A0A087YBF6_POEFO Loading...

Terminal nucleotidyltransferase 4A

Terminal nucleotidyltransferase that catalyzes preferentially the transfer of ATP and GTP on RNA 3' poly(A) tail creating a heterogeneous 3' poly(A) tail leading to mRNAs stabilization by protecting mRNAs from active deadenylation. Also functions as a catalytic subunit of a TRAMP-like complex which has a poly(A) RNA polymerase activity and is involved in a post-transcriptional quality control mechanism. Polyadenylation with short oligo(A) tails is required for the degradative activity of the exosome on several of its nuclear RNA substrates. Has no terminal uridylyltransferase activity, and does not play a role in replication-dependent histone mRNA degradation via uridylation.

AlphaFold DB , UniProt , Accession A0A087YBF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 678 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
1M47.4Very low53.6Low206 Ų206117.1 Ų117.1100%1.01556%0.556SS**  01480-66.7178.9178.600107.5P3M1-P3 WeakPolarHBondContact O-CD 3.44Å
2D50.7Low54.2Low39 Ų39115.3 Ų115.321%0.20955%0.547CS..  trans-73.6119.3170.8-170.7-32.9000109R4 I5 W24D2-R4 PolarHBondContact O-N 3.17Å; D2-R4 VanDerWaalsContact OD1-CB 3.24Å; D2-R4 WeakPolarHBondContact OD1-CB 3.33Å; D2-R4 WeakPolarHBondContact OD1-CG 3.42Å; D2-R4 IonicContact OD1-CZ 2.7Å; D2-R4 PolarHBondContact OD1-N 3.38Å; D2-R4 IonicContact OD1-NE 3.29Å; D2-R4 PolarHBondContact OD1-NE 3.32Å; D2-R4 IonicContact OD1-NH2 3.29Å; D2-R4 IonicContact OD2-CZ 2.74Å; D2-R4 IonicContact OD2-NE 3.42Å; D2-R4 PolarHBondContact OD2-NE 3.46Å; D2-R4 IonicContact OD2-NH2 3.31Å; D2-R4 PolarHBondContact OD2-NH2 3.17Å; D2-I5 HydrophobicContact CB-CD1 3.97Å; D2-I5 HydrophobicContact CB-CG1 4.08Å; D2-I5 PolarHBondContact O-N 3.46Å; D2-W24 HydrophobicContact CB-CZ2 4.43Å
3P50.3Low54.9Low8 Ų8119.8 Ų119.85%0.05256%0.555CS.*G310 helixtrans-67.5-15.6-177.629.6-35.8000113.1M1 I5 F8 M21 W24M1-P3 WeakPolarHBondContact O-CD 3.44Å; P3-I5 PolarHBondContact O-N 3.18Å; P3-F8 HydrophobicContact CB-CE2 4.39Å; P3-F8 HydrophobicContact CB-CZ 4.1Å; P3-F8 WeakPolarHBondContact O-CE2 3.1Å; P3-M21 HydrophobicContact CB-SD 3.56Å; P3-M21 VanDerWaalsContact CB-SD 3.56Å; P3-M21 HydrophobicContact CG-CE 4.5Å; P3-M21 HydrophobicContact CG-SD 3.44Å; P3-M21 WeakPolarHBondContact CG-SD 3.49Å; P3-W24 HydrophobicContact CG-CB 4.47Å; P3-W24 HydrophobicContact CG-CG 4.04Å
4R52.5Low56.1Low192 Ų192113.2 Ų113.273%0.72554%0.535SS*.G310 helixtrans-72.9-13.4177-57.5173.2-66.7178.23.9113.4D2D2-R4 PolarHBondContact O-N 3.17Å; D2-R4 VanDerWaalsContact OD1-CB 3.24Å; D2-R4 WeakPolarHBondContact OD1-CB 3.33Å; D2-R4 WeakPolarHBondContact OD1-CG 3.42Å; D2-R4 IonicContact OD1-CZ 2.7Å; D2-R4 PolarHBondContact OD1-N 3.38Å; D2-R4 IonicContact OD1-NE 3.29Å; D2-R4 PolarHBondContact OD1-NE 3.32Å; D2-R4 IonicContact OD1-NH2 3.29Å; D2-R4 IonicContact OD2-CZ 2.74Å; D2-R4 IonicContact OD2-NE 3.42Å; D2-R4 PolarHBondContact OD2-NE 3.46Å; D2-R4 IonicContact OD2-NH2 3.31Å; D2-R4 PolarHBondContact OD2-NH2 3.17Å
5I50.3Low56.7Low145 Ų145113.3 Ų113.374%0.74455%0.549SS*.G310 helixtrans-108.6-5.6-176-44.5-179.5000111.1D2 P3D2-I5 HydrophobicContact CB-CD1 3.97Å; D2-I5 HydrophobicContact CB-CG1 4.08Å; D2-I5 PolarHBondContact O-N 3.46Å; P3-I5 PolarHBondContact O-N 3.18Å
6A48.9Very low57.4Low44 Ų44111 Ų11136%0.36456%0.555SS.*  trans-93125.7178.700000111.8F8A6-F8 HydrophobicContact CB-CE1 4.08Å; A6-F8 HydrophobicContact CB-CE2 4.17Å; A6-F8 HydrophobicContact CB-CZ 3.81Å; A6-F8 WeakPolarHBondContact O-CD2 3.45Å; A6-F8 PolarHBondContact O-N 3.31Å
7W49.8Very low58.3Low238 Ų238106.1 Ų106.190%0.90253%0.53SS*.  trans-78.5101169.4-177.4-85.7000110.3
8F58Low58.9Low52 Ų52106.2 Ų106.223%0.22853%0.533CS..  trans-80.1135.8173.9-57.6-70.7000111.7P3 A6 Q12P3-F8 HydrophobicContact CB-CE2 4.39Å; P3-F8 HydrophobicContact CB-CZ 4.1Å; P3-F8 WeakPolarHBondContact O-CE2 3.1Å; A6-F8 HydrophobicContact CB-CE1 4.08Å; A6-F8 HydrophobicContact CB-CE2 4.17Å; A6-F8 HydrophobicContact CB-CZ 3.81Å; A6-F8 WeakPolarHBondContact O-CD2 3.45Å; A6-F8 PolarHBondContact O-N 3.31Å; F8-Q12 HydrophobicContact CB-CB 4.31Å
9Q61.1Low59.5Low115 Ų115105.8 Ų105.854%0.53753%0.533SS..  trans-66151.1168.1-64.5-176.8-49.400110.2E11 Q12Q9-E11 WeakPolarHBondContact CB-OE2 3.24Å; Q9-E11 PolarHBondContact O-N 2.93Å; Q9-E11 VanDerWaalsContact O-N 3.13Å; Q9-Q12 HydrophobicContact CB-CG 4.31Å; Q9-Q12 WeakPolarHBondContact O-CB 3.25Å; Q9-Q12 PolarHBondContact O-N 3.09Å
10P59.3Low59.6Low96 Ų96107.8 Ų107.862%0.62353%0.533SS*.G310 helixtrans-53.5-37.2-174.6-27.936000114.2Q12 R13P10-Q12 PolarHBondContact O-N 3.17Å; P10-R13 WeakPolarHBondContact O-CB 3.48Å; P10-R13 PolarHBondContact O-N 3.43Å
