%0.362CS..  trans-66.4144.7-175.453.40000113P531 F534 G539 W543P531-T537 HydrophobicContact CG-CG2 4.4Å; F534-T537 WeakPolarHBondContact O-CG2 3.29Å; F534-T537 PolarHBondContact O-OG1 2.9Å; T537-G539 PolarHBondContact O-N 2.86Å; T537-W543 HydrophobicContact CG2-CH2 4.23Å; T537-W543 HydrophobicContact CG2-CZ2 4.36Å
538D68.5Low79.5Confident152 Ų15267.7 Ų67.781%0.81336%0.36SS*.  trans-68.7-0.9-179.9-63.6-34.2000115
539G74.8Confident80Confident22 Ų2267.8 Ų67.823%0.22737%0.365CS..SBendtrans86.411.217600000116.3T537 E541 Y544T537-G539 PolarHBondContact O-N 2.86Å; G539-E541 VanDerWaalsContact C-N 3.26Å; G539-E541 PolarHBondContact O-N 3.43Å; G539-Y544 VanDerWaalsContact CA-CE1 3.49Å; G539-Y544 VanDerWaalsContact CA-CG 3.45Å
540N79.4Confident81.1Confident152 Ų15262.2 Ų62.281%0.81334%0.335SS*.  trans-76.9-11177-66.3-29.7000113.8
541E85Confident82.1Confident83 Ų8366.1 Ų66.139%0.38835%0.352SS..SBendtrans-76.7141.6-177.1-65.7-65.3157.400112G539 W543 Y544 P545G539-E541 VanDerWaalsContact C-N 3.26Å; G539-E541 PolarHBondContact O-N 3.43Å; E541-W543 HydrophobicContact CB-CD2 4.02Å; E541-W543 VanDerWaalsContact CB-CE2 3.47Å; E541-W543 HydrophobicContact CB-CG 4.27Å; E541-W543 HydrophobicContact CB-CZ2 3.8Å; E541-W543 HydrophobicContact CG-CZ2 3.72Å; E541-W543 PolarHBondContact O-N 3.45Å; E541-W543 VanDerWaalsContact O-N 3.16Å; E541-Y544 VanDerWaalsContact O-CB 3.24Å; E541-Y544 WeakPolarHBondContact O-CB 3.17Å; E541-Y544 PolarHBondContact O-N 2.86Å; E541-P545 WeakPolarHBondContact O-CD 3.48Å
542W86.8Confident83Confident66 Ų6670.5 Ų70.525%0.2537%0.367CS..THydrogen-bonded Turntrans-63-26.2-176.565.8-95.9000113.6F484 M487 W488 Q491 M528 P545F484-W542 HydrophobicContact CD2-CH2 4.12Å; F484-W542 AromaticContact CD2-CZ3 3.73Å; F484-W542 HydrophobicContact CD2-CZ3 3.73Å; F484-W542 AromaticContact CE2-CH2 3.78Å; F484-W542 HydrophobicContact CE2-CH2 3.78Å; F484-W542 AromaticContact CE2-CZ3 3.84Å; F484-W542 HydrophobicContact CE2-CZ3 3.84Å; M487-W542 HydrophobicContact CB-CE3 3.87Å; M487-W542 HydrophobicContact CB-CZ3 3.69Å; M487-W542 HydrophobicContact CE-CB 4.11Å; M487-W542 HydrophobicContact CE-CE3 3.96Å; M487-W542 HydrophobicContact SD-CE3 4.44Å; W488-W542 HydrophobicContact CB-CH2 3.73Å; W488-W542 HydrophobicContact CB-CZ3 4.46Å; W488-W542 HydrophobicContact CG-CH2 4.35Å; Q491-W542 HydrophobicContact CG-CZ2 4.42Å; M528-W542 HydrophobicContact CE-CZ2 4.11Å; M528-W542 HydrophobicContact SD-CH2 3.89Å; M528-W542 HydrophobicContact SD-CZ2 3.34Å; M528-W542 WeakPolarHBondContact SD-CZ2 3.42Å; W542-P545 WeakPolarHBondContact O-CD 3.34Å
543W88.7Confident84.1Confident4 Ų466.6 Ų66.62%0.01535%0.346CS..THydrogen-bonded Turntrans-83.5-16.3178.354-99.9000113F484 F525 M528 F534 T537 E541 A546 F547F484-W543 HydrophobicContact CD2-CB 4.11Å; F484-W543 HydrophobicContact CE2-CB 3.7Å; F525-W543 AromaticContact CE2-CD2 3.59Å; F525-W543 HydrophobicContact CE2-CD2 3.59Å; F525-W543 AromaticContact CE2-CE2 3.64Å; F525-W543 AromaticContact CE2-CE3 3.96Å; F525-W543 HydrophobicContact CE2-CE3 3.96Å; F525-W543 AromaticContact CE2-CG 3.96Å; F525-W543 HydrophobicContact CE2-CG 3.96Å; F525-W543 HydrophobicContact CE2-CH2 4.43Å; F525-W543 HydrophobicContact CE2-CZ2 4.08Å; F525-W543 HydrophobicContact CE2-CZ3 4.37Å; F525-W543 AromaticContact CE2-NE1 3.95Å; F525-W543 HydrophobicContact CZ-CD2 4.24Å; F525-W543 HydrophobicContact CZ-CE3 4.33Å; F525-W543 HydrophobicContact CZ-CH2 4.11Å; F525-W543 AromaticContact CZ-CZ2 3.96Å; F525-W543 HydrophobicContact CZ-CZ2 3.96Å; F525-W543 HydrophobicContact CZ-CZ3 4.28Å; M528-W543 HydrophobicContact CE-CG 4.29Å; F534-W543 HydrophobicContact CB-CH2 4.14Å; F534-W543 HydrophobicContact CB-CZ2 4.41Å; T537-W543 HydrophobicContact CG2-CH2 4.23Å; T537-W543 HydrophobicContact CG2-CZ2 4.36Å; E541-W543 HydrophobicContact CB-CD2 4.02Å; E541-W543 VanDerWaalsContact CB-CE2 3.47Å; E541-W543 HydrophobicContact CB-CG 4.27Å; E541-W543 HydrophobicContact CB-CZ2 3.8Å; E541-W543 HydrophobicContact CG-CZ2 3.72Å; E541-W543 PolarHBondContact O-N 3.45Å; E541-W543 VanDerWaalsContact O-N 3.16Å; W543-A546 PolarHBondContact O-N 2.89Å; W543-F547 HydrophobicContact CE3-CB 4.01Å; W543-F547 HydrophobicContact CE3-CG 4.49Å; W543-F547 HydrophobicContact CZ3-CB 4.25Å; W543-F547 HydrophobicContact CZ3-CD1 4.31Å; W543-F547 HydrophobicContact CZ3-CG 4.29Å; W543-F547 PolarHBondContact O-N 3.1Å
544Y89.5Confident85.1Confident79 Ų7961.3 Ų61.331%0.3132%0.318SS..Hα-helixtrans-62.6-39-173.4-173.1-98.1000114.4G539 E541 A546 F547 T548G539-Y544 VanDerWaalsContact CA-CE1 3.49Å; G539-Y544 VanDerWaalsContact CA-CG 3.45Å; E541-Y544 VanDerWaalsContact O-CB 3.24Å; E541-Y544 WeakPolarHBondContact O-CB 3.17Å; E541-Y544 PolarHBondContact O-N 2.86Å; Y544-A546 PolarHBondContact O-N 3.4Å; Y544-F547 PolarHBondContact O-N 3.41Å; Y544-T548 WeakPolarHBondContact O-CB 3.44Å; Y544-T548 PolarHBondContact O-N 3.35Å; Y544-T548 PolarHBondContact O-OG1 3.04Å
545P89.3Confident85.7Confident79 Ų7964.1 Ų64.151%0.51334%0.336SS..Hα-helixtrans-59.7-46.6174.3-25.335.7000112.4E541 W542 T548 S549E541-P545 WeakPolarHBondContact O-CD 3.48Å; W542-P545 WeakPolarHBondContact O-CD 3.34Å; P545-T548 PolarHBondContact O-N 2.92Å; P545-S549 PolarHBondContact O-N 3.39Å; P545-S549 PolarHBondContact O-OG 2.88Å; P545-S549 VanDerWaalsContact O-OG 3.13Å
546A90.3Very high86.4Confident17 Ų1764.7 Ų64.714%0.1434%0.336CS..Hα-helixtrans-64.6-44.2179.200000111.6I480 F484 W543 Y544 T548 S549 L550I480-A546 HydrophobicContact CG2-CB 3.91Å; F484-A546 HydrophobicContact CB-CB 3.93Å; F484-A546 HydrophobicContact CD2-CB 4.41Å; W543-A546 PolarHBondContact O-N 2.89Å; Y544-A546 PolarHBondContact O-N 3.4Å; A546-T548 VanDerWaalsContact C-N 3.34Å; A546-T548 PolarHBondContact O-N 2.98Å; A546-S549 PolarHBondContact O-N 2.82Å; A546-L550 WeakPolarHBondContact O-CB 3.49Å; A546-L550 WeakPolarHBondContact O-CG 3.25Å; A546-L550 PolarHBondContact O-N 3.14Å
547F91.5Very high87.2Confident10 Ų1057.8 Ų57.84%0.04430%0.303CS..Hα-helixtrans-56.9-47174.6175.1-108.1000111.9F521 L535 W543 Y544 L550 K551 F558 L563F521-F547 AromaticContact CE1-CD2 3.85Å; F521-F547 HydrophobicContact CE1-CD2 3.85Å; F521-F547 HydrophobicContact CE1-CE2 4.42Å; F521-F547 HydrophobicContact CE2-CB 4.28Å; F521-F547 HydrophobicContact CE2-CD2 4.44Å; F521-F547 HydrophobicContact CZ-CB 4.02Å; F521-F547 AromaticContact CZ-CD2 3.71Å; F521-F547 HydrophobicContact CZ-CD2 3.71Å; F521-F547 HydrophobicContact CZ-CG 4.29Å; L535-F547 HydrophobicContact CD2-CZ 4.41Å; W543-F547 HydrophobicContact CE3-CB 4.01Å; W543-F547 HydrophobicContact CE3-CG 4.49Å; W543-F547 HydrophobicContact CZ3-CB 4.25Å; W543-F547 HydrophobicContact CZ3-CD1 4.31Å; W543-F547 HydrophobicContact CZ3-CG 4.29Å; W543-F547 PolarHBondContact O-N 3.1Å; Y544-F547 PolarHBondContact O-N 3.41Å; F547-L550 PolarHBondContact O-N 3.15Å; F547-K551 HydrophobicContact CE1-CD 4.33Å; F547-K551 HydrophobicContact CZ-CD 4.32Å; F547-K551 VanDerWaalsContact O-CB 3.28Å; F547-K551 WeakPolarHBondContact O-CB 3.26Å; F547-K551 PolarHBondContact O-N 2.88Å; F547-F558 HydrophobicContact CD2-CD1 4.06Å; F547-F558 HydrophobicContact CD2-CE1 4.38Å; F547-F558 AromaticContact CE2-CD1 3.95Å; F547-F558 HydrophobicContact CE2-CD1 3.95Å; F547-L563 HydrophobicContact CE2-CD1 3.59Å; F547-L563 HydrophobicContact CE2-CD2 4.13Å; F547-L563 HydrophobicContact CZ-CD1 3.79Å
548T90.7Very high88.1Confident41 Ų4156.3 Ų56.325%0.25229%0.294SS..Hα-helixtrans-64-43.9179.7-58.90000111.5Y544 P545 A546 K551 Q552Y544-T548 WeakPolarHBondContact O-CB 3.44Å; Y544-T548 PolarHBondContact O-N 3.35Å; Y544-T548 PolarHBondContact O-OG1 3.04Å; P545-T548 PolarHBondContact O-N 2.92Å; A546-T548 VanDerWaalsContact C-N 3.34Å; A546-T548 PolarHBondContact O-N 2.98Å; T548-K551 PolarHBondContact O-N 2.92Å; T548-Q552 WeakPolarHBondContact O-CG 3.36Å; T548-Q552 PolarHBondContact O-N 2.71Å
549S91.1Very high89.2Confident46 Ų4650.9 Ų50.932%0.32227%0.269SS..Hα-helixtrans-66-40.8177.5-60.20000112.6P545 A546 Q552 L553P545-S549 PolarHBondContact O-N 3.39Å; P545-S549 PolarHBondContact O-OG 2.88Å; P545-S549 VanDerWaalsContact O-OG 3.13Å; A546-S549 PolarHBondContact O-N 2.82Å; S549-Q552 PolarHBondContact O-N 2.91Å; S549-L553 WeakPolarHBondContact O-CG 3.33Å; S549-L553 PolarHBondContact O-N 3.18Å; S549-L553 VanDerWaalsContact O-N 3.1Å
550L93.8Very high90Very high0 Ų052.8 Ų52.80%028%0.278CS..Hα-helixtrans-65-41.3174.7-73.2171.1000111.6I480 L481 F521 A546 F547 Q552 L553 F554 F558I480-L550 HydrophobicContact CB-CD2 4.18Å; I480-L550 HydrophobicContact CB-CG 4.39Å; I480-L550 HydrophobicContact CG2-CD1 4.3Å; I480-L550 HydrophobicContact CG2-CD2 4.1Å; I480-L550 HydrophobicContact CG2-CG 3.75Å; L481-L550 HydrophobicContact CD1-CD1 4.46Å; F521-L550 HydrophobicContact CD2-CD1 3.95Å; A546-L550 WeakPolarHBondContact O-CB 3.49Å; A546-L550 WeakPolarHBondContact O-CG 3.25Å; A546-L550 PolarHBondContact O-N 3.14Å; F547-L550 PolarHBondContact O-N 3.15Å; L550-Q552 VanDerWaalsContact C-N 3.31Å; L550-Q552 PolarHBondContact O-N 3.44Å; L550-L553 PolarHBondContact O-N 3.25Å; L550-L553 VanDerWaalsContact O-N 3.14Å; L550-F554 HydrophobicContact CD2-CD2 4.3Å; L550-F554 HydrophobicContact CD2-CE2 4.16Å; L550-F554 PolarHBondContact O-N 3.12Å; L550-F558 HydrophobicContact CB-CD1 4.3Å; L550-F558 HydrophobicContact CB-CD2 4.29Å; L550-F558 HydrophobicContact CB-CE1 3.83Å; L550-F558 HydrophobicContact CB-CE2 3.82Å; L550-F558 HydrophobicContact CB-CZ 3.58Å; L550-F558 HydrophobicContact CD1-CE1 4.12Å; L550-F558 HydrophobicContact CD1-CZ 3.77Å; L550-F558 HydrophobicContact CG-CZ 4.16Å
551K92.9Very high90.5Very high89 Ų8946.9 Ų46.939%0.38725%0.247SC..Hα-helixtrans-63.6-34.5175.8-172.2174.7-175.2177.10113.1F547 T548 P555 F558F547-K551 HydrophobicContact CE1-CD 4.33Å; F547-K551 HydrophobicContact CZ-CD 4.32Å; F547-K551 VanDerWaalsContact O-CB 3.28Å; F547-K551 WeakPolarHBondContact O-CB 3.26Å; F547-K551 PolarHBondContact O-N 2.88Å; T548-K551 PolarHBondContact O-N 2.92Å; K551-P555 VanDerWaalsContact O-CA 3.28Å; K551-P555 WeakPolarHBondContact O-CA 3.41Å; K551-F558 HydrophobicContact CB-CB 3.91Å; K551-F558 HydrophobicContact CB-CG 4.44Å; K551-F558 HydrophobicContact CG-CB 3.94Å
552Q91.9Very high90.8Very high150 Ų15043 Ų4370%0.70123%0.229SC*.Hα-helixtrans-70.1-33.8173.4-74175.22.400112.7T548 S549 L550T548-Q552 WeakPolarHBondContact O-CG 3.36Å; T548-Q552 PolarHBondContact O-N 2.71Å; S549-Q552 PolarHBondContact O-N 2.91Å; L550-Q552 VanDerWaalsContact C-N 3.31Å; L550-Q552 PolarHBondContact O-N 3.44Å
553L91.4Very high91.1Very high36 Ų3640 Ų4019%0.18822%0.217CC..Hα-helixtrans-81-36179.5-72.8174.5000113.5R476 I480 S549 L550R476-L553 HydrophobicContact CB-CD1 4.03Å; I480-L553 HydrophobicContact CD1-CD1 3.43Å; I480-L553 VanDerWaalsContact CD1-CD1 3.43Å; S549-L553 WeakPolarHBondContact O-CG 3.33Å; S549-L553 PolarHBondContact O-N 3.18Å; S549-L553 VanDerWaalsContact O-N 3.1Å; L550-L553 PolarHBondContact O-N 3.25Å; L550-L553 VanDerWaalsContact O-N 3.14Å
554F92.9Very high91.2Very high0 Ų040.3 Ų40.30%022%0.219CC..  trans-131.864.6-175.4-48.3-76.6000111F517 L550 F556 Q557 F558 E671 F673F517-F554 HydrophobicContact CB-CD2 4.26Å; F517-F554 HydrophobicContact CB-CE2 4.34Å; F517-F554 AromaticContact CD1-CE2 3.88Å; F517-F554 HydrophobicContact CD1-CE2 3.88Å; F517-F554 HydrophobicContact CD1-CZ 4.19Å; F517-F554 HydrophobicContact CD2-CD1 4.16Å; F517-F554 HydrophobicContact CD2-CD2 4.12Å; F517-F554 AromaticContact CD2-CE1 3.76Å; F517-F554 HydrophobicContact CD2-CE1 3.76Å; F517-F554 AromaticContact CD2-CE2 3.72Å; F517-F554 HydrophobicContact CD2-CE2 3.72Å; F517-F554 HydrophobicContact CD2-CG 4.33Å; F517-F554 AromaticContact CD2-CZ 3.54Å; F517-F554 HydrophobicContact CD2-CZ 3.54Å; F517-F554 HydrophobicContact CE1-CE2 4.08Å; F517-F554 HydrophobicContact CE1-CZ 4.01Å; F517-F554 HydrophobicContact CE2-CD1 4.41Å; F517-F554 AromaticContact CE2-CE1 3.58Å; F517-F554 HydrophobicContact CE2-CE1 3.58Å; F517-F554 AromaticContact CE2-CE2 3.93Å; F517-F554 HydrophobicContact CE2-CE2 3.93Å; F517-F554 AromaticContact CE2-CZ 3.3Å; F517-F554 HydrophobicContact CE2-CZ 3.3Å; F517-F554 HydrophobicContact CG-CD2 4.06Å; F517-F554 AromaticContact CG-CE2 3.7Å; F517-F554 HydrophobicContact CG-CE2 3.7Å; F517-F554 AromaticContact CG-CZ 3.98Å; F517-F554 HydrophobicContact CG-CZ 3.98Å; F517-F554 HydrophobicContact CZ-CE1 4.26Å; F517-F554 HydrophobicContact CZ-CE2 4.09Å; F517-F554 AromaticContact CZ-CZ 3.56Å; F517-F554 HydrophobicContact CZ-CZ 3.56Å; L550-F554 HydrophobicContact CD2-CD2 4.3Å; L550-F554 HydrophobicContact CD2-CE2 4.16Å; L550-F554 PolarHBondContact O-N 3.12Å; F554-F556 PolarHBondContact O-N 2.9Å; F554-F556 VanDerWaalsContact O-N 3.17Å; F554-Q557 HydrophobicContact CB-CB 4.04Å; F554-Q557 HydrophobicContact CB-CG 4.46Å; F554-Q557 PolarHBondContact O-N 3.47Å; F554-F558 HydrophobicContact CB-CD2 3.98Å; F554-F558 HydrophobicContact CB-CE2 4.33Å; F554-F558 HydrophobicContact CD2-CE2 4.39Å; F554-F558 WeakPolarHBondContact O-CD2 3.37Å; F554-F558 PolarHBondContact O-N 3.17Å; F554-E671 WeakPolarHBondContact CA-OE1 3.28Å; F554-E671 HydrophobicContact CB-CG 4.45Å; F554-E671 HydrophobicContact CD1-CG 4.37Å; F554-F673 HydrophobicContact CD1-CE1 4.46Å; F554-F673 AromaticContact CD1-CZ 3.76Å; F554-F673 HydrophobicContact CD1-CZ 3.76Å; F554-F673 HydrophobicContact CE1-CE2 4.14Å; F554-F673 AromaticContact CE1-CZ 3.6Å; F554-F673 HydrophobicContact CE1-CZ 3.6Å
555P91.2Very high91.4Very high63 Ų6336.6 Ų36.641%0.40921%0.205SC..THydrogen-bonded Turntrans-56.4-30.9-175.523.4-36000114.7K551 F558 S559 E671K551-P555 VanDerWaalsContact O-CA 3.28Å; K551-P555 WeakPolarHBondContact O-CA 3.41Å; P555-F558 CarbonylContact O-C 3.54Å; P555-S559 PolarHBondContact O-N 2.71Å; P555-S559 VanDerWaalsContact O-N 3.15Å; P555-E671 WeakPolarHBondContact CD-OE1 3.33Å; P555-E671 WeakPolarHBondContact CG-OE1 3.46Å
556F89.5Confident91.6Very high86 Ų8632.9 Ų32.938%0.37718%0.181SC..THydrogen-bonded Turntrans-80.2-40.4-179.8-59.8-55.2000112.4F554 F558 S559 P669 E671F554-F556 PolarHBondContact O-N 2.9Å; F554-F556 VanDerWaalsContact O-N 3.17Å; F556-F558 VanDerWaalsContact C-N 3.31Å; F556-F558 PolarHBondContact O-N 3.07Å; F556-S559 VanDerWaalsContact O-CB 3.28Å; F556-S559 WeakPolarHBondContact O-CB 3.28Å; F556-S559 PolarHBondContact O-N 2.92Å; F556-S559 PolarHBondContact O-OG 3.37Å; F556-P669 HydrophobicContact CD1-CB 3.55Å; F556-P669 HydrophobicContact CD1-CG 3.45Å; F556-P669 VanDerWaalsContact CD1-CG 3.45Å; F556-P669 HydrophobicContact CD2-CB 4.33Å; F556-P669 HydrophobicContact CE1-CB 3.43Å; F556-P669 VanDerWaalsContact CE1-CB 3.43Å; F556-P669 HydrophobicContact CE1-CG 3.6Å; F556-P669 HydrophobicContact CE2-CB 4.22Å; F556-P669 HydrophobicContact CG-CB 4.02Å; F556-P669 HydrophobicContact CG-CG 4.21Å; F556-P669 HydrophobicContact CZ-CB 3.79Å; F556-P669 HydrophobicContact CZ-CG 4.45Å; F556-E671 HydrophobicContact CB-CG 4.49Å; F556-E671 WeakPolarHBondContact CB-OE1 3.19Å; F556-E671 HydrophobicContact CD2-CG 4.35Å; F556-E671 WeakPolarHBondContact CD2-OE1 3.32Å; F556-E671 PolarHBondContact N-OE1 3.47Å
557Q90.2Very high91.7Very high7 Ų732.1 Ų32.13%0.03317%0.174CC..THydrogen-bonded Turntrans-65.4-36.7174.5-74.1-177.149.900111.9S514 V518 F554 S559 S562S514-Q557 PolarHBondContact O-NE2 3.38Å; S514-Q557 PolarHBondContact O-OE1 2.96Å; V518-Q557 HydrophobicContact CB-CB 4.14Å; V518-Q557 HydrophobicContact CG1-CB 4.03Å; V518-Q557 HydrophobicContact CG1-CG 4.38Å; V518-Q557 WeakPolarHBondContact CG2-O 3.49Å; F554-Q557 HydrophobicContact CB-CB 4.04Å; F554-Q557 HydrophobicContact CB-CG 4.46Å; F554-Q557 PolarHBondContact O-N 3.47Å; Q557-S559 VanDerWaalsContact C-N 3.31Å; Q557-S562 WeakPolarHBondContact O-CB 3.37Å; Q557-S562 PolarHBondContact O-OG 2.69Å
558F91.6Very high91.8Very high0 Ų031.6 Ų31.60%017%0.172CC..THydrogen-bonded Turntrans-9723.8177.7-71-100.4000112.3F517 V518 F521 F547 L550 K551 F554 P555 F556 L563F517-F558 HydrophobicContact CB-CE2 3.97Å; F517-F558 HydrophobicContact CB-CZ 4.38Å; V518-F558 HydrophobicContact CB-CE2 4.38Å; V518-F558 HydrophobicContact CB-CZ 4.48Å; F521-F558 HydrophobicContact CB-CE1 4.07Å; F521-F558 HydrophobicContact CB-CZ 4.04Å; F521-F558 AromaticContact CD1-CE1 3.99Å; F521-F558 HydrophobicContact CD1-CE1 3.99Å; F521-F558 HydrophobicContact CD2-CE1 4.37Å; F521-F558 AromaticContact CG-CE1 3.87Å; F521-F558 HydrophobicContact CG-CE1 3.87Å; F521-F558 HydrophobicContact CG-CZ 4.31Å; F547-F558 HydrophobicContact CD2-CD1 4.06Å; F547-F558 HydrophobicContact CD2-CE1 4.38Å; F547-F558 AromaticContact CE2-CD1 3.95Å; F547-F558 HydrophobicContact CE2-CD1 3.95Å; L550-F558 HydrophobicContact CB-CD1 4.3Å; L550-F558 HydrophobicContact CB-CD2 4.29Å; L550-F558 HydrophobicContact CB-CE1 3.83Å; L550-F558 HydrophobicContact CB-CE2 3.82Å; L550-F558 HydrophobicContact CB-CZ 3.58Å; L550-F558 HydrophobicContact CD1-CE1 4.12Å; L550-F558 HydrophobicContact CD1-CZ 3.77Å; L550-F558 HydrophobicContact CG-CZ 4.16Å; K551-F558 HydrophobicContact CB-CB 3.91Å; K551-F558 HydrophobicContact CB-CG 4.44Å; K551-F558 HydrophobicContact CG-CB 3.94Å; F554-F558 HydrophobicContact CB-CD2 3.98Å; F554-F558 HydrophobicContact CB-CE2 4.33Å; F554-F558 HydrophobicContact CD2-CE2 4.39Å; F554-F558 WeakPolarHBondContact O-CD2 3.37Å; F554-F558 PolarHBondContact O-N 3.17Å; P555-F558 CarbonylContact O-C 3.54Å; F556-F558 VanDerWaalsContact C-N 3.31Å; F556-F558 PolarHBondContact O-N 3.07Å; F558-L563 HydrophobicContact CB-CD1 4.24Å; F558-L563 HydrophobicContact CD1-CD1 4.42Å; F558-L563 HydrophobicContact CD1-CD2 3.74Å; F558-L563 HydrophobicContact CD1-CG 4.44Å; F558-L563 HydrophobicContact CE1-CD2 4.19Å; F558-L563 HydrophobicContact CG-CD2 4.43Å; F558-L563 VanDerWaalsContact O-CD1 3.27Å; F558-L563 WeakPolarHBondContact O-CD1 3.2Å
559S91.2Very high91.9Very high39 Ų3931.4 Ų31.427%0.27317%0.167SC..SBendtrans-65.6153.9165.964.10000110P555 F556 Q557 D561 S562 L563P555-S559 PolarHBondContact O-N 2.71Å; P555-S559 VanDerWaalsContact O-N 3.15Å; F556-S559 VanDerWaalsContact O-CB 3.28Å; F556-S559 WeakPolarHBondContact O-CB 3.28Å; F556-S559 PolarHBondContact O-N 2.92Å; F556-S559 PolarHBondContact O-OG 3.37Å; Q557-S559 VanDerWaalsContact C-N 3.31Å; S559-D561 VanDerWaalsContact C-N 3.35Å; S559-D561 PolarHBondContact O-N 2.95Å; S559-S562 PolarHBondContact O-N 3.28Å; S559-S562 WeakPolarHBondContact OG-CB 3.35Å; S559-S562 PolarHBondContact OG-N 3.03Å; S559-L563 WeakPolarHBondContact O-CB 3.25Å; S559-L563 WeakPolarHBondContact O-CG 3.4Å; S559-L563 PolarHBondContact O-N 3.02Å
560S90Very high92Very high62 Ų6230.9 Ų30.943%0.43416%0.159SC..Hα-helixtrans-56.2-47.4-176-53.70000112.2L563 L564S560-L563 PolarHBondContact O-N 2.83Å; S560-L564 WeakPolarHBondContact O-CB 3.39Å; S560-L564 WeakPolarHBondContact O-CD1 3.23Å; S560-L564 WeakPolarHBondContact O-CG 3.23Å; S560-L564 PolarHBondContact O-N 3.48Å
561D91.3Very high91.8Very high28 Ų2830.9 Ų30.915%0.1516%0.159CC..Hα-helixtrans-65.9-40.9179.7-70.8-29.4000112.4S559 L565 L595 S596 L600 L693S559-D561 VanDerWaalsContact C-N 3.35Å; S559-D561 PolarHBondContact O-N 2.95Å; D561-L565 WeakPolarHBondContact O-CB 3.14Å; D561-L565 PolarHBondContact O-N 3.01Å; D561-L595 HydrophobicContact CB-CD2 4.25Å; D561-S596 VanDerWaalsContact CG-OG 3.28Å; D561-S596 WeakPolarHBondContact OD1-CB 3.38Å; D561-S596 PolarHBondContact OD1-N 3.26Å; D561-S596 PolarHBondContact OD1-OG 2.85Å; D561-S596 WeakPolarHBondContact OD2-CB 3.43Å; D561-S596 PolarHBondContact OD2-OG 2.82Å; D561-L600 HydrophobicContact CB-CD1 4.26Å; D561-L693 HydrophobicContact CB-CD1 4.41Å
562S91.3Very high91.9Very high2 Ų226.7 Ų26.71%0.01414%0.141CC..Hα-helixtrans-63.3-43.6177.6179.50000111.5Q557 S559 N566Q557-S562 WeakPolarHBondContact O-CB 3.37Å; Q557-S562 PolarHBondContact O-OG 2.69Å; S559-S562 PolarHBondContact O-N 3.28Å; S559-S562 WeakPolarHBondContact OG-CB 3.35Å; S559-S562 PolarHBondContact OG-N 3.03Å; S562-N566 WeakPolarHBondContact O-CB 3.36Å; S562-N566 PolarHBondContact O-N 2.7Å; S562-N566 PolarHBondContact O-ND2 3.28Å
563L91.9Very high91.9Very high1 Ų120.5 Ų20.51%0.00512%0.115CC..Hα-helixtrans-63-51.6176.8-77.5164.1000111.8V518 F521 L535 F547 F558 S559 S560 L565 N566 L567V518-L563 HydrophobicContact CG2-CD2 3.8Å; V518-L563 HydrophobicContact CG2-CG 4.4Å; F521-L563 HydrophobicContact CD1-CD2 4.44Å; L535-L563 HydrophobicContact CD2-CD1 4.39Å; F547-L563 HydrophobicContact CE2-CD1 3.59Å; F547-L563 HydrophobicContact CE2-CD2 4.13Å; F547-L563 HydrophobicContact CZ-CD1 3.79Å; F558-L563 HydrophobicContact CB-CD1 4.24Å; F558-L563 HydrophobicContact CD1-CD1 4.42Å; F558-L563 HydrophobicContact CD1-CD2 3.74Å; F558-L563 HydrophobicContact CD1-CG 4.44Å; F558-L563 HydrophobicContact CE1-CD2 4.19Å; F558-L563 HydrophobicContact CG-CD2 4.43Å; F558-L563 VanDerWaalsContact O-CD1 3.27Å; F558-L563 WeakPolarHBondContact O-CD1 3.2Å; S559-L563 WeakPolarHBondContact O-CB 3.25Å; S559-L563 WeakPolarHBondContact O-CG 3.4Å; S559-L563 PolarHBondContact O-N 3.02Å; S560-L563 PolarHBondContact O-N 2.83Å; L563-L565 VanDerWaalsContact C-N 3.33Å; L563-L565 PolarHBondContact O-N 3.45Å; L563-N566 PolarHBondContact O-N 3.28Å; L563-L567 WeakPolarHBondContact O-CB 3.27Å; L563-L567 WeakPolarHBondContact O-CG 3.46Å; L563-L567 PolarHBondContact O-N 3.08Å
564L92.5Very high91.8Very high11 Ų1121.5 Ų21.56%0.05812%0.118CC..Hα-helixtrans-63.3-40.4-178.3-69.5167.1000111.7F534 L535 S560 L567 G568 Y591 S594 L595F534-L564 HydrophobicContact CE1-CD2 4.28Å; F534-L564 HydrophobicContact CZ-CD2 4.28Å; L535-L564 HydrophobicContact CD1-CD1 4.4Å; L535-L564 HydrophobicContact CD1-CD2 4.44Å; L535-L564 HydrophobicContact CD1-CG 4.5Å; S560-L564 WeakPolarHBondContact O-CB 3.39Å; S560-L564 WeakPolarHBondContact O-CD1 3.23Å; S560-L564 WeakPolarHBondContact O-CG 3.23Å; S560-L564 PolarHBondContact O-N 3.48Å; L564-L567 PolarHBondContact O-N 3.15Å; L564-G568 PolarHBondContact O-N 2.85Å; L564-Y591 HydrophobicContact CD2-CD1 3.89Å; L564-S594 VanDerWaalsContact CD1-OG 3.3Å; L564-S594 WeakPolarHBondContact CD1-OG 3.39Å; L564-S594 WeakPolarHBondContact CD2-OG 3.2Å; L564-L595 HydrophobicContact CB-CD2 3.84Å
565L93.5Very high91.7Very high2 Ų221.5 Ų21.51%0.0112%0.118CC..Hα-helixtrans-64.8-45.4175.7-179.161000111.5D561 L563 G568 W569 L592 L595 S604 L692 L693D561-L565 WeakPolarHBondContact O-CB 3.14Å; D561-L565 PolarHBondContact O-N 3.01Å; L563-L565 VanDerWaalsContact C-N 3.33Å; L563-L565 PolarHBondContact O-N 3.45Å; L565-G568 PolarHBondContact O-N 3.15Å; L565-W569 WeakPolarHBondContact O-CB 3.49Å; L565-W569 PolarHBondContact O-N 2.89Å; L565-L592 HydrophobicContact CD1-CD2 4.2Å; L565-L595 HydrophobicContact CB-CD2 4.24Å; L565-L595 HydrophobicContact CD1-CD1 4.46Å; L565-S604 VanDerWaalsContact CD1-CB 3.45Å; L565-L692 HydrophobicContact CD2-CD2 4.38Å; L565-L692 HydrophobicContact CD2-CG 3.97Å; L565-L692 HydrophobicContact CG-CD2 3.93Å; L565-L692 HydrophobicContact CG-CG 4.05Å; L565-L693 HydrophobicContact CD2-CB 4.24Å; L565-L693 HydrophobicContact CD2-CD1 3.79Å
566N93.2Very high91.7Very high0 Ų020.7 Ų20.70%011%0.109CC..Hα-helixtrans-65.3-37.6176.8-83.9-80.4000111.8V518 E519 C522 S562 L563 W569 Q570V518-N566 HydrophobicContact CG2-CB 4.01Å; E519-N566 WeakPolarHBondContact CG-OD1 3.43Å; C522-N566 HydrophobicContact CB-CB 4Å; S562-N566 WeakPolarHBondContact O-CB 3.36Å; S562-N566 PolarHBondContact O-N 2.7Å; S562-N566 PolarHBondContact O-ND2 3.28Å; L563-N566 PolarHBondContact O-N 3.28Å; N566-W569 PolarHBondContact O-N 2.92Å; N566-Q570 WeakPolarHBondContact O-CB 3.13Å; N566-Q570 VanDerWaalsContact O-CG 3.23Å; N566-Q570 WeakPolarHBondContact O-CG 3.07Å; N566-Q570 PolarHBondContact O-N 3.22Å
567L92.7Very high91.5Very high1 Ų124.6 Ų24.61%0.00513%0.126CC..Hα-helixtrans-66.9-46.6174.4-72.3170.9000112C522 F525 F534 L563 L564 W569 Q570 T571 Y591C522-L567 HydrophobicContact CB-CD2 3.73Å; C522-L567 HydrophobicContact CB-CG 4.18Å; F525-L567 HydrophobicContact CB-CD2 4.37Å; F525-L567 HydrophobicContact CD1-CD1 4.25Å; F525-L567 HydrophobicContact CD1-CD2 3.83Å; F534-L567 HydrophobicContact CE1-CD1 3.72Å; F534-L567 HydrophobicContact CE2-CD1 4.19Å; F534-L567 HydrophobicContact CZ-CD1 3.38Å; L563-L567 WeakPolarHBondContact O-CB 3.27Å; L563-L567 WeakPolarHBondContact O-CG 3.46Å; L563-L567 PolarHBondContact O-N 3.08Å; L564-L567 PolarHBondContact O-N 3.15Å; L567-W569 PolarHBondContact O-N 3.35Å; L567-Q570 PolarHBondContact O-N 3.17Å; L567-T571 WeakPolarHBondContact O-CB 3.33Å; L567-T571 WeakPolarHBondContact O-CG2 3.48Å; L567-T571 PolarHBondContact O-N 3.38Å; L567-T571 PolarHBondContact O-OG1 2.92Å; L567-Y591 HydrophobicContact CB-CD2 3.98Å; L567-Y591 HydrophobicContact CB-CE2 4.09Å; L567-Y591 HydrophobicContact CB-CG 4.24Å
568G92.8Very high91.3Very high0 Ų025.8 Ų25.80%014%0.14CC..Hα-helixtrans-58.1-39.217400000112.1L564 L565 T571 A572L564-G568 PolarHBondContact O-N 2.85Å; L565-G568 PolarHBondContact O-N 3.15Å; G568-T571 WeakPolarHBondContact CA-OG1 3.45Å; G568-T571 PolarHBondContact O-OG1 2.8Å; G568-T571 VanDerWaalsContact O-OG1 3.07Å; G568-A572 WeakPolarHBondContact O-CB 3.4Å; G568-A572 PolarHBondContact O-N 3.02Å
569W93.8Very high90.8Very high37 Ų3726.6 Ų26.614%0.1414%0.144CC..Hα-helixtrans-67.5-48.3176.7-172.8-91.9000112.9L565 N566 L567 A572 S573 F607 V608 T611 Y612 L692L565-W569 WeakPolarHBondContact O-CB 3.49Å; L565-W569 PolarHBondContact O-N 2.89Å; N566-W569 PolarHBondContact O-N 2.92Å; L567-W569 PolarHBondContact O-N 3.35Å; W569-A572 PolarHBondContact O-N 2.94Å; W569-S573 WeakPolarHBondContact O-CB 3.49Å; W569-S573 PolarHBondContact O-N 3.03Å; W569-F607 HydrophobicContact CE3-CD1 4Å; W569-F607 HydrophobicContact CE3-CE1 4.2Å; W569-F607 AromaticContact CH2-CD1 3.54Å; W569-F607 HydrophobicContact CH2-CD1 3.54Å; W569-F607 HydrophobicContact CH2-CD2 4.23Å; W569-F607 AromaticContact CH2-CE1 3.2Å; W569-F607 HydrophobicContact CH2-CE1 3.2Å; W569-F607 AromaticContact CH2-CE2 3.96Å; W569-F607 HydrophobicContact CH2-CE2 3.96Å; W569-F607 HydrophobicContact CH2-CG 4.02Å; W569-F607 AromaticContact CH2-CZ 3.43Å; W569-F607 HydrophobicContact CH2-CZ 3.43Å; W569-F607 VanDerWaalsContact CH2-CZ 3.43Å; W569-F607 HydrophobicContact CZ2-CE1 4.04Å; W569-F607 HydrophobicContact CZ2-CZ 4.22Å; W569-F607 HydrophobicContact CZ3-CB 4.29Å; W569-F607 AromaticContact CZ3-CD1 3.13Å; W569-F607 HydrophobicContact CZ3-CD1 3.13Å; W569-F607 HydrophobicContact CZ3-CD2 4.3Å; W569-F607 AromaticContact CZ3-CE1 3.32Å; W569-F607 HydrophobicContact CZ3-CE1 3.32Å; W569-F607 HydrophobicContact CZ3-CE2 4.44Å; W569-F607 AromaticContact CZ3-CG 3.66Å; W569-F607 HydrophobicContact CZ3-CG 3.66Å; W569-F607 AromaticContact CZ3-CZ 3.99Å; W569-F607 HydrophobicContact CZ3-CZ 3.99Å; W569-V608 HydrophobicContact CE3-CG2 4.06Å; W569-V608 HydrophobicContact CZ3-CG2 4.32Å; W569-T611 HydrophobicContact CH2-CG2 3.76Å; W569-T611 WeakPolarHBondContact CH2-OG1 3.36Å; W569-T611 HydrophobicContact CZ2-CG2 3.95Å; W569-Y612 AromaticContact CD2-CE2 3.8Å; W569-Y612 HydrophobicContact CD2-CE2 3.8Å; W569-Y612 AromaticContact CE2-CE2 3.62Å; W569-Y612 AromaticContact CE2-CZ 3.87Å; W569-Y612 VanDerWaalsContact CE2-OH 3.31Å; W569-Y612 HydrophobicContact CE3-CE2 4.04Å; W569-Y612 HydrophobicContact CG-CE2 4.36Å; W569-Y612 AromaticContact CH2-CE2 3.99Å; W569-Y612 HydrophobicContact CH2-CE2 3.99Å; W569-Y612 AromaticContact CZ2-CE2 3.75Å; W569-Y612 HydrophobicContact CZ2-CE2 3.75Å; W569-Y612 AromaticContact CZ2-CZ 3.92Å; W569-Y612 HydrophobicContact CZ3-CE2 4.11Å; W569-Y612 AromaticContact NE1-CZ 3.97Å; W569-Y612 PolarHBondContact NE1-OH 2.69Å; W569-L692 HydrophobicContact CB-CD2 3.69Å; W569-L692 HydrophobicContact CD2-CD1 4.01Å; W569-L692 HydrophobicContact CD2-CD2 4.1Å; W569-L692 HydrophobicContact CE3-CD1 4.07Å; W569-L692 HydrophobicContact CG-CD1 4.47Å; W569-L692 HydrophobicContact CG-CD2 3.72Å; W569-L692 HydrophobicContact CZ3-CD1 4.43Å
570Q91.4Very high90.4Very high35 Ų3526.7 Ų26.716%0.16415%0.147CC..Hα-helixtrans-66.6-39.9179.2-67.3-60.4-24.700111.7C522 N566 L567 S573 Q574C522-Q570 HydrophobicContact CB-CG 4.26Å; N566-Q570 WeakPolarHBondContact O-CB 3.13Å; N566-Q570 VanDerWaalsContact O-CG 3.23Å; N566-Q570 WeakPolarHBondContact O-CG 3.07Å; N566-Q570 PolarHBondContact O-N 3.22Å; L567-Q570 PolarHBondContact O-N 3.17Å; Q570-S573 WeakPolarHBondContact O-CB 3.49Å; Q570-S573 PolarHBondContact O-N 3.4Å; Q570-Q574 WeakPolarHBondContact O-CG 3.42Å; Q570-Q574 PolarHBondContact O-N 3.21Å
571T91.5Very high90.2Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-67.2-39.6175.848.50000112.5L567 G568 S573 Q574 W575 L587 A588 Y591L567-T571 WeakPolarHBondContact O-CB 3.33Å; L567-T571 WeakPolarHBondContact O-CG2 3.48Å; L567-T571 PolarHBondContact O-N 3.38Å; L567-T571 PolarHBondContact O-OG1 2.92Å; G568-T571 WeakPolarHBondContact CA-OG1 3.45Å; G568-T571 PolarHBondContact O-OG1 2.8Å; G568-T571 VanDerWaalsContact O-OG1 3.07Å; T571-S573 VanDerWaalsContact C-N 3.33Å; T571-S573 PolarHBondContact O-N 3.23Å; T571-Q574 PolarHBondContact O-N 3.49Å; T571-W575 PolarHBondContact O-N 3.36Å; T571-L587 HydrophobicContact CG2-CD2 4.33Å; T571-A588 WeakPolarHBondContact OG1-CA 3.45Å; T571-A588 WeakPolarHBondContact OG1-CB 3.21Å; T571-Y591 HydrophobicContact CG2-CD2 4.49Å; T571-Y591 HydrophobicContact CG2-CE2 3.95Å
572A93.3Very high90Very high0 Ų026.6 Ų26.60%014%0.142CC..Hα-helixtrans-63.7-38.7172.300000112.4G568 W569 W575 H576 A588 V608 Y612G568-A572 WeakPolarHBondContact O-CB 3.4Å; G568-A572 PolarHBondContact O-N 3.02Å; W569-A572 PolarHBondContact O-N 2.94Å; A572-W575 PolarHBondContact O-N 3.31Å; A572-H576 PolarHBondContact O-N 2.93Å; A572-A588 HydrophobicContact CB-CB 4.24Å; A572-V608 HydrophobicContact CB-CG1 3.71Å; A572-V608 HydrophobicContact CB-CG2 4.37Å; A572-Y612 HydrophobicContact CB-CD2 3.72Å; A572-Y612 HydrophobicContact CB-CE2 4.32Å; A572-Y612 HydrophobicContact CB-CG 4.36Å
573S92.6Very high89.9Confident21 Ų2134 Ų3415%0.14718%0.176CC..Hα-helixtrans-62.1-45.3173.6-172.60000111.6W569 Q570 T571 W575 H576 F577 Y612W569-S573 WeakPolarHBondContact O-CB 3.49Å; W569-S573 PolarHBondContact O-N 3.03Å; Q570-S573 WeakPolarHBondContact O-CB 3.49Å; Q570-S573 PolarHBondContact O-N 3.4Å; T571-S573 VanDerWaalsContact C-N 3.33Å; T571-S573 PolarHBondContact O-N 3.23Å; S573-W575 VanDerWaalsContact C-N 3.35Å; S573-W575 PolarHBondContact O-N 3.32Å; S573-H576 WeakPolarHBondContact O-CB 3.42Å; S573-H576 PolarHBondContact O-N 3.48Å; S573-F577 WeakPolarHBondContact O-CD2 3.34Å; S573-F577 PolarHBondContact O-N 3.49Å; S573-Y612 WeakPolarHBondContact CB-OH 3.43Å
574Q89.4Confident89.8Confident57 Ų5734.8 Ų34.827%0.26618%0.18SC..Hα-helixtrans-61.9-42.5175.3-71.7-179.939.800112S526 Q570 T571 H576 F577 G578 L584S526-Q574 PolarHBondContact OG-NE2 2.91Å; Q570-Q574 WeakPolarHBondContact O-CG 3.42Å; Q570-Q574 PolarHBondContact O-N 3.21Å; T571-Q574 PolarHBondContact O-N 3.49Å; Q574-H576 VanDerWaalsContact C-N 3.34Å; Q574-H576 PolarHBondContact O-N 3.39Å; Q574-F577 PolarHBondContact O-N 3.31Å; Q574-G578 PolarHBondContact O-N 2.97Å; Q574-L584 HydrophobicContact CB-CD1 4.2Å