11E61.1Low60.1Low153 Ų153104.9 Ų104.972%0.71552%0.519SS*.G310 helixtrans-67-22.3-179.2-54.570.4-151.800112.2Q9 R13Q9-E11 WeakPolarHBondContact CB-OE2 3.24Å; Q9-E11 PolarHBondContact O-N 2.93Å; Q9-E11 VanDerWaalsContact O-N 3.13Å; E11-R13 VanDerWaalsContact C-N 3.31Å
12Q61.1Low60.9Low96 Ų96100.9 Ų100.945%0.44950%0.498SS..G310 helixtrans-84.6-2.5178.6-59.9174.7-26.400112.8F8 Q9 P10 G14 N17F8-Q12 HydrophobicContact CB-CB 4.31Å; Q9-Q12 HydrophobicContact CB-CG 4.31Å; Q9-Q12 WeakPolarHBondContact O-CB 3.25Å; Q9-Q12 PolarHBondContact O-N 3.09Å; P10-Q12 PolarHBondContact O-N 3.17Å; Q12-G14 PolarHBondContact O-N 3.2Å; Q12-G14 VanDerWaalsContact O-N 3.15Å; Q12-N17 WeakPolarHBondContact O-CB 3.02Å; Q12-N17 PolarHBondContact O-ND2 3.02Å
13R63.5Low61.8Low174 Ų174102.5 Ų102.566%0.65751%0.506SS*.  trans-86.543176.9-60.9-172.1175.7-152.7-2112.7P10 E11P10-R13 WeakPolarHBondContact O-CB 3.48Å; P10-R13 PolarHBondContact O-N 3.43Å; E11-R13 VanDerWaalsContact C-N 3.31Å
14G71.7Confident62.6Low27 Ų27105.5 Ų105.528%0.27852%0.516SS..SBendtrans-8617817700000113.9Q12 A16 N17Q12-G14 PolarHBondContact O-N 3.2Å; Q12-G14 VanDerWaalsContact O-N 3.15Å; G14-A16 PolarHBondContact O-N 3.38Å; G14-A16 VanDerWaalsContact O-N 3.1Å; G14-N17 VanDerWaalsContact O-CB 3.28Å; G14-N17 WeakPolarHBondContact O-CB 3.39Å; G14-N17 PolarHBondContact O-N 3.01Å
15P64.8Low63.2Low114 Ų114102 Ų10274%0.7451%0.508SS*.Hα-helixtrans-55.6-30.4180-27.135.6000114.6N17 N18 L19P15-N17 VanDerWaalsContact C-N 3.3Å; P15-N17 PolarHBondContact O-N 2.8Å; P15-N18 PolarHBondContact O-N 3.24Å; P15-L19 PolarHBondContact O-N 3.35Å
16A68.4Low63.6Low77 Ų7798.7 Ų98.764%0.63649%0.494SS*.Hα-helixtrans-65.1-30.417500000113.3G14 W20G14-A16 PolarHBondContact O-N 3.38Å; G14-A16 VanDerWaalsContact O-N 3.1Å; A16-W20 WeakPolarHBondContact O-CB 3.31Å; A16-W20 PolarHBondContact O-N 3.44Å
17N71.5Confident64.1Low27 Ų27100 Ų10014%0.14450%0.498CS..Hα-helixtrans-69.6-47175.5-166.4-52.3000110.3Q12 G14 P15 L19 W20 M21Q12-N17 WeakPolarHBondContact O-CB 3.02Å; Q12-N17 PolarHBondContact O-ND2 3.02Å; G14-N17 VanDerWaalsContact O-CB 3.28Å; G14-N17 WeakPolarHBondContact O-CB 3.39Å; G14-N17 PolarHBondContact O-N 3.01Å; P15-N17 VanDerWaalsContact C-N 3.3Å; P15-N17 PolarHBondContact O-N 2.8Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.34Å; N17-W20 PolarHBondContact O-N 2.72Å; N17-W20 VanDerWaalsContact O-N 3.11Å; N17-M21 WeakPolarHBondContact O-CG 3.48Å; N17-M21 PolarHBondContact O-N 2.76Å
18N68.9Low64.4Low109 Ų10994 Ų9458%0.58348%0.48SS*.Hα-helixtrans-59.4-43.4175.4-63.2-9.3000111.6P15 M21 Q22P15-N18 PolarHBondContact O-N 3.24Å; N18-M21 PolarHBondContact O-N 2.67Å; N18-Q22 WeakPolarHBondContact O-CB 3.23Å; N18-Q22 PolarHBondContact O-N 3.37Å
19L70.3Confident63.9Low99 Ų9993.5 Ų93.552%0.51849%0.489SS..Hα-helixtrans-62.7-41.2174.8-179.761.3000111.9P15 N17 Q22 I23P15-L19 PolarHBondContact O-N 3.35Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.34Å; L19-Q22 PolarHBondContact O-N 3.05Å; L19-I23 HydrophobicContact CD1-CD1 4.05Å; L19-I23 HydrophobicContact CD1-CG1 4.34Å; L19-I23 HydrophobicContact CG-CD1 3.89Å; L19-I23 WeakPolarHBondContact O-CB 3.33Å; L19-I23 VanDerWaalsContact O-CG1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.24Å; L19-I23 PolarHBondContact O-N 3.15Å
20W62.5Low63Low144 Ų14493.1 Ų93.155%0.54549%0.491SS..Hα-helixtrans-67.2-41.6178.1-174.8-112.3000112.8A16 N17 I23 W24A16-W20 WeakPolarHBondContact O-CB 3.31Å; A16-W20 PolarHBondContact O-N 3.44Å; N17-W20 PolarHBondContact O-N 2.72Å; N17-W20 VanDerWaalsContact O-N 3.11Å; W20-I23 HydrophobicContact CZ3-CG2 4.49Å; W20-I23 PolarHBondContact O-N 3.28Å; W20-W24 WeakPolarHBondContact O-CB 3.3Å; W20-W24 PolarHBondContact O-N 3.1Å
21M70.4Confident62Low47 Ų4791.3 Ų91.323%0.23249%0.49CS..Hα-helixtrans-56.7-48.5170.2-74.5-67.8-61.400111.1P3 N17 N18 I23 W24 E25P3-M21 HydrophobicContact CB-SD 3.56Å; P3-M21 VanDerWaalsContact CB-SD 3.56Å; P3-M21 HydrophobicContact CG-CE 4.5Å; P3-M21 HydrophobicContact CG-SD 3.44Å; P3-M21 WeakPolarHBondContact CG-SD 3.49Å; N17-M21 WeakPolarHBondContact O-CG 3.48Å; N17-M21 PolarHBondContact O-N 2.76Å; N18-M21 PolarHBondContact O-N 2.67Å; M21-I23 PolarHBondContact O-N 3.28Å; M21-W24 WeakPolarHBondContact O-CB 3.42Å; M21-W24 PolarHBondContact O-N 3.5Å; M21-W24 VanDerWaalsContact O-N 3.15Å; M21-E25 WeakPolarHBondContact O-CG 3.21Å; M21-E25 PolarHBondContact O-N 3.01Å
22Q64.6Low60.9Low123 Ų12393.8 Ų93.858%0.57549%0.494SS*.Hα-helixtrans-67.3-34.5-178.4-163.6172.621.300112.6N18 L19 T26N18-Q22 WeakPolarHBondContact O-CB 3.23Å; N18-Q22 PolarHBondContact O-N 3.37Å; L19-Q22 PolarHBondContact O-N 3.05Å; Q22-T26 WeakPolarHBondContact O-CB 3.28Å; Q22-T26 WeakPolarHBondContact O-CG2 3.41Å; Q22-T26 PolarHBondContact O-N 3.23Å; Q22-T26 PolarHBondContact O-OG1 3.49Å
23I68.6Low59.5Low73 Ų7395.1 Ų95.137%0.37450%0.503SS..Hα-helixtrans-67-40.4171.1-72.2167000111.1L19 W20 M21 T26 T27L19-I23 HydrophobicContact CD1-CD1 4.05Å; L19-I23 HydrophobicContact CD1-CG1 4.34Å; L19-I23 HydrophobicContact CG-CD1 3.89Å; L19-I23 WeakPolarHBondContact O-CB 3.33Å; L19-I23 VanDerWaalsContact O-CG1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.24Å; L19-I23 PolarHBondContact O-N 3.15Å; W20-I23 HydrophobicContact CZ3-CG2 4.49Å; W20-I23 PolarHBondContact O-N 3.28Å; M21-I23 PolarHBondContact O-N 3.28Å; I23-T26 WeakPolarHBondContact CA-OG1 3.36Å; I23-T26 PolarHBondContact O-OG1 3.23Å; I23-T27 PolarHBondContact O-N 2.84Å; I23-T27 PolarHBondContact O-OG1 3Å
24W67Low58Low71 Ų7195.1 Ų95.127%0.26951%0.511SS..Hα-helixtrans-65.3-48.6176.8-178.9-104.4000111.7D2 P3 W20 M21 T26 T27 Q28D2-W24 HydrophobicContact CB-CZ2 4.43Å; P3-W24 HydrophobicContact CG-CB 4.47Å; P3-W24 HydrophobicContact CG-CG 4.04Å; W20-W24 WeakPolarHBondContact O-CB 3.3Å; W20-W24 PolarHBondContact O-N 3.1Å; M21-W24 WeakPolarHBondContact O-CB 3.42Å; M21-W24 PolarHBondContact O-N 3.5Å; M21-W24 VanDerWaalsContact O-N 3.15Å; W24-T26 PolarHBondContact O-N 3.06Å; W24-T27 WeakPolarHBondContact CA-OG1 3.36Å; W24-T27 PolarHBondContact O-N 2.84Å; W24-T27 PolarHBondContact O-OG1 2.85Å; W24-Q28 WeakPolarHBondContact O-CG 3.4Å; W24-Q28 PolarHBondContact O-N 2.89Å; W24-Q28 VanDerWaalsContact O-N 3.08Å
25E64.7Low56.2Low117 Ų11799.5 Ų99.555%0.54753%0.532SS..Hα-helixtrans-61.3-41.9177.6-71.5169.717800112.2M21 Q28 G29M21-E25 WeakPolarHBondContact O-CG 3.21Å; M21-E25 PolarHBondContact O-N 3.01Å; E25-Q28 PolarHBondContact O-N 3.41Å; E25-G29 PolarHBondContact O-N 3.29Å; E25-G29 VanDerWaalsContact O-N 3.14Å
26T60.4Low54.5Low76 Ų76101.4 Ų101.447%0.46654%0.536SS..Hα-helixtrans-71.3-29.8176.750.40000113.4Q22 I23 W24 G29 L30Q22-T26 WeakPolarHBondContact O-CB 3.28Å; Q22-T26 WeakPolarHBondContact O-CG2 3.41Å; Q22-T26 PolarHBondContact O-N 3.23Å; Q22-T26 PolarHBondContact O-OG1 3.49Å; I23-T26 WeakPolarHBondContact CA-OG1 3.36Å; I23-T26 PolarHBondContact O-OG1 3.23Å; W24-T26 PolarHBondContact O-N 3.06Å; T26-G29 PolarHBondContact O-N 2.96Å; T26-L30 WeakPolarHBondContact O-CB 3.41Å; T26-L30 WeakPolarHBondContact O-CG 3.46Å; T26-L30 PolarHBondContact O-N 2.9Å
27T57.7Low52.8Low73 Ų73103.2 Ų103.245%0.44854%0.543SS..Hα-helixtrans-71.6-31.7172.236.90000113.1I23 W24 G31I23-T27 PolarHBondContact O-N 2.84Å; I23-T27 PolarHBondContact O-OG1 3Å; W24-T27 WeakPolarHBondContact CA-OG1 3.36Å; W24-T27 PolarHBondContact O-N 2.84Å; W24-T27 PolarHBondContact O-OG1 2.85Å; T27-G31 PolarHBondContact O-N 2.92Å
28Q56.3Low50.7Low111 Ų111106.4 Ų106.452%0.51957%0.568SS.*Hα-helixtrans-64.7-41.4169.1-60.9-54.4-45.800111.5W24 E25W24-Q28 WeakPolarHBondContact O-CG 3.4Å; W24-Q28 PolarHBondContact O-N 2.89Å; W24-Q28 VanDerWaalsContact O-N 3.08Å; E25-Q28 PolarHBondContact O-N 3.41Å
29G47.8Very low48.8Very low41 Ų41111.5 Ų111.542%0.42358%0.58SS.*Hα-helixtrans-66.5-38.1176.400000114.2E25 T26 G31 Y32E25-G29 PolarHBondContact O-N 3.29Å; E25-G29 VanDerWaalsContact O-N 3.14Å; T26-G29 PolarHBondContact O-N 2.96Å; G29-G31 VanDerWaalsContact C-N 3.29Å; G29-G31 PolarHBondContact O-N 2.91Å; G29-Y32 PolarHBondContact O-N 3.2Å
30L42.9Very low46.7Very low108 Ų108112.9 Ų112.957%0.56560%0.598SS**Hα-helixtrans-67.4-25.7-179.1-81.7164.3000113.8T26 Y32 L33T26-L30 WeakPolarHBondContact O-CB 3.41Å; T26-L30 WeakPolarHBondContact O-CG 3.46Å; T26-L30 PolarHBondContact O-N 2.9Å; L30-Y32 PolarHBondContact O-N 3.14Å; L30-L33 PolarHBondContact O-N 3.18Å; L30-L33 VanDerWaalsContact O-N 3.11Å
31G37.8Very low45Very low58 Ų58113 Ų11360%0.59862%0.615SS**THydrogen-bonded Turntrans-57.4-28.8176.100000114T27 G29T27-G31 PolarHBondContact O-N 2.92Å; G29-G31 VanDerWaalsContact C-N 3.29Å; G29-G31 PolarHBondContact O-N 2.91Å
32Y37.9Very low42.8Very low204 Ų204114.5 Ų114.580%0.864%0.643SS**THydrogen-bonded Turntrans-86.2-14.7178.8-82.4-87.3000114.6G29 L30G29-Y32 PolarHBondContact O-N 3.2Å; L30-Y32 PolarHBondContact O-N 3.14Å
33L32Very low40.9Very low124 Ų124114.6 Ų114.665%0.64966%0.657SS**THydrogen-bonded Turntrans-96.4-20.1-172-75.9168.6000114.5L30 V35L30-L33 PolarHBondContact O-N 3.18Å; L30-L33 VanDerWaalsContact O-N 3.11Å; L33-V35 PolarHBondContact O-N 3.35Å
34H31.5Very low39.1Very low175 Ų175119.6 Ų119.681%0.8168%0.679SS**THydrogen-bonded Turntrans-77.91.3-178.5-153.5-66.3000114.3