575W91.6Very high89.7Confident0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-60.1-43.2173.3174.869.6000111.5T571 A572 S573 F577 G578 F579 L584 L585 C613 I616 I640 L644T571-W575 PolarHBondContact O-N 3.36Å; A572-W575 PolarHBondContact O-N 3.31Å; S573-W575 VanDerWaalsContact C-N 3.35Å; S573-W575 PolarHBondContact O-N 3.32Å; W575-F577 VanDerWaalsContact C-N 3.32Å; W575-F577 PolarHBondContact O-N 2.95Å; W575-G578 CarbonylContact O-C 3.56Å; W575-G578 PolarHBondContact O-N 3.44Å; W575-F579 HydrophobicContact CZ2-CB 4.25Å; W575-F579 PolarHBondContact NE1-O 3.07Å; W575-F579 WeakPolarHBondContact O-CA 3.36Å; W575-F579 WeakPolarHBondContact O-CB 3.38Å; W575-F579 PolarHBondContact O-N 2.69Å; W575-L584 HydrophobicContact CB-CB 3.78Å; W575-L584 HydrophobicContact CB-CD1 4.49Å; W575-L584 HydrophobicContact CG-CB 4.43Å; W575-L585 HydrophobicContact CD2-CB 3.91Å; W575-L585 HydrophobicContact CD2-CD1 4.21Å; W575-L585 HydrophobicContact CD2-CD2 4.27Å; W575-L585 HydrophobicContact CD2-CG 4.36Å; W575-L585 HydrophobicContact CE3-CD1 4Å; W575-L585 HydrophobicContact CE3-CD2 4.45Å; W575-L585 HydrophobicContact CG-CB 3.91Å; W575-L585 HydrophobicContact CH2-CD2 3.96Å; W575-L585 HydrophobicContact CZ2-CD2 3.77Å; W575-L585 HydrophobicContact CZ3-CD1 4.26Å; W575-L585 HydrophobicContact CZ3-CD2 4.3Å; W575-C613 HydrophobicContact CZ3-CB 4.22Å; W575-I616 HydrophobicContact CE3-CD1 4.3Å; W575-I616 HydrophobicContact CH2-CB 4.17Å; W575-I616 HydrophobicContact CH2-CD1 3.59Å; W575-I616 HydrophobicContact CH2-CG1 4.47Å; W575-I616 HydrophobicContact CH2-CG2 4.03Å; W575-I616 HydrophobicContact CZ2-CD1 4.06Å; W575-I616 HydrophobicContact CZ2-CG2 4.25Å; W575-I616 HydrophobicContact CZ3-CD1 3.73Å; W575-I640 HydrophobicContact CZ2-CG2 3.94Å; W575-L644 HydrophobicContact CH2-CD2 4.14Å
576H90Very high89.6Confident45 Ų4535.4 Ų35.421%0.20819%0.187CC..Hα-helixtrans-57.3-43.7179.3179.779.9000112.7A572 S573 Q574 Y612A572-H576 PolarHBondContact O-N 2.93Å; S573-H576 WeakPolarHBondContact O-CB 3.42Å; S573-H576 PolarHBondContact O-N 3.48Å; Q574-H576 VanDerWaalsContact C-N 3.34Å; Q574-H576 PolarHBondContact O-N 3.39Å; H576-Y612 HydrophobicContact CB-CD1 3.74Å; H576-Y612 HydrophobicContact CB-CG 4.26Å; H576-Y612 AromaticContact CG-CD1 3.94Å; H576-Y612 PolarHBondContact ND1-O 2.91Å
577F86.3Confident89.5Confident169 Ų16936.7 Ų36.774%0.74119%0.194SC*.Hα-helixtrans-79.7-15.2176.6-66.8-68.5000114S573 Q574 W575S573-F577 WeakPolarHBondContact O-CD2 3.34Å; S573-F577 PolarHBondContact O-N 3.49Å; Q574-F577 PolarHBondContact O-N 3.31Å; W575-F577 VanDerWaalsContact C-N 3.32Å; W575-F577 PolarHBondContact O-N 2.95Å
578G84.5Confident89.5Confident32 Ų3236.7 Ų36.733%0.3319%0.194SC..THydrogen-bonded Turntrans-135.547.6-176.500000112.9Q574 W575 A580 N581Q574-G578 PolarHBondContact O-N 2.97Å; W575-G578 CarbonylContact O-C 3.56Å; W575-G578 PolarHBondContact O-N 3.44Å; G578-A580 PolarHBondContact O-N 3.04Å; G578-N581 PolarHBondContact O-N 2.87Å
579F81.7Confident89.6Confident17 Ų1737.1 Ų37.18%0.07520%0.196CC..THydrogen-bonded Turntrans-67.2-12.3-164.163.8-86.2000114.9W575 N581 I616 F628 I632 F633 I640W575-F579 HydrophobicContact CZ2-CB 4.25Å; W575-F579 PolarHBondContact NE1-O 3.07Å; W575-F579 WeakPolarHBondContact O-CA 3.36Å; W575-F579 WeakPolarHBondContact O-CB 3.38Å; W575-F579 PolarHBondContact O-N 2.69Å; F579-N581 PolarHBondContact O-N 3.36Å; F579-I616 HydrophobicContact CB-CD1 3.87Å; F579-I616 HydrophobicContact CG-CD1 4.35Å; F579-F628 HydrophobicContact CD1-CE1 4.11Å; F579-F628 AromaticContact CE1-CD1 3.45Å; F579-F628 HydrophobicContact CE1-CD1 3.45Å; F579-F628 VanDerWaalsContact CE1-CD1 3.45Å; F579-F628 AromaticContact CE1-CE1 3.38Å; F579-F628 HydrophobicContact CE1-CE1 3.38Å; F579-F628 AromaticContact CZ-CD1 3.47Å; F579-F628 HydrophobicContact CZ-CD1 3.47Å; F579-F628 VanDerWaalsContact CZ-CD1 3.47Å; F579-F628 AromaticContact CZ-CE1 3.9Å; F579-F628 HydrophobicContact CZ-CE1 3.9Å; F579-I632 HydrophobicContact CD2-CG2 4.08Å; F579-I632 HydrophobicContact CE2-CB 4.12Å; F579-I632 HydrophobicContact CE2-CG2 3.44Å; F579-I632 VanDerWaalsContact CE2-CG2 3.44Å; F579-I632 HydrophobicContact CZ-CB 4.42Å; F579-I632 HydrophobicContact CZ-CD1 4.05Å; F579-I632 HydrophobicContact CZ-CG2 4.04Å; F579-F633 HydrophobicContact CE2-CE1 4.23Å; F579-F633 HydrophobicContact CE2-CE2 4.45Å; F579-F633 HydrophobicContact CE2-CZ 4.09Å; F579-I640 HydrophobicContact CD2-CD1 3.98Å
580A82.7Confident89.5Confident40 Ų4039.9 Ų39.933%0.33121%0.211SC..THydrogen-bonded Turntrans-59.8-30.6167.600000112.2G578 V582 I632G578-A580 PolarHBondContact O-N 3.04Å; A580-V582 PolarHBondContact O-N 2.9Å; A580-V582 VanDerWaalsContact O-N 3.07Å; A580-I632 HydrophobicContact CB-CG2 3.89Å
581N87Confident89.5Confident73 Ų7338.7 Ų38.739%0.3921%0.205SC..  trans-84.379.8175-170.7-2.7000111.2G578 F579 Q583 L584G578-N581 PolarHBondContact O-N 2.87Å; F579-N581 PolarHBondContact O-N 3.36Å; N581-Q583 PolarHBondContact O-N 3.44Å; N581-Q583 VanDerWaalsContact O-N 3.14Å; N581-Q583 PolarHBondContact OD1-N 3.34Å; N581-L584 HydrophobicContact CB-CD1 3.99Å; N581-L584 HydrophobicContact CB-CG 4.23Å; N581-L584 PolarHBondContact O-N 3.41Å; N581-L584 VanDerWaalsContact O-N 3.17Å
582V87.3Confident89.6Confident16 Ų1638.7 Ų38.710%0.09721%0.205CC..Hα-helixtrans-60.1-24.4-177-175.80000113.2A580 L584 L585 A586 H636 A639 I640 H643A580-V582 PolarHBondContact O-N 2.9Å; A580-V582 VanDerWaalsContact O-N 3.07Å; V582-L584 VanDerWaalsContact C-N 3.26Å; V582-L584 PolarHBondContact O-N 3.44Å; V582-L585 PolarHBondContact O-N 3.17Å; V582-A586 PolarHBondContact O-N 3.2Å; V582-H636 HydrophobicContact CG2-CB 3.97Å; V582-A639 HydrophobicContact CB-CB 4.46Å; V582-A639 HydrophobicContact CG1-CB 3.86Å; V582-A639 HydrophobicContact CG2-CB 4.21Å; V582-I640 HydrophobicContact CG2-CG1 3.79Å; V582-H643 WeakPolarHBondContact CG1-CD2 3.48Å; V582-H643 PolarHBondContact O-CD2 3.48Å
583Q88.6Confident89.6Confident156 Ų15643.2 Ų43.273%0.72923%0.226SC*.Hα-helixtrans-65.3-28.3179.1-62.7-178.5-15.700112.9N581 L585 A586 L587N581-Q583 PolarHBondContact O-N 3.44Å; N581-Q583 VanDerWaalsContact O-N 3.14Å; N581-Q583 PolarHBondContact OD1-N 3.34Å; Q583-L585 VanDerWaalsContact C-N 3.32Å; Q583-L585 PolarHBondContact O-N 3.29Å; Q583-A586 WeakPolarHBondContact O-CB 3.39Å; Q583-A586 PolarHBondContact O-N 2.83Å; Q583-L587 WeakPolarHBondContact O-CB 3.45Å; Q583-L587 PolarHBondContact O-N 2.84Å
584L90.1Very high89.6Confident18 Ų1845.2 Ų45.29%0.09424%0.24CC..Hα-helixtrans-64.3-37.5177.5-68.9174.5000112Q574 W575 N581 V582 L587 A588Q574-L584 HydrophobicContact CB-CD1 4.2Å; W575-L584 HydrophobicContact CB-CB 3.78Å; W575-L584 HydrophobicContact CB-CD1 4.49Å; W575-L584 HydrophobicContact CG-CB 4.43Å; N581-L584 HydrophobicContact CB-CD1 3.99Å; N581-L584 HydrophobicContact CB-CG 4.23Å; N581-L584 PolarHBondContact O-N 3.41Å; N581-L584 VanDerWaalsContact O-N 3.17Å; V582-L584 VanDerWaalsContact C-N 3.26Å; V582-L584 PolarHBondContact O-N 3.44Å; L584-L587 PolarHBondContact O-N 2.67Å; L584-A588 WeakPolarHBondContact O-CB 3.2Å; L584-A588 PolarHBondContact O-N 3.3Å
585L90.8Very high89.7Confident1 Ų142.6 Ų42.61%0.00523%0.228CC..Hα-helixtrans-68-40.6176.2-17659.6000111W575 V582 Q583 L587 A588 M589 H643 L644W575-L585 HydrophobicContact CD2-CB 3.91Å; W575-L585 HydrophobicContact CD2-CD1 4.21Å; W575-L585 HydrophobicContact CD2-CD2 4.27Å; W575-L585 HydrophobicContact CD2-CG 4.36Å; W575-L585 HydrophobicContact CE3-CD1 4Å; W575-L585 HydrophobicContact CE3-CD2 4.45Å; W575-L585 HydrophobicContact CG-CB 3.91Å; W575-L585 HydrophobicContact CH2-CD2 3.96Å; W575-L585 HydrophobicContact CZ2-CD2 3.77Å; W575-L585 HydrophobicContact CZ3-CD1 4.26Å; W575-L585 HydrophobicContact CZ3-CD2 4.3Å; V582-L585 PolarHBondContact O-N 3.17Å; Q583-L585 VanDerWaalsContact C-N 3.32Å; Q583-L585 PolarHBondContact O-N 3.29Å; L585-L587 VanDerWaalsContact C-N 3.34Å; L585-L587 PolarHBondContact O-N 2.86Å; L585-A588 PolarHBondContact O-N 3.33Å; L585-M589 VanDerWaalsContact O-CG 3.31Å; L585-M589 WeakPolarHBondContact O-CG 3.33Å; L585-M589 PolarHBondContact O-N 2.98Å; L585-H643 HydrophobicContact CD2-CB 3.59Å; L585-H643 HydrophobicContact CG-CB 4.04Å; L585-L644 HydrophobicContact CD2-CD2 4.1Å
586A91.1Very high89.6Confident25 Ų2546 Ų4621%0.20725%0.252CS..Hα-helixtrans-61.7-42.4174.300000111.9V582 Q583 M589 Q590V582-A586 PolarHBondContact O-N 3.2Å; Q583-A586 WeakPolarHBondContact O-CB 3.39Å; Q583-A586 PolarHBondContact O-N 2.83Å; A586-M589 WeakPolarHBondContact O-CB 3.02Å; A586-M589 PolarHBondContact O-N 3.45Å; A586-Q590 WeakPolarHBondContact O-CG 3.47Å; A586-Q590 PolarHBondContact O-N 2.83Å
587L91.1Very high89.5Confident27 Ų2747 Ų4714%0.14126%0.261CS..Hα-helixtrans-65.6-43.7176.7-174.366.6000111.7T571 Q583 L584 L585 M589 Q590 Y591T571-L587 HydrophobicContact CG2-CD2 4.33Å; Q583-L587 WeakPolarHBondContact O-CB 3.45Å; Q583-L587 PolarHBondContact O-N 2.84Å; L584-L587 PolarHBondContact O-N 2.67Å; L585-L587 VanDerWaalsContact C-N 3.34Å; L585-L587 PolarHBondContact O-N 2.86Å; L587-M589 VanDerWaalsContact C-N 3.26Å; L587-M589 PolarHBondContact O-N 2.68Å; L587-Q590 WeakPolarHBondContact O-CB 3.35Å; L587-Q590 PolarHBondContact O-N 2.88Å; L587-Q590 VanDerWaalsContact O-N 3.08Å; L587-Y591 HydrophobicContact CD1-CE2 4.19Å; L587-Y591 HydrophobicContact CD2-CE2 4.1Å; L587-Y591 HydrophobicContact CG-CD2 4.43Å; L587-Y591 HydrophobicContact CG-CE2 3.68Å; L587-Y591 WeakPolarHBondContact O-CD2 3.25Å; L587-Y591 PolarHBondContact O-N 3.16Å; L587-Y591 VanDerWaalsContact O-N 3.16Å
588A92.8Very high89.6Confident2 Ų239.1 Ų39.12%0.01723%0.227CC..Hα-helixtrans-55.8-44.8174.600000110.9T571 A572 L584 L585 Q590 Y591 L592T571-A588 WeakPolarHBondContact OG1-CA 3.45Å; T571-A588 WeakPolarHBondContact OG1-CB 3.21Å; A572-A588 HydrophobicContact CB-CB 4.24Å; L584-A588 WeakPolarHBondContact O-CB 3.2Å; L584-A588 PolarHBondContact O-N 3.3Å; L585-A588 PolarHBondContact O-N 3.33Å; A588-Q590 PolarHBondContact O-N 2.94Å; A588-Y591 PolarHBondContact O-N 2.87Å; A588-L592 WeakPolarHBondContact O-CG 3.04Å; A588-L592 PolarHBondContact O-N 2.96Å; A588-L592 VanDerWaalsContact O-N 3.1Å
589M93.3Very high89.9Confident9 Ų939.7 Ų39.74%0.04422%0.219CC..Hα-helixtrans-61.8-39.3175.9-72178.860.900113.1L585 A586 L587 Y591 L592 Q593 Q646 L647L585-M589 VanDerWaalsContact O-CG 3.31Å; L585-M589 WeakPolarHBondContact O-CG 3.33Å; L585-M589 PolarHBondContact O-N 2.98Å; A586-M589 WeakPolarHBondContact O-CB 3.02Å; A586-M589 PolarHBondContact O-N 3.45Å; L587-M589 VanDerWaalsContact C-N 3.26Å; L587-M589 PolarHBondContact O-N 2.68Å; M589-Y591 VanDerWaalsContact C-N 3.31Å; M589-Y591 PolarHBondContact O-N 3.23Å; M589-L592 PolarHBondContact O-N 2.89Å; M589-Q593 WeakPolarHBondContact O-CB 3.44Å; M589-Q593 VanDerWaalsContact O-CG 3.23Å; M589-Q593 WeakPolarHBondContact O-CG 3.2Å; M589-Q593 PolarHBondContact O-N 3.08Å; M589-Q646 HydrophobicContact CE-CB 3.69Å; M589-Q646 HydrophobicContact SD-CB 4.44Å; M589-L647 HydrophobicContact CE-CB 4.19Å; M589-L647 HydrophobicContact CG-CB 4.5Å; M589-L647 HydrophobicContact CG-CD1 4.02Å; M589-L647 HydrophobicContact SD-CB 3.92Å
590Q91.6Very high90.3Very high95 Ų9538.9 Ų38.944%0.44422%0.216SC..Hα-helixtrans-60.7-41.2176.4-71.117410.300111.7A586 L587 A588 Q593 S594A586-Q590 WeakPolarHBondContact O-CG 3.47Å; A586-Q590 PolarHBondContact O-N 2.83Å; L587-Q590 WeakPolarHBondContact O-CB 3.35Å; L587-Q590 PolarHBondContact O-N 2.88Å; L587-Q590 VanDerWaalsContact O-N 3.08Å; A588-Q590 PolarHBondContact O-N 2.94Å; Q590-Q593 PolarHBondContact O-N 3.41Å; Q590-S594 PolarHBondContact O-N 2.93Å; Q590-S594 PolarHBondContact O-OG 3.35Å
591Y93Very high90.8Very high9 Ų939 Ų394%0.03521%0.208CC..Hα-helixtrans-63.5-44.7174.4-62.7-48.5000112P530 F534 L564 L567 T571 L587 A588 M589 Q593 S594P530-Y591 WeakPolarHBondContact CG-OH 3.21Å; F534-Y591 HydrophobicContact CE1-CE1 4.25Å; L564-Y591 HydrophobicContact CD2-CD1 3.89Å; L567-Y591 HydrophobicContact CB-CD2 3.98Å; L567-Y591 HydrophobicContact CB-CE2 4.09Å; L567-Y591 HydrophobicContact CB-CG 4.24Å; T571-Y591 HydrophobicContact CG2-CD2 4.49Å; T571-Y591 HydrophobicContact CG2-CE2 3.95Å; L587-Y591 HydrophobicContact CD1-CE2 4.19Å; L587-Y591 HydrophobicContact CD2-CE2 4.1Å; L587-Y591 HydrophobicContact CG-CD2 4.43Å; L587-Y591 HydrophobicContact CG-CE2 3.68Å; L587-Y591 WeakPolarHBondContact O-CD2 3.25Å; L587-Y591 PolarHBondContact O-N 3.16Å; L587-Y591 VanDerWaalsContact O-N 3.16Å; A588-Y591 PolarHBondContact O-N 2.87Å; M589-Y591 VanDerWaalsContact C-N 3.31Å; M589-Y591 PolarHBondContact O-N 3.23Å; Y591-Q593 VanDerWaalsContact C-N 3.31Å; Y591-Q593 PolarHBondContact O-N 3.49Å; Y591-S594 PolarHBondContact O-N 2.76Å; Y591-S594 PolarHBondContact O-OG 3.26Å
592L93.5Very high91.1Very high1 Ų135.6 Ų35.61%0.00519%0.19CC..Hα-helixtrans-63.4-37.4177.8-60.9-177000112.1L565 A588 M589 S594 L595 R601 V608 L647 F650L565-L592 HydrophobicContact CD1-CD2 4.2Å; A588-L592 WeakPolarHBondContact O-CG 3.04Å; A588-L592 PolarHBondContact O-N 2.96Å; A588-L592 VanDerWaalsContact O-N 3.1Å; M589-L592 PolarHBondContact O-N 2.89Å; L592-S594 PolarHBondContact O-N 3.07Å; L592-L595 HydrophobicContact CD2-CD1 4.13Å; L592-L595 WeakPolarHBondContact O-CB 3.2Å; L592-L595 WeakPolarHBondContact O-CG 3.03Å; L592-L595 PolarHBondContact O-N 2.65Å; L592-R601 WeakPolarHBondContact O-CG 3.49Å; L592-V608 HydrophobicContact CD1-CB 4.49Å; L592-V608 HydrophobicContact CD1-CG2 4.14Å; L592-L647 HydrophobicContact CD1-CD1 4.49Å; L592-F650 HydrophobicContact CB-CE1 4.33Å
593Q93.1Very high91.3Very high94 Ų9434.9 Ų34.944%0.43919%0.185SC..Hα-helixtrans-63.1-31.3176.2-76.2171.1300113M589 Q590 Y591 L595 F650M589-Q593 WeakPolarHBondContact O-CB 3.44Å; M589-Q593 VanDerWaalsContact O-CG 3.23Å; M589-Q593 WeakPolarHBondContact O-CG 3.2Å; M589-Q593 PolarHBondContact O-N 3.08Å; Q590-Q593 PolarHBondContact O-N 3.41Å; Y591-Q593 VanDerWaalsContact C-N 3.31Å; Y591-Q593 PolarHBondContact O-N 3.49Å; Q593-L595 VanDerWaalsContact C-N 3.29Å; Q593-L595 PolarHBondContact O-N 3.41Å; Q593-F650 HydrophobicContact CB-CE2 4.29Å; Q593-F650 HydrophobicContact CB-CZ 4.18Å; Q593-F650 HydrophobicContact CG-CD1 4.43Å; Q593-F650 HydrophobicContact CG-CD2 3.89Å; Q593-F650 HydrophobicContact CG-CE1 4.07Å; Q593-F650 HydrophobicContact CG-CE2 3.49Å; Q593-F650 VanDerWaalsContact CG-CE2 3.49Å; Q593-F650 HydrophobicContact CG-CG 4.34Å; Q593-F650 HydrophobicContact CG-CZ 3.58Å
594S91.4Very high91.5Very high63 Ų6327.5 Ų27.544%0.44115%0.151SC..THydrogen-bonded Turntrans-80.8-1.1179.865.90000115.1L564 Q590 Y591 L592L564-S594 VanDerWaalsContact CD1-OG 3.3Å; L564-S594 WeakPolarHBondContact CD1-OG 3.39Å; L564-S594 WeakPolarHBondContact CD2-OG 3.2Å; Q590-S594 PolarHBondContact O-N 2.93Å; Q590-S594 PolarHBondContact O-OG 3.35Å; Y591-S594 PolarHBondContact O-N 2.76Å; Y591-S594 PolarHBondContact O-OG 3.26Å; L592-S594 PolarHBondContact O-N 3.07Å
595L91.8Very high91.7Very high3 Ų326.7 Ų26.72%0.01615%0.147CC..  trans-67.6143.8176.1-62.9171.9000111.9D561 L564 L565 L592 Q593 L600 R601 S604D561-L595 HydrophobicContact CB-CD2 4.25Å; L564-L595 HydrophobicContact CB-CD2 3.84Å; L565-L595 HydrophobicContact CB-CD2 4.24Å; L565-L595 HydrophobicContact CD1-CD1 4.46Å; L592-L595 HydrophobicContact CD2-CD1 4.13Å; L592-L595 WeakPolarHBondContact O-CB 3.2Å; L592-L595 WeakPolarHBondContact O-CG 3.03Å; L592-L595 PolarHBondContact O-N 2.65Å; Q593-L595 VanDerWaalsContact C-N 3.29Å; Q593-L595 PolarHBondContact O-N 3.41Å; L595-L600 HydrophobicContact CB-CB 4.38Å; L595-L600 HydrophobicContact CD1-CB 4.3Å; L595-R601 HydrophobicContact CB-CG 3.87Å; L595-R601 PolarHBondContact O-NH1 2.93Å; L595-S604 WeakPolarHBondContact CD1-OG 3.34Å
596S89.4Confident91.8Very high72 Ų7227.1 Ų27.150%0.50315%0.15SC..SBendtrans-63.9-48.6-170.268.20000114.4D561 R601D561-S596 VanDerWaalsContact CG-OG 3.28Å; D561-S596 WeakPolarHBondContact OD1-CB 3.38Å; D561-S596 PolarHBondContact OD1-N 3.26Å; D561-S596 PolarHBondContact OD1-OG 2.85Å; D561-S596 WeakPolarHBondContact OD2-CB 3.43Å; D561-S596 PolarHBondContact OD2-OG 2.82Å; S596-R601 PolarHBondContact O-NH1 3.34Å
597T88.9Confident91.9Very high65 Ų6527.8 Ų27.840%0.39915%0.148SC..SBendtrans-101.7146-172.664.70000112.7R599 L600 R601T597-R599 PolarHBondContact O-N 3.29Å; T597-L600 PolarHBondContact O-N 3.49Å; T597-L600 VanDerWaalsContact OG1-CB 3.31Å; T597-L600 WeakPolarHBondContact OG1-CB 3.31Å; T597-L600 WeakPolarHBondContact OG1-CD1 3.43Å; T597-L600 WeakPolarHBondContact OG1-CG 3.33Å; T597-L600 PolarHBondContact OG1-N 3.15Å; T597-R601 WeakPolarHBondContact O-CG 3.36Å; T597-R601 PolarHBondContact O-N 2.82Å
598A89Confident92.1Very high4 Ų426.6 Ų26.63%0.03314%0.142CC..Hα-helixtrans-57.5-39.3175.800000112.1R601 H602 Q657A598-R601 PolarHBondContact O-N 3.07Å; A598-H602 WeakPolarHBondContact O-CB 3.28Å; A598-H602 PolarHBondContact O-N 2.89Å; A598-Q657 HydrophobicContact CB-CB 3.59Å
599R89.8Confident92.1Very high43 Ų4326.6 Ų26.616%0.16214%0.142CC..Hα-helixtrans-61.7-46.1176.7-174.3178.3178.780.310.7112.2T597 H602 C603 C658 N697 L699T597-R599 PolarHBondContact O-N 3.29Å; R599-H602 PolarHBondContact O-N 2.87Å; R599-C603 WeakPolarHBondContact O-CB 2.99Å; R599-C603 PolarHBondContact O-N 3.14Å; R599-C603 PolarHBondContact O-SG 3.4Å; R599-C658 WeakPolarHBondContact CA-SG 3.39Å; R599-C658 PolarHBondContact N-SG 3.28Å; R599-C658 VanDerWaalsContact N-SG 3.37Å; R599-N697 WeakPolarHBondContact CD-OD1 3.46Å; R599-N697 PolarHBondContact NE-O 2.97Å; R599-N697 PolarHBondContact NE-OD1 3.05Å; R599-N697 PolarHBondContact NH2-O 2.9Å; R599-L699 PolarHBondContact NH2-O 3.16Å
600L89.7Confident92.1Very high1 Ų131.3 Ų31.31%0.00516%0.162CC..Hα-helixtrans-63.8-44.6176.4-73.7176.1000111.1D561 L595 T597 H602 S604 M668 L693 T696 N697D561-L600 HydrophobicContact CB-CD1 4.26Å; L595-L600 HydrophobicContact CB-CB 4.38Å; L595-L600 HydrophobicContact CD1-CB 4.3Å; T597-L600 PolarHBondContact O-N 3.49Å; T597-L600 VanDerWaalsContact OG1-CB 3.31Å; T597-L600 WeakPolarHBondContact OG1-CB 3.31Å; T597-L600 WeakPolarHBondContact OG1-CD1 3.43Å; T597-L600 WeakPolarHBondContact OG1-CG 3.33Å; T597-L600 PolarHBondContact OG1-N 3.15Å; L600-H602 VanDerWaalsContact C-N 3.33Å; L600-H602 PolarHBondContact O-N 3.05Å; L600-S604 WeakPolarHBondContact O-CB 3.41Å; L600-S604 PolarHBondContact O-N 3.47Å; L600-S604 PolarHBondContact O-OG 3.45Å; L600-M668 HydrophobicContact CD1-CE 4.08Å; L600-L693 HydrophobicContact CD1-CD1 4.01Å; L600-L693 HydrophobicContact CD2-CD1 3.75Å; L600-T696 HydrophobicContact CD2-CG2 4.48Å; L600-N697 HydrophobicContact CD2-CB 4.39Å
601R93.2Very high92.1Very high42 Ų4229.1 Ų29.116%0.15816%0.155CC..Hα-helixtrans-55.5-47.1175.2-70-168.7-64-905.5112.1L592 L595 S596 T597 A598 S604 S605 F650L592-R601 WeakPolarHBondContact O-CG 3.49Å; L595-R601 HydrophobicContact CB-CG 3.87Å; L595-R601 PolarHBondContact O-NH1 2.93Å; S596-R601 PolarHBondContact O-NH1 3.34Å; T597-R601 WeakPolarHBondContact O-CG 3.36Å; T597-R601 PolarHBondContact O-N 2.82Å; A598-R601 PolarHBondContact O-N 3.07Å; R601-S604 PolarHBondContact O-OG 3.17Å; R601-S604 VanDerWaalsContact O-OG 3.09Å; R601-S605 WeakPolarHBondContact O-CB 3.5Å; R601-S605 PolarHBondContact O-N 2.77Å; R601-S605 PolarHBondContact O-OG 2.87Å; R601-F650 HydrophobicContact CB-CE1 4.24Å; R601-F650 HydrophobicContact CB-CZ 3.78Å; R601-F650 HydrophobicContact CG-CZ 4Å
602H93.2Very high92.1Very high1 Ų129.9 Ų29.91%0.00516%0.158CC..Hα-helixtrans-66-58.9178.5175.470.9000112.6A598 R599 L600 S604 S605 S606 C651 A702A598-H602 WeakPolarHBondContact O-CB 3.28Å; A598-H602 PolarHBondContact O-N 2.89Å; R599-H602 PolarHBondContact O-N 2.87Å; L600-H602 VanDerWaalsContact C-N 3.33Å; L600-H602 PolarHBondContact O-N 3.05Å; H602-S604 VanDerWaalsContact C-N 3.3Å; H602-S604 PolarHBondContact O-N 2.87Å; H602-S605 PolarHBondContact O-N 2.91Å; H602-S606 WeakPolarHBondContact O-CB 3.37Å; H602-S606 PolarHBondContact O-N 3.38Å; H602-C651 PolarHBondContact ND1-O 3.2Å; H602-C651 PolarHBondContact ND1-SG 2.83Å; H602-C651 VanDerWaalsContact ND1-SG 3.41Å; H602-A702 PolarHBondContact NE2-N 3.4Å; H602-A702 VanDerWaalsContact NE2-N 3.13Å
603C91.9Very high92Very high1 Ų129.8 Ų29.81%0.00716%0.158CC..Hα-helixtrans-63.8-36.3-174.6-70.20000112R599 F607 T696 L699R599-C603 WeakPolarHBondContact O-CB 2.99Å; R599-C603 PolarHBondContact O-N 3.14Å; R599-C603 PolarHBondContact O-SG 3.4Å; C603-F607 VanDerWaalsContact O-CB 3.25Å; C603-F607 WeakPolarHBondContact O-CB 3.39Å; C603-F607 PolarHBondContact O-N 3.08Å; C603-T696 HydrophobicContact CB-CG2 3.71Å; C603-T696 WeakPolarHBondContact CB-O 3.21Å; C603-L699 HydrophobicContact CB-CB 4.4Å
604S93Very high91.9Very high1 Ų125.9 Ų25.91%0.00714%0.14CC..Hα-helixtrans-66.3-44.517660.30000111.8L565 L595 L600 R601 H602 S606 F607 V608 T696L565-S604 VanDerWaalsContact CD1-CB 3.45Å; L595-S604 WeakPolarHBondContact CD1-OG 3.34Å; L600-S604 WeakPolarHBondContact O-CB 3.41Å; L600-S604 PolarHBondContact O-N 3.47Å; L600-S604 PolarHBondContact O-OG 3.45Å; R601-S604 PolarHBondContact O-OG 3.17Å; R601-S604 VanDerWaalsContact O-OG 3.09Å; H602-S604 VanDerWaalsContact C-N 3.3Å; H602-S604 PolarHBondContact O-N 2.87Å; S604-S606 PolarHBondContact O-N 3.26Å; S604-F607 PolarHBondContact O-N 3.32Å; S604-F607 VanDerWaalsContact O-N 3.16Å; S604-V608 WeakPolarHBondContact O-CG2 3.39Å; S604-V608 PolarHBondContact O-N 3.34Å; S604-T696 VanDerWaalsContact N-CG2 3.33Å
605S94.2Very high91.7Very high1 Ų127.4 Ų27.41%0.00714%0.144CC..Hα-helixtrans-62.5-43.7176.6-58.10000111.8R601 H602 F607 V608 W609 F650R601-S605 WeakPolarHBondContact O-CB 3.5Å; R601-S605 PolarHBondContact O-N 2.77Å; R601-S605 PolarHBondContact O-OG 2.87Å; H602-S605 PolarHBondContact O-N 2.91Å; S605-F607 VanDerWaalsContact C-N 3.31Å; S605-F607 PolarHBondContact O-N 3.26Å; S605-V608 PolarHBondContact O-N 3.16Å; S605-W609 WeakPolarHBondContact O-CB 3.38Å; S605-W609 PolarHBondContact O-N 3.49Å; S605-F650 WeakPolarHBondContact OG-CD1 3.48Å; S605-F650 VanDerWaalsContact OG-CE1 3.3Å; S605-F650 WeakPolarHBondContact OG-CE1 3.43Å
606S92.8Very high91.5Very high11 Ų1127.4 Ų27.48%0.07714%0.144CC..Hα-helixtrans-61-39.9173.6-177.40000111.8H602 S604 W609 K610H602-S606 WeakPolarHBondContact O-CB 3.37Å; H602-S606 PolarHBondContact O-N 3.38Å; S604-S606 PolarHBondContact O-N 3.26Å; S606-W609 WeakPolarHBondContact O-CB 3.38Å; S606-W609 PolarHBondContact O-N 3.1Å; S606-K610 WeakPolarHBondContact O-CB 3.14Å; S606-K610 PolarHBondContact O-N 3.45Å
607F93.8Very high91.4Very high38 Ų3824 Ų2417%0.16712%0.12CC..Hα-helixtrans-71.3-40.5-179.7-165.8-147.6000112.8W569 C603 S604 S605 K610 T611 L692 L699W569-F607 HydrophobicContact CE3-CD1 4Å; W569-F607 HydrophobicContact CE3-CE1 4.2Å; W569-F607 AromaticContact CH2-CD1 3.54Å; W569-F607 HydrophobicContact CH2-CD1 3.54Å; W569-F607 HydrophobicContact CH2-CD2 4.23Å; W569-F607 AromaticContact CH2-CE1 3.2Å; W569-F607 HydrophobicContact CH2-CE1 3.2Å; W569-F607 AromaticContact CH2-CE2 3.96Å; W569-F607 HydrophobicContact CH2-CE2 3.96Å; W569-F607 HydrophobicContact CH2-CG 4.02Å; W569-F607 AromaticContact CH2-CZ 3.43Å; W569-F607 HydrophobicContact CH2-CZ 3.43Å; W569-F607 VanDerWaalsContact CH2-CZ 3.43Å; W569-F607 HydrophobicContact CZ2-CE1 4.04Å; W569-F607 HydrophobicContact CZ2-CZ 4.22Å; W569-F607 HydrophobicContact CZ3-CB 4.29Å; W569-F607 AromaticContact CZ3-CD1 3.13Å; W569-F607 HydrophobicContact CZ3-CD1 3.13Å; W569-F607 HydrophobicContact CZ3-CD2 4.3Å; W569-F607 AromaticContact CZ3-CE1 3.32Å; W569-F607 HydrophobicContact CZ3-CE1 3.32Å; W569-F607 HydrophobicContact CZ3-CE2 4.44Å; W569-F607 AromaticContact CZ3-CG 3.66Å; W569-F607 HydrophobicContact CZ3-CG 3.66Å; W569-F607 AromaticContact CZ3-CZ 3.99Å; W569-F607 HydrophobicContact CZ3-CZ 3.99Å; C603-F607 VanDerWaalsContact O-CB 3.25Å; C603-F607 WeakPolarHBondContact O-CB 3.39Å; C603-F607 PolarHBondContact O-N 3.08Å; S604-F607 PolarHBondContact O-N 3.32Å; S604-F607 VanDerWaalsContact O-N 3.16Å; S605-F607 VanDerWaalsContact C-N 3.31Å; S605-F607 PolarHBondContact O-N 3.26Å; F607-K610 PolarHBondContact O-N 2.86Å; F607-T611 WeakPolarHBondContact O-CB 3.22Å; F607-T611 PolarHBondContact O-N 3.41Å; F607-T611 PolarHBondContact O-OG1 2.68Å; F607-L692 HydrophobicContact CD1-CD1 4.19Å; F607-L692 HydrophobicContact CE1-CD1 3.69Å; F607-L699 HydrophobicContact CB-CD1 3.6Å; F607-L699 HydrophobicContact CD1-CD1 4.31Å; F607-L699 HydrophobicContact CD2-CD1 3.98Å; F607-L699 HydrophobicContact CG-CD1 3.72Å
608V94.1Very high91.4Very high2 Ų224.8 Ų24.81%0.01212%0.118CC..Hα-helixtrans-62.7-44172167.60000110.3W569 A572 L592 S604 S605 K610 T611 Y612 C613W569-V608 HydrophobicContact CE3-CG2 4.06Å; W569-V608 HydrophobicContact CZ3-CG2 4.32Å; A572-V608 HydrophobicContact CB-CG1 3.71Å; A572-V608 HydrophobicContact CB-CG2 4.37Å; L592-V608 HydrophobicContact CD1-CB 4.49Å; L592-V608 HydrophobicContact CD1-CG2 4.14Å; S604-V608 WeakPolarHBondContact O-CG2 3.39Å; S604-V608 PolarHBondContact O-N 3.34Å; S605-V608 PolarHBondContact O-N 3.16Å; V608-K610 PolarHBondContact O-N 3.41Å; V608-T611 PolarHBondContact O-N 3.18Å; V608-Y612 PolarHBondContact O-N 3.43Å; V608-C613 PolarHBondContact O-N 3.46Å
609W94Very high91.2Very high3 Ų325.8 Ų25.81%0.01112%0.122CC..Iπ-helixtrans-55.1-54.4174.8172.5-91.5000111.4S605 S606 T611 C613 C614 A617 L644 L647 I648 H710 L714 L750S605-W609 WeakPolarHBondContact O-CB 3.38Å; S605-W609 PolarHBondContact O-N 3.49Å; S606-W609 WeakPolarHBondContact O-CB 3.38Å; S606-W609 PolarHBondContact O-N 3.1Å; W609-T611 VanDerWaalsContact C-N 3.28Å; W609-T611 PolarHBondContact O-N 3.26Å; W609-C613 HydrophobicContact CD2-CB 4.22Å; W609-C613 HydrophobicContact CE3-CB 3.74Å; W609-C613 HydrophobicContact CZ3-CB 4.29Å; W609-C613 CarbonylContact O-C 3.47Å; W609-C613 PolarHBondContact O-N 3.37Å; W609-C613 VanDerWaalsContact O-N 3.11Å; W609-C614 WeakPolarHBondContact O-CB 3.42Å; W609-C614 PolarHBondContact O-N 2.94Å; W609-A617 HydrophobicContact CH2-CB 3.63Å; W609-A617 HydrophobicContact CZ2-CB 4.09Å; W609-A617 HydrophobicContact CZ3-CB 4.31Å; W609-L644 HydrophobicContact CE3-CD2 4.37Å; W609-L644 HydrophobicContact CZ3-CB 4.22Å; W609-L644 HydrophobicContact CZ3-CD2 3.93Å; W609-L644 HydrophobicContact CZ3-CG 4.49Å; W609-L647 HydrophobicContact CE3-CD2 4.32Å; W609-I648 HydrophobicContact CD2-CD1 3.65Å; W609-I648 HydrophobicContact CD2-CG1 4.42Å; W609-I648 HydrophobicContact CE3-CD1 3.54Å; W609-I648 HydrophobicContact CE3-CG1 3.84Å; W609-I648 HydrophobicContact CG-CD1 4.15Å; W609-I648 HydrophobicContact CH2-CD1 4.34Å; W609-I648 HydrophobicContact CH2-CG1 4.23Å; W609-I648 HydrophobicContact CZ2-CD1 4.45Å; W609-I648 HydrophobicContact CZ3-CD1 3.89Å; W609-I648 HydrophobicContact CZ3-CG1 3.72Å; W609-H710 AromaticContact CZ2-CD2 3.78Å; W609-L714 HydrophobicContact CH2-CD1 4.02Å; W609-L714 HydrophobicContact CZ3-CD1 4.1Å; W609-L750 HydrophobicContact CB-CD1 4.23Å; W609-L750 HydrophobicContact CG-CD1 3.9Å
610K92.1Very high90.9Very high107 Ų10723.7 Ų23.747%0.46512%0.115SC..Iπ-helixtrans-60.6-35.9-177.8-178.5174.4178.9172.30113.1S606 F607 V608 D749S606-K610 WeakPolarHBondContact O-CB 3.14Å; S606-K610 PolarHBondContact O-N 3.45Å; F607-K610 PolarHBondContact O-N 2.86Å; V608-K610 PolarHBondContact O-N 3.41Å; K610-D749 IonicContact NZ-OD2 2.71Å; K610-D749 PolarHBondContact NZ-OD2 3.22Å
611T92.2Very high90.6Very high49 Ų4923.7 Ų23.730%0.30111%0.114SC..Iπ-helixtrans-92.3-37.8-170.8-49.50000112.9W569 F607 V608 W609W569-T611 HydrophobicContact CH2-CG2 3.76Å; W569-T611 WeakPolarHBondContact CH2-OG1 3.36Å; W569-T611 HydrophobicContact CZ2-CG2 3.95Å; F607-T611 WeakPolarHBondContact O-CB 3.22Å; F607-T611 PolarHBondContact O-N 3.41Å; F607-T611 PolarHBondContact O-OG1 2.68Å; V608-T611 PolarHBondContact O-N 3.18Å; W609-T611 VanDerWaalsContact C-N 3.28Å; W609-T611 PolarHBondContact O-N 3.26Å
612Y92.9Very high89.9Confident25 Ų2525.1 Ų25.110%0.09812%0.124CC..Iπ-helixtrans-121.6-30.8-168.8-64-54.3000113.8W569 A572 S573 H576 V608W569-Y612 AromaticContact CD2-CE2 3.8Å; W569-Y612 HydrophobicContact CD2-CE2 3.8Å; W569-Y612 AromaticContact CE2-CE2 3.62Å; W569-Y612 AromaticContact CE2-CZ 3.87Å; W569-Y612 VanDerWaalsContact CE2-OH 3.31Å; W569-Y612 HydrophobicContact CE3-CE2 4.04Å; W569-Y612 HydrophobicContact CG-CE2 4.36Å; W569-Y612 AromaticContact CH2-CE2 3.99Å; W569-Y612 HydrophobicContact CH2-CE2 3.99Å; W569-Y612 AromaticContact CZ2-CE2 3.75Å; W569-Y612 HydrophobicContact CZ2-CE2 3.75Å; W569-Y612 AromaticContact CZ2-CZ 3.92Å; W569-Y612 HydrophobicContact CZ3-CE2 4.11Å; W569-Y612 AromaticContact NE1-CZ 3.97Å; W569-Y612 PolarHBondContact NE1-OH 2.69Å; A572-Y612 HydrophobicContact CB-CD2 3.72Å; A572-Y612 HydrophobicContact CB-CE2 4.32Å; A572-Y612 HydrophobicContact CB-CG 4.36Å; S573-Y612 WeakPolarHBondContact CB-OH 3.43Å; H576-Y612 HydrophobicContact CB-CD1 3.74Å; H576-Y612 HydrophobicContact CB-CG 4.26Å; H576-Y612 AromaticContact CG-CD1 3.94Å; H576-Y612 PolarHBondContact ND1-O 2.91Å; V608-Y612 PolarHBondContact O-N 3.43Å
613C92Very high88.6Confident0 Ų027.1 Ų27.10%014%0.138CC..Iπ-helixtrans-96.5-33.3-173.1-51.90000114.1W575 V608 W609 D615 I616 A617 L644W575-C613 HydrophobicContact CZ3-CB 4.22Å; V608-C613 PolarHBondContact O-N 3.46Å; W609-C613 HydrophobicContact CD2-CB 4.22Å; W609-C613 HydrophobicContact CE3-CB 3.74Å; W609-C613 HydrophobicContact CZ3-CB 4.29Å; W609-C613 CarbonylContact O-C 3.47Å; W609-C613 PolarHBondContact O-N 3.37Å; W609-C613 VanDerWaalsContact O-N 3.11Å; C613-D615 PolarHBondContact O-N 3.01Å; C613-I616 PolarHBondContact O-N 2.93Å; C613-A617 WeakPolarHBondContact O-CB 3.3Å; C613-A617 PolarHBondContact O-N 3.3Å; C613-L644 HydrophobicContact CB-CD2 3.61Å
614C90.6Very high87.2Confident11 Ų1131.2 Ų31.27%0.07416%0.16CC..Hα-helixtrans-59.3-43.8-168.6-170.30000112.8W609 A617 K618 F747W609-C614 WeakPolarHBondContact O-CB 3.42Å; W609-C614 PolarHBondContact O-N 2.94Å; C614-A617 WeakPolarHBondContact O-CB 3.3Å; C614-A617 PolarHBondContact O-N 3.13Å; C614-K618 WeakPolarHBondContact O-CB 3.39Å; C614-K618 PolarHBondContact O-N 3.48Å; C614-F747 VanDerWaalsContact SG-C 3.6Å; C614-F747 VanDerWaalsContact SG-CA 3.55Å; C614-F747 PolarHBondContact SG-O 3.38Å; C614-F747 VanDerWaalsContact SG-O 3.4Å
615D87.7Confident85.5Confident96 Ų9638 Ų3851%0.51320%0.196SC..Hα-helixtrans-68-43.1179.8-64.7-31.1000111.8C613 A617 K618 L619C613-D615 PolarHBondContact O-N 3.01Å; D615-A617 VanDerWaalsContact C-N 3.32Å; D615-A617 PolarHBondContact O-N 2.55Å; D615-K618 WeakPolarHBondContact O-CB 3.37Å; D615-K618 PolarHBondContact O-N 3.34Å; D615-L619 WeakPolarHBondContact O-CD1 3.13Å; D615-L619 WeakPolarHBondContact O-CG 3.47Å; D615-L619 PolarHBondContact O-N 3.18Å; D615-L619 VanDerWaalsContact O-N 3.15Å