35V34.4Very low37.1Very low119 Ų119122 Ų12272%0.72171%0.706SS**THydrogen-bonded Turntrans-91-29.8176.9-175.50000112.3L33 S37L33-V35 PolarHBondContact O-N 3.35Å; V35-S37 PolarHBondContact O-N 3.16Å
36N29.7Very low35.3Very low154 Ų154122.4 Ų122.482%0.82472%0.717SS**SBendtrans-104.152.2-173.8-81.1-13.6000113.5
37S31.1Very low33.7Very low114 Ų114124.7 Ų124.780%0.79773%0.733SS**  trans-127.961.5173-146.40000113.4V35V35-S37 PolarHBondContact O-N 3.16Å
38S28.9Very low32.1Very low94 Ų94126 Ų12666%0.65775%0.745SS**SBendtrans-147.2136.4153.360.90000110.6
39Y28Very low30.6Very low217 Ų217127.4 Ų127.485%0.85176%0.755SS**  trans63.599.1178.1-53.9-76.4000118.6
40S26.7Very low29.6Very low127 Ų127134.4 Ų134.489%0.88877%0.774SS**  trans-160.3100.3133.5-85.90000111
41T26.5Very low29Very low148 Ų148134.9 Ų134.991%0.90878%0.783SS**  trans-97.894.4175480000111.3
42G24.7Very low28.4Very low78 Ų78140.3 Ų140.380%0.80480%0.797SS**  trans67.5125.5147.900000120.4
43S25.1Very low27.8Very low125 Ų125136 Ų13687%0.87479%0.792SS**  -159.8155.4121.8-165.60000110.2
44Q29.4Very low27.5Very low178 Ų178137.1 Ų137.183%0.83280%0.799SS**  trans-107.1147175.7-68.1-177-5.300111.3
45S24.9Very low27.3Very low120 Ų120136.1 Ų136.184%0.83980%0.799SS**  trans-152.3115.7149.6530000110.9
46T26.6Very low26.9Very low126 Ų126133.4 Ų133.477%0.77380%0.795SS**  trans-83.7160.6173.654.10000111.2
47P28.1Very low26.8Very low125 Ų125130.6 Ų130.681%0.81279%0.794SS**  -135168.4100.331.9-18.1000115.4
48S23.7Very low26.7Very low99 Ų99131.5 Ų131.569%0.69280%0.8SS**  trans-69.6165.3-179.752.10000113.7
49L25.2Very low26.5Very low142 Ų142130.2 Ų130.274%0.74380%0.801SS**  -159.4140.154.7-79.4162.7000115.6
50K26.7Very low26.4Very low187 Ų187124.8 Ų124.881%0.81380%0.801SS**  trans56132.5143.6-64.3-177.4177.9-177.90121.5
51P29.9Very low26.4Very low118 Ų118124.4 Ų124.477%0.76679%0.793SS**  trans-90.8165.6167.738.3-35000113.1
52I25.2Very low26.4Very low172 Ų172124.5 Ų124.588%0.88279%0.788SS**  trans-129.5145.4161.2-67.6-178.7000108.4
53V26.3Very low26.4Very low115 Ų115126.9 Ų126.970%0.69779%0.786SS**  trans-115.5133-176.6174.50000110.1
54N25.6Very low26.4Very low147 Ų147126.3 Ų126.379%0.78678%0.781SS**  trans-174.5139.8138.7-88.7-30.2000108.2
55N26.5Very low26.2Very low153 Ų153129 Ų12982%0.81878%0.784SS**  cis96.7132.227.1-162.626.5000112.9
56G26.2Very low26.3Very low62 Ų62130.3 Ų130.364%0.63978%0.781SS**  trans93118-167.900000112.5
57A26.8Very low26.3Very low96 Ų96127.5 Ų127.579%0.79378%0.777SS**  cis98.4125.119.800000115.2
58S28.8Very low26.2Very low133 Ų133127.4 Ų127.493%0.9378%0.775SS**  trans63.8148.5176.3-58.50000116.6
59G25.3Very low26.4Very low66 Ų66129.7 Ų129.768%0.6878%0.778SS**  cis151.5163.6-5.100000111.9
60A26.8Very low26.4Very low103 Ų103129.5 Ų129.585%0.85178%0.778SS**  trans64.6166.5171.300000117.8
61V25.9Very low26.5Very low120 Ų120125 Ų12573%0.72777%0.77SS**  cis-165.5150.8-46.682.60000109.1
62L26Very low26.4Very low150 Ų150127.4 Ų127.479%0.78577%0.771SS**  trans62.2170.4170.5-61.2171000115.4
63T24.9Very low26.5Very low127 Ų127126.9 Ų126.978%0.77977%0.77SS**  cis-144.5157.35.2-27.60000111.3
64C25.1Very low26.5Very low114 Ų114125 Ų12577%0.7777%0.774SS**  trans-81151.6171.4-36.90000112.4
65R26.3Very low26.4Very low235 Ų235122.2 Ų122.289%0.88778%0.779SS**  -166152.5128-121.2177.4170.7166.5-3.7117.7
66N26.8Very low26.4Very low146 Ų146118.5 Ų118.578%0.78178%0.778SS**  trans-52.2163.4178.6-40.1-2.7000117.2
67G25.3Very low26.4Very low67 Ų67123.3 Ų123.369%0.69179%0.789SS**  trans157.175.8158.100000113.5
68T26.9Very low26.4Very low123 Ų123125.5 Ų125.576%0.75579%0.792SS**  79.8113.679.859.70000117.3
69L27.9Very low26.2Very low147 Ų147127.8 Ų127.877%0.7779%0.785SS**  trans78.5145140.9-78.6154.3000122.7
70D25.6Very low26.2Very low138 Ų138130.5 Ų130.574%0.73879%0.788SS**  trans64.7134.5150.3-63.2-29.6000121.8
71S28.4Very low26.2Very low92 Ų92135 Ų13564%0.64379%0.792SS**  cis179.9177-0.3-172.10000110.1
72H27Very low25.9Very low169 Ų169133 Ų13378%0.78280%0.796SS**  trans41.896.5161.9-72.9-58.9000123.3
73N28.4Very low25.7Very low162 Ų162134.4 Ų134.487%0.86680%0.8SS**  41.4129104.9-162.138.5000121.7
74G26.4Very low25.6Very low75 Ų75133.2 Ų133.277%0.77380%0.797SS**  trans111.7139.5167.600000113.7
75G23.7Very low25.5Very low88 Ų88135 Ų13591%0.90781%0.805SS**  cis143.4104.8-5.400000112.4
76G25.1Very low25.4Very low76 Ų76129.3 Ų129.378%0.78480%0.801SS**  trans157.1139.6175.100000114.5
77D26.2Very low25.2Very low162 Ų162127.1 Ų127.187%0.86680%0.803SS**  trans-69.6161.9-176.3-57.3-93.8000115.6
78V26.7Very low25.4Very low142 Ų142127.7 Ų127.786%0.86181%0.809SS**  -173.8140.1116.8144.20000114.4
79K26.6Very low25.2Very low182 Ų182128.7 Ų128.779%0.79182%0.815SS**  trans-21.9129.6173.2-68.8175.2173.4174.60122.9