616I86.9Confident83.8Confident2 Ų245.8 Ų45.81%0.0123%0.232CC..Hα-helixtrans-64.1-41.2175.2-63.1171.9000110.3W575 F579 C613 K618 L619 L620 F633 I640W575-I616 HydrophobicContact CE3-CD1 4.3Å; W575-I616 HydrophobicContact CH2-CB 4.17Å; W575-I616 HydrophobicContact CH2-CD1 3.59Å; W575-I616 HydrophobicContact CH2-CG1 4.47Å; W575-I616 HydrophobicContact CH2-CG2 4.03Å; W575-I616 HydrophobicContact CZ2-CD1 4.06Å; W575-I616 HydrophobicContact CZ2-CG2 4.25Å; W575-I616 HydrophobicContact CZ3-CD1 3.73Å; F579-I616 HydrophobicContact CB-CD1 3.87Å; F579-I616 HydrophobicContact CG-CD1 4.35Å; C613-I616 PolarHBondContact O-N 2.93Å; I616-K618 VanDerWaalsContact C-N 3.33Å; I616-K618 PolarHBondContact O-N 2.92Å; I616-L619 PolarHBondContact O-N 3.38Å; I616-L620 PolarHBondContact O-N 3.38Å; I616-F633 HydrophobicContact CG2-CE1 4.34Å; I616-I640 HydrophobicContact CG2-CG2 4.28Å
617A88.5Confident82Confident0 Ų052.5 Ų52.50%026%0.26CS..Hα-helixtrans-60.3-44.5175.500000110.9W609 C613 C614 D615 L619 L620 F621 L644 F747W609-A617 HydrophobicContact CH2-CB 3.63Å; W609-A617 HydrophobicContact CZ2-CB 4.09Å; W609-A617 HydrophobicContact CZ3-CB 4.31Å; C613-A617 WeakPolarHBondContact O-CB 3.3Å; C613-A617 PolarHBondContact O-N 3.3Å; C614-A617 WeakPolarHBondContact O-CB 3.3Å; C614-A617 PolarHBondContact O-N 3.13Å; D615-A617 VanDerWaalsContact C-N 3.32Å; D615-A617 PolarHBondContact O-N 2.55Å; A617-L619 VanDerWaalsContact C-N 3.28Å; A617-L619 PolarHBondContact O-N 3.29Å; A617-L620 WeakPolarHBondContact O-CB 3.43Å; A617-L620 PolarHBondContact O-N 3.4Å; A617-F621 VanDerWaalsContact O-CD2 3.29Å; A617-F621 WeakPolarHBondContact O-CD2 3.47Å; A617-L644 HydrophobicContact CB-CD1 3.93Å; A617-F747 HydrophobicContact CB-CD1 4.37Å; A617-F747 HydrophobicContact CB-CE1 4.2Å
618K88Confident80.4Confident83 Ų8354.6 Ų54.636%0.36127%0.269SS..Hα-helixtrans-57.5-42177.3-172.9-174.7173.5-161.20112C614 D615 I616 L620 F621 I622 F747C614-K618 WeakPolarHBondContact O-CB 3.39Å; C614-K618 PolarHBondContact O-N 3.48Å; D615-K618 WeakPolarHBondContact O-CB 3.37Å; D615-K618 PolarHBondContact O-N 3.34Å; I616-K618 VanDerWaalsContact C-N 3.33Å; I616-K618 PolarHBondContact O-N 2.92Å; K618-L620 VanDerWaalsContact C-N 3.3Å; K618-L620 PolarHBondContact O-N 3.33Å; K618-F621 PolarHBondContact O-N 3.21Å; K618-F621 VanDerWaalsContact O-N 3.09Å; K618-I622 PolarHBondContact O-N 3.27Å; K618-F747 VanDerWaalsContact CA-CE1 3.42Å; K618-F747 HydrophobicContact CB-CB 4.27Å; K618-F747 HydrophobicContact CB-CD1 3.71Å; K618-F747 HydrophobicContact CB-CD2 4.36Å; K618-F747 HydrophobicContact CB-CE1 4.14Å; K618-F747 HydrophobicContact CB-CG 3.83Å; K618-F747 HydrophobicContact CG-CB 4.37Å; K618-F747 HydrophobicContact CG-CD1 4.31Å; K618-F747 HydrophobicContact CG-CD2 4.06Å; K618-F747 HydrophobicContact CG-CE2 4.46Å; K618-F747 HydrophobicContact CG-CG 3.97Å
619L83.7Confident79Confident24 Ų2459 Ų5913%0.12629%0.293CS..Hα-helixtrans-67.1-27.8-179.2-68.3161.7000113.8D615 I616 A617 F621 I622 D624 F628 F633D615-L619 WeakPolarHBondContact O-CD1 3.13Å; D615-L619 WeakPolarHBondContact O-CG 3.47Å; D615-L619 PolarHBondContact O-N 3.18Å; D615-L619 VanDerWaalsContact O-N 3.15Å; I616-L619 PolarHBondContact O-N 3.38Å; A617-L619 VanDerWaalsContact C-N 3.28Å; A617-L619 PolarHBondContact O-N 3.29Å; L619-F621 PolarHBondContact O-N 3.35Å; L619-I622 WeakPolarHBondContact CA-O 3.33Å; L619-D624 HydrophobicContact CD2-CB 4Å; L619-F628 HydrophobicContact CD1-CD2 3.23Å; L619-F628 HydrophobicContact CD1-CE2 3.17Å; L619-F628 HydrophobicContact CD1-CG 4.06Å; L619-F628 HydrophobicContact CD1-CZ 3.94Å; L619-F628 HydrophobicContact CD2-CD2 4.1Å; L619-F628 HydrophobicContact CG-CD2 4.27Å; L619-F628 HydrophobicContact CG-CE2 4.47Å; L619-F633 HydrophobicContact CB-CE2 4.31Å; L619-F633 HydrophobicContact CB-CZ 4Å
620L83.5Confident77.8Confident0 Ų063.1 Ų63.10%031%0.312CS..Hα-helixtrans-62.4-33173.1-67162.1000111I616 A617 K618 F633 I640 L641 L644 Y726 F728 G729I616-L620 PolarHBondContact O-N 3.38Å; A617-L620 WeakPolarHBondContact O-CB 3.43Å; A617-L620 PolarHBondContact O-N 3.4Å; K618-L620 VanDerWaalsContact C-N 3.3Å; K618-L620 PolarHBondContact O-N 3.33Å; L620-F633 HydrophobicContact CD2-CD1 3.33Å; L620-F633 HydrophobicContact CD2-CE1 3.51Å; L620-F633 HydrophobicContact CD2-CG 4.34Å; L620-F633 HydrophobicContact CG-CD1 4.28Å; L620-F633 HydrophobicContact CG-CE1 3.98Å; L620-I640 HydrophobicContact CD1-CG2 3.94Å; L620-L641 HydrophobicContact CB-CD2 4.31Å; L620-L641 HydrophobicContact CD1-CD2 3.6Å; L620-L641 HydrophobicContact CD1-CG 3.93Å; L620-L641 HydrophobicContact CD2-CG 4.46Å; L620-L641 HydrophobicContact CG-CD2 4.42Å; L620-L644 HydrophobicContact CD1-CD1 3.76Å; L620-Y726 PolarHBondContact O-OH 3.05Å; L620-F728 HydrophobicContact CD2-CD1 3.62Å; L620-F728 HydrophobicContact CD2-CE1 3.94Å; L620-G729 PolarHBondContact O-N 3.29Å
621F83.9Confident77.1Confident1 Ų160.1 Ų60.10%0.00431%0.305CS..Hα-helixtrans-98.5-36.5-177.4-67.6-93.2000114.4A617 K618 L619 L641 L713 L714 A717 G729 G731 S732 L734 I735 F747A617-F621 VanDerWaalsContact O-CD2 3.29Å; A617-F621 WeakPolarHBondContact O-CD2 3.47Å; K618-F621 PolarHBondContact O-N 3.21Å; K618-F621 VanDerWaalsContact O-N 3.09Å; L619-F621 PolarHBondContact O-N 3.35Å; F621-L641 HydrophobicContact CE2-CD2 4.42Å; F621-L713 HydrophobicContact CD1-CD1 4.17Å; F621-L713 HydrophobicContact CD1-CG 4.46Å; F621-L713 HydrophobicContact CE1-CD1 3.55Å; F621-L713 HydrophobicContact CE1-CD2 4.19Å; F621-L713 HydrophobicContact CE1-CG 3.67Å; F621-L713 HydrophobicContact CE2-CD2 4.32Å; F621-L713 HydrophobicContact CE2-CG 4.32Å; F621-L713 HydrophobicContact CZ-CD1 4.04Å; F621-L713 HydrophobicContact CZ-CD2 4.06Å; F621-L713 HydrophobicContact CZ-CG 3.6Å; F621-L714 HydrophobicContact CE2-CD2 4.24Å; F621-A717 HydrophobicContact CE1-CB 3.75Å; F621-A717 HydrophobicContact CZ-CB 3.54Å; F621-G729 CarbonylContact O-C 3.41Å; F621-G731 CarbonylContact O-C 3.43Å; F621-G731 VanDerWaalsContact O-CA 3.3Å; F621-G731 WeakPolarHBondContact O-CA 3.36Å; F621-G731 PolarHBondContact O-N 3.29Å; F621-S732 PolarHBondContact O-N 3.43Å; F621-L734 HydrophobicContact CE1-CB 4.46Å; F621-L734 HydrophobicContact CE1-CD1 4.17Å; F621-I735 HydrophobicContact CB-CD1 4.22Å; F621-I735 HydrophobicContact CD1-CG1 4.34Å; F621-F747 HydrophobicContact CB-CZ 4Å; F621-F747 AromaticContact CD2-CE1 3.98Å; F621-F747 HydrophobicContact CD2-CE1 3.98Å; F621-F747 AromaticContact CD2-CZ 3.59Å; F621-F747 HydrophobicContact CD2-CZ 3.59Å; F621-F747 HydrophobicContact CE2-CE1 4.46Å; F621-F747 HydrophobicContact CE2-CZ 4.29Å; F621-F747 AromaticContact CG-CZ 3.93Å; F621-F747 HydrophobicContact CG-CZ 3.93Å
622I79.7Confident76.4Confident72 Ų7259.8 Ų59.837%0.36930%0.301SS..BIsolated β-bridgetrans-126.5116-173.1-55.3173.8000108K618 L619 D624 G729 I735 F747K618-I622 PolarHBondContact O-N 3.27Å; L619-I622 WeakPolarHBondContact CA-O 3.33Å; I622-D624 PolarHBondContact O-N 3.15Å; I622-G729 CarbonylContact C-O 3.58Å; I622-I735 HydrophobicContact CD1-CD1 4.28Å; I622-I735 HydrophobicContact CG1-CD1 4.29Å; I622-F747 HydrophobicContact CD1-CE2 4.46Å
623C65.8Low75.8Confident42 Ų4259 Ų5928%0.28430%0.298SS..  trans-67.9122.8175.2-160.30000110.5D625 H630 G729C623-D625 PolarHBondContact SG-OD1 2.77Å; C623-H630 PolarHBondContact SG-CE1 3.25Å; C623-H630 PolarHBondContact SG-NE2 3.34Å; C623-H630 VanDerWaalsContact SG-NE2 3.38Å; C623-G729 WeakPolarHBondContact CB-O 3.35Å; C623-G729 PolarHBondContact N-O 3.48Å
624D62.3Low75.1Confident87 Ų8766.1 Ų66.147%0.46533%0.331SS..  trans-113102.3162.5-124.5-27.1000105.7L619 I622 E626L619-D624 HydrophobicContact CD2-CB 4Å; I622-D624 PolarHBondContact O-N 3.15Å; D624-E626 PolarHBondContact O-N 2.8Å
625D56.7Low74.7Confident143 Ų14372.5 Ų72.577%0.76536%0.36SS*.THydrogen-bonded Turntrans-59.6-12.7-170-68.2-24.8000113.6C623C623-D625 PolarHBondContact SG-OD1 2.77Å
626E57.9Low74.7Confident165 Ų16570.9 Ų70.977%0.77135%0.349SS*.THydrogen-bonded Turntrans-84.8-17.7-170.1-67.3-168165.600115.1D624D624-E626 PolarHBondContact O-N 2.8Å
627F54.9Low74.6Confident152 Ų15270.8 Ų70.867%0.66735%0.349SS*.THydrogen-bonded Turntrans-124.6-17.7-164-82.1-86.7000118.5
628F61.4Low74.6Confident82 Ų8276 Ų7636%0.3637%0.371SS..  trans-142.6147.7-169.7-68.6-84.1000115.8F579 L619 H630 F633F579-F628 HydrophobicContact CD1-CE1 4.11Å; F579-F628 AromaticContact CE1-CD1 3.45Å; F579-F628 HydrophobicContact CE1-CD1 3.45Å; F579-F628 VanDerWaalsContact CE1-CD1 3.45Å; F579-F628 AromaticContact CE1-CE1 3.38Å; F579-F628 HydrophobicContact CE1-CE1 3.38Å; F579-F628 AromaticContact CZ-CD1 3.47Å; F579-F628 HydrophobicContact CZ-CD1 3.47Å; F579-F628 VanDerWaalsContact CZ-CD1 3.47Å; F579-F628 AromaticContact CZ-CE1 3.9Å; F579-F628 HydrophobicContact CZ-CE1 3.9Å; L619-F628 HydrophobicContact CD1-CD2 3.23Å; L619-F628 HydrophobicContact CD1-CE2 3.17Å; L619-F628 HydrophobicContact CD1-CG 4.06Å; L619-F628 HydrophobicContact CD1-CZ 3.94Å; L619-F628 HydrophobicContact CD2-CD2 4.1Å; L619-F628 HydrophobicContact CG-CD2 4.27Å; L619-F628 HydrophobicContact CG-CE2 4.47Å; F628-H630 PolarHBondContact O-N 3.26Å; F628-F633 HydrophobicContact CB-CE2 3.98Å; F628-F633 HydrophobicContact CG-CE2 4.45Å
629D64.7Low74.7Confident96 Ų9674 Ų7451%0.51337%0.371SS..  trans-80.2109.8179-168.6-19.6000110.3S631 I632D629-S631 PolarHBondContact O-N 2.9Å; D629-S631 VanDerWaalsContact OD1-CB 3.31Å; D629-S631 WeakPolarHBondContact OD1-CB 3.5Å; D629-S631 PolarHBondContact OD1-N 3.48Å; D629-S631 VanDerWaalsContact OD1-N 3.08Å; D629-S631 PolarHBondContact OD1-OG 3.37Å; D629-S631 PolarHBondContact OD2-OG 3.47Å; D629-I632 HydrophobicContact CB-CD1 4.05Å; D629-I632 HydrophobicContact CB-CG1 4.16Å; D629-I632 PolarHBondContact O-N 3.11Å
630H69.3Low75.1Confident88 Ų8872.9 Ų72.941%0.40737%0.365SS..Hα-helixtrans-51.2-30.3177.8-82.5-62000113.3C623 F628 I632 F633 E634C623-H630 PolarHBondContact SG-CE1 3.25Å; C623-H630 PolarHBondContact SG-NE2 3.34Å; C623-H630 VanDerWaalsContact SG-NE2 3.38Å; F628-H630 PolarHBondContact O-N 3.26Å; H630-I632 VanDerWaalsContact C-N 3.25Å; H630-I632 PolarHBondContact O-N 3.04Å; H630-F633 PolarHBondContact O-N 3.11Å; H630-E634 PolarHBondContact O-N 3.37Å
631S75.3Confident75.4Confident44 Ų4472.9 Ų72.931%0.30837%0.365SS..Hα-helixtrans-61.9-32.8-179.868.50000112.9D629 E634 Q635D629-S631 PolarHBondContact O-N 2.9Å; D629-S631 VanDerWaalsContact OD1-CB 3.31Å; D629-S631 WeakPolarHBondContact OD1-CB 3.5Å; D629-S631 PolarHBondContact OD1-N 3.48Å; D629-S631 VanDerWaalsContact OD1-N 3.08Å; D629-S631 PolarHBondContact OD1-OG 3.37Å; D629-S631 PolarHBondContact OD2-OG 3.47Å; S631-E634 PolarHBondContact O-N 2.95Å; S631-Q635 WeakPolarHBondContact O-CG 3.5Å; S631-Q635 PolarHBondContact O-N 3.24Å; S631-Q635 VanDerWaalsContact O-N 3.15Å
632I78.6Confident75.8Confident43 Ų4375 Ų7522%0.22138%0.378CS..Hα-helixtrans-70.1-40.3179.4-57.8175.8000110.1F579 A580 D629 H630 Q635 H636F579-I632 HydrophobicContact CD2-CG2 4.08Å; F579-I632 HydrophobicContact CE2-CB 4.12Å; F579-I632 HydrophobicContact CE2-CG2 3.44Å; F579-I632 VanDerWaalsContact CE2-CG2 3.44Å; F579-I632 HydrophobicContact CZ-CB 4.42Å; F579-I632 HydrophobicContact CZ-CD1 4.05Å; F579-I632 HydrophobicContact CZ-CG2 4.04Å; A580-I632 HydrophobicContact CB-CG2 3.89Å; D629-I632 HydrophobicContact CB-CD1 4.05Å; D629-I632 HydrophobicContact CB-CG1 4.16Å; D629-I632 PolarHBondContact O-N 3.11Å; H630-I632 VanDerWaalsContact C-N 3.25Å; H630-I632 PolarHBondContact O-N 3.04Å; I632-Q635 PolarHBondContact O-N 3.31Å; I632-H636 WeakPolarHBondContact O-CB 3.39Å; I632-H636 PolarHBondContact O-N 2.82Å
633F79.6Confident76.5Confident7 Ų773.3 Ų73.33%0.03137%0.369CS..Hα-helixtrans-70.1-36.2177.3-73.9-62.6000112.3F579 I616 L619 L620 F628 H630 Q635 G637 I640 F728F579-F633 HydrophobicContact CE2-CE1 4.23Å; F579-F633 HydrophobicContact CE2-CE2 4.45Å; F579-F633 HydrophobicContact CE2-CZ 4.09Å; I616-F633 HydrophobicContact CG2-CE1 4.34Å; L619-F633 HydrophobicContact CB-CE2 4.31Å; L619-F633 HydrophobicContact CB-CZ 4Å; L620-F633 HydrophobicContact CD2-CD1 3.33Å; L620-F633 HydrophobicContact CD2-CE1 3.51Å; L620-F633 HydrophobicContact CD2-CG 4.34Å; L620-F633 HydrophobicContact CG-CD1 4.28Å; L620-F633 HydrophobicContact CG-CE1 3.98Å; F628-F633 HydrophobicContact CB-CE2 3.98Å; F628-F633 HydrophobicContact CG-CE2 4.45Å; H630-F633 PolarHBondContact O-N 3.11Å; F633-Q635 VanDerWaalsContact C-N 3.27Å; F633-Q635 PolarHBondContact O-N 3.01Å; F633-G637 WeakPolarHBondContact O-CA 3.32Å; F633-G637 PolarHBondContact O-N 2.86Å; F633-I640 HydrophobicContact CE1-CD1 4.49Å; F633-F728 HydrophobicContact CB-CB 3.86Å; F633-F728 HydrophobicContact CB-CD1 4.48Å; F633-F728 HydrophobicContact CB-CD2 4.32Å; F633-F728 HydrophobicContact CB-CG 3.98Å; F633-F728 VanDerWaalsContact O-CD2 3.32Å; F633-F728 WeakPolarHBondContact O-CD2 3.48Å; F633-F728 WeakPolarHBondContact O-CE2 3.35Å
634E78.8Confident77.8Confident151 Ų15171.3 Ų71.371%0.70636%0.356SS*.Hα-helixtrans-61.5-37.5172.6-71.1-178.6173.700112.1H630 S631H630-E634 PolarHBondContact O-N 3.37Å; S631-E634 PolarHBondContact O-N 2.95Å
635Q82.3Confident79.4Confident144 Ų14468 Ų6867%0.67334%0.337SS*.Hα-helixtrans-82-40-179.1-68.8177.519.300113.7S631 I632 F633S631-Q635 WeakPolarHBondContact O-CG 3.5Å; S631-Q635 PolarHBondContact O-N 3.24Å; S631-Q635 VanDerWaalsContact O-N 3.15Å; I632-Q635 PolarHBondContact O-N 3.31Å; F633-Q635 VanDerWaalsContact C-N 3.27Å; F633-Q635 PolarHBondContact O-N 3.01Å
636H85.9Confident81.2Confident63 Ų6365.3 Ų65.329%0.29232%0.32SS..Hα-helixtrans-121.3-9.4-168.7-60.6-61.6000114.3V582 I632 K638 A639 I640V582-H636 HydrophobicContact CG2-CB 3.97Å; I632-H636 WeakPolarHBondContact O-CB 3.39Å; I632-H636 PolarHBondContact O-N 2.82Å; H636-K638 VanDerWaalsContact C-N 3.34Å; H636-K638 PolarHBondContact O-N 3.47Å; H636-A639 PolarHBondContact O-N 3.32Å; H636-I640 HydrophobicContact CB-CD1 4.25Å; H636-I640 WeakPolarHBondContact O-CG1 3.4Å; H636-I640 PolarHBondContact O-N 3.07Å
637G86.4Confident83Confident0 Ų057.5 Ų57.50%028%0.284CS..Hα-helixtrans-59-39.3-171.900000113.9F633 A639 I640 L641F633-G637 WeakPolarHBondContact O-CA 3.32Å; F633-G637 PolarHBondContact O-N 2.86Å; G637-A639 PolarHBondContact O-N 2.88Å; G637-I640 PolarHBondContact O-N 3.42Å; G637-L641 WeakPolarHBondContact O-CB 3.34Å; G637-L641 WeakPolarHBondContact O-CG 3.21Å; G637-L641 PolarHBondContact O-N 3.46Å
638K88.4Confident84.9Confident109 Ų10950.3 Ų50.347%0.47425%0.252SS..Hα-helixtrans-63.1-42175.4-179.7178.5170177.60111.9H636 L641 C642 C721 D722H636-K638 VanDerWaalsContact C-N 3.34Å; H636-K638 PolarHBondContact O-N 3.47Å; K638-L641 PolarHBondContact O-N 2.85Å; K638-C642 WeakPolarHBondContact O-CB 3.42Å; K638-C642 PolarHBondContact O-N 3.43Å; K638-C721 HydrophobicContact CD-CB 4.28Å; K638-C721 HydrophobicContact CG-CB 4.21Å; K638-D722 WeakPolarHBondContact CE-OD1 3.5Å; K638-D722 IonicContact NZ-OD1 3.85Å; K638-D722 PolarHBondContact NZ-OD1 2.71Å
639A90Very high86.4Confident42 Ų4248 Ų4835%0.34725%0.245SC..Hα-helixtrans-69.4-38.3179.200000111.2V582 H636 G637 C642 H643V582-A639 HydrophobicContact CB-CB 4.46Å; V582-A639 HydrophobicContact CG1-CB 3.86Å; V582-A639 HydrophobicContact CG2-CB 4.21Å; H636-A639 PolarHBondContact O-N 3.32Å; G637-A639 PolarHBondContact O-N 2.88Å; A639-C642 WeakPolarHBondContact O-CB 3.47Å; A639-C642 PolarHBondContact O-N 2.96Å; A639-H643 PolarHBondContact O-N 2.69Å; A639-H643 VanDerWaalsContact O-N 3.11Å
640I90.5Very high87.9Confident0 Ų044.9 Ų44.90%023%0.227CC..Hα-helixtrans-60.3-51172.2-65.5167000110.3W575 F579 V582 I616 L620 F633 H636 G637 C642 H643 L644W575-I640 HydrophobicContact CZ2-CG2 3.94Å; F579-I640 HydrophobicContact CD2-CD1 3.98Å; V582-I640 HydrophobicContact CG2-CG1 3.79Å; I616-I640 HydrophobicContact CG2-CG2 4.28Å; L620-I640 HydrophobicContact CD1-CG2 3.94Å; F633-I640 HydrophobicContact CE1-CD1 4.49Å; H636-I640 HydrophobicContact CB-CD1 4.25Å; H636-I640 WeakPolarHBondContact O-CG1 3.4Å; H636-I640 PolarHBondContact O-N 3.07Å; G637-I640 PolarHBondContact O-N 3.42Å; I640-C642 PolarHBondContact O-N 3.21Å; I640-H643 PolarHBondContact O-N 3.35Å; I640-L644 HydrophobicContact CG2-CD1 3.78Å; I640-L644 HydrophobicContact CG2-CG 4.08Å; I640-L644 WeakPolarHBondContact O-CB 3.42Å; I640-L644 VanDerWaalsContact O-CG 3.28Å; I640-L644 WeakPolarHBondContact O-CG 3.31Å; I640-L644 PolarHBondContact O-N 3.01Å
641L90.8Very high89.1Confident0 Ų040.8 Ų40.80%021%0.208CC..Hα-helixtrans-54.7-39.4176-78.3173.4000111.8L620 F621 G637 K638 L644 H645 L714 A717 L718 Y726 F728L620-L641 HydrophobicContact CB-CD2 4.31Å; L620-L641 HydrophobicContact CD1-CD2 3.6Å; L620-L641 HydrophobicContact CD1-CG 3.93Å; L620-L641 HydrophobicContact CD2-CG 4.46Å; L620-L641 HydrophobicContact CG-CD2 4.42Å; F621-L641 HydrophobicContact CE2-CD2 4.42Å; G637-L641 WeakPolarHBondContact O-CB 3.34Å; G637-L641 WeakPolarHBondContact O-CG 3.21Å; G637-L641 PolarHBondContact O-N 3.46Å; K638-L641 PolarHBondContact O-N 2.85Å; L641-L644 PolarHBondContact O-N 2.7Å; L641-H645 VanDerWaalsContact O-CB 3.29Å; L641-H645 WeakPolarHBondContact O-CB 3.3Å; L641-H645 PolarHBondContact O-N 3.45Å; L641-L714 HydrophobicContact CD2-CD2 3.96Å; L641-A717 HydrophobicContact CD1-CB 3.87Å; L641-A717 HydrophobicContact CD2-CB 3.97Å; L641-L718 HydrophobicContact CB-CD2 3.6Å; L641-L718 HydrophobicContact CB-CG 4.02Å; L641-Y726 HydrophobicContact CD1-CE1 4.22Å; L641-F728 HydrophobicContact CD1-CE1 3.85Å
642C92.7Very high90Very high44 Ų4439.3 Ų39.330%0.29720%0.197SC..Hα-helixtrans-63.1-48.4179.5-173.20000111.4K638 A639 I640 H645 Q646 L718K638-C642 WeakPolarHBondContact O-CB 3.42Å; K638-C642 PolarHBondContact O-N 3.43Å; A639-C642 WeakPolarHBondContact O-CB 3.47Å; A639-C642 PolarHBondContact O-N 2.96Å; I640-C642 PolarHBondContact O-N 3.21Å; C642-H645 WeakPolarHBondContact O-CB 3.4Å; C642-H645 PolarHBondContact O-N 2.9Å; C642-Q646 VanDerWaalsContact O-CG 3.25Å; C642-Q646 WeakPolarHBondContact O-CG 3.25Å; C642-Q646 PolarHBondContact O-N 3.47Å; C642-L718 HydrophobicContact CB-CD2 4.21Å
643H93.9Very high90.7Very high37 Ų3741.3 Ų41.317%0.17121%0.208CC..Hα-helixtrans-71.9-33.6178.5-68.3-18.8000113.2V582 L585 A639 I640 H645 Q646 L647V582-H643 WeakPolarHBondContact CG1-CD2 3.48Å; V582-H643 PolarHBondContact O-CD2 3.48Å; L585-H643 HydrophobicContact CD2-CB 3.59Å; L585-H643 HydrophobicContact CG-CB 4.04Å; A639-H643 PolarHBondContact O-N 2.69Å; A639-H643 VanDerWaalsContact O-N 3.11Å; I640-H643 PolarHBondContact O-N 3.35Å; H643-H645 VanDerWaalsContact C-N 3.34Å; H643-Q646 PolarHBondContact ND1-OE1 3.49Å; H643-Q646 PolarHBondContact O-N 3.19Å; H643-L647 WeakPolarHBondContact O-CB 3.4Å; H643-L647 PolarHBondContact O-N 3.23Å
644L93.9Very high91.3Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-62.4-43.5171.3-69.8-179000111.3W575 L585 W609 C613 A617 L620 I640 L641 L647 I648 L714W575-L644 HydrophobicContact CH2-CD2 4.14Å; L585-L644 HydrophobicContact CD2-CD2 4.1Å; W609-L644 HydrophobicContact CE3-CD2 4.37Å; W609-L644 HydrophobicContact CZ3-CB 4.22Å; W609-L644 HydrophobicContact CZ3-CD2 3.93Å; W609-L644 HydrophobicContact CZ3-CG 4.49Å; C613-L644 HydrophobicContact CB-CD2 3.61Å; A617-L644 HydrophobicContact CB-CD1 3.93Å; L620-L644 HydrophobicContact CD1-CD1 3.76Å; I640-L644 HydrophobicContact CG2-CD1 3.78Å; I640-L644 HydrophobicContact CG2-CG 4.08Å; I640-L644 WeakPolarHBondContact O-CB 3.42Å; I640-L644 VanDerWaalsContact O-CG 3.28Å; I640-L644 WeakPolarHBondContact O-CG 3.31Å; I640-L644 PolarHBondContact O-N 3.01Å; L641-L644 PolarHBondContact O-N 2.7Å; L644-L647 PolarHBondContact O-N 3.16Å; L644-I648 WeakPolarHBondContact O-CG1 3.34Å; L644-I648 PolarHBondContact O-N 2.85Å; L644-L714 HydrophobicContact CB-CD1 4.14Å; L644-L714 HydrophobicContact CB-CD2 4.18Å
645H94.7Very high91.9Very high18 Ų1834.1 Ų34.18%0.08317%0.174CC..Hα-helixtrans-60.2-48.8173.7173.8-109000110.8L641 C642 H643 L647 I648 T649 L714 L718 E796L641-H645 VanDerWaalsContact O-CB 3.29Å; L641-H645 WeakPolarHBondContact O-CB 3.3Å; L641-H645 PolarHBondContact O-N 3.45Å; C642-H645 WeakPolarHBondContact O-CB 3.4Å; C642-H645 PolarHBondContact O-N 2.9Å; H643-H645 VanDerWaalsContact C-N 3.34Å; H645-L647 VanDerWaalsContact C-N 3.31Å; H645-L647 PolarHBondContact O-N 3.21Å; H645-I648 PolarHBondContact O-N 3.28Å; H645-T649 WeakPolarHBondContact O-CB 3.23Å; H645-T649 PolarHBondContact O-N 3.28Å; H645-T649 PolarHBondContact O-OG1 3.27Å; H645-L714 HydrophobicContact CB-CB 4.1Å; H645-L718 HydrophobicContact CB-CD1 3.57Å; H645-E796 IonicContact NE2-OE1 3.13Å
646Q94.8Very high92.2Very high86 Ų8629.2 Ų29.240%0.40216%0.159SC..Hα-helixtrans-60.6-38.7177.7-69.6169.2-16.500112.3M589 C642 H643 F650M589-Q646 HydrophobicContact CE-CB 3.69Å; M589-Q646 HydrophobicContact SD-CB 4.44Å; C642-Q646 VanDerWaalsContact O-CG 3.25Å; C642-Q646 WeakPolarHBondContact O-CG 3.25Å; C642-Q646 PolarHBondContact O-N 3.47Å; H643-Q646 PolarHBondContact ND1-OE1 3.49Å; H643-Q646 PolarHBondContact O-N 3.19Å; Q646-F650 WeakPolarHBondContact O-CB 3.39Å; Q646-F650 PolarHBondContact O-N 3.46Å
647L95.3Very high92.2Very high2 Ų230.2 Ų30.21%0.0116%0.163CC..Hα-helixtrans-63.7-46.7177177.466.9000111.4M589 L592 W609 H643 L644 H645 F650 C651M589-L647 HydrophobicContact CE-CB 4.19Å; M589-L647 HydrophobicContact CG-CB 4.5Å; M589-L647 HydrophobicContact CG-CD1 4.02Å; M589-L647 HydrophobicContact SD-CB 3.92Å; L592-L647 HydrophobicContact CD1-CD1 4.49Å; W609-L647 HydrophobicContact CE3-CD2 4.32Å; H643-L647 WeakPolarHBondContact O-CB 3.4Å; H643-L647 PolarHBondContact O-N 3.23Å; L644-L647 PolarHBondContact O-N 3.16Å; H645-L647 VanDerWaalsContact C-N 3.31Å; H645-L647 PolarHBondContact O-N 3.21Å; L647-F650 PolarHBondContact O-N 3.37Å; L647-C651 VanDerWaalsContact O-CB 3.28Å; L647-C651 WeakPolarHBondContact O-CB 3.41Å; L647-C651 PolarHBondContact O-N 3.41Å
648I94.8Very high92Very high1 Ų130.9 Ų30.91%0.00517%0.168CC..Hα-helixtrans-66.6-42.2178.2-69.1-60.6000111.2W609 L644 H645 C651 L652 L707 H710 R711 L714 L750W609-I648 HydrophobicContact CD2-CD1 3.65Å; W609-I648 HydrophobicContact CD2-CG1 4.42Å; W609-I648 HydrophobicContact CE3-CD1 3.54Å; W609-I648 HydrophobicContact CE3-CG1 3.84Å; W609-I648 HydrophobicContact CG-CD1 4.15Å; W609-I648 HydrophobicContact CH2-CD1 4.34Å; W609-I648 HydrophobicContact CH2-CG1 4.23Å; W609-I648 HydrophobicContact CZ2-CD1 4.45Å; W609-I648 HydrophobicContact CZ3-CD1 3.89Å; W609-I648 HydrophobicContact CZ3-CG1 3.72Å; L644-I648 WeakPolarHBondContact O-CG1 3.34Å; L644-I648 PolarHBondContact O-N 2.85Å; H645-I648 PolarHBondContact O-N 3.28Å; I648-C651 WeakPolarHBondContact O-CB 3.33Å; I648-C651 PolarHBondContact O-N 3.39Å; I648-L652 WeakPolarHBondContact O-CB 3.44Å; I648-L652 PolarHBondContact O-N 3.36Å; I648-L707 HydrophobicContact CD1-CD2 4.46Å; I648-L707 HydrophobicContact CG2-CD2 4.31Å; I648-H710 HydrophobicContact CG2-CB 4.3Å; I648-R711 HydrophobicContact CG2-CB 3.76Å; I648-R711 HydrophobicContact CG2-CG 4.29Å; I648-L714 HydrophobicContact CB-CD1 4.22Å; I648-L714 HydrophobicContact CG1-CD1 3.71Å; I648-L750 HydrophobicContact CD1-CD1 4.3Å
649T94.6Very high91.1Very high33 Ų3330.8 Ų30.820%0.20217%0.173CC..Hα-helixtrans-60.3-47.3175-61.80000110.9H645 C651 L652 D653H645-T649 WeakPolarHBondContact O-CB 3.23Å; H645-T649 PolarHBondContact O-N 3.28Å; H645-T649 PolarHBondContact O-OG1 3.27Å; T649-C651 VanDerWaalsContact C-N 3.31Å; T649-C651 PolarHBondContact O-N 2.91Å; T649-L652 WeakPolarHBondContact O-CB 3.43Å; T649-L652 PolarHBondContact O-N 3.09Å; T649-L652 VanDerWaalsContact O-N 3.14Å; T649-D653 VanDerWaalsContact O-CG 3.31Å; T649-D653 PolarHBondContact O-N 2.59Å
650F95.3Very high89.8Confident30 Ų3033 Ų3313%0.13219%0.186CC..Hα-helixtrans-61.2-38.5175.2172.6-108.5000112.9L592 Q593 R601 S605 Q646 L647 L652 D653 S654L592-F650 HydrophobicContact CB-CE1 4.33Å; Q593-F650 HydrophobicContact CB-CE2 4.29Å; Q593-F650 HydrophobicContact CB-CZ 4.18Å; Q593-F650 HydrophobicContact CG-CD1 4.43Å; Q593-F650 HydrophobicContact CG-CD2 3.89Å; Q593-F650 HydrophobicContact CG-CE1 4.07Å; Q593-F650 HydrophobicContact CG-CE2 3.49Å; Q593-F650 VanDerWaalsContact CG-CE2 3.49Å; Q593-F650 HydrophobicContact CG-CG 4.34Å; Q593-F650 HydrophobicContact CG-CZ 3.58Å; R601-F650 HydrophobicContact CB-CE1 4.24Å; R601-F650 HydrophobicContact CB-CZ 3.78Å; R601-F650 HydrophobicContact CG-CZ 4Å; S605-F650 WeakPolarHBondContact OG-CD1 3.48Å; S605-F650 VanDerWaalsContact OG-CE1 3.3Å; S605-F650 WeakPolarHBondContact OG-CE1 3.43Å; Q646-F650 WeakPolarHBondContact O-CB 3.39Å; Q646-F650 PolarHBondContact O-N 3.46Å; L647-F650 PolarHBondContact O-N 3.37Å; F650-L652 VanDerWaalsContact C-N 3.34Å; F650-D653 PolarHBondContact O-N 3.34Å; F650-S654 VanDerWaalsContact O-CB 3.31Å; F650-S654 WeakPolarHBondContact O-CB 3.1Å; F650-S654 PolarHBondContact O-N 3.03Å; F650-S654 PolarHBondContact O-OG 2.91Å
651C94.3Very high88.2Confident2 Ų237.4 Ų37.41%0.01421%0.209CC..Hα-helixtrans-63.7-40.5175.4-1700000111.5H602 L647 I648 T649 L655 L707H602-C651 PolarHBondContact ND1-O 3.2Å; H602-C651 PolarHBondContact ND1-SG 2.83Å; H602-C651 VanDerWaalsContact ND1-SG 3.41Å; L647-C651 VanDerWaalsContact O-CB 3.28Å; L647-C651 WeakPolarHBondContact O-CB 3.41Å; L647-C651 PolarHBondContact O-N 3.41Å; I648-C651 WeakPolarHBondContact O-CB 3.33Å; I648-C651 PolarHBondContact O-N 3.39Å; T649-C651 VanDerWaalsContact C-N 3.31Å; T649-C651 PolarHBondContact O-N 2.91Å; C651-L655 PolarHBondContact O-N 3.43Å; C651-L707 HydrophobicContact CB-CD2 4Å
652L93.9Very high86.4Confident13 Ų1343.3 Ų43.37%0.06825%0.251CS..Hα-helixtrans-68.5-43.4176.3-177.566.5000112.1I648 T649 F650 S654 L655 A656 R704 L707 E708I648-L652 WeakPolarHBondContact O-CB 3.44Å; I648-L652 PolarHBondContact O-N 3.36Å; T649-L652 WeakPolarHBondContact O-CB 3.43Å; T649-L652 PolarHBondContact O-N 3.09Å; T649-L652 VanDerWaalsContact O-N 3.14Å; F650-L652 VanDerWaalsContact C-N 3.34Å; L652-S654 VanDerWaalsContact C-N 3.33Å; L652-S654 PolarHBondContact O-N 3.21Å; L652-L655 WeakPolarHBondContact O-CB 3.18Å; L652-L655 PolarHBondContact O-N 3.5Å; L652-A656 PolarHBondContact O-N 2.85Å; L652-R704 HydrophobicContact CD1-CG 4Å; L652-L707 HydrophobicContact CD1-CB 4.03Å; L652-E708 VanDerWaalsContact CD2-OE2 3.26Å; L652-E708 WeakPolarHBondContact CD2-OE2 3.36Å
653D93.3Very high84.6Confident86 Ų8644.7 Ų44.746%0.4626%0.261SS..Hα-helixtrans-63.2-41.6176.7-69.1-22.8000111.3T649 F650 L655 A656 Q657T649-D653 VanDerWaalsContact O-CG 3.31Å; T649-D653 PolarHBondContact O-N 2.59Å; F650-D653 PolarHBondContact O-N 3.34Å; D653-L655 VanDerWaalsContact C-N 3.32Å; D653-L655 PolarHBondContact O-N 3.12Å; D653-A656 PolarHBondContact O-N 2.85Å; D653-Q657 WeakPolarHBondContact O-CG 3.45Å; D653-Q657 PolarHBondContact O-N 3.23Å
654S92.4Very high82.9Confident1 Ų151.5 Ų51.51%0.00729%0.293CS..Hα-helixtrans-66-34.9174.9-60.40000111.9F650 L652 Q657 C658F650-S654 VanDerWaalsContact O-CB 3.31Å; F650-S654 WeakPolarHBondContact O-CB 3.1Å; F650-S654 PolarHBondContact O-N 3.03Å; F650-S654 PolarHBondContact O-OG 2.91Å; L652-S654 VanDerWaalsContact C-N 3.33Å; L652-S654 PolarHBondContact O-N 3.21Å; S654-Q657 PolarHBondContact O-N 3.22Å; S654-C658 PolarHBondContact O-N 3.42Å; S654-C658 VanDerWaalsContact O-N 3.12Å; S654-C658 PolarHBondContact O-SG 2.81Å
655L91.4Very high81.4Confident5 Ų555.1 Ų55.13%0.02632%0.315CS..Hα-helixtrans-63.8-43.6173.4-176.558.4000111.3C651 L652 D653 Q657 C658 D659 L701 A702 R704 L707C651-L655 PolarHBondContact O-N 3.43Å; L652-L655 WeakPolarHBondContact O-CB 3.18Å; L652-L655 PolarHBondContact O-N 3.5Å; D653-L655 VanDerWaalsContact C-N 3.32Å; D653-L655 PolarHBondContact O-N 3.12Å; L655-Q657 PolarHBondContact O-N 2.83Å; L655-C658 WeakPolarHBondContact O-CA 3.17Å; L655-C658 VanDerWaalsContact O-CB 3.31Å; L655-C658 WeakPolarHBondContact O-CB 3.31Å; L655-C658 PolarHBondContact O-N 3.49Å; L655-D659 PolarHBondContact O-N 2.97Å; L655-D659 VanDerWaalsContact O-N 3.11Å; L655-L701 HydrophobicContact CD1-CB 4.15Å; L655-L701 HydrophobicContact CD1-CD1 4.37Å; L655-L701 HydrophobicContact CD1-CD2 4.36Å; L655-A702 WeakPolarHBondContact CD2-O 3.3Å; L655-R704 HydrophobicContact CD2-CB 4.02Å; L655-R704 HydrophobicContact CD2-CG 4.47Å; L655-L707 HydrophobicContact CD2-CD1 3.65Å
656A89Confident79.9Confident41 Ų4157.8 Ų57.834%0.33934%0.335SS..Hα-helixtrans-60.8-31.5177.800000112.5L652 D653L652-A656 PolarHBondContact O-N 2.85Å; D653-A656 PolarHBondContact O-N 2.85Å
657Q86.8Confident78.6Confident84 Ų8460.5 Ų60.539%0.39336%0.357SS..Hα-helixtrans-75-27172.6-65.6170.819.600112.9A598 D653 S654 L655 S660 D661A598-Q657 HydrophobicContact CB-CB 3.59Å; D653-Q657 WeakPolarHBondContact O-CG 3.45Å; D653-Q657 PolarHBondContact O-N 3.23Å; S654-Q657 PolarHBondContact O-N 3.22Å; L655-Q657 PolarHBondContact O-N 2.83Å; Q657-S660 PolarHBondContact O-OG 3.34Å; Q657-D661 PolarHBondContact O-N 3.09Å
658C82.4Confident77.4Confident14 Ų1462 Ų6210%0.09537%0.365CS..Hα-helixtrans-70.5-37.2173.8-62.70000111.7R599 S654 L655 S660 D661R599-C658 WeakPolarHBondContact CA-SG 3.39Å; R599-C658 PolarHBondContact N-SG 3.28Å; R599-C658 VanDerWaalsContact N-SG 3.37Å; S654-C658 PolarHBondContact O-N 3.42Å; S654-C658 VanDerWaalsContact O-N 3.12Å; S654-C658 PolarHBondContact O-SG 2.81Å; L655-C658 WeakPolarHBondContact O-CA 3.17Å; L655-C658 VanDerWaalsContact O-CB 3.31Å; L655-C658 WeakPolarHBondContact O-CB 3.31Å; L655-C658 PolarHBondContact O-N 3.49Å; C658-S660 PolarHBondContact O-N 3.39Å; C658-D661 CarbonylContact O-C 3.54Å; C658-D661 PolarHBondContact O-N 3.21Å
659D69.1Low76.4Confident107 Ų10765.8 Ų65.857%0.57239%0.389SS*.Hα-helixtrans-61.7-26.8178.7-68.2-30.1000112L655 R704L655-D659 PolarHBondContact O-N 2.97Å; L655-D659 VanDerWaalsContact O-N 3.11Å; D659-R704 IonicContact OD2-NH1 2.66Å
660S62.2Low75.6Confident89 Ų8965.9 Ų65.962%0.62239%0.391SS*.Hα-helixtrans-79.5-29.7172.145.60000114.1Q657 C658Q657-S660 PolarHBondContact O-OG 3.34Å; C658-S660 PolarHBondContact O-N 3.39Å
661D57Low75.1Confident92 Ų9265.3 Ų65.349%0.49239%0.389SS..  trans-98.294.2-177.1-75-19.5000109.7Q657 C658 S663Q657-D661 PolarHBondContact O-N 3.09Å; C658-D661 CarbonylContact O-C 3.54Å; C658-D661 PolarHBondContact O-N 3.21Å; D661-S663 PolarHBondContact O-N 3.27Å; D661-S663 PolarHBondContact O-OG 3.48Å
662S53.3Low74.4Confident125 Ų12570.9 Ų70.987%0.87442%0.419SS*.  trans-68.947.1172.167.80000112.7E664S662-E664 PolarHBondContact O-N 3.36Å
663S55Low74Confident73 Ų7372 Ų7251%0.5142%0.423SS..  trans-80.6116.3-175.5390000109.2D661D661-S663 PolarHBondContact O-N 3.27Å; D661-S663 PolarHBondContact O-OG 3.48Å
664E57.3Low73.5Confident180 Ų18068 Ų6884%0.84140%0.402SS*.  trans-52.1143.5163.5-69-175.4163.500109.1S662 S666S662-E664 PolarHBondContact O-N 3.36Å; E664-S666 VanDerWaalsContact C-N 3.35Å; E664-S666 PolarHBondContact O-N 3.22Å
665V62.2Low72.8Confident76 Ų7668.8 Ų68.846%0.46141%0.407SS..  trans-60.999.5175.3-178.80000107.7V667V665-V667 PolarHBondContact O-N 2.88Å
666S64.1Low72.3Confident74 Ų7471.1 Ų71.152%0.51742%0.421SS..  trans-63134.5178.456.70000109.2E664 M668 N697E664-S666 VanDerWaalsContact C-N 3.35Å; E664-S666 PolarHBondContact O-N 3.22Å; S666-M668 PolarHBondContact O-N 3.26Å; S666-M668 VanDerWaalsContact O-N 3.13Å; S666-N697 PolarHBondContact O-ND2 3.34Å
667V67Low72Confident143 Ų14369.2 Ų69.287%0.86741%0.405SS*.  trans-67.1112.9170.6179.80000106.9V665V665-V667 PolarHBondContact O-N 2.88Å