80T25.1Very low25.1Very low122 Ų122125 Ų12575%0.74881%0.811SS**  69135.8127.460.40000125.2
81Q25Very low24.9Very low198 Ų198127.4 Ų127.493%0.92582%0.818SS**  trans75125.8151.5-73.8177.7-13.700120.1
82G21.1Very low24.7Very low78 Ų78131.7 Ų131.780%0.80483%0.831SS**  trans155.553.3164.800000120.6
83M21.4Very low24.7Very low180 Ų180130 Ų13089%0.88783%0.832SS**  trans33.2125.4155.2-74.2166.258.800123
84S23.3Very low24.7Very low101 Ų101129.1 Ų129.171%0.70682%0.823SS**  trans73113.5139.3-560000121.9
85T22.3Very low24.8Very low152 Ų152134.2 Ų134.293%0.93383%0.826SS**  -176.6179.7113.825.60000111.7
86S23.7Very low25Very low115 Ų115139.6 Ų139.680%0.80482%0.82SS**  trans-106.8133.3-157.955.80000116.8
87A23.3Very low25.7Very low101 Ų101140.6 Ų140.684%0.83581%0.807SS**  trans-173.2143.4138.100000108.3
88G28.6Very low26.4Very low78 Ų78139.3 Ų139.380%0.80479%0.794SS**  cis128.455.17.900000111.5
89V23.5Very low26.9Very low145 Ų145137.9 Ų137.988%0.87978%0.78SS**  trans-137.9127-170.7-177.60000111.8
90G24.8Very low27Very low68 Ų68133.8 Ų133.870%0.70177%0.772SS**  trans63.174148.100000118.1M92G90-M92 PolarHBondContact O-N 3.18Å
91E23.3Very low27.6Very low190 Ų190132.1 Ų132.189%0.88876%0.758SS**  trans-65.298.6161.6-175175.6-163.300109.7T93E91-T93 PolarHBondContact O-N 3.11Å
92M23.8Very low27.9Very low182 Ų182129 Ų12990%0.89775%0.748SS**  trans-71.9119.6167.3-86.1-164.6168.600109G90 E94G90-M92 PolarHBondContact O-N 3.18Å; M92-E94 PolarHBondContact O-N 3.06Å; M92-E94 VanDerWaalsContact O-N 3.13Å
93T26.1Very low28.4Very low134 Ų134131.1 Ų131.182%0.82275%0.745SS**  trans-63.4112.1-178.749.70000111.5E91 Q95E91-T93 PolarHBondContact O-N 3.11Å; T93-Q95 PolarHBondContact O-N 3.37Å
94E28.8Very low28.9Very low142 Ų142129.7 Ų129.766%0.66474%0.741SS**  trans-56.4131.4175-55.5174.212700111.6M92 R96M92-E94 PolarHBondContact O-N 3.06Å; M92-E94 VanDerWaalsContact O-N 3.13Å; E94-R96 HydrophobicContact CB-CG 4.48Å; E94-R96 PolarHBondContact O-N 2.82Å; E94-R96 VanDerWaalsContact O-N 3.15Å; E94-R96 IonicContact OE2-CZ 2.76Å; E94-R96 IonicContact OE2-NE 2.67Å; E94-R96 IonicContact OE2-NH2 3.15Å; E94-R96 PolarHBondContact OE2-NH2 3.48Å
95Q28.6Very low29.2Very low182 Ų182130 Ų13085%0.8574%0.744SS**  trans-79.3100171.8-172.6159.7-34.300109.7T93 D97T93-Q95 PolarHBondContact O-N 3.37Å; Q95-D97 PolarHBondContact O-N 3.03Å
96R28.7Very low29.6Very low202 Ų202128.6 Ų128.676%0.76273%0.731SS**  trans-80.9101.7-173.9-68.2-177.7175.8167.72.7112.2E94 F98E94-R96 HydrophobicContact CB-CG 4.48Å; E94-R96 PolarHBondContact O-N 2.82Å; E94-R96 VanDerWaalsContact O-N 3.15Å; E94-R96 IonicContact OE2-CZ 2.76Å; E94-R96 IonicContact OE2-NE 2.67Å; E94-R96 IonicContact OE2-NH2 3.15Å; E94-R96 PolarHBondContact OE2-NH2 3.48Å; R96-F98 PolarHBondContact O-N 3.41Å
97D39.6Very low30Very low97 Ų97131.7 Ų131.752%0.51973%0.732SS.*  trans-69.365.6172.6-79.7-20.5000113.3Q95Q95-D97 PolarHBondContact O-N 3.03Å
98F41.1Very low30.3Very low134 Ų134134.1 Ų134.159%0.58873%0.731SS**  trans-159.5141.4156-140.7-113.6000113R96 P100 F151R96-F98 PolarHBondContact O-N 3.41Å; F98-P100 WeakPolarHBondContact O-CD 3.26Å; F98-F151 HydrophobicContact CE1-CE2 4.45Å; F98-F151 HydrophobicContact CZ-CD2 4.43Å; F98-F151 HydrophobicContact CZ-CE2 4.39Å
99I36.6Very low30.3Very low112 Ų112138.6 Ų138.657%0.57474%0.736SS**  trans-86115.9155.7-61.7174.7000106.4L101I99-L101 HydrophobicContact CG2-CD2 4.09Å; I99-L101 PolarHBondContact O-N 3.37Å
100P29.4Very low30.5Very low97 Ų97143.1 Ų143.163%0.6374%0.738SS**  trans-64.996.8173.5-19.533.6000110.1F98 D102F98-P100 WeakPolarHBondContact O-CD 3.26Å; P100-D102 VanDerWaalsContact C-N 3.26Å; P100-D102 PolarHBondContact O-N 3.02Å
101L37.8Very low30.6Very low87 Ų87145.3 Ų145.346%0.45575%0.749SS.*  trans-77.681.2171.3-67.3-178.9000108.9I99 T103I99-L101 HydrophobicContact CG2-CD2 4.09Å; I99-L101 PolarHBondContact O-N 3.37Å; L101-T103 PolarHBondContact O-N 3.23Å
102D30.1Very low30.9Very low132 Ų132141 Ų14171%0.70675%0.745SS**  trans-58.5107.6175.9-80-39.4000110.7P100 N104P100-D102 VanDerWaalsContact C-N 3.26Å; P100-D102 PolarHBondContact O-N 3.02Å; D102-N104 PolarHBondContact O-N 2.81Å
103T32.9Very low31Very low122 Ų122136 Ų13675%0.74874%0.742SS**G310 helixtrans-72.2-0.1-175.451.60000114L101L101-T103 PolarHBondContact O-N 3.23Å
104N30.5Very low31.1Very low150 Ų150142.1 Ų142.180%0.80275%0.749SS**G310 helixtrans-89.6-7.7-164.1-132.311.9000114.9D102 N106D102-N104 PolarHBondContact O-N 2.81Å; N104-N106 VanDerWaalsContact C-N 3.29Å; N104-N106 PolarHBondContact O-N 2.92Å