668M70.3Confident71.7Confident34 Ų3465.5 Ų65.517%0.16739%0.389CS..  trans-72.1138.7178.5-61.4-59.6-108.400109.4L600 S666 L693L600-M668 HydrophobicContact CD1-CE 4.08Å; S666-M668 PolarHBondContact O-N 3.26Å; S666-M668 VanDerWaalsContact O-N 3.13Å; M668-L693 HydrophobicContact CE-CD1 4.1Å; M668-L693 HydrophobicContact CE-CD2 3.71Å; M668-L693 HydrophobicContact CE-CG 3.87Å
669P73.4Confident71.5Confident80 Ų8073.9 Ų73.952%0.51942%0.418SS..  trans-68.4141.5177.929.5-34.7000110.3F556F556-P669 HydrophobicContact CD1-CB 3.55Å; F556-P669 HydrophobicContact CD1-CG 3.45Å; F556-P669 VanDerWaalsContact CD1-CG 3.45Å; F556-P669 HydrophobicContact CD2-CB 4.33Å; F556-P669 HydrophobicContact CE1-CB 3.43Å; F556-P669 VanDerWaalsContact CE1-CB 3.43Å; F556-P669 HydrophobicContact CE1-CG 3.6Å; F556-P669 HydrophobicContact CE2-CB 4.22Å; F556-P669 HydrophobicContact CG-CB 4.02Å; F556-P669 HydrophobicContact CG-CG 4.21Å; F556-P669 HydrophobicContact CZ-CB 3.79Å; F556-P669 HydrophobicContact CZ-CG 4.45Å
670S77.9Confident72.1Confident34 Ų3473.6 Ų73.624%0.23842%0.415CS..  trans-126.9160.4177.478.60000110.3D672S670-D672 PolarHBondContact O-N 3.01Å
671E84.2Confident72.9Confident19 Ų1971.2 Ų71.29%0.08940%0.395CS..  trans-71.388.8175.6-61.8-59.5164.500110.7F554 P555 F556 F673 L674 C675F554-E671 WeakPolarHBondContact CA-OE1 3.28Å; F554-E671 HydrophobicContact CB-CG 4.45Å; F554-E671 HydrophobicContact CD1-CG 4.37Å; P555-E671 WeakPolarHBondContact CD-OE1 3.33Å; P555-E671 WeakPolarHBondContact CG-OE1 3.46Å; F556-E671 HydrophobicContact CB-CG 4.49Å; F556-E671 WeakPolarHBondContact CB-OE1 3.19Å; F556-E671 HydrophobicContact CD2-CG 4.35Å; F556-E671 WeakPolarHBondContact CD2-OE1 3.32Å; F556-E671 PolarHBondContact N-OE1 3.47Å; E671-F673 HydrophobicContact CB-CD1 4.15Å; E671-F673 HydrophobicContact CB-CE1 3.85Å; E671-F673 HydrophobicContact CB-CZ 4.49Å; E671-F673 HydrophobicContact CG-CE1 4.22Å; E671-F673 PolarHBondContact O-N 3.4Å; E671-F673 VanDerWaalsContact O-N 3.08Å; E671-F673 WeakPolarHBondContact OE2-CE1 3.41Å; E671-L674 HydrophobicContact CB-CB 3.83Å; E671-L674 WeakPolarHBondContact O-CA 3.44Å; E671-L674 WeakPolarHBondContact O-CB 3.29Å; E671-L674 PolarHBondContact O-N 2.87Å; E671-C675 PolarHBondContact O-N 3.19Å
672D80.7Confident73.5Confident119 Ų11967.6 Ų67.664%0.63638%0.378SS*.Hα-helixtrans-52.7-35.7-175.9-79.9-16.3000113.2S670 T676S670-D672 PolarHBondContact O-N 3.01Å; D672-T676 VanDerWaalsContact O-CB 3.25Å; D672-T676 WeakPolarHBondContact O-CB 3.16Å; D672-T676 PolarHBondContact O-N 3.3Å; D672-T676 PolarHBondContact O-OG1 3.33Å
673F85.1Confident74.2Confident35 Ų3569.3 Ų69.315%0.15437%0.37CS..Hα-helixtrans-67.2-40.8177.678.9-90.2000111.7A470 K473 V474 F554 E671 T676 F677A470-F673 HydrophobicContact CB-CD2 4.2Å; K473-F673 HydrophobicContact CB-CD2 4.25Å; K473-F673 HydrophobicContact CB-CE2 3.64Å; K473-F673 HydrophobicContact CB-CZ 4.19Å; K473-F673 HydrophobicContact CD-CD1 4.49Å; K473-F673 HydrophobicContact CD-CD2 3.97Å; K473-F673 HydrophobicContact CD-CE1 4.36Å; K473-F673 HydrophobicContact CD-CE2 3.86Å; K473-F673 HydrophobicContact CD-CG 4.29Å; K473-F673 HydrophobicContact CD-CZ 4.04Å; K473-F673 HydrophobicContact CG-CE2 4.43Å; V474-F673 HydrophobicContact CG2-CE2 4.38Å; F554-F673 HydrophobicContact CD1-CE1 4.46Å; F554-F673 AromaticContact CD1-CZ 3.76Å; F554-F673 HydrophobicContact CD1-CZ 3.76Å; F554-F673 HydrophobicContact CE1-CE2 4.14Å; F554-F673 AromaticContact CE1-CZ 3.6Å; F554-F673 HydrophobicContact CE1-CZ 3.6Å; E671-F673 HydrophobicContact CB-CD1 4.15Å; E671-F673 HydrophobicContact CB-CE1 3.85Å; E671-F673 HydrophobicContact CB-CZ 4.49Å; E671-F673 HydrophobicContact CG-CE1 4.22Å; E671-F673 PolarHBondContact O-N 3.4Å; E671-F673 VanDerWaalsContact O-N 3.08Å; E671-F673 WeakPolarHBondContact OE2-CE1 3.41Å; F673-T676 PolarHBondContact O-N 3.44Å; F673-F677 VanDerWaalsContact O-CB 3.26Å; F673-F677 WeakPolarHBondContact O-CB 3.49Å; F673-F677 PolarHBondContact O-N 3.23Å
674L82.8Confident74.2Confident3 Ų371.9 Ų71.92%0.01638%0.384CS..Hα-helixtrans-69.5-45.4178.1-178.566.2000109.8V474 V509 F517 E671 T676 F677 V678V474-L674 HydrophobicContact CG2-CD1 3.59Å; V509-L674 HydrophobicContact CG1-CD1 4.15Å; F517-L674 HydrophobicContact CE2-CD1 4.43Å; F517-L674 HydrophobicContact CE2-CD2 4.49Å; E671-L674 HydrophobicContact CB-CB 3.83Å; E671-L674 WeakPolarHBondContact O-CA 3.44Å; E671-L674 WeakPolarHBondContact O-CB 3.29Å; E671-L674 PolarHBondContact O-N 2.87Å; L674-T676 VanDerWaalsContact C-N 3.28Å; L674-T676 PolarHBondContact O-N 3.48Å; L674-F677 PolarHBondContact O-N 2.87Å; L674-V678 HydrophobicContact CD1-CG2 4.22Å; L674-V678 HydrophobicContact CG-CG2 4.36Å; L674-V678 VanDerWaalsContact O-CG2 3.29Å; L674-V678 WeakPolarHBondContact O-CG2 3.46Å; L674-V678 PolarHBondContact O-N 3.36Å
675C78.9Confident74.1Confident17 Ų1773.2 Ų73.212%0.11539%0.388CS..Hα-helixtrans-56.5-43.4173.7-75.20000111.7E671 R679E671-C675 PolarHBondContact O-N 3.19Å; C675-R679 WeakPolarHBondContact O-CB 3.33Å; C675-R679 PolarHBondContact O-N 3.02Å
676T79.2Confident73.5Confident54 Ų5473.7 Ų73.733%0.33139%0.387SS..Hα-helixtrans-65.6-46.7176.7-60.70000111.5D672 F673 L674 R679 M680D672-T676 VanDerWaalsContact O-CB 3.25Å; D672-T676 WeakPolarHBondContact O-CB 3.16Å; D672-T676 PolarHBondContact O-N 3.3Å; D672-T676 PolarHBondContact O-OG1 3.33Å; F673-T676 PolarHBondContact O-N 3.44Å; L674-T676 VanDerWaalsContact C-N 3.28Å; L674-T676 PolarHBondContact O-N 3.48Å; T676-R679 PolarHBondContact O-N 3.27Å; T676-M680 HydrophobicContact CG2-CE 3.83Å; T676-M680 HydrophobicContact CG2-SD 4.21Å; T676-M680 WeakPolarHBondContact O-CB 3.5Å; T676-M680 WeakPolarHBondContact O-CG 3.29Å; T676-M680 PolarHBondContact O-N 2.99Å
677F83.6Confident72.8Confident1 Ų173 Ų730%0.00438%0.375CS..Hα-helixtrans-58.9-50.3177.7176.6-99.3000111.9L425 L467 A470 M471 V474 L506 L510 F673 L674 R679 M680 N681L425-F677 HydrophobicContact CD2-CZ 4.29Å; L467-F677 HydrophobicContact CD2-CD2 4.41Å; A470-F677 HydrophobicContact CB-CB 3.94Å; A470-F677 HydrophobicContact CB-CD2 4.1Å; A470-F677 HydrophobicContact CB-CG 4.35Å; M471-F677 HydrophobicContact CB-CE2 3.89Å; M471-F677 HydrophobicContact CE-CE2 3.49Å; M471-F677 VanDerWaalsContact CE-CE2 3.49Å; M471-F677 HydrophobicContact CE-CZ 3.61Å; M471-F677 HydrophobicContact CG-CE2 4.37Å; M471-F677 HydrophobicContact SD-CE2 3.58Å; M471-F677 VanDerWaalsContact SD-CE2 3.58Å; M471-F677 HydrophobicContact SD-CZ 3.43Å; M471-F677 WeakPolarHBondContact SD-CZ 3.28Å; V474-F677 HydrophobicContact CG1-CE1 4.32Å; V474-F677 HydrophobicContact CG2-CD1 3.96Å; V474-F677 HydrophobicContact CG2-CE1 4.23Å; V474-F677 HydrophobicContact CG2-CG 4.38Å; L506-F677 HydrophobicContact CD2-CE1 4.44Å; L506-F677 HydrophobicContact CD2-CZ 4.33Å; L510-F677 HydrophobicContact CD2-CD1 4.05Å; L510-F677 HydrophobicContact CD2-CE1 3.7Å; L510-F677 HydrophobicContact CD2-CZ 4.48Å; L510-F677 HydrophobicContact CG-CE1 4.4Å; F673-F677 VanDerWaalsContact O-CB 3.26Å; F673-F677 WeakPolarHBondContact O-CB 3.49Å; F673-F677 PolarHBondContact O-N 3.23Å; L674-F677 PolarHBondContact O-N 2.87Å; F677-R679 PolarHBondContact O-N 3.35Å; F677-M680 PolarHBondContact O-N 2.91Å; F677-N681 WeakPolarHBondContact CD2-ND2 3.48Å; F677-N681 VanDerWaalsContact CE2-ND2 3.31Å; F677-N681 WeakPolarHBondContact CE2-ND2 3.25Å; F677-N681 PolarHBondContact O-N 2.88Å; F677-N681 PolarHBondContact O-ND2 3.45Å
678V80.8Confident72.2Confident7 Ų773.1 Ų73.14%0.04236%0.364CS..Hα-helixtrans-63.3-44.4178.1179.10000110.1L510 L674 M680 N681 A682 F687L510-V678 HydrophobicContact CD2-CB 4.31Å; L510-V678 HydrophobicContact CD2-CG1 4.35Å; L510-V678 HydrophobicContact CD2-CG2 4.18Å; L674-V678 HydrophobicContact CD1-CG2 4.22Å; L674-V678 HydrophobicContact CG-CG2 4.36Å; L674-V678 VanDerWaalsContact O-CG2 3.29Å; L674-V678 WeakPolarHBondContact O-CG2 3.46Å; L674-V678 PolarHBondContact O-N 3.36Å; V678-M680 VanDerWaalsContact C-N 3.29Å; V678-M680 PolarHBondContact O-N 2.82Å; V678-N681 PolarHBondContact O-N 3.36Å; V678-A682 HydrophobicContact CG1-CB 3.94Å; V678-A682 WeakPolarHBondContact O-CA 3.48Å; V678-A682 WeakPolarHBondContact O-CB 3.4Å; V678-A682 PolarHBondContact O-N 3.41Å; V678-F687 HydrophobicContact CB-CD2 4.31Å; V678-F687 HydrophobicContact CB-CE2 3.93Å; V678-F687 HydrophobicContact CG1-CD2 3.55Å; V678-F687 HydrophobicContact CG1-CE2 3.65Å
679R78.7Confident71.4Confident189 Ų18977.8 Ų77.871%0.71338%0.383SS*.Hα-helixtrans-61.1-35.3179.7-177.3178.9179.9-176.31.1113.5C675 T676 F677C675-R679 WeakPolarHBondContact O-CB 3.33Å; C675-R679 PolarHBondContact O-N 3.02Å; T676-R679 PolarHBondContact O-N 3.27Å; F677-R679 PolarHBondContact O-N 3.35Å
680M79.9Confident71.3Confident101 Ų10177.8 Ų77.850%0.49838%0.376SS..Hα-helixtrans-80.7-23.5-178.8-71.9-168.3-179.600113.2L467 T676 F677 V678L467-M680 HydrophobicContact CD1-SD 3.74Å; L467-M680 HydrophobicContact CD2-CB 3.8Å; L467-M680 HydrophobicContact CD2-CG 4.21Å; L467-M680 HydrophobicContact CD2-SD 3.55Å; L467-M680 VanDerWaalsContact CD2-SD 3.55Å; L467-M680 HydrophobicContact CG-SD 3.73Å; T676-M680 HydrophobicContact CG2-CE 3.83Å; T676-M680 HydrophobicContact CG2-SD 4.21Å; T676-M680 WeakPolarHBondContact O-CB 3.5Å; T676-M680 WeakPolarHBondContact O-CG 3.29Å; T676-M680 PolarHBondContact O-N 2.99Å; F677-M680 PolarHBondContact O-N 2.91Å; V678-M680 VanDerWaalsContact C-N 3.29Å; V678-M680 PolarHBondContact O-N 2.82Å
681N79.4Confident71.4Confident40 Ų4076.8 Ų76.821%0.21437%0.369CS..Hα-helixtrans-108.9-29.7-175.8-66.7-66.6000114.3Y421 L510 F677 V678Y421-N681 VanDerWaalsContact CE1-OD1 3.25Å; Y421-N681 WeakPolarHBondContact CE1-OD1 3.46Å; Y421-N681 PolarHBondContact OH-ND2 3.22Å; Y421-N681 PolarHBondContact OH-OD1 2.86Å; L510-N681 HydrophobicContact CD1-CB 3.9Å; L510-N681 HydrophobicContact CD2-CB 3.72Å; L510-N681 HydrophobicContact CG-CB 4.49Å; F677-N681 WeakPolarHBondContact CD2-ND2 3.48Å; F677-N681 VanDerWaalsContact CE2-ND2 3.31Å; F677-N681 WeakPolarHBondContact CE2-ND2 3.25Å; F677-N681 PolarHBondContact O-N 2.88Å; F677-N681 PolarHBondContact O-ND2 3.45Å; V678-N681 PolarHBondContact O-N 3.36Å
682A70.2Confident71.5Confident16 Ų1676.4 Ų76.413%0.13237%0.367CS..SBendtrans-78.3148.5179.100000110.9V678V678-A682 HydrophobicContact CG1-CB 3.94Å; V678-A682 WeakPolarHBondContact O-CA 3.48Å; V678-A682 WeakPolarHBondContact O-CB 3.4Å; V678-A682 PolarHBondContact O-N 3.41Å
683K67Low71.7Confident161 Ų16171.3 Ų71.370%0.734%0.34SS*.  trans-62.6135.4170-66.8-179.61801770108.3K685 L686K683-K685 PolarHBondContact O-N 2.92Å; K683-L686 HydrophobicContact CB-CD1 4.32Å; K683-L686 PolarHBondContact O-N 3.34Å
684P55.6Low71.7Confident126 Ų12670.8 Ų70.882%0.81834%0.338SS*.THydrogen-bonded Turntrans-57.8-20.7-173.316.8-29.6000114.7
685K54.7Low71.8Confident209 Ų20974.3 Ų74.391%0.90935%0.352SS*.THydrogen-bonded Turntrans-77.1-17.5176.9-65.8-172.9176.8-175.60114.8K683K683-K685 PolarHBondContact O-N 2.92Å
686L49.8Very low72.2Confident86 Ų8673.5 Ų73.545%0.4535%0.346SS..THydrogen-bonded Turntrans-99.8-7.6-173.7-88.8150.5000113.6L511 K683 K688L511-L686 HydrophobicContact CD2-CD1 3.95Å; L511-L686 HydrophobicContact CD2-CD2 3.84Å; L511-L686 HydrophobicContact CD2-CG 4.42Å; K683-L686 HydrophobicContact CB-CD1 4.32Å; K683-L686 PolarHBondContact O-N 3.34Å; L686-K688 PolarHBondContact O-N 2.95Å
687F49.4Very low72.4Confident58 Ų5871.3 Ų71.325%0.25433%0.333SS..  trans-75.691.9-174.5-170.5-116.1000111.8V678 K689V678-F687 HydrophobicContact CB-CD2 4.31Å; V678-F687 HydrophobicContact CB-CE2 3.93Å; V678-F687 HydrophobicContact CG1-CD2 3.55Å; V678-F687 HydrophobicContact CG1-CE2 3.65Å; F687-K689 HydrophobicContact CD1-CB 3.98Å; F687-K689 HydrophobicContact CD1-CD 4.44Å; F687-K689 HydrophobicContact CD1-CG 4.19Å; F687-K689 HydrophobicContact CE1-CB 3.59Å; F687-K689 HydrophobicContact CE1-CD 3.62Å; F687-K689 HydrophobicContact CE1-CG 3.32Å; F687-K689 HydrophobicContact CZ-CB 4.17Å; F687-K689 HydrophobicContact CZ-CD 4.39Å; F687-K689 HydrophobicContact CZ-CG 3.74Å; F687-K689 PolarHBondContact O-N 3.48Å
688K54.3Low72.4Confident147 Ų14776.5 Ų76.564%0.63936%0.357SS*.  trans-82.393.3163.3-75.5-173.6-178.9178.60108.3L686 Q690L686-K688 PolarHBondContact O-N 2.95Å; K688-Q690 PolarHBondContact O-N 2.86Å
689K53.6Low72.7Confident132 Ų13278.6 Ų78.657%0.57437%0.367SS*.  trans-62.1-11.9-177.6-155.9171.2-160.4-154.10114.8F687F687-K689 HydrophobicContact CD1-CB 3.98Å; F687-K689 HydrophobicContact CD1-CD 4.44Å; F687-K689 HydrophobicContact CD1-CG 4.19Å; F687-K689 HydrophobicContact CE1-CB 3.59Å; F687-K689 HydrophobicContact CE1-CD 3.62Å; F687-K689 HydrophobicContact CE1-CG 3.32Å; F687-K689 HydrophobicContact CZ-CB 4.17Å; F687-K689 HydrophobicContact CZ-CD 4.39Å; F687-K689 HydrophobicContact CZ-CG 3.74Å; F687-K689 PolarHBondContact O-N 3.48Å
690Q71.6Confident73Confident80 Ų8073.2 Ų73.237%0.37436%0.359SS..  trans-104115.8-163.8-63.3174.8-13.100110.7K688 D694 R695K688-Q690 PolarHBondContact O-N 2.86Å; Q690-D694 HydrophobicContact CB-CB 4.13Å; Q690-D694 HydrophobicContact CG-CB 4.49Å; Q690-R695 HydrophobicContact CB-CG 3.65Å; Q690-R695 PolarHBondContact O-NE 3.03Å; Q690-R695 PolarHBondContact O-NH2 3.37Å
691T79.7Confident73.4Confident13 Ų1371.4 Ų71.48%0.0835%0.351CS..  trans-54.6156162.563.40000109.8S514 D515 L693 D694 R695S514-T691 WeakPolarHBondContact OG-CG2 3.34Å; D515-T691 VanDerWaalsContact CG-CB 3.4Å; D515-T691 WeakPolarHBondContact OD1-CB 3.22Å; D515-T691 WeakPolarHBondContact OD1-CG2 3.4Å; D515-T691 VanDerWaalsContact OD2-C 3.27Å; D515-T691 WeakPolarHBondContact OD2-CA 3.43Å; D515-T691 WeakPolarHBondContact OD2-CB 3.28Å; T691-L693 PolarHBondContact O-N 3.4Å; T691-D694 PolarHBondContact N-OD2 2.89Å; T691-D694 PolarHBondContact O-N 3.45Å; T691-D694 VanDerWaalsContact O-N 3.16Å; T691-D694 VanDerWaalsContact OG1-CB 3.25Å; T691-D694 WeakPolarHBondContact OG1-CB 3.33Å; T691-D694 PolarHBondContact OG1-N 3.02Å; T691-D694 PolarHBondContact OG1-OD2 3.24Å; T691-R695 WeakPolarHBondContact O-CG 3.48Å; T691-R695 PolarHBondContact O-N 2.84Å
692L86.5Confident73.9Confident10 Ų1069.8 Ų69.85%0.05234%0.343CS..Hα-helixtrans-53.9-38.3170179.161.4000110.5D515 L565 W569 F607 R695 T696D515-L692 PolarHBondContact OD2-N 2.97Å; L565-L692 HydrophobicContact CD2-CD2 4.38Å; L565-L692 HydrophobicContact CD2-CG 3.97Å; L565-L692 HydrophobicContact CG-CD2 3.93Å; L565-L692 HydrophobicContact CG-CG 4.05Å; W569-L692 HydrophobicContact CB-CD2 3.69Å; W569-L692 HydrophobicContact CD2-CD1 4.01Å; W569-L692 HydrophobicContact CD2-CD2 4.1Å; W569-L692 HydrophobicContact CE3-CD1 4.07Å; W569-L692 HydrophobicContact CG-CD1 4.47Å; W569-L692 HydrophobicContact CG-CD2 3.72Å; W569-L692 HydrophobicContact CZ3-CD1 4.43Å; F607-L692 HydrophobicContact CD1-CD1 4.19Å; F607-L692 HydrophobicContact CE1-CD1 3.69Å; L692-R695 PolarHBondContact O-N 2.85Å; L692-T696 VanDerWaalsContact O-CB 3.3Å; L692-T696 WeakPolarHBondContact O-CB 3.48Å; L692-T696 PolarHBondContact O-N 3.45Å; L692-T696 PolarHBondContact O-OG1 3.44Å
693L85.9Confident74.8Confident13 Ų1371.2 Ų71.27%0.06835%0.349CS..Hα-helixtrans-63-46.9175.4-168.363.9000112D561 L565 L600 M668 T691 T696 N697D561-L693 HydrophobicContact CB-CD1 4.41Å; L565-L693 HydrophobicContact CD2-CB 4.24Å; L565-L693 HydrophobicContact CD2-CD1 3.79Å; L600-L693 HydrophobicContact CD1-CD1 4.01Å; L600-L693 HydrophobicContact CD2-CD1 3.75Å; M668-L693 HydrophobicContact CE-CD1 4.1Å; M668-L693 HydrophobicContact CE-CD2 3.71Å; M668-L693 HydrophobicContact CE-CG 3.87Å; T691-L693 PolarHBondContact O-N 3.4Å; L693-T696 PolarHBondContact O-N 2.84Å; L693-N697 WeakPolarHBondContact O-CB 3.31Å; L693-N697 PolarHBondContact O-N 3.32Å
694D83.7Confident75.9Confident23 Ų2369.7 Ų69.712%0.12334%0.338CS..Hα-helixtrans-62.9-45.1176.4-70.8-42000111.8Q690 T691 T696 N697 Q698Q690-D694 HydrophobicContact CB-CB 4.13Å; Q690-D694 HydrophobicContact CG-CB 4.49Å; T691-D694 PolarHBondContact N-OD2 2.89Å; T691-D694 PolarHBondContact O-N 3.45Å; T691-D694 VanDerWaalsContact O-N 3.16Å; T691-D694 VanDerWaalsContact OG1-CB 3.25Å; T691-D694 WeakPolarHBondContact OG1-CB 3.33Å; T691-D694 PolarHBondContact OG1-N 3.02Å; T691-D694 PolarHBondContact OG1-OD2 3.24Å; D694-T696 VanDerWaalsContact C-N 3.3Å; D694-T696 PolarHBondContact O-N 3.39Å; D694-N697 PolarHBondContact O-N 3.41Å; D694-Q698 WeakPolarHBondContact O-CB 3.36Å; D694-Q698 WeakPolarHBondContact O-CG 3.46Å; D694-Q698 PolarHBondContact O-N 3.28Å
695R85.1Confident77.4Confident77 Ų7768 Ų6829%0.29132%0.318SS..Hα-helixtrans-58.6-48.6178-71.5-176.3-160.9166.113.4109.8Q690 T691 L692 N697 Q698 L699Q690-R695 HydrophobicContact CB-CG 3.65Å; Q690-R695 PolarHBondContact O-NE 3.03Å; Q690-R695 PolarHBondContact O-NH2 3.37Å; T691-R695 WeakPolarHBondContact O-CG 3.48Å; T691-R695 PolarHBondContact O-N 2.84Å; L692-R695 PolarHBondContact O-N 2.85Å; R695-N697 PolarHBondContact O-N 3.15Å; R695-Q698 PolarHBondContact O-N 3.35Å; R695-L699 WeakPolarHBondContact O-CG 3.4Å; R695-L699 PolarHBondContact O-N 3.15Å
696T87.6Confident79.2Confident0 Ų058.1 Ų58.10%028%0.275CS..Hα-helixtrans-61.7-43.7-179.4-56.70000111.3L600 C603 S604 L692 L693 D694 Q698 L699L600-T696 HydrophobicContact CD2-CG2 4.48Å; C603-T696 HydrophobicContact CB-CG2 3.71Å; C603-T696 WeakPolarHBondContact CB-O 3.21Å; S604-T696 VanDerWaalsContact N-CG2 3.33Å; L692-T696 VanDerWaalsContact O-CB 3.3Å; L692-T696 WeakPolarHBondContact O-CB 3.48Å; L692-T696 PolarHBondContact O-N 3.45Å; L692-T696 PolarHBondContact O-OG1 3.44Å; L693-T696 PolarHBondContact O-N 2.84Å; D694-T696 VanDerWaalsContact C-N 3.3Å; D694-T696 PolarHBondContact O-N 3.39Å; T696-Q698 VanDerWaalsContact C-N 3.3Å; T696-Q698 PolarHBondContact O-N 3.24Å; T696-L699 WeakPolarHBondContact O-CB 3.39Å; T696-L699 PolarHBondContact O-N 2.93Å
697N83.8Confident81.1Confident9 Ų954 Ų545%0.04825%0.254CS..Hα-helixtrans-68.5-30.1-179.4-159.519.3000112.9R599 L600 S666 L693 D694 R695R599-N697 WeakPolarHBondContact CD-OD1 3.46Å; R599-N697 PolarHBondContact NE-O 2.97Å; R599-N697 PolarHBondContact NE-OD1 3.05Å; R599-N697 PolarHBondContact NH2-O 2.9Å; L600-N697 HydrophobicContact CD2-CB 4.39Å; S666-N697 PolarHBondContact O-ND2 3.34Å; L693-N697 WeakPolarHBondContact O-CB 3.31Å; L693-N697 PolarHBondContact O-N 3.32Å; D694-N697 PolarHBondContact O-N 3.41Å; R695-N697 PolarHBondContact O-N 3.15Å
698Q84.2Confident83.1Confident110 Ų11053.5 Ų53.551%0.51425%0.252SS..Hα-helixtrans-82.6-7.4177.9-69.6172.426.200114.2D694 R695 T696D694-Q698 WeakPolarHBondContact O-CB 3.36Å; D694-Q698 WeakPolarHBondContact O-CG 3.46Å; D694-Q698 PolarHBondContact O-N 3.28Å; R695-Q698 PolarHBondContact O-N 3.35Å; T696-Q698 VanDerWaalsContact C-N 3.3Å; T696-Q698 PolarHBondContact O-N 3.24Å
699L86.5Confident84.9Confident50 Ų5047 Ų4726%0.26222%0.224SC..SBendtrans-63.3144175.6-70.3172.7000111.1R599 C603 F607 R695 T696R599-L699 PolarHBondContact NH2-O 3.16Å; C603-L699 HydrophobicContact CB-CB 4.4Å; F607-L699 HydrophobicContact CB-CD1 3.6Å; F607-L699 HydrophobicContact CD1-CD1 4.31Å; F607-L699 HydrophobicContact CD2-CD1 3.98Å; F607-L699 HydrophobicContact CG-CD1 3.72Å; R695-L699 WeakPolarHBondContact O-CG 3.4Å; R695-L699 PolarHBondContact O-N 3.15Å; T696-L699 WeakPolarHBondContact O-CB 3.39Å; T696-L699 PolarHBondContact O-N 2.93Å
700S85.6Confident86.7Confident77 Ų7740.8 Ų40.854%0.53820%0.197SC..PPolyproline II helixtrans-65.1139.1168.550.60000109.9A751S700-A751 WeakPolarHBondContact OG-CB 3.47Å
701L88.1Confident87.8Confident62 Ų6238.2 Ų38.233%0.32518%0.184SC..PPolyproline II helixtrans-60.1139.9171.7-63177.2000109.4L655L655-L701 HydrophobicContact CD1-CB 4.15Å; L655-L701 HydrophobicContact CD1-CD1 4.37Å; L655-L701 HydrophobicContact CD1-CD2 4.36Å
702A88.8Confident88.5Confident7 Ų738.3 Ų38.36%0.05818%0.184CC..PPolyproline II helixtrans-70.8151.9177.900000111H602 L655 R704 L707 L750H602-A702 PolarHBondContact NE2-N 3.4Å; H602-A702 VanDerWaalsContact NE2-N 3.13Å; L655-A702 WeakPolarHBondContact CD2-O 3.3Å; A702-R704 PolarHBondContact O-N 3.25Å; A702-L707 HydrophobicContact CB-CD1 3.38Å; A702-L707 HydrophobicContact CB-CG 4.07Å; A702-L750 HydrophobicContact CB-CB 3.63Å
703N89.5Confident88.8Confident46 Ų4638 Ų3825%0.24618%0.182CC..PPolyproline II helixtrans-73.5124-180-179.3-77.3000109.6K705 N706 L707 L750 V752N703-K705 VanDerWaalsContact C-N 3.32Å; N703-K705 PolarHBondContact O-N 3.09Å; N703-K705 WeakPolarHBondContact OD1-CB 3.37Å; N703-K705 PolarHBondContact OD1-N 2.62Å; N703-N706 HydrophobicContact CB-CB 3.82Å; N703-N706 WeakPolarHBondContact O-CB 3.39Å; N703-N706 PolarHBondContact O-N 3.49Å; N703-N706 PolarHBondContact OD1-N 3.33Å; N703-L707 PolarHBondContact O-N 2.56Å; N703-L750 PolarHBondContact N-O 3.06Å; N703-V752 WeakPolarHBondContact CB-O 3.47Å
704R90.4Very high89.1Confident128 Ų12837.6 Ų37.648%0.48318%0.18SC..Hα-helixtrans-55.4-42.9-177.3-172.6-179.2177.7100.58113.2L652 L655 D659 A702 E708L652-R704 HydrophobicContact CD1-CG 4Å; L655-R704 HydrophobicContact CD2-CB 4.02Å; L655-R704 HydrophobicContact CD2-CG 4.47Å; D659-R704 IonicContact OD2-NH1 2.66Å; A702-R704 PolarHBondContact O-N 3.25Å; R704-E708 WeakPolarHBondContact O-CB 3.44Å; R704-E708 PolarHBondContact O-N 3.34Å
705K87.7Confident89.6Confident92 Ų9236.5 Ų36.540%0.417%0.174SC..Hα-helixtrans-67.6-39.3178.1-69.9179174.5171.50111N703 E708 L709 V754 E756N703-K705 VanDerWaalsContact C-N 3.32Å; N703-K705 PolarHBondContact O-N 3.09Å; N703-K705 WeakPolarHBondContact OD1-CB 3.37Å; N703-K705 PolarHBondContact OD1-N 2.62Å; K705-E708 PolarHBondContact O-N 3.33Å; K705-L709 VanDerWaalsContact O-CG 3.31Å; K705-L709 WeakPolarHBondContact O-CG 3.24Å; K705-L709 PolarHBondContact O-N 3.48Å; K705-V754 HydrophobicContact CB-CB 4.3Å; K705-V754 HydrophobicContact CB-CG2 4.36Å; K705-E756 IonicContact NZ-OE1 3.7Å; K705-E756 PolarHBondContact NZ-OE1 3.29Å
706N90.7Very high89.8Confident0 Ų032.8 Ų32.80%016%0.16CC..Hα-helixtrans-62.9-47176.4-169-3.9000112N703 E708 L709 H710 I745 D749 L750 V752 V754N703-N706 HydrophobicContact CB-CB 3.82Å; N703-N706 WeakPolarHBondContact O-CB 3.39Å; N703-N706 PolarHBondContact O-N 3.49Å; N703-N706 PolarHBondContact OD1-N 3.33Å; N706-E708 VanDerWaalsContact C-N 3.34Å; N706-E708 PolarHBondContact O-N 2.9Å; N706-L709 PolarHBondContact O-N 2.99Å; N706-H710 PolarHBondContact O-N 3.37Å; N706-H710 PolarHBondContact O-ND1 2.92Å; N706-H710 PolarHBondContact OD1-CE1 3.23Å; N706-H710 PolarHBondContact OD1-ND1 2.92Å; N706-I745 VanDerWaalsContact OD1-CG2 3.24Å; N706-I745 WeakPolarHBondContact OD1-CG2 3.43Å; N706-D749 PolarHBondContact ND2-O 3.29Å; N706-L750 PolarHBondContact ND2-O 2.95Å; N706-V752 PolarHBondContact ND2-O 2.68Å; N706-V754 HydrophobicContact CB-CG2 3.75Å
707L91.3Very high89.9Confident0 Ų032.8 Ų32.80%016%0.16CC..Hα-helixtrans-58.3-44.7173.8-88.8148.9000112.3I648 C651 L652 L655 A702 N703 L709 H710 R711 L750I648-L707 HydrophobicContact CD1-CD2 4.46Å; I648-L707 HydrophobicContact CG2-CD2 4.31Å; C651-L707 HydrophobicContact CB-CD2 4Å; L652-L707 HydrophobicContact CD1-CB 4.03Å; L655-L707 HydrophobicContact CD2-CD1 3.65Å; A702-L707 HydrophobicContact CB-CD1 3.38Å; A702-L707 HydrophobicContact CB-CG 4.07Å; N703-L707 PolarHBondContact O-N 2.56Å; L707-L709 VanDerWaalsContact C-N 3.34Å; L707-L709 PolarHBondContact O-N 2.96Å; L707-H710 PolarHBondContact O-N 3.31Å; L707-R711 WeakPolarHBondContact O-CB 3.22Å; L707-R711 PolarHBondContact O-N 3.28Å; L707-L750 HydrophobicContact CD2-CD1 4.24Å
708E91Very high90.2Very high47 Ų4732.8 Ų32.822%0.2216%0.16CC..Hα-helixtrans-64.1-39.1177.9-179.355.3-154.500111.8L652 R704 K705 N706 R711 Q712L652-E708 VanDerWaalsContact CD2-OE2 3.26Å; L652-E708 WeakPolarHBondContact CD2-OE2 3.36Å; R704-E708 WeakPolarHBondContact O-CB 3.44Å; R704-E708 PolarHBondContact O-N 3.34Å; K705-E708 PolarHBondContact O-N 3.33Å; N706-E708 VanDerWaalsContact C-N 3.34Å; N706-E708 PolarHBondContact O-N 2.9Å; E708-R711 WeakPolarHBondContact O-CB 3.26Å; E708-R711 PolarHBondContact O-N 3.21Å; E708-R711 IonicContact OE1-CZ 3.21Å; E708-R711 IonicContact OE1-NE 3.16Å; E708-R711 PolarHBondContact OE1-NE 3Å; E708-R711 IonicContact OE1-NH2 2.81Å; E708-R711 PolarHBondContact OE1-NH2 3.31Å; E708-R711 IonicContact OE2-CZ 2.88Å; E708-R711 IonicContact OE2-NE 3.79Å; E708-R711 PolarHBondContact OE2-NE 3.11Å; E708-R711 IonicContact OE2-NH2 2.7Å; E708-Q712 WeakPolarHBondContact O-CB 3.37Å; E708-Q712 VanDerWaalsContact O-CG 3.25Å; E708-Q712 WeakPolarHBondContact O-CG 3.41Å; E708-Q712 PolarHBondContact O-N 2.86Å; E708-Q712 PolarHBondContact OE1-NE2 2.88Å
709L90.9Very high90.4Very high10 Ų1027.7 Ų27.75%0.05214%0.136CC..Hα-helixtrans-61.8-44173-72.8171000111.7K705 N706 L707 Q712 L713 F738 T742 F746 V754K705-L709 VanDerWaalsContact O-CG 3.31Å; K705-L709 WeakPolarHBondContact O-CG 3.24Å; K705-L709 PolarHBondContact O-N 3.48Å; N706-L709 PolarHBondContact O-N 2.99Å; L707-L709 VanDerWaalsContact C-N 3.34Å; L707-L709 PolarHBondContact O-N 2.96Å; L709-Q712 PolarHBondContact O-N 3.01Å; L709-L713 WeakPolarHBondContact O-CB 3.47Å; L709-L713 PolarHBondContact O-N 3.36Å; L709-F738 HydrophobicContact CD2-CD1 4.06Å; L709-F738 HydrophobicContact CD2-CE1 4.29Å; L709-T742 HydrophobicContact CD1-CG2 3.87Å; L709-F746 HydrophobicContact CB-CE1 3.97Å; L709-F746 HydrophobicContact CB-CZ 4.4Å; L709-F746 WeakPolarHBondContact O-CE1 3.48Å; L709-V754 HydrophobicContact CD1-CG1 4.08Å; L709-V754 HydrophobicContact CD1-CG2 4.3Å
710H93.4Very high90.4Very high3 Ų325.5 Ų25.51%0.01413%0.126CC..Hα-helixtrans-62.7-42.2175.7-7979.5000111.8W609 I648 N706 L707 L713 L714 F747W609-H710 AromaticContact CZ2-CD2 3.78Å; I648-H710 HydrophobicContact CG2-CB 4.3Å; N706-H710 PolarHBondContact O-N 3.37Å; N706-H710 PolarHBondContact O-ND1 2.92Å; N706-H710 PolarHBondContact OD1-CE1 3.23Å; N706-H710 PolarHBondContact OD1-ND1 2.92Å; L707-H710 PolarHBondContact O-N 3.31Å; H710-L713 PolarHBondContact O-N 2.98Å; H710-L714 WeakPolarHBondContact O-CG 3.46Å; H710-L714 PolarHBondContact O-N 2.86Å; H710-F747 PolarHBondContact NE2-N 2.85Å
711R94.7Very high90.3Very high25 Ų2522.8 Ų22.89%0.09411%0.107CC..Hα-helixtrans-59.1-47.9175.5-163.7-171.669.179.6-0.5110.8I648 L707 E708 L713 L714 L715 E796I648-R711 HydrophobicContact CG2-CB 3.76Å; I648-R711 HydrophobicContact CG2-CG 4.29Å; L707-R711 WeakPolarHBondContact O-CB 3.22Å; L707-R711 PolarHBondContact O-N 3.28Å; E708-R711 WeakPolarHBondContact O-CB 3.26Å; E708-R711 PolarHBondContact O-N 3.21Å; E708-R711 IonicContact OE1-CZ 3.21Å; E708-R711 IonicContact OE1-NE 3.16Å; E708-R711 PolarHBondContact OE1-NE 3Å; E708-R711 IonicContact OE1-NH2 2.81Å; E708-R711 PolarHBondContact OE1-NH2 3.31Å; E708-R711 IonicContact OE2-CZ 2.88Å; E708-R711 IonicContact OE2-NE 3.79Å; E708-R711 PolarHBondContact OE2-NE 3.11Å; E708-R711 IonicContact OE2-NH2 2.7Å; R711-L713 PolarHBondContact O-N 3.48Å; R711-L714 PolarHBondContact O-N 3.14Å; R711-L715 VanDerWaalsContact O-CB 3.32Å; R711-L715 WeakPolarHBondContact O-CB 3.45Å; R711-L715 PolarHBondContact O-N 2.99Å; R711-E796 IonicContact CZ-OE1 3.95Å; R711-E796 IonicContact NH1-OE1 3.39Å; R711-E796 PolarHBondContact NH1-OE1 3.13Å
712Q92.8Very high89.9Confident16 Ų1622.1 Ų22.18%0.07510%0.103CC..Hα-helixtrans-61.4-43.8176.9-73.1178.620.600111.9E708 L709 L715 T716 F738 A800E708-Q712 WeakPolarHBondContact O-CB 3.37Å; E708-Q712 VanDerWaalsContact O-CG 3.25Å; E708-Q712 WeakPolarHBondContact O-CG 3.41Å; E708-Q712 PolarHBondContact O-N 2.86Å; E708-Q712 PolarHBondContact OE1-NE2 2.88Å; L709-Q712 PolarHBondContact O-N 3.01Å; Q712-L715 PolarHBondContact O-N 2.88Å; Q712-T716 VanDerWaalsContact O-CG2 3.25Å; Q712-T716 WeakPolarHBondContact O-CG2 3.45Å; Q712-T716 PolarHBondContact O-N 3.38Å; Q712-T716 PolarHBondContact O-OG1 3.13Å; Q712-F738 HydrophobicContact CB-CE1 3.87Å; Q712-F738 HydrophobicContact CB-CZ 3.94Å; Q712-A800 HydrophobicContact CG-CB 3.89Å; Q712-A800 PolarHBondContact NE2-O 3.05Å
713L92.6Very high89.1Confident3 Ų321.9 Ų21.92%0.01610%0.101CC..Hα-helixtrans-61.8-45.6178.3-179.366.3000111.3F621 L709 H710 R711 L715 T716 A717 I735 F738 F746 F747F621-L713 HydrophobicContact CD1-CD1 4.17Å; F621-L713 HydrophobicContact CD1-CG 4.46Å; F621-L713 HydrophobicContact CE1-CD1 3.55Å; F621-L713 HydrophobicContact CE1-CD2 4.19Å; F621-L713 HydrophobicContact CE1-CG 3.67Å; F621-L713 HydrophobicContact CE2-CD2 4.32Å; F621-L713 HydrophobicContact CE2-CG 4.32Å; F621-L713 HydrophobicContact CZ-CD1 4.04Å; F621-L713 HydrophobicContact CZ-CD2 4.06Å; F621-L713 HydrophobicContact CZ-CG 3.6Å; L709-L713 WeakPolarHBondContact O-CB 3.47Å; L709-L713 PolarHBondContact O-N 3.36Å; H710-L713 PolarHBondContact O-N 2.98Å; R711-L713 PolarHBondContact O-N 3.48Å; L713-L715 PolarHBondContact O-N 2.87Å; L713-T716 WeakPolarHBondContact CA-OG1 3.41Å; L713-T716 PolarHBondContact O-N 3.49Å; L713-T716 PolarHBondContact O-OG1 3.33Å; L713-A717 PolarHBondContact O-N 3.29Å; L713-A717 VanDerWaalsContact O-N 3.09Å; L713-I735 HydrophobicContact CD1-CG1 4.27Å; L713-F738 HydrophobicContact CB-CE2 4.23Å; L713-F738 HydrophobicContact CB-CZ 4.11Å; L713-F738 HydrophobicContact CD1-CD2 4.16Å; L713-F738 HydrophobicContact CD1-CE2 3.66Å; L713-F738 HydrophobicContact CD1-CZ 4.38Å; L713-F746 HydrophobicContact CB-CD1 4.28Å; L713-F746 HydrophobicContact CB-CE1 3.75Å; L713-F746 HydrophobicContact CB-CZ 4.09Å; L713-F746 HydrophobicContact CD2-CB 4.14Å; L713-F746 HydrophobicContact CD2-CD1 3.48Å; L713-F746 VanDerWaalsContact CD2-CD1 3.48Å; L713-F746 HydrophobicContact CD2-CD2 4.02Å; L713-F746 HydrophobicContact CD2-CE1 3.77Å; L713-F746 HydrophobicContact CD2-CE2 4.28Å; L713-F746 HydrophobicContact CD2-CG 3.62Å; L713-F746 HydrophobicContact CD2-CZ 4.16Å; L713-F746 HydrophobicContact CG-CD1 4.46Å; L713-F746 HydrophobicContact CG-CE1 4.29Å; L713-F746 HydrophobicContact CG-CZ 4.48Å; L713-F747 HydrophobicContact CD2-CZ 4.09Å
714L93.3Very high88.3Confident4 Ų421.6 Ų21.62%0.02111%0.109CC..Hα-helixtrans-65-40.2177.3-67.5169.3000111.9W609 F621 L641 L644 H645 I648 H710 R711 T716 A717 L718W609-L714 HydrophobicContact CH2-CD1 4.02Å; W609-L714 HydrophobicContact CZ3-CD1 4.1Å; F621-L714 HydrophobicContact CE2-CD2 4.24Å; L641-L714 HydrophobicContact CD2-CD2 3.96Å; L644-L714 HydrophobicContact CB-CD1 4.14Å; L644-L714 HydrophobicContact CB-CD2 4.18Å; H645-L714 HydrophobicContact CB-CB 4.1Å; I648-L714 HydrophobicContact CB-CD1 4.22Å; I648-L714 HydrophobicContact CG1-CD1 3.71Å; H710-L714 WeakPolarHBondContact O-CG 3.46Å; H710-L714 PolarHBondContact O-N 2.86Å; R711-L714 PolarHBondContact O-N 3.14Å; L714-T716 VanDerWaalsContact C-N 3.35Å; L714-T716 PolarHBondContact O-N 2.89Å; L714-A717 PolarHBondContact O-N 2.99Å; L714-L718 WeakPolarHBondContact O-CG 3.48Å; L714-L718 PolarHBondContact O-N 3.18Å
715L92.9Very high87.2Confident0 Ų020.9 Ų20.90%012%0.115CC..Hα-helixtrans-63.2-38.6175.2-17660.9000112.2R711 Q712 L713 L718 S719 L793 E796 L797R711-L715 VanDerWaalsContact O-CB 3.32Å; R711-L715 WeakPolarHBondContact O-CB 3.45Å; R711-L715 PolarHBondContact O-N 2.99Å; Q712-L715 PolarHBondContact O-N 2.88Å; L713-L715 PolarHBondContact O-N 2.87Å; L715-L718 PolarHBondContact O-N 3.33Å; L715-S719 PolarHBondContact O-N 3.12Å; L715-S719 PolarHBondContact O-OG 3.16Å; L715-L793 HydrophobicContact CD1-CB 4.4Å; L715-L793 HydrophobicContact CD1-CD2 3.8Å; L715-E796 HydrophobicContact CD2-CB 4.06Å; L715-E796 HydrophobicContact CD2-CG 3.82Å; L715-L797 HydrophobicContact CD2-CB 4.02Å; L715-L797 HydrophobicContact CD2-CD1 4.11Å; L715-L797 HydrophobicContact CG-CB 4.26Å; L715-L797 HydrophobicContact CG-CD1 4.22Å
716T91Very high86.6Confident0 Ų017.8 Ų17.80%010%0.101CC..Hα-helixtrans-65-37.7174.2570000113.1Q712 L713 L714 S719 A720 F738 L797 W801Q712-T716 VanDerWaalsContact O-CG2 3.25Å; Q712-T716 WeakPolarHBondContact O-CG2 3.45Å; Q712-T716 PolarHBondContact O-N 3.38Å; Q712-T716 PolarHBondContact O-OG1 3.13Å; L713-T716 WeakPolarHBondContact CA-OG1 3.41Å; L713-T716 PolarHBondContact O-N 3.49Å; L713-T716 PolarHBondContact O-OG1 3.33Å; L714-T716 VanDerWaalsContact C-N 3.35Å; L714-T716 PolarHBondContact O-N 2.89Å; T716-S719 PolarHBondContact O-OG 3.48Å; T716-A720 WeakPolarHBondContact O-CB 3.47Å; T716-A720 PolarHBondContact O-N 3.21Å; T716-A720 VanDerWaalsContact O-N 3.07Å; T716-F738 HydrophobicContact CG2-CE2 4.36Å; T716-F738 HydrophobicContact CG2-CZ 4.28Å; T716-L797 HydrophobicContact CG2-CD1 3.58Å; T716-L797 HydrophobicContact CG2-CD2 3.87Å; T716-L797 HydrophobicContact CG2-CG 4.37Å; T716-W801 HydrophobicContact CG2-CH2 3.43Å; T716-W801 VanDerWaalsContact CG2-CH2 3.43Å; T716-W801 HydrophobicContact CG2-CZ2 3.17Å
717A89.9Confident85.8Confident0 Ų020.9 Ų20.90%012%0.123CC..Hα-helixtrans-68.8-38.7175.800000111.4F621 L641 L713 L714 A720 C721 L734F621-A717 HydrophobicContact CE1-CB 3.75Å; F621-A717 HydrophobicContact CZ-CB 3.54Å; L641-A717 HydrophobicContact CD1-CB 3.87Å; L641-A717 HydrophobicContact CD2-CB 3.97Å; L713-A717 PolarHBondContact O-N 3.29Å; L713-A717 VanDerWaalsContact O-N 3.09Å; L714-A717 PolarHBondContact O-N 2.99Å; A717-A720 PolarHBondContact O-N 3.49Å; A717-C721 PolarHBondContact O-N 3.11Å; A717-C721 PolarHBondContact O-SG 3.26Å; A717-L734 HydrophobicContact CB-CD1 3.93Å
718L90.1Very high85.1Confident9 Ų922.4 Ų22.45%0.04713%0.129CC..Hα-helixtrans-62.7-46.5174.9-77.2170.7000112.4L641 C642 H645 L714 L715 A720 C721 D722 L793L641-L718 HydrophobicContact CB-CD2 3.6Å; L641-L718 HydrophobicContact CB-CG 4.02Å; C642-L718 HydrophobicContact CB-CD2 4.21Å; H645-L718 HydrophobicContact CB-CD1 3.57Å; L714-L718 WeakPolarHBondContact O-CG 3.48Å; L714-L718 PolarHBondContact O-N 3.18Å; L715-L718 PolarHBondContact O-N 3.33Å; L718-A720 VanDerWaalsContact C-N 3.31Å; L718-A720 PolarHBondContact O-N 3.37Å; L718-C721 WeakPolarHBondContact O-CB 3.31Å; L718-C721 PolarHBondContact O-N 2.94Å; L718-C721 VanDerWaalsContact O-N 3.16Å; L718-D722 PolarHBondContact O-N 3.22Å; L718-L793 HydrophobicContact CB-CD1 4.33Å
719S86.8Confident84Confident2 Ų220.5 Ų20.51%0.01412%0.122CC..Hα-helixtrans-65.1-35.6177.665.40000112.3L715 T716 D722 S723 V775L715-S719 PolarHBondContact O-N 3.12Å; L715-S719 PolarHBondContact O-OG 3.16Å; T716-S719 PolarHBondContact O-OG 3.48Å; S719-D722 PolarHBondContact O-N 3.02Å; S719-S723 PolarHBondContact O-N 3.41Å; S719-V775 WeakPolarHBondContact O-CG1 3.36Å
720A86.1Confident83.1Confident5 Ų525.1 Ų25.14%0.04115%0.147CC..Hα-helixtrans-69.3-30.6173.500000113.2T716 A717 L718 D722 S723 G724 Y726 L734T716-A720 WeakPolarHBondContact O-CB 3.47Å; T716-A720 PolarHBondContact O-N 3.21Å; T716-A720 VanDerWaalsContact O-N 3.07Å; A717-A720 PolarHBondContact O-N 3.49Å; L718-A720 VanDerWaalsContact C-N 3.31Å; L718-A720 PolarHBondContact O-N 3.37Å; A720-D722 VanDerWaalsContact C-N 3.32Å; A720-S723 PolarHBondContact O-OG 3.27Å; A720-G724 PolarHBondContact O-N 2.86Å; A720-Y726 HydrophobicContact CB-CD2 4.13Å; A720-Y726 HydrophobicContact CB-CG 4.3Å; A720-Y726 WeakPolarHBondContact O-CB 3.49Å; A720-Y726 PolarHBondContact O-N 2.93Å; A720-L734 HydrophobicContact CB-CD1 4.24Å; A720-L734 HydrophobicContact CB-CD2 4.21Å
721C84.9Confident82.1Confident20 Ų2025 Ų2514%0.13515%0.147CC..Hα-helixtrans-64.7-37.5172.8-71.70000111.5K638 A717 L718 G724 Y726K638-C721 HydrophobicContact CD-CB 4.28Å; K638-C721 HydrophobicContact CG-CB 4.21Å; A717-C721 PolarHBondContact O-N 3.11Å; A717-C721 PolarHBondContact O-SG 3.26Å; L718-C721 WeakPolarHBondContact O-CB 3.31Å; L718-C721 PolarHBondContact O-N 2.94Å; L718-C721 VanDerWaalsContact O-N 3.16Å; C721-G724 WeakPolarHBondContact O-CA 3.36Å; C721-G724 PolarHBondContact O-N 3.28Å; C721-Y726 WeakPolarHBondContact SG-CD1 3.3Å
722D78.8Confident81.3Confident47 Ų4727.2 Ų27.225%0.25117%0.166SC..Hα-helixtrans-69.7-33.5-179.4-75.9-10.6000113.3K638 L718 S719 A720 G724 R782 L793K638-D722 WeakPolarHBondContact CE-OD1 3.5Å; K638-D722 IonicContact NZ-OD1 3.85Å; K638-D722 PolarHBondContact NZ-OD1 2.71Å; L718-D722 PolarHBondContact O-N 3.22Å; S719-D722 PolarHBondContact O-N 3.02Å; A720-D722 VanDerWaalsContact C-N 3.32Å; D722-G724 PolarHBondContact O-N 3.48Å; D722-R782 PolarHBondContact O-NH1 2.92Å; D722-L793 VanDerWaalsContact OD2-CD1 3.22Å; D722-L793 WeakPolarHBondContact OD2-CD1 3.46Å
723S73.2Confident80.8Confident3 Ų329.3 Ų29.32%0.02119%0.186CC..THydrogen-bonded Turntrans-72.2-12.2169.664.70000113.4S719 A720 N725 D778 R782S719-S723 PolarHBondContact O-N 3.41Å; A720-S723 PolarHBondContact O-OG 3.27Å; S723-N725 PolarHBondContact O-N 2.66Å; S723-N725 VanDerWaalsContact O-N 3.15Å; S723-D778 WeakPolarHBondContact CB-OD2 3.26Å; S723-R782 PolarHBondContact O-NE 3.22Å; S723-R782 PolarHBondContact O-NH1 2.7Å; S723-R782 PolarHBondContact O-NH2 2.92Å
724G71.1Confident80.5Confident40 Ų4029.7 Ų29.741%0.41219%0.188SC..THydrogen-bonded Turntrans60.813.4-175.200000114.7A720 C721 D722A720-G724 PolarHBondContact O-N 2.86Å; C721-G724 WeakPolarHBondContact O-CA 3.36Å; C721-G724 PolarHBondContact O-N 3.28Å; D722-G724 PolarHBondContact O-N 3.48Å
725N68.7Low80.1Confident113 Ų11330.5 Ų30.560%0.60419%0.192SC*.  trans-87.64.8172.3-79.4-20.4000112.2S723 D778S723-N725 PolarHBondContact O-N 2.66Å; S723-N725 VanDerWaalsContact O-N 3.15Å; N725-D778 PolarHBondContact ND2-OD1 3.28Å; N725-D778 PolarHBondContact ND2-OD2 3.28Å
726Y74.8Confident79.9Confident27 Ų2736.2 Ų36.211%0.10622%0.219CC..  trans-94.3125176.8-169.8-113000111.7L620 L641 A720 C721 F728 L734L620-Y726 PolarHBondContact O-OH 3.05Å; L641-Y726 HydrophobicContact CD1-CE1 4.22Å; A720-Y726 HydrophobicContact CB-CD2 4.13Å; A720-Y726 HydrophobicContact CB-CG 4.3Å; A720-Y726 WeakPolarHBondContact O-CB 3.49Å; A720-Y726 PolarHBondContact O-N 2.93Å; C721-Y726 WeakPolarHBondContact SG-CD1 3.3Å; Y726-F728 HydrophobicContact CD1-CD1 4.02Å; Y726-F728 AromaticContact CD1-CE1 3.91Å; Y726-F728 HydrophobicContact CD1-CE1 3.91Å; Y726-F728 HydrophobicContact CD1-CG 4.42Å; Y726-F728 HydrophobicContact CD1-CZ 4.21Å; Y726-F728 AromaticContact CE1-CD1 3.47Å; Y726-F728 HydrophobicContact CE1-CD1 3.47Å; Y726-F728 VanDerWaalsContact CE1-CD1 3.47Å; Y726-F728 AromaticContact CE1-CE1 3.58Å; Y726-F728 HydrophobicContact CE1-CE1 3.58Å; Y726-F728 HydrophobicContact CE1-CG 4.15Å; Y726-F728 HydrophobicContact CE1-CZ 4.33Å; Y726-L734 HydrophobicContact CD2-CD1 3.76Å; Y726-L734 HydrophobicContact CD2-CG 4.48Å; Y726-L734 HydrophobicContact CE2-CD1 3.35Å; Y726-L734 HydrophobicContact CE2-CG 4.19Å
727S74Confident79.7Confident65 Ų6536.9 Ų36.946%0.45522%0.222SC..  trans-108.6122.8166.949.40000109.2G729 N730S727-G729 PolarHBondContact O-N 3.34Å; S727-N730 PolarHBondContact O-N 3.24Å; S727-N730 VanDerWaalsContact O-N 3.12Å; S727-N730 WeakPolarHBondContact OG-CB 3.43Å
728F76.1Confident79.7Confident32 Ų3236.9 Ų36.914%0.1422%0.222CC..THydrogen-bonded Turntrans-60.5135.7179.4-64.8-77.8000110.6L620 F633 L641 Y726 N730L620-F728 HydrophobicContact CD2-CD1 3.62Å; L620-F728 HydrophobicContact CD2-CE1 3.94Å; F633-F728 HydrophobicContact CB-CB 3.86Å; F633-F728 HydrophobicContact CB-CD1 4.48Å; F633-F728 HydrophobicContact CB-CD2 4.32Å; F633-F728 HydrophobicContact CB-CG 3.98Å; F633-F728 VanDerWaalsContact O-CD2 3.32Å; F633-F728 WeakPolarHBondContact O-CD2 3.48Å; F633-F728 WeakPolarHBondContact O-CE2 3.35Å; L641-F728 HydrophobicContact CD1-CE1 3.85Å; Y726-F728 HydrophobicContact CD1-CD1 4.02Å; Y726-F728 AromaticContact CD1-CE1 3.91Å; Y726-F728 HydrophobicContact CD1-CE1 3.91Å; Y726-F728 HydrophobicContact CD1-CG 4.42Å; Y726-F728 HydrophobicContact CD1-CZ 4.21Å; Y726-F728 AromaticContact CE1-CD1 3.47Å; Y726-F728 HydrophobicContact CE1-CD1 3.47Å; Y726-F728 VanDerWaalsContact CE1-CD1 3.47Å; Y726-F728 AromaticContact CE1-CE1 3.58Å; Y726-F728 HydrophobicContact CE1-CE1 3.58Å; Y726-F728 HydrophobicContact CE1-CG 4.15Å; Y726-F728 HydrophobicContact CE1-CZ 4.33Å; F728-N730 VanDerWaalsContact C-N 3.3Å; F728-N730 PolarHBondContact O-N 3.1Å
729G67.8Low79.4Confident6 Ų636.7 Ų36.76%0.06222%0.222CC..THydrogen-bonded Turntrans87.6-15.4-174.700000114.7L620 F621 I622 C623 S727L620-G729 PolarHBondContact O-N 3.29Å; F621-G729 CarbonylContact O-C 3.41Å; I622-G729 CarbonylContact C-O 3.58Å; C623-G729 WeakPolarHBondContact CB-O 3.35Å; C623-G729 PolarHBondContact N-O 3.48Å; S727-G729 PolarHBondContact O-N 3.34Å
730N72.1Confident79.2Confident108 Ų10843.5 Ų43.558%0.57825%0.253SS*.BIsolated β-bridgetrans-112.231.7176.2-68.6-31.6000112.1S727 F728 S732S727-N730 PolarHBondContact O-N 3.24Å; S727-N730 VanDerWaalsContact O-N 3.12Å; S727-N730 WeakPolarHBondContact OG-CB 3.43Å; F728-N730 VanDerWaalsContact C-N 3.3Å; F728-N730 PolarHBondContact O-N 3.1Å; N730-S732 PolarHBondContact O-N 3.13Å
731G72.9Confident78.9Confident1 Ų146.5 Ų46.51%0.0127%0.273CS..THydrogen-bonded Turntrans-78.78.7178.600000114.7F621 A733 L734 I735F621-G731 CarbonylContact O-C 3.43Å; F621-G731 VanDerWaalsContact O-CA 3.3Å; F621-G731 WeakPolarHBondContact O-CA 3.36Å; F621-G731 PolarHBondContact O-N 3.29Å; G731-A733 PolarHBondContact O-N 3.02Å; G731-L734 WeakPolarHBondContact O-CB 3.47Å; G731-L734 PolarHBondContact O-N 3.25Å; G731-I735 PolarHBondContact O-N 3.09Å
732S78.3Confident78.8Confident70 Ų7045.7 Ų45.749%0.4927%0.267SS..Hα-helixtrans-57.6-35.9178.757.50000112.4F621 N730 L734 I735 E736F621-S732 PolarHBondContact O-N 3.43Å; N730-S732 PolarHBondContact O-N 3.13Å; S732-L734 PolarHBondContact O-N 3.28Å; S732-I735 WeakPolarHBondContact O-CB 3.25Å; S732-I735 PolarHBondContact O-N 3.36Å; S732-I735 VanDerWaalsContact O-N 3.1Å; S732-E736 PolarHBondContact O-N 3.07Å
733A81.7Confident79.1Confident61 Ų6146.7 Ų46.750%0.50427%0.268SS..Hα-helixtrans-62.1-28.6174.800000113.2G731 E736G731-A733 PolarHBondContact O-N 3.02Å; A733-E736 PolarHBondContact O-N 3.4Å
734L86Confident79.4Confident10 Ų1052.9 Ų52.95%0.05230%0.3CS..Hα-helixtrans-73.3-35.8174.7-60.2-175.3000111.5F621 A717 A720 Y726 G731 S732 E736 L737 H771F621-L734 HydrophobicContact CE1-CB 4.46Å; F621-L734 HydrophobicContact CE1-CD1 4.17Å; A717-L734 HydrophobicContact CB-CD1 3.93Å; A720-L734 HydrophobicContact CB-CD1 4.24Å; A720-L734 HydrophobicContact CB-CD2 4.21Å; Y726-L734 HydrophobicContact CD2-CD1 3.76Å; Y726-L734 HydrophobicContact CD2-CG 4.48Å; Y726-L734 HydrophobicContact CE2-CD1 3.35Å; Y726-L734 HydrophobicContact CE2-CG 4.19Å; G731-L734 WeakPolarHBondContact O-CB 3.47Å; G731-L734 PolarHBondContact O-N 3.25Å; S732-L734 PolarHBondContact O-N 3.28Å; L734-E736 PolarHBondContact O-N 3.03Å; L734-L737 HydrophobicContact CD2-CD1 4.19Å; L734-L737 VanDerWaalsContact O-CB 3.3Å; L734-L737 WeakPolarHBondContact O-CB 3.47Å; L734-L737 PolarHBondContact O-N 3.01Å; L734-L737 VanDerWaalsContact O-N 3.13Å; L734-H771 VanDerWaalsContact CD2-CE1 3.49Å; L734-H771 WeakPolarHBondContact CD2-CE1 3.29Å
735I86Confident80.1Confident21 Ų2151.9 Ų51.911%0.10829%0.285CS..Hα-helixtrans-64.1-31.2176.2-58.5175.9000110.3F621 I622 L713 G731 S732 L737 F738 R743 F746 F747F621-I735 HydrophobicContact CB-CD1 4.22Å; F621-I735 HydrophobicContact CD1-CG1 4.34Å; I622-I735 HydrophobicContact CD1-CD1 4.28Å; I622-I735 HydrophobicContact CG1-CD1 4.29Å; L713-I735 HydrophobicContact CD1-CG1 4.27Å; G731-I735 PolarHBondContact O-N 3.09Å; S732-I735 WeakPolarHBondContact O-CB 3.25Å; S732-I735 PolarHBondContact O-N 3.36Å; S732-I735 VanDerWaalsContact O-N 3.1Å; I735-L737 PolarHBondContact O-N 3.39Å; I735-F738 PolarHBondContact O-N 3.43Å; I735-F738 VanDerWaalsContact O-N 3.09Å; I735-R743 HydrophobicContact CG2-CB 3.99Å; I735-R743 HydrophobicContact CG2-CG 3.85Å; I735-F746 HydrophobicContact CG2-CD2 4.21Å; I735-F746 HydrophobicContact CG2-CE2 4.42Å; I735-F747 HydrophobicContact CD1-CE2 4.26Å
736E86.8Confident80.8Confident121 Ų12146.9 Ų46.957%0.56526%0.258SS*.THydrogen-bonded Turntrans-65.3-19.7176.4-67.4-175.6172.700114S732 A733 L734 F738 R743S732-E736 PolarHBondContact O-N 3.07Å; A733-E736 PolarHBondContact O-N 3.4Å; L734-E736 PolarHBondContact O-N 3.03Å; E736-F738 PolarHBondContact O-N 3.41Å; E736-R743 PolarHBondContact O-NH2 3.25Å; E736-R743 VanDerWaalsContact O-NH2 3.12Å
737L88Confident81.2Confident14 Ų1447.1 Ų47.17%0.07326%0.26CS..THydrogen-bonded Turntrans-72.1-4.4173.8-57.2173.4000113.2L734 I735 P767 R768 H771 W801L734-L737 HydrophobicContact CD2-CD1 4.19Å; L734-L737 VanDerWaalsContact O-CB 3.3Å; L734-L737 WeakPolarHBondContact O-CB 3.47Å; L734-L737 PolarHBondContact O-N 3.01Å; L734-L737 VanDerWaalsContact O-N 3.13Å; I735-L737 PolarHBondContact O-N 3.39Å; L737-P767 HydrophobicContact CD2-CB 4.13Å; L737-R768 HydrophobicContact CB-CG 4.43Å; L737-R768 PolarHBondContact O-NE 3.23Å; L737-R768 PolarHBondContact O-NH2 2.89Å; L737-H771 HydrophobicContact CD1-CB 3.93Å; L737-H771 VanDerWaalsContact CD1-CG 3.46Å; L737-H771 HydrophobicContact CD2-CB 3.89Å; L737-W801 HydrophobicContact CB-CH2 4.38Å; L737-W801 HydrophobicContact CB-CZ2 4.47Å; L737-W801 HydrophobicContact CD1-CH2 4.04Å
738F88.9Confident81.6Confident0 Ų048.3 Ų48.30%026%0.261CS..SBendtrans-108.7148.3174.9-64.7-94.1000110.9L709 Q712 L713 T716 I735 E736 R743 F746 W801L709-F738 HydrophobicContact CD2-CD1 4.06Å; L709-F738 HydrophobicContact CD2-CE1 4.29Å; Q712-F738 HydrophobicContact CB-CE1 3.87Å; Q712-F738 HydrophobicContact CB-CZ 3.94Å; L713-F738 HydrophobicContact CB-CE2 4.23Å; L713-F738 HydrophobicContact CB-CZ 4.11Å; L713-F738 HydrophobicContact CD1-CD2 4.16Å; L713-F738 HydrophobicContact CD1-CE2 3.66Å; L713-F738 HydrophobicContact CD1-CZ 4.38Å; T716-F738 HydrophobicContact CG2-CE2 4.36Å; T716-F738 HydrophobicContact CG2-CZ 4.28Å; I735-F738 PolarHBondContact O-N 3.43Å; I735-F738 VanDerWaalsContact O-N 3.09Å; E736-F738 PolarHBondContact O-N 3.41Å; F738-R743 PolarHBondContact O-NE 3.35Å; F738-R743 PolarHBondContact O-NH2 3Å; F738-F746 HydrophobicContact CB-CE2 3.99Å; F738-F746 HydrophobicContact CB-CZ 4.21Å; F738-F746 HydrophobicContact CD1-CE2 4.39Å; F738-F746 AromaticContact CD1-CZ 3.76Å; F738-F746 HydrophobicContact CD1-CZ 3.76Å; F738-F746 HydrophobicContact CD2-CE2 4.17Å; F738-F746 HydrophobicContact CD2-CZ 4.08Å; F738-F746 HydrophobicContact CE1-CZ 4.12Å; F738-F746 HydrophobicContact CE2-CZ 4.42Å; F738-F746 AromaticContact CG-CE2 3.93Å; F738-F746 HydrophobicContact CG-CE2 3.93Å; F738-F746 AromaticContact CG-CZ 3.74Å; F738-F746 HydrophobicContact CG-CZ 3.74Å; F738-F746 HydrophobicContact CZ-CZ 4.44Å; F738-W801 HydrophobicContact CZ-CZ2 4.3Å
739P85Confident82Confident5 Ų549.4 Ų49.43%0.03227%0.269CS..  trans-61.3144.7179.7-19.129.4000112.5C741 T742 R743 P760 F761 V764P739-C741 PolarHBondContact O-N 2.87Å; P739-C741 VanDerWaalsContact O-N 3.11Å; P739-T742 WeakPolarHBondContact CD-OG1 3.27Å; P739-T742 PolarHBondContact O-N 3.5Å; P739-T742 PolarHBondContact O-OG1 2.89Å; P739-R743 PolarHBondContact O-N 2.88Å; P739-P760 HydrophobicContact CB-CB 3.68Å; P739-P760 HydrophobicContact CG-CB 4.14Å; P739-F761 HydrophobicContact CG-CD1 3.66Å; P739-F761 HydrophobicContact CG-CE1 3.72Å; P739-F761 HydrophobicContact CG-CG 4.1Å; P739-F761 HydrophobicContact CG-CZ 4.21Å; P739-V764 HydrophobicContact CG-CG2 4.14Å
740E81.6Confident82.9Confident145 Ų14549.2 Ų49.268%0.67827%0.266SS*.Hα-helixtrans-51.5-39.1-176.1-76179.2-179.200113.9T742 R743E740-T742 PolarHBondContact O-N 3.33Å; E740-R743 PolarHBondContact O-N 2.97Å; E740-R743 IonicContact OE1-NH1 3.8Å
741C79.8Confident83.6Confident67 Ų6745.7 Ų45.745%0.45325%0.252SS..Hα-helixtrans-62.7-24.3177.957.10000113.9P739P739-C741 PolarHBondContact O-N 2.87Å; P739-C741 VanDerWaalsContact O-N 3.11Å
742T82.7Confident84.2Confident3 Ų348.7 Ų48.72%0.01827%0.27CS..Hα-helixtrans-95.4-18.8-179.763.30000113.5L709 P739 E740 N744 I745 V754L709-T742 HydrophobicContact CD1-CG2 3.87Å; P739-T742 WeakPolarHBondContact CD-OG1 3.27Å; P739-T742 PolarHBondContact O-N 3.5Å; P739-T742 PolarHBondContact O-OG1 2.89Å; E740-T742 PolarHBondContact O-N 3.33Å; T742-N744 VanDerWaalsContact C-N 3.26Å; T742-N744 PolarHBondContact O-N 3.23Å; T742-I745 VanDerWaalsContact O-CB 3.27Å; T742-I745 WeakPolarHBondContact O-CB 3.04Å; T742-I745 WeakPolarHBondContact O-CG1 3.32Å; T742-I745 PolarHBondContact O-N 2.76Å; T742-V754 HydrophobicContact CG2-CG1 4.35Å
743R85.2Confident84.3Confident69 Ų6949.9 Ų49.926%0.2628%0.278SS..Hα-helixtrans-61.3-36-174.4-63.4-178.8-170.51640.8112.6I735 E736 F738 P739 E740 I745I735-R743 HydrophobicContact CG2-CB 3.99Å; I735-R743 HydrophobicContact CG2-CG 3.85Å; E736-R743 PolarHBondContact O-NH2 3.25Å; E736-R743 VanDerWaalsContact O-NH2 3.12Å; F738-R743 PolarHBondContact O-NE 3.35Å; F738-R743 PolarHBondContact O-NH2 3Å; P739-R743 PolarHBondContact O-N 2.88Å; E740-R743 PolarHBondContact O-N 2.97Å; E740-R743 IonicContact OE1-NH1 3.8Å; R743-I745 PolarHBondContact O-N 2.74Å
744N80.9Confident84.1Confident132 Ų13247.9 Ų47.971%0.70626%0.26SS*.THydrogen-bonded Turntrans-75.2-4.5178-65.8-16.5000113.4T742 N748T742-N744 VanDerWaalsContact C-N 3.26Å; T742-N744 PolarHBondContact O-N 3.23Å; N744-N748 PolarHBondContact O-ND2 3.48Å
745I84.4Confident83.4Confident19 Ų1951 Ų5110%0.09728%0.282CS..THydrogen-bonded Turntrans-89.1-27.5-178.6-53.1179.9000110.5N706 T742 R743 N748 V754N706-I745 VanDerWaalsContact OD1-CG2 3.24Å; N706-I745 WeakPolarHBondContact OD1-CG2 3.43Å; T742-I745 VanDerWaalsContact O-CB 3.27Å; T742-I745 WeakPolarHBondContact O-CB 3.04Å; T742-I745 WeakPolarHBondContact O-CG1 3.32Å; T742-I745 PolarHBondContact O-N 2.76Å; R743-I745 PolarHBondContact O-N 2.74Å; I745-N748 WeakPolarHBondContact O-CB 3.25Å; I745-N748 PolarHBondContact O-N 3.26Å; I745-V754 HydrophobicContact CD1-CB 4.21Å; I745-V754 HydrophobicContact CD1-CG1 3.76Å; I745-V754 HydrophobicContact CD1-CG2 3.84Å; I745-V754 HydrophobicContact CG2-CG2 4.44Å
746F84.6Confident82.1Confident9 Ų957.2 Ų57.24%0.03931%0.311CS..THydrogen-bonded Turntrans-60.6140.8176.4-61.2-56.1000111.2L709 L713 I735 F738 N748L709-F746 HydrophobicContact CB-CE1 3.97Å; L709-F746 HydrophobicContact CB-CZ 4.4Å; L709-F746 WeakPolarHBondContact O-CE1 3.48Å; L713-F746 HydrophobicContact CB-CD1 4.28Å; L713-F746 HydrophobicContact CB-CE1 3.75Å; L713-F746 HydrophobicContact CB-CZ 4.09Å; L713-F746 HydrophobicContact CD2-CB 4.14Å; L713-F746 HydrophobicContact CD2-CD1 3.48Å; L713-F746 VanDerWaalsContact CD2-CD1 3.48Å; L713-F746 HydrophobicContact CD2-CD2 4.02Å; L713-F746 HydrophobicContact CD2-CE1 3.77Å; L713-F746 HydrophobicContact CD2-CE2 4.28Å; L713-F746 HydrophobicContact CD2-CG 3.62Å; L713-F746 HydrophobicContact CD2-CZ 4.16Å; L713-F746 HydrophobicContact CG-CD1 4.46Å; L713-F746 HydrophobicContact CG-CE1 4.29Å; L713-F746 HydrophobicContact CG-CZ 4.48Å; I735-F746 HydrophobicContact CG2-CD2 4.21Å; I735-F746 HydrophobicContact CG2-CE2 4.42Å; F738-F746 HydrophobicContact CB-CE2 3.99Å; F738-F746 HydrophobicContact CB-CZ 4.21Å; F738-F746 HydrophobicContact CD1-CE2 4.39Å; F738-F746 AromaticContact CD1-CZ 3.76Å; F738-F746 HydrophobicContact CD1-CZ 3.76Å; F738-F746 HydrophobicContact CD2-CE2 4.17Å; F738-F746 HydrophobicContact CD2-CZ 4.08Å; F738-F746 HydrophobicContact CE1-CZ 4.12Å; F738-F746 HydrophobicContact CE2-CZ 4.42Å; F738-F746 AromaticContact CG-CE2 3.93Å; F738-F746 HydrophobicContact CG-CE2 3.93Å; F738-F746 AromaticContact CG-CZ 3.74Å; F738-F746 HydrophobicContact CG-CZ 3.74Å; F738-F746 HydrophobicContact CZ-CZ 4.44Å; F746-N748 PolarHBondContact O-N 2.92Å
747F82.8Confident81Confident31 Ų3156.7 Ų56.714%0.13631%0.312CS..THydrogen-bonded Turntrans6319.4-179.7-37.2-69.8000114.2C614 A617 K618 F621 I622 H710 L713 I735C614-F747 VanDerWaalsContact SG-C 3.6Å; C614-F747 VanDerWaalsContact SG-CA 3.55Å; C614-F747 PolarHBondContact SG-O 3.38Å; C614-F747 VanDerWaalsContact SG-O 3.4Å; A617-F747 HydrophobicContact CB-CD1 4.37Å; A617-F747 HydrophobicContact CB-CE1 4.2Å; K618-F747 VanDerWaalsContact CA-CE1 3.42Å; K618-F747 HydrophobicContact CB-CB 4.27Å; K618-F747 HydrophobicContact CB-CD1 3.71Å; K618-F747 HydrophobicContact CB-CD2 4.36Å; K618-F747 HydrophobicContact CB-CE1 4.14Å; K618-F747 HydrophobicContact CB-CG 3.83Å; K618-F747 HydrophobicContact CG-CB 4.37Å; K618-F747 HydrophobicContact CG-CD1 4.31Å; K618-F747 HydrophobicContact CG-CD2 4.06Å; K618-F747 HydrophobicContact CG-CE2 4.46Å; K618-F747 HydrophobicContact CG-CG 3.97Å; F621-F747 HydrophobicContact CB-CZ 4Å; F621-F747 AromaticContact CD2-CE1 3.98Å; F621-F747 HydrophobicContact CD2-CE1 3.98Å; F621-F747 AromaticContact CD2-CZ 3.59Å; F621-F747 HydrophobicContact CD2-CZ 3.59Å; F621-F747 HydrophobicContact CE2-CE1 4.46Å; F621-F747 HydrophobicContact CE2-CZ 4.29Å; F621-F747 AromaticContact CG-CZ 3.93Å; F621-F747 HydrophobicContact CG-CZ 3.93Å; I622-F747 HydrophobicContact CD1-CE2 4.46Å; H710-F747 PolarHBondContact NE2-N 2.85Å; L713-F747 HydrophobicContact CD2-CZ 4.09Å; I735-F747 HydrophobicContact CD1-CE2 4.26Å
748N81.3Confident79.6Confident90 Ų9064 Ų6448%0.48135%0.346SS..SBendtrans-108.1179.9168.6-78.9-38.2000111.1N744 I745 F746 L750N744-N748 PolarHBondContact O-ND2 3.48Å; I745-N748 WeakPolarHBondContact O-CB 3.25Å; I745-N748 PolarHBondContact O-N 3.26Å; F746-N748 PolarHBondContact O-N 2.92Å; N748-L750 PolarHBondContact O-N 3.46Å
749D84.6Confident78Confident56 Ų5671.6 Ų71.630%0.29938%0.381SS..  trans-57.7126.9178.4-164.6-32.6000111.2K610 N706 A751 V752K610-D749 IonicContact NZ-OD2 2.71Å; K610-D749 PolarHBondContact NZ-OD2 3.22Å; N706-D749 PolarHBondContact ND2-O 3.29Å; D749-A751 PolarHBondContact O-N 3.37Å; D749-A751 VanDerWaalsContact O-N 3.11Å; D749-A751 WeakPolarHBondContact OD1-CB 3.44Å; D749-A751 PolarHBondContact OD1-N 2.93Å; D749-V752 HydrophobicContact CB-CG2 4.16Å; D749-V752 WeakPolarHBondContact O-CB 3.31Å; D749-V752 VanDerWaalsContact O-CG2 3.26Å; D749-V752 WeakPolarHBondContact O-CG2 3.26Å; D749-V752 PolarHBondContact O-N 2.99Å
750L88.3Confident77Confident2 Ų273 Ų731%0.0139%0.39CS..THydrogen-bonded Turntrans-62.2-18.6-179.9-64.3177.2000112.5W609 I648 A702 N703 N706 L707 N748 V752W609-L750 HydrophobicContact CB-CD1 4.23Å; W609-L750 HydrophobicContact CG-CD1 3.9Å; I648-L750 HydrophobicContact CD1-CD1 4.3Å; A702-L750 HydrophobicContact CB-CB 3.63Å; N703-L750 PolarHBondContact N-O 3.06Å; N706-L750 PolarHBondContact ND2-O 2.95Å; L707-L750 HydrophobicContact CD2-CD1 4.24Å; N748-L750 PolarHBondContact O-N 3.46Å; L750-V752 VanDerWaalsContact C-N 3.29Å; L750-V752 PolarHBondContact O-N 3.07Å
751A86Confident76.5Confident33 Ų3369.6 Ų69.627%0.27337%0.373SS..THydrogen-bonded Turntrans-76.4-10.2174.600000114.3S700 D749 S753S700-A751 WeakPolarHBondContact OG-CB 3.47Å; D749-A751 PolarHBondContact O-N 3.37Å; D749-A751 VanDerWaalsContact O-N 3.11Å; D749-A751 WeakPolarHBondContact OD1-CB 3.44Å; D749-A751 PolarHBondContact OD1-N 2.93Å; A751-S753 PolarHBondContact O-N 3.02Å
752V85.7Confident76.3Confident64 Ų6473.1 Ų73.139%0.38839%0.385SS..PPolyproline II helixtrans-62129179.2174.30000110.4N703 N706 D749 L750N703-V752 WeakPolarHBondContact CB-O 3.47Å; N706-V752 PolarHBondContact ND2-O 2.68Å; D749-V752 HydrophobicContact CB-CG2 4.16Å; D749-V752 WeakPolarHBondContact O-CB 3.31Å; D749-V752 VanDerWaalsContact O-CG2 3.26Å; D749-V752 WeakPolarHBondContact O-CG2 3.26Å; D749-V752 PolarHBondContact O-N 2.99Å; L750-V752 VanDerWaalsContact C-N 3.29Å; L750-V752 PolarHBondContact O-N 3.07Å
753S79.1Confident76.3Confident96 Ų9678.6 Ų78.667%0.67142%0.418SS*.PPolyproline II helixtrans-71.5133.5177.456.30000111.6A751A751-S753 PolarHBondContact O-N 3.02Å
754V79Confident76.3Confident19 Ų1975.7 Ų75.712%0.11541%0.408CS..PPolyproline II helixtrans-100.4135175.2-1690000109.4K705 N706 L709 T742 I745K705-V754 HydrophobicContact CB-CB 4.3Å; K705-V754 HydrophobicContact CB-CG2 4.36Å; N706-V754 HydrophobicContact CB-CG2 3.75Å; L709-V754 HydrophobicContact CD1-CG1 4.08Å; L709-V754 HydrophobicContact CD1-CG2 4.3Å; T742-V754 HydrophobicContact CG2-CG1 4.35Å; I745-V754 HydrophobicContact CD1-CB 4.21Å; I745-V754 HydrophobicContact CD1-CG1 3.76Å; I745-V754 HydrophobicContact CD1-CG2 3.84Å; I745-V754 HydrophobicContact CG2-CG2 4.44Å
755S71.4Confident76.6Confident75 Ų7573.3 Ų73.352%0.52439%0.39SS..PPolyproline II helixtrans-64150176.456.50000111.9D757S755-D757 PolarHBondContact O-N 3.29Å
756E58.5Low76.8Confident151 Ų15177.8 Ų77.871%0.70641%0.41SS*.  trans-88.13.4-171.1-56.2-149.2114.400115.3K705 E758K705-E756 IonicContact NZ-OE1 3.7Å; K705-E756 PolarHBondContact NZ-OE1 3.29Å; E756-E758 PolarHBondContact O-N 2.94Å
757D63.8Low77Confident111 Ų11180 Ų8059%0.59443%0.425SS*.  trans-67.7119.2-173.1-63.5-41.1000111S755 P760S755-D757 PolarHBondContact O-N 3.29Å; D757-P760 HydrophobicContact CB-CG 4.28Å; D757-P760 WeakPolarHBondContact O-CD 3.39Å; D757-P760 WeakPolarHBondContact O-CG 3.39Å
758E57.5Low77.4Confident167 Ų16779.1 Ų79.178%0.7842%0.421SS*.SBendtrans-76.4-30175.7-68.8-169.5159.300112.8E756 P760 F761E756-E758 PolarHBondContact O-N 2.94Å; E758-P760 VanDerWaalsContact C-CD 3.4Å; E758-P760 VanDerWaalsContact C-N 3.32Å; E758-P760 VanDerWaalsContact O-N 3.15Å; E758-F761 PolarHBondContact O-N 3.04Å
759Q56.6Low77.8Confident160 Ų16075.8 Ų75.875%0.74840%0.403SS*.Hα-helixtrans-42.3-45.8178.5-69.1-73.7-2400114.7F761 M762Q759-F761 PolarHBondContact O-N 3.23Å; Q759-F761 VanDerWaalsContact O-N 3.17Å; Q759-M762 PolarHBondContact O-N 2.67Å
760P62.3Low78.1Confident33 Ų3380.3 Ų80.321%0.21442%0.42CS..Hα-helixtrans-59.2-23.5179.118.7-33.8000115.6P739 D757 E758P739-P760 HydrophobicContact CB-CB 3.68Å; P739-P760 HydrophobicContact CG-CB 4.14Å; D757-P760 HydrophobicContact CB-CG 4.28Å; D757-P760 WeakPolarHBondContact O-CD 3.39Å; D757-P760 WeakPolarHBondContact O-CG 3.39Å; E758-P760 VanDerWaalsContact C-CD 3.4Å; E758-P760 VanDerWaalsContact C-N 3.32Å; E758-P760 VanDerWaalsContact O-N 3.15Å
761F71.6Confident78.2Confident74 Ų7482 Ų8233%0.32543%0.428SS..Hα-helixtrans-78-22.9-176.3-69.7-82.4000114P739 E758 Q759 V763 V764 Y765P739-F761 HydrophobicContact CG-CD1 3.66Å; P739-F761 HydrophobicContact CG-CE1 3.72Å; P739-F761 HydrophobicContact CG-CG 4.1Å; P739-F761 HydrophobicContact CG-CZ 4.21Å; E758-F761 PolarHBondContact O-N 3.04Å; Q759-F761 PolarHBondContact O-N 3.23Å; Q759-F761 VanDerWaalsContact O-N 3.17Å; F761-V763 VanDerWaalsContact C-N 3.26Å; F761-V763 PolarHBondContact O-N 3.32Å; F761-V764 WeakPolarHBondContact O-CG2 3.42Å; F761-V764 PolarHBondContact O-N 3.39Å; F761-Y765 PolarHBondContact O-N 2.95Å
762M76Confident78.4Confident142 Ų14280.4 Ų80.470%0.742%0.415SS*.Hα-helixtrans-66-30.3177.4-70.3-60.5-65.400112.5Q759 V764 Y765Q759-M762 PolarHBondContact O-N 2.67Å; M762-V764 VanDerWaalsContact C-N 3.32Å; M762-V764 PolarHBondContact O-N 3.04Å; M762-Y765 WeakPolarHBondContact O-CB 3.36Å; M762-Y765 PolarHBondContact O-N 3.26Å
763V82.1Confident78.6Confident118 Ų11880.4 Ų80.472%0.71541%0.411SS*.Hα-helixtrans-67.3-34.2179.8-177.80000111.5F761F761-V763 VanDerWaalsContact C-N 3.26Å; F761-V763 PolarHBondContact O-N 3.32Å
764V85.3Confident79.1Confident7 Ų778.2 Ų78.24%0.04240%0.399CS..Hα-helixtrans-90.9-5.5-178.5-640000113.7P739 F761 M762 Q766 P767 R768P739-V764 HydrophobicContact CG-CG2 4.14Å; F761-V764 WeakPolarHBondContact O-CG2 3.42Å; F761-V764 PolarHBondContact O-N 3.39Å; M762-V764 VanDerWaalsContact C-N 3.32Å; M762-V764 PolarHBondContact O-N 3.04Å; V764-Q766 PolarHBondContact O-N 3.42Å; V764-P767 WeakPolarHBondContact O-CD 3.43Å; V764-R768 WeakPolarHBondContact O-CB 3.48Å; V764-R768 VanDerWaalsContact O-CG 3.25Å; V764-R768 WeakPolarHBondContact O-CG 3.47Å; V764-R768 PolarHBondContact O-N 3.22Å
765Y87.1Confident79.5Confident83 Ų8377.6 Ų77.633%0.32540%0.395SS..Hα-helixtrans-57.9-48.6-178.2-173.9-99.1000113F761 M762 R768 I769 I803F761-Y765 PolarHBondContact O-N 2.95Å; M762-Y765 WeakPolarHBondContact O-CB 3.36Å; M762-Y765 PolarHBondContact O-N 3.26Å; Y765-R768 PolarHBondContact O-N 3.12Å; Y765-I769 HydrophobicContact CD1-CD1 3.85Å; Y765-I769 HydrophobicContact CE1-CD1 3.29Å; Y765-I769 HydrophobicContact CE1-CG1 4.39Å; Y765-I769 HydrophobicContact CE2-CD1 4.4Å; Y765-I769 WeakPolarHBondContact O-CG1 3.44Å; Y765-I769 PolarHBondContact O-N 3.11Å; Y765-I769 VanDerWaalsContact O-N 3.08Å; Y765-I803 HydrophobicContact CD2-CG1 4.47Å; Y765-I803 HydrophobicContact CE2-CG1 3.98Å
766Q88.7Confident80.4Confident113 Ų11374 Ų7453%0.52837%0.37SS..Hα-helixtrans-66.9-46.4178.3-71.6-66.4-35.400113V764 R768 I769 K770V764-Q766 PolarHBondContact O-N 3.42Å; Q766-R768 VanDerWaalsContact C-N 3.33Å; Q766-R768 PolarHBondContact O-N 3.07Å; Q766-I769 PolarHBondContact O-N 3.33Å; Q766-K770 WeakPolarHBondContact O-CG 3.49Å; Q766-K770 PolarHBondContact O-N 3.22Å
767P89.6Confident81.8Confident54 Ų5467.7 Ų67.735%0.35134%0.344SS..Hα-helixtrans-53.4-44.1169.8-29.233.9000114.2L737 V764 K770 H771L737-P767 HydrophobicContact CD2-CB 4.13Å; V764-P767 WeakPolarHBondContact O-CD 3.43Å; P767-K770 PolarHBondContact O-N 3.28Å; P767-H771 WeakPolarHBondContact O-CB 3.11Å; P767-H771 PolarHBondContact O-N 3.01Å
768R91.6Very high82.8Confident13 Ų1364 Ų645%0.04932%0.324CS..Hα-helixtrans-62.7-45.4178.8-75.7173.6175.9-166.5-8.7112.4L737 V764 Y765 Q766 K770 H771 L772 W801 I803L737-R768 HydrophobicContact CB-CG 4.43Å; L737-R768 PolarHBondContact O-NE 3.23Å; L737-R768 PolarHBondContact O-NH2 2.89Å; V764-R768 WeakPolarHBondContact O-CB 3.48Å; V764-R768 VanDerWaalsContact O-CG 3.25Å; V764-R768 WeakPolarHBondContact O-CG 3.47Å; V764-R768 PolarHBondContact O-N 3.22Å; Y765-R768 PolarHBondContact O-N 3.12Å; Q766-R768 VanDerWaalsContact C-N 3.33Å; Q766-R768 PolarHBondContact O-N 3.07Å; R768-K770 VanDerWaalsContact C-N 3.34Å; R768-K770 PolarHBondContact O-N 2.69Å; R768-H771 PolarHBondContact O-N 2.68Å; R768-L772 WeakPolarHBondContact O-CB 3.49Å; R768-L772 WeakPolarHBondContact O-CG 3.18Å; R768-L772 PolarHBondContact O-N 3.49Å; R768-W801 HydrophobicContact CB-CD2 4.46Å; R768-W801 HydrophobicContact CB-CE3 3.79Å; R768-W801 HydrophobicContact CB-CH2 4.4Å; R768-W801 HydrophobicContact CB-CZ3 3.78Å; R768-W801 HydrophobicContact CG-CD2 4.07Å; R768-W801 HydrophobicContact CG-CE3 3.8Å; R768-W801 HydrophobicContact CG-CH2 3.88Å; R768-W801 HydrophobicContact CG-CZ2 4.11Å; R768-W801 HydrophobicContact CG-CZ3 3.73Å; R768-I803 HydrophobicContact CB-CD1 3.92Å