105S29.8Very low30.9Very low109 Ų109139 Ų13976%0.76276%0.756SS**G310 helixtrans-77.7-5.9-176.1-60.80000114.9H107S105-H107 VanDerWaalsContact C-N 3.28Å; S105-H107 PolarHBondContact O-N 3.03Å
106N30.7Very low30.8Very low122 Ų122134.3 Ų134.365%0.65276%0.756SS**  trans-89.124.9-168.4-138.97.6000114.8N104N104-N106 VanDerWaalsContact C-N 3.29Å; N104-N106 PolarHBondContact O-N 2.92Å
107H31.6Very low30.8Very low179 Ų179132.1 Ų132.183%0.82977%0.765SS**SBendtrans-128.650.6177.4-90.917.8000112.5S105S105-H107 VanDerWaalsContact C-N 3.28Å; S105-H107 PolarHBondContact O-N 3.03Å
108N30.3Very low30Very low152 Ų152131.2 Ų131.281%0.81378%0.778SS**  trans-156.673.7158.5-103.1-33.4000112.7
109N28.5Very low29.2Very low172 Ų172128.9 Ų128.992%0.9279%0.792SS**  trans-154.358.8160.8-108-34.8000112.4
110R28.4Very low28.6Very low241 Ų241127.7 Ų127.791%0.90981%0.807SS**  trans-120.5124.7156.5-92.3-174168.5179.7-3108.2A112R110-A112 PolarHBondContact O-N 2.84Å
111A27.3Very low28.3Very low114 Ų114126.8 Ų126.894%0.94282%0.816SS**  trans-67.4130.2177.500000110.7
112A28.2Very low27.8Very low98 Ų98132.2 Ų132.281%0.8184%0.839SS**  trans-130.6145.6170.900000109.5R110R110-A112 PolarHBondContact O-N 2.84Å
113G25.5Very low27.6Very low79 Ų79135.5 Ų135.581%0.81485%0.85SS**  trans-76166.7-174.700000114.5
114R28.8Very low27.1Very low261 Ų261133.2 Ų133.299%0.98585%0.851SS**  trans-58145.4174-66.1174.1166.1-167.9-5112.4
115G25.9Very low26.8Very low78 Ų78131.5 Ų131.580%0.80485%0.851SS**  trans172.9120.215500000117.2
116G26.1Very low26.4Very low82 Ų82130.2 Ų130.285%0.84585%0.854SS**  trans90.2140.3147.400000118.3
117V27Very low26Very low157 Ų157130.5 Ų130.595%0.95286%0.86SS**  trans-120.7139.4167.9174.70000107.9
118G24.6Very low25.7Very low78 Ų78126.8 Ų126.880%0.80486%0.861SS**  trans-165130.517100000109.6
119G23.7Very low25.3Very low85 Ų85124.5 Ų124.588%0.87685%0.852SS**  trans-128.4163.1-17500000112.8
120G24.7Very low25.1Very low86 Ų86124.4 Ų124.489%0.88785%0.851SS**  trans163.7126.9177.900000109.3
121G23.1Very low24.9Very low79 Ų79124.4 Ų124.481%0.81485%0.851SS**  trans-133.5153.1-177.800000111.8
122Q26.5Very low24.7Very low201 Ų201130.3 Ų130.394%0.93985%0.849SS**  trans-148.5147.7168.3-119.1174-1.400110.2
123Q25Very low24.3Very low200 Ų200129 Ų12994%0.93584%0.844SS**  trans-93.4153.5-178-66.5171.6-22.900110.9
124G23.6Very low24.7Very low75 Ų75133.4 Ų133.477%0.77385%0.849SS**  trans-154.367.4-175.900000114.3
125S24Very low24.6Very low114 Ų114127.3 Ų127.380%0.79784%0.84SS**  trans33.6100.3161.3-159.70000118.7
126G21Very low25Very low81 Ų81130.9 Ų130.984%0.83584%0.841SS**PPolyproline II helixtrans-82.2123.5163.900000111.7
127V22.9Very low25Very low128 Ų128130.5 Ų130.578%0.77684%0.837SS**PPolyproline II helixtrans-92.3123.6166.4178.30000108.5
128A24.6Very low25.1Very low102 Ų102132 Ų13284%0.84383%0.834SS**PPolyproline II helixtrans-74128179.500000111.4
129V22.9Very low25.6Very low104 Ų104133 Ų13363%0.6383%0.825SS**  trans-124.9121.2167-178.90000108.3W131V129-W131 PolarHBondContact O-N 2.95Å
130L24.3Very low26.2Very low170 Ų170134.7 Ų134.789%0.8982%0.815SS**  trans-73.8109.4179.4-78.2152.9000110.4R132L130-R132 PolarHBondContact O-N 2.79Å
131W23.6Very low26.8Very low240 Ų240139.2 Ų139.291%0.90981%0.81SS**  trans-81.297172.8-74.7101000111.3V129V129-W131 PolarHBondContact O-N 2.95Å
132R22.3Very low27.8Very low239 Ų239144.2 Ų144.290%0.90280%0.804SS**  trans-97.5125.2166.5173.4-160.4-71.7-109.32.7108.5L130L130-R132 PolarHBondContact O-N 2.79Å
133G21.1Very low28.8Very low70 Ų70138.2 Ų138.272%0.72278%0.775SS**SBendtrans120.5155.1162.200000115.3
134L34.1Very low30Very low172 Ų172139.2 Ų139.290%0.90177%0.77SS**  trans-70138.4175.7-77.453.2000110.9
135T26Very low32Very low133 Ų133140.7 Ų140.782%0.81676%0.76SS**  trans-159.6145.1132.824.60000111.7G137T135-G137 PolarHBondContact O-N 3.17Å
136D33.7Very low34.6Very low153 Ų153136.4 Ų136.482%0.81873%0.728SS**  trans2.598162.6-54.1-48.1000119.8H138D136-H138 PolarHBondContact O-N 3.33Å
137G27Very low37.5Very low74 Ų74135.2 Ų135.276%0.76370%0.7SS**  trans-76.7105.2156.900000110.9T135 P139T135-G137 PolarHBondContact O-N 3.17Å; G137-P139 WeakPolarHBondContact O-CD 3.4Å
138H29Very low40.2Very low189 Ų189129.2 Ų129.288%0.87566%0.664SS**  trans-55.5115.6-178-124.6-55000112.2D136D136-H138 PolarHBondContact O-N 3.33Å
139P35Very low43Very low97 Ų97125.2 Ų125.263%0.6363%0.63SS**  trans-71.4152.1177.128.8-34.2000111.3G137 K141G137-P139 WeakPolarHBondContact O-CD 3.4Å; P139-K141 PolarHBondContact O-N 3.46Å; P139-K141 VanDerWaalsContact O-N 3.12Å
140N36.4Very low45.6Very low122 Ų122121.7 Ų121.765%0.65261%0.608SS**  trans-56.1113-171-132.5-30000111.8R142 K143N140-R142 VanDerWaalsContact C-N 3.3Å; N140-R142 PolarHBondContact O-N 3.34Å; N140-R142 VanDerWaalsContact O-N 3.08Å; N140-K143 VanDerWaalsContact O-CB 3.32Å; N140-K143 WeakPolarHBondContact O-CB 3.3Å; N140-K143 PolarHBondContact O-N 2.98Å