769I90.1Very high84.1Confident21 Ų2157.2 Ų57.211%0.10829%0.293CS..Hα-helixtrans-60.2-46.5175.3-70.1176.5000110.4Y765 Q766 H771 L772 M773 I803 I807Y765-I769 HydrophobicContact CD1-CD1 3.85Å; Y765-I769 HydrophobicContact CE1-CD1 3.29Å; Y765-I769 HydrophobicContact CE1-CG1 4.39Å; Y765-I769 HydrophobicContact CE2-CD1 4.4Å; Y765-I769 WeakPolarHBondContact O-CG1 3.44Å; Y765-I769 PolarHBondContact O-N 3.11Å; Y765-I769 VanDerWaalsContact O-N 3.08Å; Q766-I769 PolarHBondContact O-N 3.33Å; I769-H771 VanDerWaalsContact C-N 3.31Å; I769-H771 PolarHBondContact O-N 3.48Å; I769-L772 PolarHBondContact O-N 2.86Å; I769-M773 HydrophobicContact CG2-CG 4.09Å; I769-M773 HydrophobicContact CG2-SD 3.77Å; I769-M773 WeakPolarHBondContact O-CB 3.43Å; I769-M773 VanDerWaalsContact O-CG 3.23Å; I769-M773 WeakPolarHBondContact O-CG 3.11Å; I769-M773 PolarHBondContact O-N 3.47Å; I769-I803 HydrophobicContact CG1-CD1 4.15Å; I769-I803 HydrophobicContact CG1-CG2 4.3Å; I769-I807 HydrophobicContact CD1-CD1 4.39Å
770K89.6Confident85.5Confident151 Ų15149.7 Ų49.766%0.65726%0.258SS*.Hα-helixtrans-59.6-42.4178.3-73179.8179.9-177.80112.2Q766 P767 R768 M773 A774Q766-K770 WeakPolarHBondContact O-CG 3.49Å; Q766-K770 PolarHBondContact O-N 3.22Å; P767-K770 PolarHBondContact O-N 3.28Å; R768-K770 VanDerWaalsContact C-N 3.34Å; R768-K770 PolarHBondContact O-N 2.69Å; K770-M773 PolarHBondContact O-N 3.44Å; K770-A774 WeakPolarHBondContact O-CB 3.46Å; K770-A774 PolarHBondContact O-N 2.89Å
771H90Very high86.5Confident36 Ų3654.1 Ų54.117%0.16728%0.275CS..Hα-helixtrans-63.3-50.1176.2177.274000111.8L734 L737 P767 R768 I769 M773 A774 V775L734-H771 VanDerWaalsContact CD2-CE1 3.49Å; L734-H771 WeakPolarHBondContact CD2-CE1 3.29Å; L737-H771 HydrophobicContact CD1-CB 3.93Å; L737-H771 VanDerWaalsContact CD1-CG 3.46Å; L737-H771 HydrophobicContact CD2-CB 3.89Å; P767-H771 WeakPolarHBondContact O-CB 3.11Å; P767-H771 PolarHBondContact O-N 3.01Å; R768-H771 PolarHBondContact O-N 2.68Å; I769-H771 VanDerWaalsContact C-N 3.31Å; I769-H771 PolarHBondContact O-N 3.48Å; H771-M773 VanDerWaalsContact C-N 3.3Å; H771-M773 PolarHBondContact O-N 3.02Å; H771-A774 WeakPolarHBondContact O-CB 3.46Å; H771-A774 PolarHBondContact O-N 3.36Å; H771-A774 VanDerWaalsContact O-N 3.13Å; H771-V775 WeakPolarHBondContact O-CG2 3.34Å; H771-V775 PolarHBondContact O-N 2.86Å
772L90.7Very high86.9Confident1 Ų157.5 Ų57.51%0.00529%0.286CS..Hα-helixtrans-58.4-42.3176.7-72.3171.4000112R768 I769 A774 V775 N776 L794 L797 W801 I803 L808R768-L772 WeakPolarHBondContact O-CB 3.49Å; R768-L772 WeakPolarHBondContact O-CG 3.18Å; R768-L772 PolarHBondContact O-N 3.49Å; I769-L772 PolarHBondContact O-N 2.86Å; L772-A774 VanDerWaalsContact C-N 3.33Å; L772-A774 PolarHBondContact O-N 3.47Å; L772-V775 PolarHBondContact O-N 3.15Å; L772-N776 WeakPolarHBondContact O-CB 3.44Å; L772-N776 PolarHBondContact O-N 3.24Å; L772-L794 HydrophobicContact CD2-CD2 3.73Å; L772-L797 HydrophobicContact CD2-CB 4.49Å; L772-L797 HydrophobicContact CD2-CD2 3.69Å; L772-L797 HydrophobicContact CD2-CG 4.1Å; L772-W801 HydrophobicContact CD1-CE3 4Å; L772-W801 HydrophobicContact CD1-CZ3 4.23Å; L772-W801 HydrophobicContact CD2-CE3 4.39Å; L772-W801 HydrophobicContact CD2-CZ3 4.11Å; L772-W801 HydrophobicContact CG-CE3 4.2Å; L772-W801 HydrophobicContact CG-CZ3 3.94Å; L772-I803 HydrophobicContact CD1-CB 4.47Å; L772-I803 HydrophobicContact CD1-CD1 3.68Å; L772-I803 HydrophobicContact CD1-CG2 4.21Å; L772-L808 HydrophobicContact CB-CD1 4.03Å; L772-L808 HydrophobicContact CB-CD2 3.88Å; L772-L808 HydrophobicContact CD2-CD1 4.47Å
773M89.9Confident87.1Confident64 Ų6451.7 Ų51.732%0.31526%0.259SS..Hα-helixtrans-65.3-36.1177.5-73.4-174.681.600112.3I769 K770 H771 A777 L808 Q811I769-M773 HydrophobicContact CG2-CG 4.09Å; I769-M773 HydrophobicContact CG2-SD 3.77Å; I769-M773 WeakPolarHBondContact O-CB 3.43Å; I769-M773 VanDerWaalsContact O-CG 3.23Å; I769-M773 WeakPolarHBondContact O-CG 3.11Å; I769-M773 PolarHBondContact O-N 3.47Å; K770-M773 PolarHBondContact O-N 3.44Å; H771-M773 VanDerWaalsContact C-N 3.3Å; H771-M773 PolarHBondContact O-N 3.02Å; M773-A777 WeakPolarHBondContact O-CB 3.34Å; M773-A777 PolarHBondContact O-N 2.98Å; M773-L808 HydrophobicContact CG-CD2 3.89Å; M773-Q811 VanDerWaalsContact CA-OE1 3.26Å; M773-Q811 HydrophobicContact CE-CB 4.25Å; M773-Q811 HydrophobicContact CE-CG 3.8Å; M773-Q811 PolarHBondContact O-NE2 2.92Å; M773-Q811 PolarHBondContact O-OE1 3.31Å
774A89Confident86.9Confident49 Ų4950 Ų5041%0.40525%0.251SS..Hα-helixtrans-65.9-52.8174.700000110.9K770 H771 L772 N776 A777 D778K770-A774 WeakPolarHBondContact O-CB 3.46Å; K770-A774 PolarHBondContact O-N 2.89Å; H771-A774 WeakPolarHBondContact O-CB 3.46Å; H771-A774 PolarHBondContact O-N 3.36Å; H771-A774 VanDerWaalsContact O-N 3.13Å; L772-A774 VanDerWaalsContact C-N 3.33Å; L772-A774 PolarHBondContact O-N 3.47Å; A774-N776 VanDerWaalsContact C-N 3.31Å; A774-N776 PolarHBondContact O-N 2.93Å; A774-A777 WeakPolarHBondContact O-CB 3.24Å; A774-A777 PolarHBondContact O-N 2.72Å; A774-D778 VanDerWaalsContact O-CG 3.31Å; A774-D778 PolarHBondContact O-N 3.32Å; A774-D778 VanDerWaalsContact O-OD2 3.07Å
775V87.7Confident86.4Confident7 Ų754 Ų544%0.04228%0.278CS..Hα-helixtrans-58.2-43.5178.5175.20000111.4S719 H771 L772 A777 D778 L779 L794S719-V775 WeakPolarHBondContact O-CG1 3.36Å; H771-V775 WeakPolarHBondContact O-CG2 3.34Å; H771-V775 PolarHBondContact O-N 2.86Å; L772-V775 PolarHBondContact O-N 3.15Å; V775-A777 VanDerWaalsContact C-N 3.35Å; V775-A777 PolarHBondContact O-N 2.85Å; V775-D778 PolarHBondContact O-N 2.95Å; V775-L779 WeakPolarHBondContact O-CB 3.37Å; V775-L779 PolarHBondContact O-N 2.72Å; V775-L794 HydrophobicContact CB-CD2 4.28Å; V775-L794 HydrophobicContact CG1-CD1 4.39Å; V775-L794 HydrophobicContact CG1-CD2 3.83Å; V775-L794 HydrophobicContact CG1-CG 4.4Å
776N90Very high85.7Confident0 Ų052.7 Ų52.70%029%0.29CS..Hα-helixtrans-64.4-37.7177.2-174.749.6000112.2L772 A774 L779 V780 L794 L808 Q811L772-N776 WeakPolarHBondContact O-CB 3.44Å; L772-N776 PolarHBondContact O-N 3.24Å; A774-N776 VanDerWaalsContact C-N 3.31Å; A774-N776 PolarHBondContact O-N 2.93Å; N776-L779 PolarHBondContact O-N 2.87Å; N776-V780 WeakPolarHBondContact O-CB 3.2Å; N776-V780 WeakPolarHBondContact O-CG2 3.43Å; N776-V780 PolarHBondContact O-N 2.97Å; N776-L794 HydrophobicContact CB-CD1 4.04Å; N776-L808 HydrophobicContact CB-CD2 4.21Å; N776-L808 PolarHBondContact ND2-O 3.36Å; N776-Q811 PolarHBondContact ND2-OE1 3.42Å; N776-Q811 VanDerWaalsContact ND2-OE1 3.1Å
777A88.2Confident85.2Confident18 Ų1852.2 Ų52.215%0.14929%0.291CS..Hα-helixtrans-64.2-46175.800000111.7M773 A774 V775 L779 V780 E781 L815M773-A777 WeakPolarHBondContact O-CB 3.34Å; M773-A777 PolarHBondContact O-N 2.98Å; A774-A777 WeakPolarHBondContact O-CB 3.24Å; A774-A777 PolarHBondContact O-N 2.72Å; V775-A777 VanDerWaalsContact C-N 3.35Å; V775-A777 PolarHBondContact O-N 2.85Å; A777-L779 VanDerWaalsContact C-N 3.32Å; A777-L779 PolarHBondContact O-N 3.38Å; A777-V780 PolarHBondContact O-N 3.42Å; A777-E781 WeakPolarHBondContact O-CG 3.32Å; A777-E781 PolarHBondContact O-N 3.35Å; A777-L815 HydrophobicContact CB-CD1 3.55Å
778D86.1Confident84.6Confident32 Ų3253.8 Ų53.817%0.17130%0.299CS..Hα-helixtrans-60.9-42.1177.7-58.5-44.9000111.6S723 N725 A774 V775 E781 R782S723-D778 WeakPolarHBondContact CB-OD2 3.26Å; N725-D778 PolarHBondContact ND2-OD1 3.28Å; N725-D778 PolarHBondContact ND2-OD2 3.28Å; A774-D778 VanDerWaalsContact O-CG 3.31Å; A774-D778 PolarHBondContact O-N 3.32Å; A774-D778 VanDerWaalsContact O-OD2 3.07Å; V775-D778 PolarHBondContact O-N 2.95Å; D778-E781 PolarHBondContact O-N 3.49Å; D778-R782 WeakPolarHBondContact O-CG 3.41Å; D778-R782 PolarHBondContact O-N 3.37Å
779L84.9Confident83.9Confident26 Ų2653.5 Ų53.514%0.13630%0.299CS..Hα-helixtrans-62.2-46.2177.2-177.575.2000111.3V775 N776 A777 E781 R782 T783 P789 D790 V791 L794V775-L779 WeakPolarHBondContact O-CB 3.37Å; V775-L779 PolarHBondContact O-N 2.72Å; N776-L779 PolarHBondContact O-N 2.87Å; A777-L779 VanDerWaalsContact C-N 3.32Å; A777-L779 PolarHBondContact O-N 3.38Å; L779-E781 VanDerWaalsContact C-N 3.32Å; L779-E781 PolarHBondContact O-N 2.97Å; L779-R782 PolarHBondContact O-N 3.47Å; L779-T783 PolarHBondContact O-N 3.33Å; L779-T783 PolarHBondContact O-OG1 3.43Å; L779-P789 HydrophobicContact CD2-CB 3.79Å; L779-P789 HydrophobicContact CG-CB 4.02Å; L779-D790 WeakPolarHBondContact CD2-O 3.29Å; L779-V791 HydrophobicContact CD2-CG1 3.78Å; L779-L794 HydrophobicContact CD2-CD1 4.05Å
780V85.4Confident83.5Confident1 Ų157.7 Ų57.71%0.00632%0.322CS..Hα-helixtrans-62.7-39.3177.7171.40000111.3N776 A777 T783 P789 A812 L815 M816N776-V780 WeakPolarHBondContact O-CB 3.2Å; N776-V780 WeakPolarHBondContact O-CG2 3.43Å; N776-V780 PolarHBondContact O-N 2.97Å; A777-V780 PolarHBondContact O-N 3.42Å; V780-T783 PolarHBondContact O-N 3.22Å; V780-P789 HydrophobicContact CG2-CB 4.47Å; V780-P789 HydrophobicContact CG2-CG 3.88Å; V780-A812 HydrophobicContact CG2-CB 3.69Å; V780-L815 HydrophobicContact CG1-CB 3.87Å; V780-M816 HydrophobicContact CG1-CG 3.72Å
781E83Confident83.2Confident126 Ų12652 Ų5259%0.58930%0.3SS*.Hα-helixtrans-67.7-34.7177.3-75.2-176.7-174.800113.1A777 D778 L779A777-E781 WeakPolarHBondContact O-CG 3.32Å; A777-E781 PolarHBondContact O-N 3.35Å; D778-E781 PolarHBondContact O-N 3.49Å; L779-E781 VanDerWaalsContact C-N 3.32Å; L779-E781 PolarHBondContact O-N 2.97Å
782R80.2Confident83Confident145 Ų14557.5 Ų57.555%0.54733%0.325SS..Hα-helixtrans-76.9-23.4176.1-73176-179.3-159.6-7.7113.8D722 S723 D778 L779 P784D722-R782 PolarHBondContact O-NH1 2.92Å; S723-R782 PolarHBondContact O-NE 3.22Å; S723-R782 PolarHBondContact O-NH1 2.7Å; S723-R782 PolarHBondContact O-NH2 2.92Å; D778-R782 WeakPolarHBondContact O-CG 3.41Å; D778-R782 PolarHBondContact O-N 3.37Å; L779-R782 PolarHBondContact O-N 3.47Å; R782-P784 WeakPolarHBondContact O-CD 3.44Å
783T80.3Confident82.8Confident20 Ų2059.8 Ų59.812%0.12334%0.337CS..SBendtrans-68.7124.1-176.5-54.40000110L779 V780 L787 P789L779-T783 PolarHBondContact O-N 3.33Å; L779-T783 PolarHBondContact O-OG1 3.43Å; V780-T783 PolarHBondContact O-N 3.22Å; T783-L787 HydrophobicContact CG2-CB 3.92Å; T783-L787 WeakPolarHBondContact CG2-O 3.06Å; T783-P789 HydrophobicContact CG2-CG 4.32Å
784P77.9Confident82.7Confident84 Ų8457 Ų5755%0.54532%0.324SS..PPolyproline II helixtrans-58.8146.8178.1-20.230.1000111.9R782 G786 L787R782-P784 WeakPolarHBondContact O-CD 3.44Å; P784-G786 PolarHBondContact O-N 2.94Å; P784-L787 HydrophobicContact CB-CD1 4.16Å; P784-L787 HydrophobicContact CG-CD1 4.05Å; P784-L787 PolarHBondContact O-N 2.82Å; P784-L787 VanDerWaalsContact O-N 3.15Å
785S75.1Confident82.6Confident89 Ų8956.9 Ų56.962%0.62232%0.318SS*.THydrogen-bonded Turntrans-52.9125.7175.3-65.20000111.8N821S785-N821 VanDerWaalsContact CA-OD1 3.29Å; S785-N821 WeakPolarHBondContact CA-OD1 3.27Å; S785-N821 WeakPolarHBondContact CB-OD1 3.41Å; S785-N821 PolarHBondContact OG-OD1 3.47Å
786G70.8Confident82.7Confident56 Ų5659.6 Ų59.658%0.57733%0.33SS*.THydrogen-bonded Turntrans98.7-7.5179.800000115.3P784 T824P784-G786 PolarHBondContact O-N 2.94Å; G786-T824 WeakPolarHBondContact O-CG2 3.14Å
787L78.6Confident82.8Confident104 Ų10459.6 Ų59.655%0.54533%0.33SS..SBendtrans-105.7152.9175.7-72.1164.9000112.2T783 P784T783-L787 HydrophobicContact CG2-CB 3.92Å; T783-L787 WeakPolarHBondContact CG2-O 3.06Å; P784-L787 HydrophobicContact CB-CD1 4.16Å; P784-L787 HydrophobicContact CG-CD1 4.05Å; P784-L787 PolarHBondContact O-N 2.82Å; P784-L787 VanDerWaalsContact O-N 3.15Å
788V77.4Confident83Confident86 Ų8658.8 Ų58.852%0.52132%0.323SS..  trans-83.8134.4172.2-178.40000108.4M828V788-M828 HydrophobicContact CG1-SD 4.07Å
789P77.9Confident83.2Confident7 Ų763.7 Ų63.75%0.04535%0.349CS..  trans-58.9141176.4-22.432000112.1L779 V780 T783 V791L779-P789 HydrophobicContact CD2-CB 3.79Å; L779-P789 HydrophobicContact CG-CB 4.02Å; V780-P789 HydrophobicContact CG2-CB 4.47Å; V780-P789 HydrophobicContact CG2-CG 3.88Å; T783-P789 HydrophobicContact CG2-CG 4.32Å; P789-V791 HydrophobicContact CB-CG1 4.14Å; P789-V791 PolarHBondContact O-N 3.33Å
790D80.3Confident83.3Confident110 Ų11063.6 Ų63.659%0.58835%0.352SS*.  trans-77.7105.2175.4-177.77000110.9L779 E792L779-D790 WeakPolarHBondContact CD2-O 3.29Å; D790-E792 PolarHBondContact OD1-N 3.28Å
791V83.2Confident83.5Confident32 Ų3264.2 Ų64.219%0.19435%0.354CS..  trans-114.914.1-167.1-69.20000112.9L779 P789 L794 T795 Y805L779-V791 HydrophobicContact CD2-CG1 3.78Å; P789-V791 HydrophobicContact CB-CG1 4.14Å; P789-V791 PolarHBondContact O-N 3.33Å; V791-L794 PolarHBondContact O-N 2.93Å; V791-T795 WeakPolarHBondContact O-CB 3.33Å; V791-T795 PolarHBondContact O-N 2.84Å; V791-T795 PolarHBondContact O-OG1 3.5Å; V791-Y805 HydrophobicContact CB-CE2 4.24Å; V791-Y805 WeakPolarHBondContact CB-OH 3.4Å; V791-Y805 VanDerWaalsContact CG1-OH 3.24Å; V791-Y805 WeakPolarHBondContact CG1-OH 3.34Å; V791-Y805 VanDerWaalsContact CG2-OH 3.26Å; V791-Y805 WeakPolarHBondContact CG2-OH 3.43Å
792E86Confident83.8Confident151 Ų15165.3 Ų65.371%0.70636%0.364SS*.Hα-helixtrans-58.6-52.7-175.8-69.4-173.617400111.9D790 L794 T795 E796D790-E792 PolarHBondContact OD1-N 3.28Å; E792-L794 PolarHBondContact O-N 3.35Å; E792-T795 PolarHBondContact O-N 2.83Å; E792-E796 PolarHBondContact O-N 3.01Å
793L86.5Confident84.3Confident49 Ų4959 Ų5926%0.25734%0.341SS..Hα-helixtrans-64.5-37.7179.3-64.1178000112.8L715 L718 D722 T795 E796 L797L715-L793 HydrophobicContact CD1-CB 4.4Å; L715-L793 HydrophobicContact CD1-CD2 3.8Å; L718-L793 HydrophobicContact CB-CD1 4.33Å; D722-L793 VanDerWaalsContact OD2-CD1 3.22Å; D722-L793 WeakPolarHBondContact OD2-CD1 3.46Å; L793-T795 VanDerWaalsContact C-N 3.34Å; L793-E796 PolarHBondContact O-N 2.98Å; L793-L797 WeakPolarHBondContact O-CB 3.27Å; L793-L797 PolarHBondContact O-N 3.23Å
794L87.7Confident84.7Confident6 Ų661.6 Ų61.63%0.03135%0.354CS..Hα-helixtrans-66.5-38.9176.6-78.7174000111.4L772 V775 N776 L779 V791 E792 L797 C798L772-L794 HydrophobicContact CD2-CD2 3.73Å; V775-L794 HydrophobicContact CB-CD2 4.28Å; V775-L794 HydrophobicContact CG1-CD1 4.39Å; V775-L794 HydrophobicContact CG1-CD2 3.83Å; V775-L794 HydrophobicContact CG1-CG 4.4Å; N776-L794 HydrophobicContact CB-CD1 4.04Å; L779-L794 HydrophobicContact CD2-CD1 4.05Å; V791-L794 PolarHBondContact O-N 2.93Å; E792-L794 PolarHBondContact O-N 3.35Å; L794-L797 PolarHBondContact O-N 3.15Å; L794-C798 WeakPolarHBondContact O-CB 3.33Å; L794-C798 PolarHBondContact O-N 3.05Å; L794-C798 PolarHBondContact O-SG 3.5Å; L794-C798 VanDerWaalsContact O-SG 3.36Å
795T88.4Confident85.3Confident45 Ų4558.9 Ų58.928%0.27633%0.333SS..Hα-helixtrans-65.8-43.7176.7-540000110.3V791 E792 L793 L797 C798 L799V791-T795 WeakPolarHBondContact O-CB 3.33Å; V791-T795 PolarHBondContact O-N 2.84Å; V791-T795 PolarHBondContact O-OG1 3.5Å; E792-T795 PolarHBondContact O-N 2.83Å; L793-T795 VanDerWaalsContact C-N 3.34Å; T795-L797 VanDerWaalsContact C-N 3.34Å; T795-L797 PolarHBondContact O-N 3.43Å; T795-C798 PolarHBondContact O-N 3.19Å; T795-L799 HydrophobicContact CG2-CD1 4.48Å; T795-L799 VanDerWaalsContact O-CG 3.32Å; T795-L799 WeakPolarHBondContact O-CG 3.35Å; T795-L799 PolarHBondContact O-N 2.83Å
796E89.8Confident86.1Confident65 Ų6554.7 Ų54.730%0.30430%0.304SS..Hα-helixtrans-61.9-41.6175.4-165.4-175.2163.200111.8H645 R711 L715 E792 L793 L799 A800H645-E796 IonicContact NE2-OE1 3.13Å; R711-E796 IonicContact CZ-OE1 3.95Å; R711-E796 IonicContact NH1-OE1 3.39Å; R711-E796 PolarHBondContact NH1-OE1 3.13Å; L715-E796 HydrophobicContact CD2-CB 4.06Å; L715-E796 HydrophobicContact CD2-CG 3.82Å; E792-E796 PolarHBondContact O-N 3.01Å; L793-E796 PolarHBondContact O-N 2.98Å; E796-L799 PolarHBondContact O-N 3.49Å; E796-A800 WeakPolarHBondContact O-CB 3.16Å; E796-A800 PolarHBondContact O-N 3.3Å
797L90.4Very high87Confident0 Ų053.5 Ų53.50%028%0.284CS..Hα-helixtrans-69.1-39.1178.3-173.159.6000112.2L715 T716 L772 L793 L794 T795 L799 A800 W801L715-L797 HydrophobicContact CD2-CB 4.02Å; L715-L797 HydrophobicContact CD2-CD1 4.11Å; L715-L797 HydrophobicContact CG-CB 4.26Å; L715-L797 HydrophobicContact CG-CD1 4.22Å; T716-L797 HydrophobicContact CG2-CD1 3.58Å; T716-L797 HydrophobicContact CG2-CD2 3.87Å; T716-L797 HydrophobicContact CG2-CG 4.37Å; L772-L797 HydrophobicContact CD2-CB 4.49Å; L772-L797 HydrophobicContact CD2-CD2 3.69Å; L772-L797 HydrophobicContact CD2-CG 4.1Å; L793-L797 WeakPolarHBondContact O-CB 3.27Å; L793-L797 PolarHBondContact O-N 3.23Å; L794-L797 PolarHBondContact O-N 3.15Å; T795-L797 VanDerWaalsContact C-N 3.34Å; T795-L797 PolarHBondContact O-N 3.43Å; L797-L799 VanDerWaalsContact C-N 3.34Å; L797-A800 PolarHBondContact O-N 3.48Å; L797-W801 HydrophobicContact CD1-CD2 3.89Å; L797-W801 HydrophobicContact CD1-CE3 4.17Å; L797-W801 HydrophobicContact CD1-CG 4.47Å; L797-W801 HydrophobicContact CD1-CH2 4.2Å; L797-W801 HydrophobicContact CD1-CZ2 3.93Å; L797-W801 HydrophobicContact CD1-CZ3 4.3Å; L797-W801 HydrophobicContact CD2-CE3 4.33Å; L797-W801 HydrophobicContact CD2-CH2 4.04Å; L797-W801 HydrophobicContact CD2-CZ3 3.89Å; L797-W801 HydrophobicContact CG-CD2 4.1Å; L797-W801 HydrophobicContact CG-CE3 3.9Å; L797-W801 HydrophobicContact CG-CH2 4.28Å; L797-W801 HydrophobicContact CG-CZ2 4.49Å; L797-W801 HydrophobicContact CG-CZ3 3.97Å; L797-W801 WeakPolarHBondContact O-CB 3.39Å; L797-W801 PolarHBondContact O-N 2.92Å
798C92.2Very high87.6Confident1 Ų148.7 Ų48.71%0.00726%0.259CS..Hα-helixtrans-58.9-44.9171.4-82.20000111.6L794 T795 W801 N802 I803 Y805 L808L794-C798 WeakPolarHBondContact O-CB 3.33Å; L794-C798 PolarHBondContact O-N 3.05Å; L794-C798 PolarHBondContact O-SG 3.5Å; L794-C798 VanDerWaalsContact O-SG 3.36Å; T795-C798 PolarHBondContact O-N 3.19Å; C798-W801 CarbonylContact O-C 3.5Å; C798-W801 PolarHBondContact O-N 3.3Å; C798-N802 PolarHBondContact O-N 3.39Å; C798-I803 WeakPolarHBondContact CB-O 3.23Å; C798-I803 PolarHBondContact O-N 3.43Å; C798-Y805 HydrophobicContact CB-CD2 4.45Å; C798-L808 VanDerWaalsContact SG-CD1 3.59Å
799L91.5Very high88.2Confident135 Ų13546.4 Ų46.471%0.70724%0.241SC*.Hα-helixtrans-62.3-45.4175.8-71.9170.1000111.4T795 E796 L797 W801 N802T795-L799 HydrophobicContact CG2-CD1 4.48Å; T795-L799 VanDerWaalsContact O-CG 3.32Å; T795-L799 WeakPolarHBondContact O-CG 3.35Å; T795-L799 PolarHBondContact O-N 2.83Å; E796-L799 PolarHBondContact O-N 3.49Å; L797-L799 VanDerWaalsContact C-N 3.34Å; L799-W801 VanDerWaalsContact C-N 3.28Å; L799-W801 PolarHBondContact O-N 3.48Å; L799-N802 PolarHBondContact O-N 3.39Å
800A87.4Confident88.9Confident24 Ų2447.3 Ų47.320%0.19824%0.243CC..Hα-helixtrans-64.4-31.8179.600000113Q712 E796 L797Q712-A800 HydrophobicContact CG-CB 3.89Å; Q712-A800 PolarHBondContact NE2-O 3.05Å; E796-A800 WeakPolarHBondContact O-CB 3.16Å; E796-A800 PolarHBondContact O-N 3.3Å; L797-A800 PolarHBondContact O-N 3.48Å
801W89.6Confident89.3Confident13 Ų1343.6 Ų43.65%0.04922%0.222CC..THydrogen-bonded Turntrans-94.42.8177.6-71.9-10.7000114.8T716 L737 F738 R768 L772 L797 C798 L799 I803T716-W801 HydrophobicContact CG2-CH2 3.43Å; T716-W801 VanDerWaalsContact CG2-CH2 3.43Å; T716-W801 HydrophobicContact CG2-CZ2 3.17Å; L737-W801 HydrophobicContact CB-CH2 4.38Å; L737-W801 HydrophobicContact CB-CZ2 4.47Å; L737-W801 HydrophobicContact CD1-CH2 4.04Å; F738-W801 HydrophobicContact CZ-CZ2 4.3Å; R768-W801 HydrophobicContact CB-CD2 4.46Å; R768-W801 HydrophobicContact CB-CE3 3.79Å; R768-W801 HydrophobicContact CB-CH2 4.4Å; R768-W801 HydrophobicContact CB-CZ3 3.78Å; R768-W801 HydrophobicContact CG-CD2 4.07Å; R768-W801 HydrophobicContact CG-CE3 3.8Å; R768-W801 HydrophobicContact CG-CH2 3.88Å; R768-W801 HydrophobicContact CG-CZ2 4.11Å; R768-W801 HydrophobicContact CG-CZ3 3.73Å; L772-W801 HydrophobicContact CD1-CE3 4Å; L772-W801 HydrophobicContact CD1-CZ3 4.23Å; L772-W801 HydrophobicContact CD2-CE3 4.39Å; L772-W801 HydrophobicContact CD2-CZ3 4.11Å; L772-W801 HydrophobicContact CG-CE3 4.2Å; L772-W801 HydrophobicContact CG-CZ3 3.94Å; L797-W801 HydrophobicContact CD1-CD2 3.89Å; L797-W801 HydrophobicContact CD1-CE3 4.17Å; L797-W801 HydrophobicContact CD1-CG 4.47Å; L797-W801 HydrophobicContact CD1-CH2 4.2Å; L797-W801 HydrophobicContact CD1-CZ2 3.93Å; L797-W801 HydrophobicContact CD1-CZ3 4.3Å; L797-W801 HydrophobicContact CD2-CE3 4.33Å; L797-W801 HydrophobicContact CD2-CH2 4.04Å; L797-W801 HydrophobicContact CD2-CZ3 3.89Å; L797-W801 HydrophobicContact CG-CD2 4.1Å; L797-W801 HydrophobicContact CG-CE3 3.9Å; L797-W801 HydrophobicContact CG-CH2 4.28Å; L797-W801 HydrophobicContact CG-CZ2 4.49Å; L797-W801 HydrophobicContact CG-CZ3 3.97Å; L797-W801 WeakPolarHBondContact O-CB 3.39Å; L797-W801 PolarHBondContact O-N 2.92Å; C798-W801 CarbonylContact O-C 3.5Å; C798-W801 PolarHBondContact O-N 3.3Å; L799-W801 VanDerWaalsContact C-N 3.28Å; L799-W801 PolarHBondContact O-N 3.48Å; W801-I803 HydrophobicContact CB-CD1 3.91Å; W801-I803 HydrophobicContact CB-CG1 4.06Å; W801-I803 HydrophobicContact CE3-CD1 4.1Å; W801-I803 PolarHBondContact O-N 3.47Å
802N88.2Confident89.6Confident149 Ų14942.1 Ų42.180%0.79721%0.214SC*.THydrogen-bonded Turntrans52.442.1-175.3-166.232.2000112.6C798 L799C798-N802 PolarHBondContact O-N 3.39Å; L799-N802 PolarHBondContact O-N 3.39Å
803I90.2Very high89.8Confident12 Ų1235 Ų356%0.06218%0.18CC..  trans-104.7131.6176.4-65.3173000108.1Y765 R768 I769 L772 C798 W801 Y805 I807Y765-I803 HydrophobicContact CD2-CG1 4.47Å; Y765-I803 HydrophobicContact CE2-CG1 3.98Å; R768-I803 HydrophobicContact CB-CD1 3.92Å; I769-I803 HydrophobicContact CG1-CD1 4.15Å; I769-I803 HydrophobicContact CG1-CG2 4.3Å; L772-I803 HydrophobicContact CD1-CB 4.47Å; L772-I803 HydrophobicContact CD1-CD1 3.68Å; L772-I803 HydrophobicContact CD1-CG2 4.21Å; C798-I803 WeakPolarHBondContact CB-O 3.23Å; C798-I803 PolarHBondContact O-N 3.43Å; W801-I803 HydrophobicContact CB-CD1 3.91Å; W801-I803 HydrophobicContact CB-CG1 4.06Å; W801-I803 HydrophobicContact CE3-CD1 4.1Å; W801-I803 PolarHBondContact O-N 3.47Å; I803-Y805 PolarHBondContact O-N 3.33Å; I803-Y805 VanDerWaalsContact O-N 3.15Å; I803-I807 HydrophobicContact CG2-CD1 4.35Å
804D90.2Very high89.9Confident75 Ų7533.3 Ų33.340%0.40117%0.172SC..  trans-65.1114.2175.5-177.55.1000110.8D806 I807D804-D806 PolarHBondContact O-N 3.17Å; D804-D806 VanDerWaalsContact OD1-CB 3.3Å; D804-D806 WeakPolarHBondContact OD1-CB 3.34Å; D804-D806 PolarHBondContact OD1-N 3.37Å; D804-I807 WeakPolarHBondContact O-CB 3.4Å; D804-I807 WeakPolarHBondContact O-CG1 3.49Å; D804-I807 PolarHBondContact O-N 3.46Å
805Y89.9Confident89.8Confident27 Ų2734.2 Ų34.211%0.10618%0.177CC..THydrogen-bonded Turntrans-62.4-21.1178.7179.1-93.6000112.6V791 C798 I803 I807 L808 R809V791-Y805 HydrophobicContact CB-CE2 4.24Å; V791-Y805 WeakPolarHBondContact CB-OH 3.4Å; V791-Y805 VanDerWaalsContact CG1-OH 3.24Å; V791-Y805 WeakPolarHBondContact CG1-OH 3.34Å; V791-Y805 VanDerWaalsContact CG2-OH 3.26Å; V791-Y805 WeakPolarHBondContact CG2-OH 3.43Å; C798-Y805 HydrophobicContact CB-CD2 4.45Å; I803-Y805 PolarHBondContact O-N 3.33Å; I803-Y805 VanDerWaalsContact O-N 3.15Å; Y805-I807 PolarHBondContact O-N 2.83Å; Y805-I807 VanDerWaalsContact O-N 3.12Å; Y805-L808 HydrophobicContact CD2-CB 4.38Å; Y805-L808 HydrophobicContact CD2-CD1 4.18Å; Y805-L808 HydrophobicContact CE2-CB 4.21Å; Y805-L808 HydrophobicContact CE2-CD1 4.25Å; Y805-L808 PolarHBondContact O-N 3.34Å; Y805-R809 HydrophobicContact CD1-CB 4.47Å; Y805-R809 VanDerWaalsContact CD1-NH2 3.26Å; Y805-R809 HydrophobicContact CE1-CB 4.11Å; Y805-R809 PolarHBondContact O-N 3.43Å
806D91.7Very high89.7Confident1 Ų132.2 Ų32.21%0.00516%0.164CC..Hα-helixtrans-59.7-25.2176.9-154.254.8000112.5D804 R809 R810 Q833 D834D804-D806 PolarHBondContact O-N 3.17Å; D804-D806 VanDerWaalsContact OD1-CB 3.3Å; D804-D806 WeakPolarHBondContact OD1-CB 3.34Å; D804-D806 PolarHBondContact OD1-N 3.37Å; D806-R809 PolarHBondContact O-N 3.31Å; D806-R809 IonicContact OD1-CZ 3.86Å; D806-R809 IonicContact OD1-NH1 3.59Å; D806-R809 PolarHBondContact OD1-NH1 2.86Å; D806-R810 WeakPolarHBondContact O-CG 3.49Å; D806-R810 PolarHBondContact O-N 3.1Å; D806-Q833 PolarHBondContact OD1-N 2.83Å; D806-Q833 PolarHBondContact OD2-N 3.43Å; D806-D834 PolarHBondContact OD2-N 2.99Å
807I90.1Very high89.4Confident31 Ų3129.2 Ų29.216%0.15915%0.15CC..Hα-helixtrans-59.2-47.3171.8-59.3171.7000111.1I769 I803 D804 Y805 Q811I769-I807 HydrophobicContact CD1-CD1 4.39Å; I803-I807 HydrophobicContact CG2-CD1 4.35Å; D804-I807 WeakPolarHBondContact O-CB 3.4Å; D804-I807 WeakPolarHBondContact O-CG1 3.49Å; D804-I807 PolarHBondContact O-N 3.46Å; Y805-I807 PolarHBondContact O-N 2.83Å; Y805-I807 VanDerWaalsContact O-N 3.12Å; I807-Q811 PolarHBondContact O-N 2.84Å
808L90.7Very high89Confident4 Ų433.3 Ų33.32%0.02117%0.166CC..Hα-helixtrans-73.4-35.5-179.6-59.6-175.9000111.6L772 M773 N776 C798 Y805 Q811 A812L772-L808 HydrophobicContact CB-CD1 4.03Å; L772-L808 HydrophobicContact CB-CD2 3.88Å; L772-L808 HydrophobicContact CD2-CD1 4.47Å; M773-L808 HydrophobicContact CG-CD2 3.89Å; N776-L808 HydrophobicContact CB-CD2 4.21Å; N776-L808 PolarHBondContact ND2-O 3.36Å; C798-L808 VanDerWaalsContact SG-CD1 3.59Å; Y805-L808 HydrophobicContact CD2-CB 4.38Å; Y805-L808 HydrophobicContact CD2-CD1 4.18Å; Y805-L808 HydrophobicContact CE2-CB 4.21Å; Y805-L808 HydrophobicContact CE2-CD1 4.25Å; Y805-L808 PolarHBondContact O-N 3.34Å; L808-Q811 PolarHBondContact O-N 3.08Å; L808-A812 WeakPolarHBondContact O-CB 3.19Å; L808-A812 PolarHBondContact O-N 3.37Å
809R90.2Very high88.3Confident37 Ų3735.4 Ų35.414%0.1418%0.177CC..Hα-helixtrans-60.5-48175.4-169.8-177.1-68.1113.3-2.9111.6Y805 D806 A812 I813 M828 M831 V832Y805-R809 HydrophobicContact CD1-CB 4.47Å; Y805-R809 VanDerWaalsContact CD1-NH2 3.26Å; Y805-R809 HydrophobicContact CE1-CB 4.11Å; Y805-R809 PolarHBondContact O-N 3.43Å; D806-R809 PolarHBondContact O-N 3.31Å; D806-R809 IonicContact OD1-CZ 3.86Å; D806-R809 IonicContact OD1-NH1 3.59Å; D806-R809 PolarHBondContact OD1-NH1 2.86Å; R809-A812 PolarHBondContact O-N 3.36Å; R809-I813 HydrophobicContact CG-CD1 4.42Å; R809-I813 WeakPolarHBondContact O-CG1 3.16Å; R809-I813 PolarHBondContact O-N 3.36Å; R809-I813 VanDerWaalsContact O-N 3.09Å; R809-M828 HydrophobicContact CG-CE 4.2Å; R809-M831 WeakPolarHBondContact CD-O 2.99Å; R809-V832 HydrophobicContact CG-CG2 4.35Å
810R91.9Very high87.7Confident26 Ų2630 Ų3010%0.09815%0.154CC..Hα-helixtrans-61.7-45.5176.6-68.9-172.2-68.1127.2-1111.7D806 A812 I813 V814 V832 M838 D841D806-R810 WeakPolarHBondContact O-CG 3.49Å; D806-R810 PolarHBondContact O-N 3.1Å; R810-A812 VanDerWaalsContact C-N 3.34Å; R810-A812 PolarHBondContact O-N 3.17Å; R810-I813 PolarHBondContact O-N 2.93Å; R810-V814 WeakPolarHBondContact O-CG2 3.25Å; R810-V814 PolarHBondContact O-N 3.32Å; R810-V814 VanDerWaalsContact O-N 3.08Å; R810-V832 HydrophobicContact CG-CG1 3.86Å; R810-M838 HydrophobicContact CB-SD 3.76Å; R810-M838 HydrophobicContact CG-CB 4.26Å; R810-M838 HydrophobicContact CG-SD 3.58Å; R810-M838 VanDerWaalsContact CG-SD 3.58Å; R810-D841 IonicContact CZ-OD2 2.87Å; R810-D841 IonicContact NE-OD2 2.65Å; R810-D841 VanDerWaalsContact NH1-CG 3.29Å; R810-D841 IonicContact NH1-OD1 2.72Å; R810-D841 PolarHBondContact NH1-OD1 3.03Å; R810-D841 IonicContact NH1-OD2 3.31Å; R810-D841 PolarHBondContact NH1-OD2 2.73Å
811Q90.6Very high87.5Confident32 Ų3229.6 Ų29.615%0.1515%0.149CC..Hα-helixtrans-57.8-45.8175.5-174.2-160.66.400111.9M773 N776 I807 L808 I813 V814 L815M773-Q811 VanDerWaalsContact CA-OE1 3.26Å; M773-Q811 HydrophobicContact CE-CB 4.25Å; M773-Q811 HydrophobicContact CE-CG 3.8Å; M773-Q811 PolarHBondContact O-NE2 2.92Å; M773-Q811 PolarHBondContact O-OE1 3.31Å; N776-Q811 PolarHBondContact ND2-OE1 3.42Å; N776-Q811 VanDerWaalsContact ND2-OE1 3.1Å; I807-Q811 PolarHBondContact O-N 2.84Å; L808-Q811 PolarHBondContact O-N 3.08Å; Q811-I813 VanDerWaalsContact C-N 3.34Å; Q811-I813 PolarHBondContact O-N 3.4Å; Q811-V814 PolarHBondContact O-N 2.89Å; Q811-L815 HydrophobicContact CG-CD1 4.08Å; Q811-L815 HydrophobicContact CG-CG 4.46Å; Q811-L815 WeakPolarHBondContact O-CG 3.05Å; Q811-L815 PolarHBondContact O-N 3.33Å
812A88.9Confident87.2Confident2 Ų230.9 Ų30.92%0.01716%0.155CC..Hα-helixtrans-61-42179.400000111.7V780 L808 R809 R810 L815 M816V780-A812 HydrophobicContact CG2-CB 3.69Å; L808-A812 WeakPolarHBondContact O-CB 3.19Å; L808-A812 PolarHBondContact O-N 3.37Å; R809-A812 PolarHBondContact O-N 3.36Å; R810-A812 VanDerWaalsContact C-N 3.34Å; R810-A812 PolarHBondContact O-N 3.17Å; A812-L815 PolarHBondContact O-N 2.99Å; A812-M816 WeakPolarHBondContact O-CB 3.35Å; A812-M816 VanDerWaalsContact O-CG 3.27Å; A812-M816 WeakPolarHBondContact O-CG 3.24Å; A812-M816 PolarHBondContact O-N 2.97Å
813I89.2Confident86.9Confident0 Ų031.4 Ų31.40%015%0.152CC..Hα-helixtrans-60.9-46.8175.6-66.3165.5000111R809 R810 Q811 L815 M816 L817 A825 M828 L829 V832 M838R809-I813 HydrophobicContact CG-CD1 4.42Å; R809-I813 WeakPolarHBondContact O-CG1 3.16Å; R809-I813 PolarHBondContact O-N 3.36Å; R809-I813 VanDerWaalsContact O-N 3.09Å; R810-I813 PolarHBondContact O-N 2.93Å; Q811-I813 VanDerWaalsContact C-N 3.34Å; Q811-I813 PolarHBondContact O-N 3.4Å; I813-L815 PolarHBondContact O-N 3.47Å; I813-M816 HydrophobicContact CG1-CE 4.15Å; I813-M816 PolarHBondContact O-N 3.28Å; I813-L817 HydrophobicContact CG2-CD1 4.18Å; I813-L817 WeakPolarHBondContact O-CG 3.35Å; I813-L817 PolarHBondContact O-N 3.15Å; I813-A825 HydrophobicContact CG2-CB 4.26Å; I813-M828 HydrophobicContact CD1-CB 3.98Å; I813-M828 HydrophobicContact CG1-CB 3.84Å; I813-L829 HydrophobicContact CD1-CD2 4.25Å; I813-L829 HydrophobicContact CG2-CD2 3.96Å; I813-L829 HydrophobicContact CG2-CG 4.36Å; I813-V832 HydrophobicContact CD1-CG2 3.31Å; I813-M838 HydrophobicContact CB-CE 3.79Å; I813-M838 HydrophobicContact CB-SD 4.33Å; I813-M838 HydrophobicContact CD1-CE 4.49Å; I813-M838 HydrophobicContact CD1-SD 4.04Å; I813-M838 HydrophobicContact CG2-CE 3.44Å; I813-M838 VanDerWaalsContact CG2-CE 3.44Å; I813-M838 HydrophobicContact CG2-SD 4.34Å
814V88.4Confident86.7Confident15 Ų1531.1 Ų31.19%0.09115%0.151CC..Hα-helixtrans-61.1-44.1177.8173.90000111.4R810 Q811 L817 R818 M838 D841 M845R810-V814 WeakPolarHBondContact O-CG2 3.25Å; R810-V814 PolarHBondContact O-N 3.32Å; R810-V814 VanDerWaalsContact O-N 3.08Å; Q811-V814 PolarHBondContact O-N 2.89Å; V814-L817 PolarHBondContact O-N 2.99Å; V814-R818 VanDerWaalsContact O-CG 3.31Å; V814-R818 WeakPolarHBondContact O-CG 3.42Å; V814-R818 PolarHBondContact O-N 3.37Å; V814-M838 HydrophobicContact CG2-CE 3.96Å; V814-D841 HydrophobicContact CG2-CB 4.06Å; V814-M845 HydrophobicContact CG1-CB 4.2Å; V814-M845 HydrophobicContact CG1-CG 4.23Å
815L86.5Confident86.4Confident25 Ų2527.6 Ų27.613%0.13113%0.132CC..Hα-helixtrans-66.1-42.8177.9-71.3175.2000112A777 V780 Q811 A812 I813 L817 R818 N819A777-L815 HydrophobicContact CB-CD1 3.55Å; V780-L815 HydrophobicContact CG1-CB 3.87Å; Q811-L815 HydrophobicContact CG-CD1 4.08Å; Q811-L815 HydrophobicContact CG-CG 4.46Å; Q811-L815 WeakPolarHBondContact O-CG 3.05Å; Q811-L815 PolarHBondContact O-N 3.33Å; A812-L815 PolarHBondContact O-N 2.99Å; I813-L815 PolarHBondContact O-N 3.47Å; L815-L817 PolarHBondContact O-N 3.18Å; L815-R818 PolarHBondContact O-N 3.21Å; L815-N819 VanDerWaalsContact O-CB 3.29Å; L815-N819 WeakPolarHBondContact O-CB 3.44Å; L815-N819 PolarHBondContact O-N 3.5Å