141K36.5Very low47.8Very low181 Ų181119.3 Ų119.379%0.78759%0.591SS**G310 helixtrans-52.8-40.9-162.5-163.9172.9-176.3177.90114.3P139 K143 R144P139-K141 PolarHBondContact O-N 3.46Å; P139-K141 VanDerWaalsContact O-N 3.12Å; K141-K143 PolarHBondContact O-N 3.45Å; K141-K143 VanDerWaalsContact O-N 3.13Å; K141-R144 PolarHBondContact O-N 3.35Å
142R45.1Very low49.5Very low184 Ų184109.7 Ų109.769%0.69457%0.566SS**G310 helixtrans-55.7-28.3176.8-69.2-177.5179.7170.5-0.1114.2N140 R144 D145N140-R142 VanDerWaalsContact C-N 3.3Å; N140-R142 PolarHBondContact O-N 3.34Å; N140-R142 VanDerWaalsContact O-N 3.08Å; R142-R144 PolarHBondContact O-N 3.08Å; R142-D145 WeakPolarHBondContact CA-OD2 3.44Å; R142-D145 WeakPolarHBondContact O-CB 3.48Å; R142-D145 PolarHBondContact O-N 3.12Å; R142-D145 VanDerWaalsContact O-N 3.08Å
143K46.1Very low51.3Low74 Ų7499.8 Ų99.832%0.32253%0.53SS..G310 helixtrans-76-5.6-174.7-144.4169.2-163.8175.40113.8N140 K141 F151N140-K143 VanDerWaalsContact O-CB 3.32Å; N140-K143 WeakPolarHBondContact O-CB 3.3Å; N140-K143 PolarHBondContact O-N 2.98Å; K141-K143 PolarHBondContact O-N 3.45Å; K141-K143 VanDerWaalsContact O-N 3.13Å; K143-F151 HydrophobicContact CD-CB 4.33Å; K143-F151 HydrophobicContact CD-CD1 3.76Å; K143-F151 HydrophobicContact CD-CE1 4.25Å; K143-F151 HydrophobicContact CD-CG 4.07Å; K143-F151 VanDerWaalsContact NZ-CE2 3.29Å
144R51.1Low52.8Low222 Ų22299.3 Ų99.384%0.83851%0.511SS*.G310 helixtrans-93.3-12.6167.3-95.7-173.3165.9-145.9-2.8113.7K141 R142 N146K141-R144 PolarHBondContact O-N 3.35Å; R142-R144 PolarHBondContact O-N 3.08Å; R144-N146 VanDerWaalsContact C-N 3.29Å; R144-N146 PolarHBondContact O-N 3.22Å
145D64.9Low53.4Low106 Ų10695.1 Ų95.157%0.56750%0.496SS*.SBendtrans-81.4-11.3-175.4-56.1-27.9000112.9R142 K299R142-D145 WeakPolarHBondContact CA-OD2 3.44Å; R142-D145 WeakPolarHBondContact O-CB 3.48Å; R142-D145 PolarHBondContact O-N 3.12Å; R142-D145 VanDerWaalsContact O-N 3.08Å; D145-K299 PolarHBondContact O-NZ 3.26Å
146N79.9Confident54.3Low23 Ų2391.9 Ų91.912%0.12348%0.478CS..  trans-108.794176.2-179.95.8000110.5R144 A148 S149 L338 D341R144-N146 VanDerWaalsContact C-N 3.29Å; R144-N146 PolarHBondContact O-N 3.22Å; N146-A148 PolarHBondContact O-N 2.95Å; N146-A148 PolarHBondContact OD1-N 3.21Å; N146-A148 VanDerWaalsContact OD1-N 3.08Å; N146-S149 VanDerWaalsContact O-CB 3.32Å; N146-S149 WeakPolarHBondContact O-CB 3.46Å; N146-S149 PolarHBondContact O-N 3.33Å; N146-L338 PolarHBondContact ND2-O 3.22Å; N146-D341 PolarHBondContact ND2-OD1 2.88Å
147K80.9Confident54.9Low57 Ų5788.2 Ų88.225%0.24846%0.458CS..THydrogen-bonded Turntrans-53.7-25.6176.6-60.5-173174.5-118.20113.7T244 E297 T486 E488 V489K147-T244 HydrophobicContact CB-CG2 4.43Å; K147-E297 WeakPolarHBondContact CE-OE2 3.44Å; K147-E297 IonicContact NZ-OE2 4Å; K147-E297 PolarHBondContact NZ-OE2 2.75Å; K147-T486 WeakPolarHBondContact O-CB 3.46Å; K147-T486 WeakPolarHBondContact O-CG2 3.39Å; K147-T486 PolarHBondContact O-OG1 2.84Å; K147-E488 HydrophobicContact CD-CG 4.18Å; K147-E488 VanDerWaalsContact CD-OE1 3.3Å; K147-E488 WeakPolarHBondContact CD-OE1 3.47Å; K147-E488 VanDerWaalsContact CE-OE1 3.25Å; K147-E488 WeakPolarHBondContact CE-OE1 3.48Å; K147-E488 WeakPolarHBondContact CG-OE1 3.48Å; K147-E488 IonicContact NZ-OE1 3.77Å; K147-E488 PolarHBondContact NZ-OE1 2.71Å; K147-V489 HydrophobicContact CB-CG2 4Å
148A80.3Confident55.6Low1 Ų191.2 Ų91.21%0.00846%0.456CS..THydrogen-bonded Turntrans-91.62.3179.800000114.1N146 T150 L338 Q339N146-A148 PolarHBondContact O-N 2.95Å; N146-A148 PolarHBondContact OD1-N 3.21Å; N146-A148 VanDerWaalsContact OD1-N 3.08Å; A148-T150 PolarHBondContact O-N 3.12Å; A148-L338 HydrophobicContact CB-CD2 3.81Å; A148-L338 HydrophobicContact CB-CG 4.01Å; A148-Q339 WeakPolarHBondContact O-CA 3.44Å; A148-Q339 WeakPolarHBondContact O-CB 3.49Å
149S83.6Confident56Low18 Ų1888.6 Ų88.613%0.12645%0.449CS..  trans-68.7116.6-179.9-165.40000111.2N146 F151N146-S149 VanDerWaalsContact O-CB 3.32Å; N146-S149 WeakPolarHBondContact O-CB 3.46Å; N146-S149 PolarHBondContact O-N 3.33Å; S149-F151 PolarHBondContact O-N 2.91Å
150T77.7Confident56.3Low30 Ų3090.6 Ų90.618%0.18445%0.454CS..  trans-89.326.7-178.263.20000112.6A148 F153 Q339 R484 T486A148-T150 PolarHBondContact O-N 3.12Å; T150-F153 WeakPolarHBondContact O-CB 3.49Å; T150-F153 PolarHBondContact O-N 3.49Å; T150-Q339 HydrophobicContact CG2-CB 3.87Å; T150-Q339 HydrophobicContact CG2-CG 4.37Å; T150-Q339 PolarHBondContact N-O 2.87Å; T150-Q339 PolarHBondContact OG1-NE2 3.3Å; T150-R484 HydrophobicContact CG2-CB 3.85Å; T150-T486 HydrophobicContact CG2-CG2 4.42Å