816M85.5Confident86.3Confident2 Ų228.3 Ų28.31%0.0114%0.136CC..Hα-helixtrans-61.2-43175.8-75.5-170.4-6400112V780 A812 I813 R818 N819 G820 N821 A825 M828V780-M816 HydrophobicContact CG1-CG 3.72Å; A812-M816 WeakPolarHBondContact O-CB 3.35Å; A812-M816 VanDerWaalsContact O-CG 3.27Å; A812-M816 WeakPolarHBondContact O-CG 3.24Å; A812-M816 PolarHBondContact O-N 2.97Å; I813-M816 HydrophobicContact CG1-CE 4.15Å; I813-M816 PolarHBondContact O-N 3.28Å; M816-R818 PolarHBondContact O-N 3.35Å; M816-N819 CarbonylContact O-C 3.58Å; M816-N819 PolarHBondContact O-N 3.2Å; M816-G820 PolarHBondContact O-N 2.72Å; M816-N821 HydrophobicContact CB-CB 4.05Å; M816-N821 HydrophobicContact CG-CB 4.41Å; M816-N821 PolarHBondContact O-N 3.5Å; M816-A825 HydrophobicContact CB-CB 3.94Å; M816-A825 HydrophobicContact CE-CB 4.07Å; M816-M828 HydrophobicContact CE-CB 4.38Å; M816-M828 HydrophobicContact CE-CE 4.41Å; M816-M828 HydrophobicContact CE-CG 4.28Å; M816-M828 HydrophobicContact CE-SD 3.35Å; M816-M828 WeakPolarHBondContact CE-SD 3.35Å; M816-M828 HydrophobicContact SD-SD 4.2Å
817L85Confident86Confident2 Ų234 Ų341%0.0116%0.163CC..Hα-helixtrans-61.5-44175.6-71.5173.6000111.4I813 V814 L815 N819 G820 F822 A825 F826 L842 M845 F882 I890I813-L817 HydrophobicContact CG2-CD1 4.18Å; I813-L817 WeakPolarHBondContact O-CG 3.35Å; I813-L817 PolarHBondContact O-N 3.15Å; V814-L817 PolarHBondContact O-N 2.99Å; L815-L817 PolarHBondContact O-N 3.18Å; L817-N819 VanDerWaalsContact C-N 3.29Å; L817-N819 PolarHBondContact O-N 2.93Å; L817-G820 PolarHBondContact O-N 3.05Å; L817-G820 VanDerWaalsContact O-N 3.15Å; L817-F822 HydrophobicContact CD2-CD1 3.89Å; L817-F822 WeakPolarHBondContact O-CE1 3.31Å; L817-A825 HydrophobicContact CD2-CB 3.63Å; L817-A825 HydrophobicContact CG-CB 3.74Å; L817-F826 HydrophobicContact CD2-CZ 4.39Å; L817-L842 HydrophobicContact CD1-CD2 3.4Å; L817-L842 VanDerWaalsContact CD1-CD2 3.4Å; L817-M845 HydrophobicContact CB-CE 4.31Å; L817-M845 HydrophobicContact CD1-CE 3.79Å; L817-F882 WeakPolarHBondContact O-CZ 3.47Å; L817-I890 HydrophobicContact CD1-CD1 4.36Å
818R80.7Confident85.8Confident87 Ų8733.2 Ų33.233%0.32816%0.158SC..Hα-helixtrans-62.5-37.3174.6-72.1173.9179.2-170.40.3112.4V814 L815 M816 G820 M845V814-R818 VanDerWaalsContact O-CG 3.31Å; V814-R818 WeakPolarHBondContact O-CG 3.42Å; V814-R818 PolarHBondContact O-N 3.37Å; L815-R818 PolarHBondContact O-N 3.21Å; M816-R818 PolarHBondContact O-N 3.35Å; R818-G820 PolarHBondContact O-N 3.26Å; R818-M845 HydrophobicContact CG-CG 4.42Å
819N78.7Confident85.6Confident44 Ų4433.3 Ų33.324%0.23516%0.159CC..THydrogen-bonded Turntrans-80.22.5178.3-69.1-9.6000113L815 M816 L817 N821 K880L815-N819 VanDerWaalsContact O-CB 3.29Å; L815-N819 WeakPolarHBondContact O-CB 3.44Å; L815-N819 PolarHBondContact O-N 3.5Å; M816-N819 CarbonylContact O-C 3.58Å; M816-N819 PolarHBondContact O-N 3.2Å; L817-N819 VanDerWaalsContact C-N 3.29Å; L817-N819 PolarHBondContact O-N 2.93Å; N819-N821 VanDerWaalsContact C-N 3.33Å; N819-N821 PolarHBondContact O-N 3.28Å; N819-K880 VanDerWaalsContact C-CD 3.5Å; N819-K880 WeakPolarHBondContact O-CD 3.23Å; N819-K880 WeakPolarHBondContact O-CE 3.4Å; N819-K880 PolarHBondContact O-NZ 2.89Å
820G78.6Confident85.3Confident22 Ų2238.3 Ų38.323%0.22719%0.188CC..THydrogen-bonded Turntrans77.211.9177.900000115.4M816 L817 R818 F822M816-G820 PolarHBondContact O-N 2.72Å; L817-G820 PolarHBondContact O-N 3.05Å; L817-G820 VanDerWaalsContact O-N 3.15Å; R818-G820 PolarHBondContact O-N 3.26Å; G820-F822 VanDerWaalsContact C-N 3.31Å; G820-F822 VanDerWaalsContact CA-CZ 3.5Å; G820-F822 WeakPolarHBondContact O-CD2 3.48Å; G820-F822 WeakPolarHBondContact O-CE2 3.44Å; G820-F822 PolarHBondContact O-N 2.97Å; G820-F822 VanDerWaalsContact O-N 3.17Å
821N82.6Confident85.1Confident16 Ų1642.7 Ų42.79%0.08621%0.211CC..  trans-87.470.5174.9-75.9-12.7000109.9S785 M816 N819 T824 A825S785-N821 VanDerWaalsContact CA-OD1 3.29Å; S785-N821 WeakPolarHBondContact CA-OD1 3.27Å; S785-N821 WeakPolarHBondContact CB-OD1 3.41Å; S785-N821 PolarHBondContact OG-OD1 3.47Å; M816-N821 HydrophobicContact CB-CB 4.05Å; M816-N821 HydrophobicContact CG-CB 4.41Å; M816-N821 PolarHBondContact O-N 3.5Å; N819-N821 VanDerWaalsContact C-N 3.33Å; N819-N821 PolarHBondContact O-N 3.28Å; N821-T824 PolarHBondContact O-OG1 3.08Å; N821-A825 VanDerWaalsContact O-CB 3.24Å; N821-A825 WeakPolarHBondContact O-CB 3.41Å; N821-A825 PolarHBondContact O-N 3.42Å
822F83Confident85Confident40 Ų4041.6 Ų41.618%0.17521%0.207CC..Hα-helixtrans-74-46.2-169.5-52.3-67.4000113.4L817 G820 T824 A825 F826 F882 I886L817-F822 HydrophobicContact CD2-CD1 3.89Å; L817-F822 WeakPolarHBondContact O-CE1 3.31Å; G820-F822 VanDerWaalsContact C-N 3.31Å; G820-F822 VanDerWaalsContact CA-CZ 3.5Å; G820-F822 WeakPolarHBondContact O-CD2 3.48Å; G820-F822 WeakPolarHBondContact O-CE2 3.44Å; G820-F822 PolarHBondContact O-N 2.97Å; G820-F822 VanDerWaalsContact O-N 3.17Å; F822-T824 PolarHBondContact O-N 3.46Å; F822-A825 PolarHBondContact O-N 3.44Å; F822-F826 HydrophobicContact CB-CD2 4.27Å; F822-F826 HydrophobicContact CB-CE2 4.03Å; F822-F826 WeakPolarHBondContact O-CD2 3.36Å; F822-F826 PolarHBondContact O-N 3.38Å; F822-F882 AromaticContact CE1-CD1 3.79Å; F822-F882 HydrophobicContact CE1-CD1 3.79Å; F822-F882 AromaticContact CE1-CE1 3.7Å; F822-F882 HydrophobicContact CE1-CE1 3.7Å; F822-F882 HydrophobicContact CE1-CZ 4.42Å; F822-F882 HydrophobicContact CZ-CD1 4.34Å; F822-I886 HydrophobicContact CB-CD1 4.32Å; F822-I886 HydrophobicContact CD1-CD1 3.81Å; F822-I886 HydrophobicContact CD1-CG1 4.39Å; F822-I886 HydrophobicContact CD1-CG2 3.57Å; F822-I886 HydrophobicContact CD2-CD1 3.32Å; F822-I886 HydrophobicContact CD2-CG1 4.41Å; F822-I886 HydrophobicContact CE1-CD1 3.85Å; F822-I886 HydrophobicContact CE1-CG2 3.79Å; F822-I886 HydrophobicContact CE2-CD1 3.35Å; F822-I886 HydrophobicContact CG-CD1 3.54Å; F822-I886 HydrophobicContact CG-CG1 4.22Å; F822-I886 HydrophobicContact CG-CG2 4.2Å; F822-I886 HydrophobicContact CZ-CD1 3.6Å
823E82.7Confident85Confident160 Ų16048.5 Ų48.575%0.74824%0.239SC*.Hα-helixtrans-62-46.7-174.9-67.1-165.8160.700112.4F826 Q827E823-F826 PolarHBondContact O-N 3.39Å; E823-Q827 VanDerWaalsContact O-CG 3.31Å; E823-Q827 WeakPolarHBondContact O-CG 3.33Å; E823-Q827 PolarHBondContact O-N 3.41Å
824T84.6Confident85Confident6 Ų650.7 Ų50.74%0.03725%0.25CS..Hα-helixtrans-65.3-40.6176.448.10000111.9G786 N821 F822 F826 Q827 M828G786-T824 WeakPolarHBondContact O-CG2 3.14Å; N821-T824 PolarHBondContact O-OG1 3.08Å; F822-T824 PolarHBondContact O-N 3.46Å; T824-F826 PolarHBondContact O-N 2.94Å; T824-Q827 PolarHBondContact O-N 2.93Å; T824-M828 WeakPolarHBondContact O-CG 3.46Å; T824-M828 PolarHBondContact O-N 3.25Å
825A86Confident85Confident0 Ų054.3 Ų54.30%027%0.266CS..Hα-helixtrans-60.6-44.6176.200000112.3I813 M816 L817 N821 F822 M828 L829I813-A825 HydrophobicContact CG2-CB 4.26Å; M816-A825 HydrophobicContact CB-CB 3.94Å; M816-A825 HydrophobicContact CE-CB 4.07Å; L817-A825 HydrophobicContact CD2-CB 3.63Å; L817-A825 HydrophobicContact CG-CB 3.74Å; N821-A825 VanDerWaalsContact O-CB 3.24Å; N821-A825 WeakPolarHBondContact O-CB 3.41Å; N821-A825 PolarHBondContact O-N 3.42Å; F822-A825 PolarHBondContact O-N 3.44Å; A825-M828 PolarHBondContact O-N 3.28Å; A825-L829 PolarHBondContact O-N 3.19Å
826F87.2Confident85Confident42 Ų4259.8 Ų59.818%0.18429%0.289CS..Hα-helixtrans-67-36177.1-72.4-59.2000112.5L817 F822 E823 T824 M828 L829 I886 K889 I890L817-F826 HydrophobicContact CD2-CZ 4.39Å; F822-F826 HydrophobicContact CB-CD2 4.27Å; F822-F826 HydrophobicContact CB-CE2 4.03Å; F822-F826 WeakPolarHBondContact O-CD2 3.36Å; F822-F826 PolarHBondContact O-N 3.38Å; E823-F826 PolarHBondContact O-N 3.39Å; T824-F826 PolarHBondContact O-N 2.94Å; F826-M828 VanDerWaalsContact C-N 3.32Å; F826-L829 HydrophobicContact CD1-CD1 3.66Å; F826-L829 HydrophobicContact CE1-CD1 4.32Å; F826-L829 PolarHBondContact O-N 3.17Å; F826-I886 HydrophobicContact CE2-CG2 4.27Å; F826-I886 HydrophobicContact CZ-CG2 4.13Å; F826-K889 HydrophobicContact CE1-CB 3.84Å; F826-K889 HydrophobicContact CE2-CB 4.42Å; F826-K889 HydrophobicContact CE2-CD 4.03Å; F826-K889 HydrophobicContact CZ-CB 3.63Å; F826-K889 HydrophobicContact CZ-CD 4.07Å; F826-I890 HydrophobicContact CE1-CG1 4.14Å; F826-I890 HydrophobicContact CZ-CG1 4.03Å
827Q85.9Confident85Confident122 Ų12265.8 Ų65.857%0.5731%0.311SS*.Hα-helixtrans-62.6-40.8172.8-72.4172.38.400111.6E823 T824 L829E823-Q827 VanDerWaalsContact O-CG 3.31Å; E823-Q827 WeakPolarHBondContact O-CG 3.33Å; E823-Q827 PolarHBondContact O-N 3.41Å; T824-Q827 PolarHBondContact O-N 2.93Å; Q827-L829 VanDerWaalsContact C-N 3.32Å; Q827-L829 PolarHBondContact O-N 3.25Å
828M85.6Confident85.3Confident13 Ų1365.7 Ų65.76%0.06431%0.311CS..Hα-helixtrans-71.2-20.6179.8-73.9-171.466.600114.1V788 R809 I813 M816 T824 A825 F826 N830 M831V788-M828 HydrophobicContact CG1-SD 4.07Å; R809-M828 HydrophobicContact CG-CE 4.2Å; I813-M828 HydrophobicContact CD1-CB 3.98Å; I813-M828 HydrophobicContact CG1-CB 3.84Å; M816-M828 HydrophobicContact CE-CB 4.38Å; M816-M828 HydrophobicContact CE-CE 4.41Å; M816-M828 HydrophobicContact CE-CG 4.28Å; M816-M828 HydrophobicContact CE-SD 3.35Å; M816-M828 WeakPolarHBondContact CE-SD 3.35Å; M816-M828 HydrophobicContact SD-SD 4.2Å; T824-M828 WeakPolarHBondContact O-CG 3.46Å; T824-M828 PolarHBondContact O-N 3.25Å; A825-M828 PolarHBondContact O-N 3.28Å; F826-M828 VanDerWaalsContact C-N 3.32Å; M828-N830 PolarHBondContact O-N 3.47Å; M828-M831 WeakPolarHBondContact O-CB 3.46Å; M828-M831 PolarHBondContact O-N 3.29Å
829L85.9Confident85.6Confident7 Ų761.5 Ų61.54%0.03730%0.295CS..Hα-helixtrans-57.5-34.3175.8-76.2171.9000112.7I813 A825 F826 Q827 M831 V832 M838 L842 Y893I813-L829 HydrophobicContact CD1-CD2 4.25Å; I813-L829 HydrophobicContact CG2-CD2 3.96Å; I813-L829 HydrophobicContact CG2-CG 4.36Å; A825-L829 PolarHBondContact O-N 3.19Å; F826-L829 HydrophobicContact CD1-CD1 3.66Å; F826-L829 HydrophobicContact CE1-CD1 4.32Å; F826-L829 PolarHBondContact O-N 3.17Å; Q827-L829 VanDerWaalsContact C-N 3.32Å; Q827-L829 PolarHBondContact O-N 3.25Å; L829-M831 PolarHBondContact O-N 3.09Å; L829-V832 PolarHBondContact O-N 3.01Å; L829-M838 HydrophobicContact CD2-CE 4.1Å; L829-M838 HydrophobicContact CD2-CG 3.74Å; L829-M838 HydrophobicContact CD2-SD 4.18Å; L829-L842 HydrophobicContact CD2-CD1 4.25Å; L829-Y893 HydrophobicContact CB-CE2 4.28Å; L829-Y893 HydrophobicContact CD1-CD2 4.09Å; L829-Y893 HydrophobicContact CD1-CE2 4.19Å; L829-Y893 HydrophobicContact CD1-CG 4.34Å; L829-Y893 HydrophobicContact CD2-CE1 4.06Å; L829-Y893 HydrophobicContact CD2-CE2 4.28Å
830N84.7Confident86Confident142 Ų14262.3 Ų62.376%0.75930%0.299SS*.THydrogen-bonded Turntrans-68.3-17.5178.9-64.8-21.5000112.8M828M828-N830 PolarHBondContact O-N 3.47Å
831M86.4Confident86.4Confident118 Ų11863.4 Ų63.458%0.58130%0.3SS*.THydrogen-bonded Turntrans-93.8-5.4179.9-56.7178.672.400113R809 M828 L829R809-M831 WeakPolarHBondContact CD-O 2.99Å; M828-M831 WeakPolarHBondContact O-CB 3.46Å; M828-M831 PolarHBondContact O-N 3.29Å; L829-M831 PolarHBondContact O-N 3.09Å
832V88.4Confident86.7Confident8 Ų862.7 Ų62.75%0.04830%0.297CS..  trans-76.3129.2-179.7-178.70000110.1R809 R810 I813 L829 M838R809-V832 HydrophobicContact CG-CG2 4.35Å; R810-V832 HydrophobicContact CG-CG1 3.86Å; I813-V832 HydrophobicContact CD1-CG2 3.31Å; L829-V832 PolarHBondContact O-N 3.01Å; V832-M838 HydrophobicContact CG1-CB 3.98Å; V832-M838 HydrophobicContact CG1-CG 4.37Å; V832-M838 HydrophobicContact CG2-CG 4.43Å; V832-M838 HydrophobicContact CG2-SD 4.16Å
833Q89.1Confident86.9Confident147 Ų14761.4 Ų61.469%0.68729%0.291SS*.SBendtrans-79.8-48.8-179.3-63.1-173.83.400111.4D806 Q835D806-Q833 PolarHBondContact OD1-N 2.83Å; D806-Q833 PolarHBondContact OD2-N 3.43Å; Q833-Q835 PolarHBondContact O-N 3.07Å
834D89.4Confident87Confident47 Ų4757.8 Ų57.825%0.25128%0.276SS..  trans-9481.4178-166.3-21.4000111.3D806 K836 R837 M838D806-D834 PolarHBondContact OD2-N 2.99Å; D834-K836 PolarHBondContact O-N 3.22Å; D834-K836 PolarHBondContact OD1-N 3.2Å; D834-R837 HydrophobicContact CB-CB 4.29Å; D834-R837 PolarHBondContact O-N 3.03Å; D834-R837 PolarHBondContact OD1-N 3.42Å; D834-R837 WeakPolarHBondContact OD2-CD 3.4Å; D834-R837 WeakPolarHBondContact OD2-CG 3.33Å; D834-R837 IonicContact OD2-CZ 3.21Å; D834-R837 IonicContact OD2-NE 2.75Å; D834-R837 PolarHBondContact OD2-NE 3.39Å; D834-R837 IonicContact OD2-NH1 2.81Å; D834-M838 PolarHBondContact O-N 3.25Å; D834-M838 VanDerWaalsContact O-N 3.1Å
835Q88.3Confident86.9Confident90 Ų9057.5 Ų57.542%0.42128%0.275SS..Hα-helixtrans-59.7-34179.5-63.3-168.9-18.800112.5Q833 M838 A839 V897Q833-Q835 PolarHBondContact O-N 3.07Å; Q835-M838 WeakPolarHBondContact O-CB 3.47Å; Q835-M838 PolarHBondContact O-N 3.12Å; Q835-A839 PolarHBondContact O-N 3.24Å; Q835-V897 VanDerWaalsContact C-CG1 3.49Å; Q835-V897 HydrophobicContact CB-CG1 3.7Å; Q835-V897 HydrophobicContact CB-CG2 4.41Å; Q835-V897 WeakPolarHBondContact O-CG1 3.37Å
836K86.5Confident86.7Confident140 Ų14057.5 Ų57.561%0.60928%0.275SS*.Hα-helixtrans-63.7-48.4-179.7-70.4-179.3179.71770111.1D834 M838 A839 D840D834-K836 PolarHBondContact O-N 3.22Å; D834-K836 PolarHBondContact OD1-N 3.2Å; K836-M838 VanDerWaalsContact C-N 3.31Å; K836-M838 PolarHBondContact O-N 2.99Å; K836-A839 WeakPolarHBondContact O-CB 3.31Å; K836-A839 PolarHBondContact O-N 2.74Å; K836-D840 PolarHBondContact O-N 2.99Å; K836-D840 VanDerWaalsContact O-N 3.09Å
837R86.5Confident86.4Confident128 Ų12856.8 Ų56.848%0.48328%0.275SS..Hα-helixtrans-66.1-32.5176.1-72.5-174-177.9164.2-1.1112.8D834 A839 D840 D841D834-R837 HydrophobicContact CB-CB 4.29Å; D834-R837 PolarHBondContact O-N 3.03Å; D834-R837 PolarHBondContact OD1-N 3.42Å; D834-R837 WeakPolarHBondContact OD2-CD 3.4Å; D834-R837 WeakPolarHBondContact OD2-CG 3.33Å; D834-R837 IonicContact OD2-CZ 3.21Å; D834-R837 IonicContact OD2-NE 2.75Å; D834-R837 PolarHBondContact OD2-NE 3.39Å; D834-R837 IonicContact OD2-NH1 2.81Å; R837-A839 VanDerWaalsContact C-N 3.35Å; R837-D840 PolarHBondContact O-N 2.92Å; R837-D841 PolarHBondContact O-N 3.13Å
838M91.5Very high85.9Confident0 Ų054.3 Ų54.30%026%0.263CS..Hα-helixtrans-62.8-41.8172.1-172.470.5-134.200111.8R810 I813 V814 L829 V832 D834 Q835 K836 D840 D841 L842 Y893R810-M838 HydrophobicContact CB-SD 3.76Å; R810-M838 HydrophobicContact CG-CB 4.26Å; R810-M838 HydrophobicContact CG-SD 3.58Å; R810-M838 VanDerWaalsContact CG-SD 3.58Å; I813-M838 HydrophobicContact CB-CE 3.79Å; I813-M838 HydrophobicContact CB-SD 4.33Å; I813-M838 HydrophobicContact CD1-CE 4.49Å; I813-M838 HydrophobicContact CD1-SD 4.04Å; I813-M838 HydrophobicContact CG2-CE 3.44Å; I813-M838 VanDerWaalsContact CG2-CE 3.44Å; I813-M838 HydrophobicContact CG2-SD 4.34Å; V814-M838 HydrophobicContact CG2-CE 3.96Å; L829-M838 HydrophobicContact CD2-CE 4.1Å; L829-M838 HydrophobicContact CD2-CG 3.74Å; L829-M838 HydrophobicContact CD2-SD 4.18Å; V832-M838 HydrophobicContact CG1-CB 3.98Å; V832-M838 HydrophobicContact CG1-CG 4.37Å; V832-M838 HydrophobicContact CG2-CG 4.43Å; V832-M838 HydrophobicContact CG2-SD 4.16Å; D834-M838 PolarHBondContact O-N 3.25Å; D834-M838 VanDerWaalsContact O-N 3.1Å; Q835-M838 WeakPolarHBondContact O-CB 3.47Å; Q835-M838 PolarHBondContact O-N 3.12Å; K836-M838 VanDerWaalsContact C-N 3.31Å; K836-M838 PolarHBondContact O-N 2.99Å; M838-D840 VanDerWaalsContact C-N 3.34Å; M838-D841 PolarHBondContact O-N 2.92Å; M838-L842 HydrophobicContact CE-CD1 4Å; M838-L842 HydrophobicContact CE-CD2 3.58Å; M838-L842 HydrophobicContact CE-CG 3.53Å; M838-L842 HydrophobicContact CG-CD1 4.3Å; M838-L842 WeakPolarHBondContact O-CG 3.38Å; M838-L842 PolarHBondContact O-N 3.42Å; M838-Y893 HydrophobicContact CB-CE1 4.49Å; M838-Y893 HydrophobicContact CG-CE1 4.09Å
839A86.5Confident85.3Confident0 Ų054.4 Ų54.40%026%0.263CS..Hα-helixtrans-62.8-41.4175.900000111.6Q835 K836 R837 L842 F843 V894 V897 T898Q835-A839 PolarHBondContact O-N 3.24Å; K836-A839 WeakPolarHBondContact O-CB 3.31Å; K836-A839 PolarHBondContact O-N 2.74Å; R837-A839 VanDerWaalsContact C-N 3.35Å; A839-L842 PolarHBondContact O-N 2.87Å; A839-F843 VanDerWaalsContact O-CB 3.27Å; A839-F843 WeakPolarHBondContact O-CB 3.43Å; A839-F843 PolarHBondContact O-N 3.22Å; A839-V894 HydrophobicContact CB-CG1 4.4Å; A839-V894 HydrophobicContact CB-CG2 4.49Å; A839-V897 HydrophobicContact CB-CB 4.18Å; A839-V897 HydrophobicContact CB-CG1 4.03Å; A839-T898 HydrophobicContact CB-CG2 3.8Å
840D86.2Confident84.4Confident60 Ų6058.2 Ų58.232%0.32128%0.281SS..Hα-helixtrans-61.2-43.1173.5-68.9-30.7000111.9K836 R837 M838 F843 N844 W902K836-D840 PolarHBondContact O-N 2.99Å; K836-D840 VanDerWaalsContact O-N 3.09Å; R837-D840 PolarHBondContact O-N 2.92Å; M838-D840 VanDerWaalsContact C-N 3.34Å; D840-F843 PolarHBondContact O-N 3.19Å; D840-N844 WeakPolarHBondContact O-CB 3.3Å; D840-N844 PolarHBondContact O-N 3.3Å; D840-N844 PolarHBondContact O-ND2 2.78Å; D840-N844 VanDerWaalsContact O-ND2 3.12Å; D840-W902 VanDerWaalsContact OD1-CZ2 3.23Å; D840-W902 WeakPolarHBondContact OD1-CZ2 3.47Å; D840-W902 PolarHBondContact OD1-NE1 3.46Å
841D88Confident83.7Confident46 Ų4653.6 Ų53.625%0.24625%0.253CS..Hα-helixtrans-65.5-43177.5-70.5-21.2000112.7R810 V814 R837 M838 F843 N844 M845R810-D841 IonicContact CZ-OD2 2.87Å; R810-D841 IonicContact NE-OD2 2.65Å; R810-D841 VanDerWaalsContact NH1-CG 3.29Å; R810-D841 IonicContact NH1-OD1 2.72Å; R810-D841 PolarHBondContact NH1-OD1 3.03Å; R810-D841 IonicContact NH1-OD2 3.31Å; R810-D841 PolarHBondContact NH1-OD2 2.73Å; V814-D841 HydrophobicContact CG2-CB 4.06Å; R837-D841 PolarHBondContact O-N 3.13Å; M838-D841 PolarHBondContact O-N 2.92Å; D841-F843 VanDerWaalsContact C-N 3.33Å; D841-N844 PolarHBondContact O-N 2.98Å; D841-M845 WeakPolarHBondContact O-CB 3.32Å; D841-M845 PolarHBondContact O-N 2.81Å
842L88.4Confident82.6Confident1 Ų150.6 Ų50.61%0.00524%0.243CC..Hα-helixtrans-64.4-40.5175.9-71.7175000111.2L817 L829 M838 A839 M845 L846 I890 Y893 V894L817-L842 HydrophobicContact CD1-CD2 3.4Å; L817-L842 VanDerWaalsContact CD1-CD2 3.4Å; L829-L842 HydrophobicContact CD2-CD1 4.25Å; M838-L842 HydrophobicContact CE-CD1 4Å; M838-L842 HydrophobicContact CE-CD2 3.58Å; M838-L842 HydrophobicContact CE-CG 3.53Å; M838-L842 HydrophobicContact CG-CD1 4.3Å; M838-L842 WeakPolarHBondContact O-CG 3.38Å; M838-L842 PolarHBondContact O-N 3.42Å; A839-L842 PolarHBondContact O-N 2.87Å; L842-M845 HydrophobicContact CD2-CE 3.63Å; L842-M845 WeakPolarHBondContact O-CB 3.35Å; L842-M845 PolarHBondContact O-N 3.1Å; L842-L846 WeakPolarHBondContact O-CG 3.05Å; L842-L846 PolarHBondContact O-N 3.34Å; L842-I890 HydrophobicContact CB-CG2 4.11Å; L842-I890 HydrophobicContact CD1-CG2 4.37Å; L842-I890 HydrophobicContact CD2-CG2 4.32Å; L842-I890 HydrophobicContact CG-CG2 4.49Å; L842-Y893 HydrophobicContact CD1-CD1 3.49Å; L842-Y893 VanDerWaalsContact CD1-CD1 3.49Å; L842-Y893 HydrophobicContact CD1-CE1 3.77Å; L842-Y893 HydrophobicContact CD1-CG 4.48Å; L842-V894 HydrophobicContact CB-CG2 3.85Å; L842-V894 HydrophobicContact CD1-CG2 4.45Å
843F86.7Confident81.4Confident12 Ų1256 Ų565%0.05328%0.278CS..Hα-helixtrans-62.2-45.6173.9173.8-101.4000111.9A839 D840 D841 M845 L846 C847 V894 W902 Y907 L908 I911A839-F843 VanDerWaalsContact O-CB 3.27Å; A839-F843 WeakPolarHBondContact O-CB 3.43Å; A839-F843 PolarHBondContact O-N 3.22Å; D840-F843 PolarHBondContact O-N 3.19Å; D841-F843 VanDerWaalsContact C-N 3.33Å; F843-M845 PolarHBondContact O-N 3.38Å; F843-L846 PolarHBondContact O-N 3.26Å; F843-L846 VanDerWaalsContact O-N 3.17Å; F843-C847 WeakPolarHBondContact CE1-SG 3.39Å; F843-C847 WeakPolarHBondContact CZ-SG 3.44Å; F843-C847 PolarHBondContact O-N 3.13Å; F843-C847 PolarHBondContact O-SG 3.48Å; F843-V894 HydrophobicContact CB-CG1 4.42Å; F843-W902 HydrophobicContact CB-CH2 3.59Å; F843-W902 HydrophobicContact CB-CZ2 4.11Å; F843-W902 AromaticContact CD1-CH2 3.92Å; F843-W902 HydrophobicContact CD1-CH2 3.92Å; F843-W902 HydrophobicContact CD1-CZ2 4.19Å; F843-W902 AromaticContact CD2-CH2 3.56Å; F843-W902 HydrophobicContact CD2-CH2 3.56Å; F843-W902 HydrophobicContact CD2-CZ3 4.07Å; F843-W902 HydrophobicContact CE2-CH2 4.2Å; F843-W902 HydrophobicContact CE2-CZ3 4.42Å; F843-W902 AromaticContact CG-CH2 3.39Å; F843-W902 HydrophobicContact CG-CH2 3.39Å; F843-W902 HydrophobicContact CG-CZ2 4.04Å; F843-W902 HydrophobicContact CG-CZ3 4.33Å; F843-Y907 AromaticContact CE2-CD1 3.89Å; F843-Y907 HydrophobicContact CE2-CD1 3.89Å; F843-Y907 AromaticContact CZ-CD1 3.59Å; F843-Y907 HydrophobicContact CZ-CD1 3.59Å; F843-Y907 HydrophobicContact CZ-CG 4.19Å; F843-L908 HydrophobicContact CD2-CB 4.34Å; F843-L908 HydrophobicContact CD2-CD1 4.11Å; F843-L908 HydrophobicContact CE2-CB 4.03Å; F843-L908 HydrophobicContact CE2-CD1 4.48Å; F843-I911 HydrophobicContact CE2-CD1 4.29Å
844N84.5Confident80Confident84 Ų8449.5 Ų49.545%0.44925%0.249SC..Hα-helixtrans-60.5-36.4175.4-74-32.5000111.8D840 D841 Q848D840-N844 WeakPolarHBondContact O-CB 3.3Å; D840-N844 PolarHBondContact O-N 3.3Å; D840-N844 PolarHBondContact O-ND2 2.78Å; D840-N844 VanDerWaalsContact O-ND2 3.12Å; D841-N844 PolarHBondContact O-N 2.98Å; N844-Q848 WeakPolarHBondContact O-CG 3.15Å
845M83.5Confident78.3Confident1 Ų153.7 Ų53.71%0.00528%0.279CS..Hα-helixtrans-66.1-46.1173173.8-90.6-73.400111.8V814 L817 R818 D841 L842 F843 C847 Q848 F849 F882 I890V814-M845 HydrophobicContact CG1-CB 4.2Å; V814-M845 HydrophobicContact CG1-CG 4.23Å; L817-M845 HydrophobicContact CB-CE 4.31Å; L817-M845 HydrophobicContact CD1-CE 3.79Å; R818-M845 HydrophobicContact CG-CG 4.42Å; D841-M845 WeakPolarHBondContact O-CB 3.32Å; D841-M845 PolarHBondContact O-N 2.81Å; L842-M845 HydrophobicContact CD2-CE 3.63Å; L842-M845 WeakPolarHBondContact O-CB 3.35Å; L842-M845 PolarHBondContact O-N 3.1Å; F843-M845 PolarHBondContact O-N 3.38Å; M845-C847 VanDerWaalsContact C-N 3.3Å; M845-C847 PolarHBondContact O-N 2.93Å; M845-Q848 WeakPolarHBondContact O-CB 3.44Å; M845-Q848 PolarHBondContact O-N 3.37Å; M845-Q848 VanDerWaalsContact O-N 3.11Å; M845-F849 HydrophobicContact CG-CE2 3.93Å; M845-F849 WeakPolarHBondContact O-CD2 3.44Å; M845-F849 VanDerWaalsContact O-CE2 3.32Å; M845-F849 WeakPolarHBondContact O-CE2 3.36Å; M845-F849 HydrophobicContact SD-CD2 4.29Å; M845-F849 HydrophobicContact SD-CE2 3.57Å; M845-F849 VanDerWaalsContact SD-CE2 3.57Å; M845-F882 HydrophobicContact SD-CZ 4.37Å; M845-I890 HydrophobicContact CE-CD1 4.1Å; M845-I890 HydrophobicContact CE-CG2 4.32Å
846L81.6Confident76.7Confident0 Ų057.2 Ų57.20%030%0.295CS..Hα-helixtrans-58.4-41.8174.6-71.7171.8000111.7L842 F843 Q848 F849 Y851 L887 I890 I891 L908 I911L842-L846 WeakPolarHBondContact O-CG 3.05Å; L842-L846 PolarHBondContact O-N 3.34Å; F843-L846 PolarHBondContact O-N 3.26Å; F843-L846 VanDerWaalsContact O-N 3.17Å; L846-Q848 PolarHBondContact O-N 3.01Å; L846-F849 PolarHBondContact O-N 3.44Å; L846-F849 VanDerWaalsContact O-N 3.1Å; L846-Y851 PolarHBondContact O-OH 3.18Å; L846-Y851 VanDerWaalsContact O-OH 3.08Å; L846-L887 HydrophobicContact CD2-CD2 3.82Å; L846-I890 HydrophobicContact CD1-CG2 3.9Å; L846-I890 HydrophobicContact CD2-CG2 4.22Å; L846-I890 HydrophobicContact CG-CG2 4.12Å; L846-I891 HydrophobicContact CD1-CG1 3.84Å; L846-L908 HydrophobicContact CD1-CD1 4.5Å; L846-I911 HydrophobicContact CB-CD1 4.27Å
847C80Confident75.2Confident27 Ų2754 Ų5418%0.18230%0.301CS..THydrogen-bonded Turntrans-61.6-17.5178.4-67.70000114.1F843 M845 K864 Y907F843-C847 WeakPolarHBondContact CE1-SG 3.39Å; F843-C847 WeakPolarHBondContact CZ-SG 3.44Å; F843-C847 PolarHBondContact O-N 3.13Å; F843-C847 PolarHBondContact O-SG 3.48Å; M845-C847 VanDerWaalsContact C-N 3.3Å; M845-C847 PolarHBondContact O-N 2.93Å; C847-K864 WeakPolarHBondContact O-CE 3.44Å; C847-K864 PolarHBondContact O-NZ 3.32Å; C847-Y907 HydrophobicContact CB-CE1 4.27Å; C847-Y907 WeakPolarHBondContact SG-CE1 3.45Å
848Q76.1Confident73.7Confident69 Ų6951.2 Ų51.232%0.32230%0.296SS..THydrogen-bonded Turntrans-86.5-8.6179.4-69.4170.19.800113.4N844 M845 L846 K864N844-Q848 WeakPolarHBondContact O-CG 3.15Å; M845-Q848 WeakPolarHBondContact O-CB 3.44Å; M845-Q848 PolarHBondContact O-N 3.37Å; M845-Q848 VanDerWaalsContact O-N 3.11Å; L846-Q848 PolarHBondContact O-N 3.01Å; Q848-K864 WeakPolarHBondContact O-CB 3.34Å; Q848-K864 WeakPolarHBondContact O-CG 3.43Å; Q848-K864 PolarHBondContact O-N 2.78Å
849F73Confident72.2Confident16 Ų1652.3 Ų52.37%0.0730%0.303CS..EExtended strand (participates in β ladder)trans-94.7145.4177.4-64.8-77.8000112.3M845 L846 Y851 A861 C862 H863 K864 F882M845-F849 HydrophobicContact CG-CE2 3.93Å; M845-F849 WeakPolarHBondContact O-CD2 3.44Å; M845-F849 VanDerWaalsContact O-CE2 3.32Å; M845-F849 WeakPolarHBondContact O-CE2 3.36Å; M845-F849 HydrophobicContact SD-CD2 4.29Å; M845-F849 HydrophobicContact SD-CE2 3.57Å; M845-F849 VanDerWaalsContact SD-CE2 3.57Å; L846-F849 PolarHBondContact O-N 3.44Å; L846-F849 VanDerWaalsContact O-N 3.1Å; F849-Y851 HydrophobicContact CB-CE1 4.34Å; F849-A861 HydrophobicContact CB-CB 3.9Å; F849-A861 HydrophobicContact CD1-CB 4.02Å; F849-A861 HydrophobicContact CG-CB 3.98Å; F849-C862 CarbonylContact C-O 3.57Å; F849-C862 VanDerWaalsContact CA-O 3.32Å; F849-C862 WeakPolarHBondContact CA-O 3.32Å; F849-H863 HydrophobicContact CD1-CB 4.37Å; F849-H863 HydrophobicContact CE1-CB 4.22Å; F849-K864 WeakPolarHBondContact O-CE 3.47Å; F849-F882 HydrophobicContact CE1-CD2 4.24Å; F849-F882 AromaticContact CE1-CE2 3.75Å; F849-F882 HydrophobicContact CE1-CE2 3.75Å; F849-F882 AromaticContact CE2-CE2 3.89Å; F849-F882 HydrophobicContact CE2-CE2 3.89Å; F849-F882 HydrophobicContact CE2-CZ 4.21Å; F849-F882 HydrophobicContact CZ-CD2 4.2Å; F849-F882 AromaticContact CZ-CE2 3.35Å; F849-F882 HydrophobicContact CZ-CE2 3.35Å; F849-F882 AromaticContact CZ-CZ 3.96Å; F849-F882 HydrophobicContact CZ-CZ 3.96Å
850E66.9Low70.9Confident86 Ų8654.3 Ų54.340%0.40231%0.312SS..EExtended strand (participates in β ladder)trans-94.7128159.3-93.5170.8179.200108.3A861 C862 K864 S867E850-A861 CarbonylContact O-C 3.58Å; E850-A861 WeakPolarHBondContact O-CA 3.41Å; E850-C862 PolarHBondContact N-O 3.42Å; E850-C862 PolarHBondContact O-N 3.32Å; E850-K864 HydrophobicContact CB-CG 4.46Å; E850-K864 HydrophobicContact CG-CG 3.79Å; E850-S867 PolarHBondContact OE2-OG 2.89Å; E850-S867 VanDerWaalsContact OE2-OG 3.13Å
851Y69.4Low69.7Low45 Ų4551.7 Ų51.718%0.17630%0.299CS..EExtended strand (participates in β ladder)trans-96.1115.3-179.3-57.6-80.1000108.9L846 F849 V859 E860 A861 L887 I911 I915L846-Y851 PolarHBondContact O-OH 3.18Å; L846-Y851 VanDerWaalsContact O-OH 3.08Å; F849-Y851 HydrophobicContact CB-CE1 4.34Å; Y851-V859 HydrophobicContact CD1-CG1 4.15Å; Y851-V859 HydrophobicContact CG-CG1 4.47Å; Y851-E860 CarbonylContact C-O 3.58Å; Y851-E860 WeakPolarHBondContact CA-O 3.47Å; Y851-A861 HydrophobicContact CD1-CB 3.93Å; Y851-A861 HydrophobicContact CE1-CB 3.91Å; Y851-L887 HydrophobicContact CD1-CD1 4.25Å; Y851-L887 HydrophobicContact CE1-CD1 4.06Å; Y851-L887 HydrophobicContact CE1-CD2 4.05Å; Y851-I911 HydrophobicContact CE2-CG1 4.38Å; Y851-I911 HydrophobicContact CE2-CG2 3.88Å; Y851-I915 HydrophobicContact CD1-CD1 4.32Å; Y851-I915 HydrophobicContact CD1-CG1 4.07Å; Y851-I915 HydrophobicContact CE1-CD1 3.94Å; Y851-I915 HydrophobicContact CE1-CG1 4.21Å; Y851-I915 HydrophobicContact CG-CG1 4.48Å
852C65.2Low68.3Low55 Ų5551.8 Ų51.837%0.37230%0.303SS..EExtended strand (participates in β ladder)trans-115137.5178.1-64.40000110S854 E860C852-S854 PolarHBondContact O-N 2.98Å; C852-E860 PolarHBondContact N-O 2.98Å; C852-E860 PolarHBondContact O-N 2.96Å
853P61.8Low67Low122 Ų12254.8 Ų54.879%0.79232%0.316SS*.EExtended strand (participates in β ladder)trans-66.9124.817125.6-30.6000110
854S59.6Low65.7Low10 Ų1058.3 Ų58.37%0.0733%0.332CS..  trans-80.3154.4173.5960000111.2C852 E856 G857 N858 E860C852-S854 PolarHBondContact O-N 2.98Å; S854-E856 PolarHBondContact O-N 2.92Å; S854-E856 PolarHBondContact OG-N 2.59Å; S854-G857 PolarHBondContact O-N 3.39Å; S854-G857 VanDerWaalsContact O-N 3.1Å; S854-N858 WeakPolarHBondContact CA-O 3.32Å; S854-N858 WeakPolarHBondContact CB-O 3.46Å; S854-N858 PolarHBondContact N-O 3.25Å; S854-N858 PolarHBondContact OG-N 3.42Å; S854-N858 PolarHBondContact OG-O 3.21Å; S854-E860 VanDerWaalsContact CB-OE1 3.27Å; S854-E860 WeakPolarHBondContact CB-OE1 3.27Å
855P54.2Low63.9Low135 Ų13557.1 Ų57.188%0.87733%0.334SS*.THydrogen-bonded Turntrans-64.8-16.5175.924.9-32.7000113.8G857P855-G857 VanDerWaalsContact C-N 3.25Å; P855-G857 PolarHBondContact O-N 3.44Å
856E54.4Low62.1Low165 Ų16560.7 Ų60.777%0.77136%0.355SS*.THydrogen-bonded Turntrans-83.62.8175.5-65.5-179.3174.800113S854 N858S854-E856 PolarHBondContact O-N 2.92Å; S854-E856 PolarHBondContact OG-N 2.59Å; E856-N858 VanDerWaalsContact C-N 3.29Å
857G54.4Low60.2Low71 Ų7164.2 Ų64.273%0.73238%0.38SS*.SBendtrans80.57.1-17700000114.1S854 P855S854-G857 PolarHBondContact O-N 3.39Å; S854-G857 VanDerWaalsContact O-N 3.1Å; P855-G857 VanDerWaalsContact C-N 3.25Å; P855-G857 PolarHBondContact O-N 3.44Å
858N56.3Low58.2Low71 Ų7171.4 Ų71.438%0.3841%0.411SS..PPolyproline II helixtrans-95.2148.4173.7-75.3-35.6000110.4S854 E856S854-N858 WeakPolarHBondContact CA-O 3.32Å; S854-N858 WeakPolarHBondContact CB-O 3.46Å; S854-N858 PolarHBondContact N-O 3.25Å; S854-N858 PolarHBondContact OG-N 3.42Å; S854-N858 PolarHBondContact OG-O 3.21Å; E856-N858 VanDerWaalsContact C-N 3.29Å
859V59.4Low56.2Low23 Ų2373.9 Ų73.914%0.13943%0.431CS..EExtended strand (participates in β ladder)trans-79123.5169.9179.50000108.8Y851 L884 I915Y851-V859 HydrophobicContact CD1-CG1 4.15Å; Y851-V859 HydrophobicContact CG-CG1 4.47Å; V859-L884 HydrophobicContact CB-CD1 3.97Å; V859-L884 HydrophobicContact CG2-CD1 3.99Å; V859-I915 HydrophobicContact CG1-CG1 4.48Å
860E59.9Low54.2Low41 Ų4184 Ų8419%0.19247%0.468CS..EExtended strand (participates in β ladder)trans-98.1126.1174.9-84.3175.5-173.200110.2Y851 C852 S854 K881Y851-E860 CarbonylContact C-O 3.58Å; Y851-E860 WeakPolarHBondContact CA-O 3.47Å; C852-E860 PolarHBondContact N-O 2.98Å; C852-E860 PolarHBondContact O-N 2.96Å; S854-E860 VanDerWaalsContact CB-OE1 3.27Å; S854-E860 WeakPolarHBondContact CB-OE1 3.27Å; E860-K881 HydrophobicContact CG-CD 4.36Å; E860-K881 WeakPolarHBondContact OE1-CE 3.38Å; E860-K881 IonicContact OE1-NZ 3.38Å; E860-K881 PolarHBondContact OE1-NZ 3.28Å; E860-K881 IonicContact OE2-NZ 3.76Å
861A60.9Low52.6Low5 Ų588.2 Ų88.24%0.04149%0.493CS..EExtended strand (participates in β ladder)trans-95.5114.117300000110F849 E850 Y851 F882 L887F849-A861 HydrophobicContact CB-CB 3.9Å; F849-A861 HydrophobicContact CD1-CB 4.02Å; F849-A861 HydrophobicContact CG-CB 3.98Å; E850-A861 CarbonylContact O-C 3.58Å; E850-A861 WeakPolarHBondContact O-CA 3.41Å; Y851-A861 HydrophobicContact CD1-CB 3.93Å; Y851-A861 HydrophobicContact CE1-CB 3.91Å; A861-F882 HydrophobicContact CB-CB 4.28Å; A861-F882 HydrophobicContact CB-CD2 4.25Å; A861-L887 HydrophobicContact CB-CD1 4.33Å; A861-L887 HydrophobicContact CB-CD2 4.44Å
862C59.3Low50.5Low48 Ų4892.9 Ų92.932%0.32452%0.521SS..EExtended strand (participates in β ladder)trans-107139.7175.1-69.90000110.3F849 E850 K864F849-C862 CarbonylContact C-O 3.57Å; F849-C862 VanDerWaalsContact CA-O 3.32Å; F849-C862 WeakPolarHBondContact CA-O 3.32Å; E850-C862 PolarHBondContact N-O 3.42Å; E850-C862 PolarHBondContact O-N 3.32Å; C862-K864 PolarHBondContact O-N 2.79Å
863H59.2Low49.2Very low64 Ų6496.2 Ų96.230%0.29654%0.542SS..EExtended strand (participates in β ladder)trans-68.3130.1-178.3-169.3-82.3000110.9F849 A865 V866F849-H863 HydrophobicContact CD1-CB 4.37Å; F849-H863 HydrophobicContact CE1-CB 4.22Å; H863-A865 WeakPolarHBondContact ND1-CB 3.35Å; H863-A865 PolarHBondContact ND1-N 3.1Å; H863-A865 PolarHBondContact O-N 2.76Å; H863-V866 HydrophobicContact CB-CG2 4.13Å; H863-V866 WeakPolarHBondContact O-CB 3.4Å; H863-V866 PolarHBondContact O-N 3.07Å
864K59.8Low47.8Very low86 Ų8698.5 Ų98.537%0.37454%0.542SS..THydrogen-bonded Turntrans-52.7-29-177.1-81.9173.3179.8171.80115C847 Q848 F849 E850 C862 V866 S867C847-K864 WeakPolarHBondContact O-CE 3.44Å; C847-K864 PolarHBondContact O-NZ 3.32Å; Q848-K864 WeakPolarHBondContact O-CB 3.34Å; Q848-K864 WeakPolarHBondContact O-CG 3.43Å; Q848-K864 PolarHBondContact O-N 2.78Å; F849-K864 WeakPolarHBondContact O-CE 3.47Å; E850-K864 HydrophobicContact CB-CG 4.46Å; E850-K864 HydrophobicContact CG-CG 3.79Å; C862-K864 PolarHBondContact O-N 2.79Å; K864-V866 VanDerWaalsContact C-N 3.34Å; K864-S867 PolarHBondContact O-OG 3.17Å
865A47.9Very low46.4Very low60 Ų60101.5 Ų101.550%0.49657%0.574SS.*THydrogen-bonded Turntrans-75.6-20.217900000113.8H863 S867H863-A865 WeakPolarHBondContact ND1-CB 3.35Å; H863-A865 PolarHBondContact ND1-N 3.1Å; H863-A865 PolarHBondContact O-N 2.76Å; A865-S867 VanDerWaalsContact C-N 3.3Å; A865-S867 PolarHBondContact O-N 3.08Å
866V44.2Very low45.2Very low75 Ų75102 Ų10246%0.45557%0.569SS.*THydrogen-bonded Turntrans-75.2-23.2-178.4179.10000111.1H863 K864 E868H863-V866 HydrophobicContact CB-CG2 4.13Å; H863-V866 WeakPolarHBondContact O-CB 3.4Å; H863-V866 PolarHBondContact O-N 3.07Å; K864-V866 VanDerWaalsContact C-N 3.34Å; V866-E868 PolarHBondContact O-N 3.11Å
867S42.7Very low44.2Very low75 Ų7599.5 Ų99.552%0.52457%0.565SS.*THydrogen-bonded Turntrans-66.5-17.217911.30000113.8E850 K864 A865E850-S867 PolarHBondContact OE2-OG 2.89Å; E850-S867 VanDerWaalsContact OE2-OG 3.13Å; K864-S867 PolarHBondContact O-OG 3.17Å; A865-S867 VanDerWaalsContact C-N 3.3Å; A865-S867 PolarHBondContact O-N 3.08Å
868E38.6Very low43.4Very low178 Ų178100.5 Ų100.583%0.83256%0.561SS**THydrogen-bonded Turntrans-104.6-16.7-179.8-71.8-168.8160.700115.8V866 R870V866-E868 PolarHBondContact O-N 3.11Å; E868-R870 PolarHBondContact O-N 2.88Å
869V32.8Very low42.9Very low121 Ų12199.5 Ų99.573%0.73356%0.563SS**SBendtrans-90.7101.4-176.8-174.50000111L871V869-L871 PolarHBondContact O-N 3.13Å
870R30.5Very low42.6Very low227 Ų227103.6 Ų103.686%0.85758%0.579SS**  trans-43.1125.3171.3-68.6177.3179176.1-0.2111.9E868 N872E868-R870 PolarHBondContact O-N 2.88Å; R870-N872 PolarHBondContact O-N 2.89Å
871L33.3Very low42.5Very low176 Ų176107.8 Ų107.892%0.92160%0.596SS**  trans-12.996.4161.2-66.6159.5000113.7V869V869-L871 PolarHBondContact O-N 3.13Å
872N26.9Very low42.8Very low143 Ų143107.8 Ų107.877%0.76560%0.595SS**  trans-83139.5162.2-127.1-3.5000108.1R870 Q874R870-N872 PolarHBondContact O-N 2.89Å; N872-Q874 PolarHBondContact O-N 3.34Å
873P36.3Very low43.3Very low125 Ų125109 Ų10981%0.81260%0.601SS**THydrogen-bonded Turntrans-70.7-1.1-163.5-14.528.1000115.6
874Q32.5Very low43.8Very low170 Ų170107.5 Ų107.579%0.79460%0.595SS**THydrogen-bonded Turntrans-89.26.4-176.3-71.2-172.9-10.400114.6N872 L876N872-Q874 PolarHBondContact O-N 3.34Å; Q874-L876 PolarHBondContact O-N 3.12Å
875G30.3Very low44.7Very low72 Ų72108.7 Ų108.774%0.74261%0.605SS**  trans63.95.7163.300000116.8T877G875-T877 VanDerWaalsContact C-N 3.33Å; G875-T877 PolarHBondContact O-N 2.92Å
876L29.1Very low46.2Very low146 Ų146106.7 Ų106.776%0.76459%0.586SS**  trans-90.162.2176.1-82.4141.6000110.5Q874 S878Q874-L876 PolarHBondContact O-N 3.12Å; L876-S878 VanDerWaalsContact C-N 3.26Å; L876-S878 PolarHBondContact O-N 2.93Å
877T34.5Very low47.8Very low112 Ų112103.2 Ų103.269%0.68757%0.565SS**  trans-86.877.8155.1530000107.1G875 A879G875-T877 VanDerWaalsContact C-N 3.33Å; G875-T877 PolarHBondContact O-N 2.92Å; T877-A879 PolarHBondContact O-N 3.23Å
878S37.8Very low49.7Very low92 Ų92104.5 Ų104.564%0.64356%0.561SS**  trans-74.157.5172.160.60000110.3L876 K880L876-S878 VanDerWaalsContact C-N 3.26Å; L876-S878 PolarHBondContact O-N 2.93Å; S878-K880 PolarHBondContact O-N 3.41Å
879A44.7Very low51.9Low51 Ų51102 Ų10242%0.42155%0.548SS..  trans-69.291.7163.400000106.4T877 K881T877-A879 PolarHBondContact O-N 3.23Å; A879-K881 PolarHBondContact O-N 3.31Å
880K53.6Low54.3Low109 Ų10996.3 Ų96.347%0.47451%0.513SS..PPolyproline II helixtrans-65.9118.8175.9-75.1-175.1179.2-175.90108N819 S878N819-K880 VanDerWaalsContact C-CD 3.5Å; N819-K880 WeakPolarHBondContact O-CD 3.23Å; N819-K880 WeakPolarHBondContact O-CE 3.4Å; N819-K880 PolarHBondContact O-NZ 2.89Å; S878-K880 PolarHBondContact O-N 3.41Å
881K57.7Low56.9Low129 Ų12986 Ų8656%0.56148%0.475SS*.PPolyproline II helixtrans-70.3126.3-174.5-62.8-175.5176.2-165.20110.5E860 A879E860-K881 HydrophobicContact CG-CD 4.36Å; E860-K881 WeakPolarHBondContact OE1-CE 3.38Å; E860-K881 IonicContact OE1-NZ 3.38Å; E860-K881 PolarHBondContact OE1-NZ 3.28Å; E860-K881 IonicContact OE2-NZ 3.76Å; A879-K881 PolarHBondContact O-N 3.31Å
882F66.5Low59.3Low5 Ų580.9 Ų80.92%0.02245%0.451CS..PPolyproline II helixtrans-76.4129.3163.2-72.5-97000108.8L817 F822 M845 F849 A861 I886 L887 I890L817-F882 WeakPolarHBondContact O-CZ 3.47Å; F822-F882 AromaticContact CE1-CD1 3.79Å; F822-F882 HydrophobicContact CE1-CD1 3.79Å; F822-F882 AromaticContact CE1-CE1 3.7Å; F822-F882 HydrophobicContact CE1-CE1 3.7Å; F822-F882 HydrophobicContact CE1-CZ 4.42Å; F822-F882 HydrophobicContact CZ-CD1 4.34Å; M845-F882 HydrophobicContact SD-CZ 4.37Å; F849-F882 HydrophobicContact CE1-CD2 4.24Å; F849-F882 AromaticContact CE1-CE2 3.75Å; F849-F882 HydrophobicContact CE1-CE2 3.75Å; F849-F882 AromaticContact CE2-CE2 3.89Å; F849-F882 HydrophobicContact CE2-CE2 3.89Å; F849-F882 HydrophobicContact CE2-CZ 4.21Å; F849-F882 HydrophobicContact CZ-CD2 4.2Å; F849-F882 AromaticContact CZ-CE2 3.35Å; F849-F882 HydrophobicContact CZ-CE2 3.35Å; F849-F882 AromaticContact CZ-CZ 3.96Å; F849-F882 HydrophobicContact CZ-CZ 3.96Å; A861-F882 HydrophobicContact CB-CB 4.28Å; A861-F882 HydrophobicContact CB-CD2 4.25Å; F882-I886 HydrophobicContact CD1-CG2 3.81Å; F882-I886 HydrophobicContact CE1-CG2 4.36Å; F882-L887 HydrophobicContact CB-CD1 4.38Å; F882-L887 HydrophobicContact CB-CD2 4.05Å; F882-L887 HydrophobicContact CB-CG 3.95Å; F882-L887 HydrophobicContact CD1-CD2 4.34Å; F882-L887 HydrophobicContact CG-CD2 4.26Å; F882-I890 HydrophobicContact CD1-CD1 4.27Å; F882-I890 HydrophobicContact CE1-CD1 4.03Å
883T69.4Low62.1Low72 Ų7275.5 Ų75.544%0.44242%0.42SS..PPolyproline II helixtrans-77.4154.4167.858.60000110.2D885 I886 L887T883-D885 PolarHBondContact O-N 2.98Å; T883-I886 PolarHBondContact O-N 3.37Å; T883-I886 WeakPolarHBondContact OG1-CD1 3.48Å; T883-I886 VanDerWaalsContact OG1-CG1 3.27Å; T883-I886 WeakPolarHBondContact OG1-CG1 3.42Å; T883-L887 PolarHBondContact O-N 3.01Å; T883-L887 VanDerWaalsContact O-N 3.13Å
884L71.4Confident64.4Low33 Ų3369.5 Ų69.517%0.17338%0.381CS..Hα-helixtrans-51.7-40177.9-169.378000112.1V859 I886 L887 K888 I915V859-L884 HydrophobicContact CB-CD1 3.97Å; V859-L884 HydrophobicContact CG2-CD1 3.99Å; L884-I886 VanDerWaalsContact C-N 3.33Å; L884-I886 PolarHBondContact O-N 3.32Å; L884-L887 PolarHBondContact O-N 3.37Å; L884-K888 HydrophobicContact CG-CD 4.4Å; L884-K888 WeakPolarHBondContact O-CB 3.47Å; L884-K888 WeakPolarHBondContact O-CG 3.37Å; L884-K888 PolarHBondContact O-N 3.21Å; L884-I915 HydrophobicContact CD1-CG2 3.51Å
885D77.1Confident66.9Low111 Ų11163.8 Ų63.859%0.59436%0.356SS*.Hα-helixtrans-64.2-36.4179.6-70-19.6000112.8T883 K889T883-D885 PolarHBondContact O-N 2.98Å; D885-K889 WeakPolarHBondContact O-CG 3.36Å; D885-K889 PolarHBondContact O-N 3.09Å
886I80Confident69.5Low19 Ų1967.6 Ų67.610%0.09736%0.355CS..Hα-helixtrans-71.5-44.8178.2-63.5164.4000109.7F822 F826 F882 T883 L884 K888 K889 I890F822-I886 HydrophobicContact CB-CD1 4.32Å; F822-I886 HydrophobicContact CD1-CD1 3.81Å; F822-I886 HydrophobicContact CD1-CG1 4.39Å; F822-I886 HydrophobicContact CD1-CG2 3.57Å; F822-I886 HydrophobicContact CD2-CD1 3.32Å; F822-I886 HydrophobicContact CD2-CG1 4.41Å; F822-I886 HydrophobicContact CE1-CD1 3.85Å; F822-I886 HydrophobicContact CE1-CG2 3.79Å; F822-I886 HydrophobicContact CE2-CD1 3.35Å; F822-I886 HydrophobicContact CG-CD1 3.54Å; F822-I886 HydrophobicContact CG-CG1 4.22Å; F822-I886 HydrophobicContact CG-CG2 4.2Å; F822-I886 HydrophobicContact CZ-CD1 3.6Å; F826-I886 HydrophobicContact CE2-CG2 4.27Å; F826-I886 HydrophobicContact CZ-CG2 4.13Å; F882-I886 HydrophobicContact CD1-CG2 3.81Å; F882-I886 HydrophobicContact CE1-CG2 4.36Å; T883-I886 PolarHBondContact O-N 3.37Å; T883-I886 WeakPolarHBondContact OG1-CD1 3.48Å; T883-I886 VanDerWaalsContact OG1-CG1 3.27Å; T883-I886 WeakPolarHBondContact OG1-CG1 3.42Å; L884-I886 VanDerWaalsContact C-N 3.33Å; L884-I886 PolarHBondContact O-N 3.32Å; I886-K888 VanDerWaalsContact C-N 3.3Å; I886-K888 PolarHBondContact O-N 3.07Å; I886-K889 PolarHBondContact O-N 3.42Å; I886-I890 HydrophobicContact CG2-CD1 3.87Å; I886-I890 HydrophobicContact CG2-CG1 4.49Å; I886-I890 VanDerWaalsContact O-CG1 3.32Å; I886-I890 WeakPolarHBondContact O-CG1 3.27Å; I886-I890 PolarHBondContact O-N 2.82Å
887L78.8Confident72.1Confident1 Ų162 Ų621%0.00533%0.326CS..Hα-helixtrans-57.9-44.8175-71.3173000111L846 Y851 A861 F882 T883 L884 I890 I891 I915L846-L887 HydrophobicContact CD2-CD2 3.82Å; Y851-L887 HydrophobicContact CD1-CD1 4.25Å; Y851-L887 HydrophobicContact CE1-CD1 4.06Å; Y851-L887 HydrophobicContact CE1-CD2 4.05Å; A861-L887 HydrophobicContact CB-CD1 4.33Å; A861-L887 HydrophobicContact CB-CD2 4.44Å; F882-L887 HydrophobicContact CB-CD1 4.38Å; F882-L887 HydrophobicContact CB-CD2 4.05Å; F882-L887 HydrophobicContact CB-CG 3.95Å; F882-L887 HydrophobicContact CD1-CD2 4.34Å; F882-L887 HydrophobicContact CG-CD2 4.26Å; T883-L887 PolarHBondContact O-N 3.01Å; T883-L887 VanDerWaalsContact O-N 3.13Å; L884-L887 PolarHBondContact O-N 3.37Å; L887-I890 PolarHBondContact O-N 2.9Å; L887-I891 WeakPolarHBondContact O-CB 3.27Å; L887-I891 VanDerWaalsContact O-CG1 3.27Å; L887-I891 WeakPolarHBondContact O-CG1 3.43Å; L887-I891 PolarHBondContact O-N 2.94Å; L887-I915 HydrophobicContact CB-CD1 4.3Å; L887-I915 HydrophobicContact CD1-CD1 4.3Å
888K82Confident74.3Confident102 Ų10257.1 Ų57.144%0.44330%0.296SS..Hα-helixtrans-58.3-48.9174.7-76.8175.8178.4174.60111.6L884 I886 I890 I891 T892L884-K888 HydrophobicContact CG-CD 4.4Å; L884-K888 WeakPolarHBondContact O-CB 3.47Å; L884-K888 WeakPolarHBondContact O-CG 3.37Å; L884-K888 PolarHBondContact O-N 3.21Å; I886-K888 VanDerWaalsContact C-N 3.3Å; I886-K888 PolarHBondContact O-N 3.07Å; K888-I890 VanDerWaalsContact C-N 3.33Å; K888-I890 PolarHBondContact O-N 3.42Å; K888-I891 PolarHBondContact O-N 3.21Å; K888-T892 WeakPolarHBondContact O-CB 3.28Å; K888-T892 PolarHBondContact O-N 3.45Å; K888-T892 PolarHBondContact O-OG1 3.37Å
889K83.8Confident76.2Confident127 Ų12755.7 Ų55.755%0.55229%0.285SS*.Hα-helixtrans-57.5-43.4177.2-78.3-179.8177.6-178.40112.9F826 D885 I886 Y893F826-K889 HydrophobicContact CE1-CB 3.84Å; F826-K889 HydrophobicContact CE2-CB 4.42Å; F826-K889 HydrophobicContact CE2-CD 4.03Å; F826-K889 HydrophobicContact CZ-CB 3.63Å; F826-K889 HydrophobicContact CZ-CD 4.07Å; D885-K889 WeakPolarHBondContact O-CG 3.36Å; D885-K889 PolarHBondContact O-N 3.09Å; I886-K889 PolarHBondContact O-N 3.42Å; K889-Y893 PolarHBondContact O-N 3.06Å; K889-Y893 VanDerWaalsContact O-N 3.07Å
890I84Confident77.5Confident1 Ų158.1 Ų58.11%0.00530%0.297CS..Hα-helixtrans-64.9-45.7178.3-63.5162.7000110.1L817 F826 L842 M845 L846 F882 I886 L887 K888 Y893 V894L817-I890 HydrophobicContact CD1-CD1 4.36Å; F826-I890 HydrophobicContact CE1-CG1 4.14Å; F826-I890 HydrophobicContact CZ-CG1 4.03Å; L842-I890 HydrophobicContact CB-CG2 4.11Å; L842-I890 HydrophobicContact CD1-CG2 4.37Å; L842-I890 HydrophobicContact CD2-CG2 4.32Å; L842-I890 HydrophobicContact CG-CG2 4.49Å; M845-I890 HydrophobicContact CE-CD1 4.1Å; M845-I890 HydrophobicContact CE-CG2 4.32Å; L846-I890 HydrophobicContact CD1-CG2 3.9Å; L846-I890 HydrophobicContact CD2-CG2 4.22Å; L846-I890 HydrophobicContact CG-CG2 4.12Å; F882-I890 HydrophobicContact CD1-CD1 4.27Å; F882-I890 HydrophobicContact CE1-CD1 4.03Å; I886-I890 HydrophobicContact CG2-CD1 3.87Å; I886-I890 HydrophobicContact CG2-CG1 4.49Å; I886-I890 VanDerWaalsContact O-CG1 3.32Å; I886-I890 WeakPolarHBondContact O-CG1 3.27Å; I886-I890 PolarHBondContact O-N 2.82Å; L887-I890 PolarHBondContact O-N 2.9Å; K888-I890 VanDerWaalsContact C-N 3.33Å; K888-I890 PolarHBondContact O-N 3.42Å; I890-Y893 PolarHBondContact O-N 3.29Å; I890-V894 WeakPolarHBondContact O-CG2 3.39Å; I890-V894 PolarHBondContact O-N 3.13Å
891I84.2Confident78.6Confident11 Ų1160.1 Ų60.16%0.05631%0.312CS..Hα-helixtrans-65.4-43.3180-69.5166.8000111.4L846 L887 K888 Y893 V894 D895 L908 I911 K912 I915L846-I891 HydrophobicContact CD1-CG1 3.84Å; L887-I891 WeakPolarHBondContact O-CB 3.27Å; L887-I891 VanDerWaalsContact O-CG1 3.27Å; L887-I891 WeakPolarHBondContact O-CG1 3.43Å; L887-I891 PolarHBondContact O-N 2.94Å; K888-I891 PolarHBondContact O-N 3.21Å; I891-Y893 VanDerWaalsContact C-N 3.29Å; I891-Y893 PolarHBondContact O-N 3.3Å; I891-V894 PolarHBondContact O-N 3.29Å; I891-D895 WeakPolarHBondContact O-CB 3.48Å; I891-D895 PolarHBondContact O-N 3.27Å; I891-L908 HydrophobicContact CG1-CD1 4.47Å; I891-L908 HydrophobicContact CG2-CD1 4.34Å; I891-I911 HydrophobicContact CD1-CG2 4.17Å; I891-K912 HydrophobicContact CG2-CD 4.12Å; I891-K912 HydrophobicContact CG2-CG 3.69Å; I891-I915 HydrophobicContact CD1-CD1 3.32Å
892T85.4Confident79.6Confident67 Ų6755.5 Ų55.541%0.41129%0.291SS..Hα-helixtrans-58.2-43.9175.7-56.60000110.7K888 D895 E896K888-T892 WeakPolarHBondContact O-CB 3.28Å; K888-T892 PolarHBondContact O-N 3.45Å; K888-T892 PolarHBondContact O-OG1 3.37Å; T892-D895 PolarHBondContact O-N 3.1Å; T892-E896 HydrophobicContact CG2-CG 4.36Å; T892-E896 WeakPolarHBondContact O-CB 3.47Å; T892-E896 VanDerWaalsContact O-CG 3.31Å; T892-E896 WeakPolarHBondContact O-CG 3.46Å; T892-E896 PolarHBondContact O-N 3.35Å
893Y85.7Confident80.1Confident30 Ų3061.7 Ų61.712%0.11833%0.33CS..Hα-helixtrans-61.1-47175.2-179.9-90.5000112.4L829 M838 L842 K889 I890 I891 D895 E896 V897L829-Y893 HydrophobicContact CB-CE2 4.28Å; L829-Y893 HydrophobicContact CD1-CD2 4.09Å; L829-Y893 HydrophobicContact CD1-CE2 4.19Å; L829-Y893 HydrophobicContact CD1-CG 4.34Å; L829-Y893 HydrophobicContact CD2-CE1 4.06Å; L829-Y893 HydrophobicContact CD2-CE2 4.28Å; M838-Y893 HydrophobicContact CB-CE1 4.49Å; M838-Y893 HydrophobicContact CG-CE1 4.09Å; L842-Y893 HydrophobicContact CD1-CD1 3.49Å; L842-Y893 VanDerWaalsContact CD1-CD1 3.49Å; L842-Y893 HydrophobicContact CD1-CE1 3.77Å; L842-Y893 HydrophobicContact CD1-CG 4.48Å; K889-Y893 PolarHBondContact O-N 3.06Å; K889-Y893 VanDerWaalsContact O-N 3.07Å; I890-Y893 PolarHBondContact O-N 3.29Å; I891-Y893 VanDerWaalsContact C-N 3.29Å; I891-Y893 PolarHBondContact O-N 3.3Å; Y893-D895 VanDerWaalsContact C-N 3.31Å; Y893-D895 PolarHBondContact O-N 3.31Å; Y893-E896 PolarHBondContact O-N 3.43Å; Y893-V897 HydrophobicContact CD1-CG2 4.41Å; Y893-V897 HydrophobicContact CD2-CG2 4.37Å; Y893-V897 HydrophobicContact CE1-CG2 4.1Å; Y893-V897 HydrophobicContact CE2-CG2 4.07Å; Y893-V897 WeakPolarHBondContact O-CB 3.33Å; Y893-V897 VanDerWaalsContact O-CG2 3.28Å; Y893-V897 WeakPolarHBondContact O-CG2 3.2Å; Y893-V897 PolarHBondContact O-N 2.92Å; Y893-V897 VanDerWaalsContact O-N 3.13Å
894V84.6Confident80.6Confident0 Ų059.9 Ų59.90%032%0.32CS..Hα-helixtrans-61.6-40.9178.1176.30000110.9A839 L842 F843 I890 I891 T898 W902 L908A839-V894 HydrophobicContact CB-CG1 4.4Å; A839-V894 HydrophobicContact CB-CG2 4.49Å; L842-V894 HydrophobicContact CB-CG2 3.85Å; L842-V894 HydrophobicContact CD1-CG2 4.45Å; F843-V894 HydrophobicContact CB-CG1 4.42Å; I890-V894 WeakPolarHBondContact O-CG2 3.39Å; I890-V894 PolarHBondContact O-N 3.13Å; I891-V894 PolarHBondContact O-N 3.29Å; V894-T898 HydrophobicContact CG1-CG2 4.1Å; V894-T898 VanDerWaalsContact O-CB 3.29Å; V894-T898 WeakPolarHBondContact O-CB 3.06Å; V894-T898 WeakPolarHBondContact O-CG2 3.43Å; V894-T898 PolarHBondContact O-N 2.93Å; V894-T898 PolarHBondContact O-OG1 3.14Å; V894-W902 HydrophobicContact CG1-CH2 3.73Å; V894-W902 HydrophobicContact CG1-CZ3 3.86Å; V894-L908 HydrophobicContact CB-CD2 4.47Å; V894-L908 HydrophobicContact CG1-CD1 4.3Å; V894-L908 HydrophobicContact CG1-CD2 3.84Å
895D84Confident81Confident49 Ų4960.7 Ų60.726%0.26232%0.322SS..Hα-helixtrans-65.4-42.3177.4-96.7-14.3000113.7I891 T892 Y893 V897 L908 K912I891-D895 WeakPolarHBondContact O-CB 3.48Å; I891-D895 PolarHBondContact O-N 3.27Å; T892-D895 PolarHBondContact O-N 3.1Å; Y893-D895 VanDerWaalsContact C-N 3.31Å; Y893-D895 PolarHBondContact O-N 3.31Å; D895-V897 VanDerWaalsContact C-N 3.33Å; D895-L908 WeakPolarHBondContact OD1-CD2 3.43Å; D895-K912 VanDerWaalsContact CG-CE 3.49Å; D895-K912 WeakPolarHBondContact OD1-CE 3.39Å; D895-K912 IonicContact OD1-NZ 2.94Å; D895-K912 PolarHBondContact OD1-NZ 3.27Å; D895-K912 WeakPolarHBondContact OD2-CE 3.49Å; D895-K912 IonicContact OD2-NZ 3.95Å; D895-K912 PolarHBondContact OD2-NZ 3.02Å
896E84.6Confident81.1Confident153 Ų15359.4 Ų59.472%0.71533%0.327SS*.Hα-helixtrans-67.9-35.8-178.6-77.6178.217800111.8T892 Y893T892-E896 HydrophobicContact CG2-CG 4.36Å; T892-E896 WeakPolarHBondContact O-CB 3.47Å; T892-E896 VanDerWaalsContact O-CG 3.31Å; T892-E896 WeakPolarHBondContact O-CG 3.46Å; T892-E896 PolarHBondContact O-N 3.35Å; Y893-E896 PolarHBondContact O-N 3.43Å
897V84.6Confident81.1Confident27 Ų2763.1 Ų63.116%0.16434%0.34CS..Hα-helixtrans-87.7-31.1-175.2177.60000112.5Q835 A839 Y893 D895Q835-V897 VanDerWaalsContact C-CG1 3.49Å; Q835-V897 HydrophobicContact CB-CG1 3.7Å; Q835-V897 HydrophobicContact CB-CG2 4.41Å; Q835-V897 WeakPolarHBondContact O-CG1 3.37Å; A839-V897 HydrophobicContact CB-CB 4.18Å; A839-V897 HydrophobicContact CB-CG1 4.03Å; Y893-V897 HydrophobicContact CD1-CG2 4.41Å; Y893-V897 HydrophobicContact CD2-CG2 4.37Å; Y893-V897 HydrophobicContact CE1-CG2 4.1Å; Y893-V897 HydrophobicContact CE2-CG2 4.07Å; Y893-V897 WeakPolarHBondContact O-CB 3.33Å; Y893-V897 VanDerWaalsContact O-CG2 3.28Å; Y893-V897 WeakPolarHBondContact O-CG2 3.2Å; Y893-V897 PolarHBondContact O-N 2.92Å; Y893-V897 VanDerWaalsContact O-N 3.13Å; D895-V897 VanDerWaalsContact C-N 3.33Å
898T81.2Confident81.2Confident10 Ų1063 Ų636%0.06134%0.34CS..SBendtrans-84.6136-176.757.70000112.5A839 V894 W902A839-T898 HydrophobicContact CB-CG2 3.8Å; V894-T898 HydrophobicContact CG1-CG2 4.1Å; V894-T898 VanDerWaalsContact O-CB 3.29Å; V894-T898 WeakPolarHBondContact O-CB 3.06Å; V894-T898 WeakPolarHBondContact O-CG2 3.43Å; V894-T898 PolarHBondContact O-N 2.93Å; V894-T898 PolarHBondContact O-OG1 3.14Å; T898-W902 HydrophobicContact CG2-CD2 3.6Å; T898-W902 HydrophobicContact CG2-CE3 3.82Å; T898-W902 HydrophobicContact CG2-CG 4.06Å; T898-W902 HydrophobicContact CG2-CH2 4.08Å; T898-W902 HydrophobicContact CG2-CZ2 3.91Å; T898-W902 HydrophobicContact CG2-CZ3 4.06Å
899P77.9Confident81.1Confident62 Ų6261.2 Ų61.240%0.40334%0.335SS..  trans-64.2158.5177.725.7-32.5000112D901 W902P899-D901 PolarHBondContact O-N 3.11Å; P899-D901 VanDerWaalsContact O-N 3.16Å; P899-W902 HydrophobicContact CG-CB 4.3Å; P899-W902 VanDerWaalsContact O-CB 3.25Å; P899-W902 WeakPolarHBondContact O-CB 3.49Å; P899-W902 PolarHBondContact O-N 3.16Å; P899-W902 VanDerWaalsContact O-N 3.11Å
900P71.9Confident80.9Confident103 Ų10362.6 Ų62.667%0.66934%0.337SS*.THydrogen-bonded Turntrans-58.3-28.1177.421.5-31.1000113.5W902 K905P900-W902 VanDerWaalsContact C-N 3.31Å; P900-W902 PolarHBondContact O-N 2.88Å; P900-K905 WeakPolarHBondContact O-CD 3.23Å
901D76.2Confident80.5Confident151 Ų15162.8 Ų62.881%0.80734%0.338SS*.THydrogen-bonded Turntrans-91.315.9-179.6-55.2-27.5000113.5P899 T903P899-D901 PolarHBondContact O-N 3.11Å; P899-D901 VanDerWaalsContact O-N 3.16Å; D901-T903 PolarHBondContact O-N 3.5Å
902W79.1Confident80.3Confident31 Ų3164.2 Ų64.212%0.11734%0.344CS..  trans-65.1128.2-178.8-174.559.4000111.3D840 F843 V894 T898 P899 P900 S904 K905 L908D840-W902 VanDerWaalsContact OD1-CZ2 3.23Å; D840-W902 WeakPolarHBondContact OD1-CZ2 3.47Å; D840-W902 PolarHBondContact OD1-NE1 3.46Å; F843-W902 HydrophobicContact CB-CH2 3.59Å; F843-W902 HydrophobicContact CB-CZ2 4.11Å; F843-W902 AromaticContact CD1-CH2 3.92Å; F843-W902 HydrophobicContact CD1-CH2 3.92Å; F843-W902 HydrophobicContact CD1-CZ2 4.19Å; F843-W902 AromaticContact CD2-CH2 3.56Å; F843-W902 HydrophobicContact CD2-CH2 3.56Å; F843-W902 HydrophobicContact CD2-CZ3 4.07Å; F843-W902 HydrophobicContact CE2-CH2 4.2Å; F843-W902 HydrophobicContact CE2-CZ3 4.42Å; F843-W902 AromaticContact CG-CH2 3.39Å; F843-W902 HydrophobicContact CG-CH2 3.39Å; F843-W902 HydrophobicContact CG-CZ2 4.04Å; F843-W902 HydrophobicContact CG-CZ3 4.33Å; V894-W902 HydrophobicContact CG1-CH2 3.73Å; V894-W902 HydrophobicContact CG1-CZ3 3.86Å; T898-W902 HydrophobicContact CG2-CD2 3.6Å; T898-W902 HydrophobicContact CG2-CE3 3.82Å; T898-W902 HydrophobicContact CG2-CG 4.06Å; T898-W902 HydrophobicContact CG2-CH2 4.08Å; T898-W902 HydrophobicContact CG2-CZ2 3.91Å; T898-W902 HydrophobicContact CG2-CZ3 4.06Å; P899-W902 HydrophobicContact CG-CB 4.3Å; P899-W902 VanDerWaalsContact O-CB 3.25Å; P899-W902 WeakPolarHBondContact O-CB 3.49Å; P899-W902 PolarHBondContact O-N 3.16Å; P899-W902 VanDerWaalsContact O-N 3.11Å; P900-W902 VanDerWaalsContact C-N 3.31Å; P900-W902 PolarHBondContact O-N 2.88Å; W902-S904 PolarHBondContact O-N 3.18Å; W902-S904 VanDerWaalsContact O-N 3.08Å; W902-K905 HydrophobicContact CE3-CB 4.35Å; W902-K905 WeakPolarHBondContact O-CB 3.16Å; W902-K905 PolarHBondContact O-N 2.99Å; W902-L908 HydrophobicContact CZ3-CB 4.21Å; W902-L908 HydrophobicContact CZ3-CD2 4.02Å
903T77.2Confident79.9Confident136 Ų13666.3 Ų66.383%0.83435%0.352SS*.THydrogen-bonded Turntrans-57.9-29.4-170.648.10000113.6D901D901-T903 PolarHBondContact O-N 3.5Å
904S79.7Confident79.2Confident33 Ų3369.2 Ų69.223%0.23137%0.37CS..THydrogen-bonded Turntrans-91.10.6-178.1-62.70000114.1W902 A906 Y907 L908W902-S904 PolarHBondContact O-N 3.18Å; W902-S904 VanDerWaalsContact O-N 3.08Å; S904-A906 PolarHBondContact O-N 3.42Å; S904-Y907 PolarHBondContact O-N 3.47Å; S904-L908 PolarHBondContact O-N 3.34Å
905K79.6Confident78.4Confident51 Ų5169.6 Ų69.622%0.22237%0.372CS..Hα-helixtrans-60.9-39.9-172.8-165151.9-170139.50113.4P900 W902 Y907 L908 D909P900-K905 WeakPolarHBondContact O-CD 3.23Å; W902-K905 HydrophobicContact CE3-CB 4.35Å; W902-K905 WeakPolarHBondContact O-CB 3.16Å; W902-K905 PolarHBondContact O-N 2.99Å; K905-Y907 PolarHBondContact O-N 3.18Å; K905-L908 PolarHBondContact O-N 2.87Å; K905-D909 PolarHBondContact O-N 3.02Å
906A79.3Confident77.5Confident83 Ų8374.6 Ų74.669%0.68640%0.404SS*.Hα-helixtrans-60.9-32.3175.500000113.3S904 R910S904-A906 PolarHBondContact O-N 3.42Å; A906-R910 PolarHBondContact O-N 3.17Å
907Y80Confident77.2Confident97 Ų9770.7 Ų70.738%0.3839%0.388SS..Hα-helixtrans-79.7-37.5176.1-164.7-94.2000111.5F843 C847 S904 K905 D909 R910 I911F843-Y907 AromaticContact CE2-CD1 3.89Å; F843-Y907 HydrophobicContact CE2-CD1 3.89Å; F843-Y907 AromaticContact CZ-CD1 3.59Å; F843-Y907 HydrophobicContact CZ-CD1 3.59Å; F843-Y907 HydrophobicContact CZ-CG 4.19Å; C847-Y907 HydrophobicContact CB-CE1 4.27Å; C847-Y907 WeakPolarHBondContact SG-CE1 3.45Å; S904-Y907 PolarHBondContact O-N 3.47Å; K905-Y907 PolarHBondContact O-N 3.18Å; Y907-D909 VanDerWaalsContact C-N 3.32Å; Y907-D909 PolarHBondContact O-N 2.91Å; Y907-R910 WeakPolarHBondContact O-CB 3.21Å; Y907-R910 PolarHBondContact O-N 2.93Å; Y907-I911 HydrophobicContact CD1-CD1 3.81Å; Y907-I911 HydrophobicContact CD1-CG1 4.21Å; Y907-I911 HydrophobicContact CE1-CD1 3.79Å; Y907-I911 HydrophobicContact CE1-CG1 4.13Å; Y907-I911 WeakPolarHBondContact O-CG1 3.37Å; Y907-I911 PolarHBondContact O-N 3Å
908L80.2Confident76.8Confident0 Ų072.9 Ų72.90%040%0.4CS..Hα-helixtrans-60.7-41.3172.3-176.869.2000111.5F843 L846 I891 V894 D895 W902 S904 K905 R910 I911 K912F843-L908 HydrophobicContact CD2-CB 4.34Å; F843-L908 HydrophobicContact CD2-CD1 4.11Å; F843-L908 HydrophobicContact CE2-CB 4.03Å; F843-L908 HydrophobicContact CE2-CD1 4.48Å; L846-L908 HydrophobicContact CD1-CD1 4.5Å; I891-L908 HydrophobicContact CG1-CD1 4.47Å; I891-L908 HydrophobicContact CG2-CD1 4.34Å; V894-L908 HydrophobicContact CB-CD2 4.47Å; V894-L908 HydrophobicContact CG1-CD1 4.3Å; V894-L908 HydrophobicContact CG1-CD2 3.84Å; D895-L908 WeakPolarHBondContact OD1-CD2 3.43Å; W902-L908 HydrophobicContact CZ3-CB 4.21Å; W902-L908 HydrophobicContact CZ3-CD2 4.02Å; S904-L908 PolarHBondContact O-N 3.34Å; K905-L908 PolarHBondContact O-N 2.87Å; L908-R910 VanDerWaalsContact C-N 3.28Å; L908-R910 PolarHBondContact O-N 2.66Å; L908-I911 WeakPolarHBondContact O-CB 3.29Å; L908-I911 PolarHBondContact O-N 3.28Å; L908-K912 WeakPolarHBondContact O-CG 3.31Å; L908-K912 PolarHBondContact O-N 2.87Å
909D80.8Confident76.5Confident64 Ų6476.4 Ų76.434%0.34242%0.419SS..Hα-helixtrans-66.2-31.2176.2-68.6-26000112.2K905 Y907 K912 N913K905-D909 PolarHBondContact O-N 3.02Å; Y907-D909 VanDerWaalsContact C-N 3.32Å; Y907-D909 PolarHBondContact O-N 2.91Å; D909-K912 PolarHBondContact O-N 3.17Å; D909-K912 IonicContact OD1-NZ 3.58Å; D909-K912 PolarHBondContact OD1-NZ 3.33Å; D909-N913 WeakPolarHBondContact O-CB 2.9Å; D909-N913 PolarHBondContact O-N 3.08Å; D909-N913 PolarHBondContact O-ND2 2.65Å
910R79.2Confident76.5Confident156 Ų15677.3 Ų77.359%0.58942%0.42SS*.Hα-helixtrans-65.7-45.2169.8-173.5179.6177.5172.40.9111.7A906 Y907 L908 K912 N913 D914A906-R910 PolarHBondContact O-N 3.17Å; Y907-R910 WeakPolarHBondContact O-CB 3.21Å; Y907-R910 PolarHBondContact O-N 2.93Å; L908-R910 VanDerWaalsContact C-N 3.28Å; L908-R910 PolarHBondContact O-N 2.66Å; R910-K912 VanDerWaalsContact C-N 3.31Å; R910-K912 PolarHBondContact O-N 3.44Å; R910-N913 PolarHBondContact O-N 3.19Å; R910-D914 VanDerWaalsContact O-CG 3.3Å; R910-D914 PolarHBondContact O-N 2.72Å
911I75.6Confident76.7Confident5 Ų575.7 Ų75.73%0.02641%0.405CS..Hα-helixtrans-60.3-41.4175-65.9171.2000110.7F843 L846 Y851 I891 Y907 L908 N913 D914 I915F843-I911 HydrophobicContact CE2-CD1 4.29Å; L846-I911 HydrophobicContact CB-CD1 4.27Å; Y851-I911 HydrophobicContact CE2-CG1 4.38Å; Y851-I911 HydrophobicContact CE2-CG2 3.88Å; I891-I911 HydrophobicContact CD1-CG2 4.17Å; Y907-I911 HydrophobicContact CD1-CD1 3.81Å; Y907-I911 HydrophobicContact CD1-CG1 4.21Å; Y907-I911 HydrophobicContact CE1-CD1 3.79Å; Y907-I911 HydrophobicContact CE1-CG1 4.13Å; Y907-I911 WeakPolarHBondContact O-CG1 3.37Å; Y907-I911 PolarHBondContact O-N 3Å; L908-I911 WeakPolarHBondContact O-CB 3.29Å; L908-I911 PolarHBondContact O-N 3.28Å; I911-N913 PolarHBondContact O-N 3.3Å; I911-D914 PolarHBondContact O-N 2.99Å; I911-I915 HydrophobicContact CG2-CD1 3.58Å; I911-I915 HydrophobicContact CG2-CG1 4.45Å; I911-I915 WeakPolarHBondContact O-CD1 3.37Å; I911-I915 VanDerWaalsContact O-CG1 3.23Å; I911-I915 WeakPolarHBondContact O-CG1 3.43Å; I911-I915 PolarHBondContact O-N 3.11Å; I911-I915 VanDerWaalsContact O-N 3.11Å
912K78.8Confident76.8Confident41 Ų4170.7 Ų70.718%0.17838%0.378CS..Hα-helixtrans-58.1-48.2173.7-74.6174.4-160.1158.80111.7I891 D895 L908 D909 R910 D914 I915 T916I891-K912 HydrophobicContact CG2-CD 4.12Å; I891-K912 HydrophobicContact CG2-CG 3.69Å; D895-K912 VanDerWaalsContact CG-CE 3.49Å; D895-K912 WeakPolarHBondContact OD1-CE 3.39Å; D895-K912 IonicContact OD1-NZ 2.94Å; D895-K912 PolarHBondContact OD1-NZ 3.27Å; D895-K912 WeakPolarHBondContact OD2-CE 3.49Å; D895-K912 IonicContact OD2-NZ 3.95Å; D895-K912 PolarHBondContact OD2-NZ 3.02Å; L908-K912 WeakPolarHBondContact O-CG 3.31Å; L908-K912 PolarHBondContact O-N 2.87Å; D909-K912 PolarHBondContact O-N 3.17Å; D909-K912 IonicContact OD1-NZ 3.58Å; D909-K912 PolarHBondContact OD1-NZ 3.33Å; R910-K912 VanDerWaalsContact C-N 3.31Å; R910-K912 PolarHBondContact O-N 3.44Å; K912-D914 VanDerWaalsContact C-N 3.29Å; K912-D914 PolarHBondContact O-N 3.45Å; K912-I915 PolarHBondContact O-N 3.37Å; K912-I915 VanDerWaalsContact O-N 3.14Å; K912-T916 WeakPolarHBondContact O-CG2 3.19Å; K912-T916 PolarHBondContact O-N 3.16Å; K912-T916 PolarHBondContact O-OG1 3.01Å
913N77.1Confident76.6Confident111 Ų11173.5 Ų73.559%0.59440%0.396SS*.Hα-helixtrans-64.5-32.2179.3-69.5-20.2000112.8D909 R910 I911 I915 T916D909-N913 WeakPolarHBondContact O-CB 2.9Å; D909-N913 PolarHBondContact O-N 3.08Å; D909-N913 PolarHBondContact O-ND2 2.65Å; R910-N913 PolarHBondContact O-N 3.19Å; I911-N913 PolarHBondContact O-N 3.3Å; N913-I915 VanDerWaalsContact C-N 3.3Å; N913-T916 WeakPolarHBondContact CA-OG1 3.25Å; N913-T916 PolarHBondContact O-OG1 2.87Å
914D71.9Confident76.6Confident90 Ų9068.7 Ų68.748%0.48136%0.363SS..Hα-helixtrans-74.4-22.1176-67.9-20000112.2R910 I911 K912R910-D914 VanDerWaalsContact O-CG 3.3Å; R910-D914 PolarHBondContact O-N 2.72Å; I911-D914 PolarHBondContact O-N 2.99Å; K912-D914 VanDerWaalsContact C-N 3.29Å; K912-D914 PolarHBondContact O-N 3.45Å
915I68.2Low76.3Confident9 Ų971.7 Ų71.75%0.04637%0.374CS..Hα-helixtrans-93.3-30.2-179.9-68.9167000112.5Y851 V859 L884 L887 I891 I911 K912 N913Y851-I915 HydrophobicContact CD1-CD1 4.32Å; Y851-I915 HydrophobicContact CD1-CG1 4.07Å; Y851-I915 HydrophobicContact CE1-CD1 3.94Å; Y851-I915 HydrophobicContact CE1-CG1 4.21Å; Y851-I915 HydrophobicContact CG-CG1 4.48Å; V859-I915 HydrophobicContact CG1-CG1 4.48Å; L884-I915 HydrophobicContact CD1-CG2 3.51Å; L887-I915 HydrophobicContact CB-CD1 4.3Å; L887-I915 HydrophobicContact CD1-CD1 4.3Å; I891-I915 HydrophobicContact CD1-CD1 3.32Å; I911-I915 HydrophobicContact CG2-CD1 3.58Å; I911-I915 HydrophobicContact CG2-CG1 4.45Å; I911-I915 WeakPolarHBondContact O-CD1 3.37Å; I911-I915 VanDerWaalsContact O-CG1 3.23Å; I911-I915 WeakPolarHBondContact O-CG1 3.43Å; I911-I915 PolarHBondContact O-N 3.11Å; I911-I915 VanDerWaalsContact O-N 3.11Å; K912-I915 PolarHBondContact O-N 3.37Å; K912-I915 VanDerWaalsContact O-N 3.14Å; N913-I915 VanDerWaalsContact C-N 3.3Å
916T65Low76Confident153 Ų15373.5 Ų73.594%0.93939%0.387SS*.  trans-78.30173.8540000111.9K912 N913K912-T916 WeakPolarHBondContact O-CG2 3.19Å; K912-T916 PolarHBondContact O-N 3.16Å; K912-T916 PolarHBondContact O-OG1 3.01Å; N913-T916 WeakPolarHBondContact CA-OG1 3.25Å; N913-T916 PolarHBondContact O-OG1 2.87Å

Retrieved 916 of 916 residues in 1157.2 ms (Link to these results)

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