151F69.3Low56.2Low121 Ų12188.1 Ų88.153%0.53146%0.458SS..THydrogen-bonded Turntrans-76.7129.2-177.1-178-105.2000111.6F98 K143 S149 F153F98-F151 HydrophobicContact CE1-CE2 4.45Å; F98-F151 HydrophobicContact CZ-CD2 4.43Å; F98-F151 HydrophobicContact CZ-CE2 4.39Å; K143-F151 HydrophobicContact CD-CB 4.33Å; K143-F151 HydrophobicContact CD-CD1 3.76Å; K143-F151 HydrophobicContact CD-CE1 4.25Å; K143-F151 HydrophobicContact CD-CG 4.07Å; K143-F151 VanDerWaalsContact NZ-CE2 3.29Å; S149-F151 PolarHBondContact O-N 2.91Å; F151-F153 VanDerWaalsContact C-N 3.27Å; F151-F153 PolarHBondContact O-N 2.88Å
152G58.7Low55.9Low37 Ų3785.8 Ų85.838%0.38146%0.462SS..THydrogen-bonded Turntrans81.2-2.7-175.300000114.9N154 S155 S156G152-N154 VanDerWaalsContact C-N 3.25Å; G152-N154 PolarHBondContact O-N 3.32Å; G152-S155 WeakPolarHBondContact O-CB 3.4Å; G152-S155 PolarHBondContact O-N 2.78Å; G152-S156 PolarHBondContact O-N 2.68Å
153F61Low55.2Low31 Ų3180.3 Ų80.314%0.13646%0.463CS..Hα-helixtrans-64.1-24.9-176.3-145.4-82.2000113.9T150 F151 S156 L157 Y172 T486T150-F153 WeakPolarHBondContact O-CB 3.49Å; T150-F153 PolarHBondContact O-N 3.49Å; F151-F153 VanDerWaalsContact C-N 3.27Å; F151-F153 PolarHBondContact O-N 2.88Å; F153-S156 PolarHBondContact O-OG 3.01Å; F153-S156 VanDerWaalsContact O-OG 3.13Å; F153-L157 HydrophobicContact CD1-CD1 4.01Å; F153-L157 HydrophobicContact CD1-CG 4.48Å; F153-L157 HydrophobicContact CE1-CD1 4.32Å; F153-L157 WeakPolarHBondContact O-CD1 3.2Å; F153-L157 WeakPolarHBondContact O-CG 3.44Å; F153-Y172 HydrophobicContact CZ-CD1 4.1Å; F153-Y172 HydrophobicContact CZ-CE1 4.34Å; F153-T486 HydrophobicContact CE2-CG2 4.15Å
154N51.8Low54.9Low61 Ų6182.2 Ų82.233%0.32649%0.486SS..Hα-helixtrans-75-32.7170.9-74.1-1.8000111.8G152 L158 R484G152-N154 VanDerWaalsContact C-N 3.25Å; G152-N154 PolarHBondContact O-N 3.32Å; N154-L158 WeakPolarHBondContact O-CB 3.45Å; N154-L158 VanDerWaalsContact O-CG 3.29Å; N154-L158 WeakPolarHBondContact O-CG 3.48Å; N154-L158 PolarHBondContact O-N 2.72Å; N154-L158 VanDerWaalsContact O-N 3.08Å; N154-R484 PolarHBondContact OD1-NH1 3.22Å; N154-R484 PolarHBondContact OD1-NH2 3.47Å
155S48.1Very low54.3Low83 Ų8379.2 Ų79.258%0.5849%0.487SS*.Hα-helixtrans-69.7-37.8-179-52.60000112.3G152 N159G152-S155 WeakPolarHBondContact O-CB 3.4Å; G152-S155 PolarHBondContact O-N 2.78Å; S155-N159 VanDerWaalsContact O-CB 3.28Å; S155-N159 WeakPolarHBondContact O-CB 3.49Å; S155-N159 PolarHBondContact O-N 2.94Å
156S44.3Very low52.8Low65 Ų6580.6 Ų80.646%0.45550%0.499SS..Hα-helixtrans-67.7-43.3175.349.40000112.5G152 F153 N159 N160G152-S156 PolarHBondContact O-N 2.68Å; F153-S156 PolarHBondContact O-OG 3.01Å; F153-S156 VanDerWaalsContact O-OG 3.13Å; S156-N159 PolarHBondContact O-N 2.81Å; S156-N160 PolarHBondContact O-N 2.71Å
157L47.1Very low50.6Low76 Ų7687.1 Ų87.140%0.39853%0.528SS..Hα-helixtrans-63.6-40.6177.8-69.1173000112.2F153F153-L157 HydrophobicContact CD1-CD1 4.01Å; F153-L157 HydrophobicContact CD1-CG 4.48Å; F153-L157 HydrophobicContact CE1-CD1 4.32Å; F153-L157 WeakPolarHBondContact O-CD1 3.2Å; F153-L157 WeakPolarHBondContact O-CG 3.44Å
158L40.6Very low48.5Very low137 Ų13795.4 Ų95.472%0.71756%0.558SS**Hα-helixtrans-68.1-40.5175.6-71.1169.2000112.5N154 N160 G161N154-L158 WeakPolarHBondContact O-CB 3.45Å; N154-L158 VanDerWaalsContact O-CG 3.29Å; N154-L158 WeakPolarHBondContact O-CG 3.48Å; N154-L158 PolarHBondContact O-N 2.72Å; N154-L158 VanDerWaalsContact O-N 3.08Å; L158-N160 VanDerWaalsContact C-N 3.27Å; L158-N160 PolarHBondContact O-N 3.49Å; L158-G161 PolarHBondContact O-N 3.05Å
159N38.3Very low46.5Very low134 Ų134105.6 Ų105.672%0.71760%0.598SS**Hα-helixtrans-70.4-21.3-175.9-160.280.8000113.5S155 S156 G161S155-N159 VanDerWaalsContact O-CB 3.28Å; S155-N159 WeakPolarHBondContact O-CB 3.49Å; S155-N159 PolarHBondContact O-N 2.94Å; S156-N159 PolarHBondContact O-N 2.81Å; N159-G161 VanDerWaalsContact C-N 3.34Å
160N40Very low45.1Very low140 Ų140113 Ų11375%0.74963%0.63SS**THydrogen-bonded Turntrans-82.9-7.1170.3-78.210.8000113.5S156 L158 C162S156-N160 PolarHBondContact O-N 2.71Å; L158-N160 VanDerWaalsContact C-N 3.27Å; L158-N160 PolarHBondContact O-N 3.49Å; N160-C162 PolarHBondContact O-N 3.32Å
161G34.9Very low44.6Very low70 Ų70114 Ų11472%0.72265%0.647SS**SBendtrans-78.9-6.9-174.900000116.1L158 N159L158-G161 PolarHBondContact O-N 3.05Å; N159-G161 VanDerWaalsContact C-N 3.34Å
162C30.3Very low45.1Very low131 Ų131110.9 Ų110.989%0.88563%0.632SS**  trans-121.153.9-172.2-159.70000113.2N160N160-C162 PolarHBondContact O-N 3.32Å
163G30.3Very low46.3Very low69 Ų69113 Ų11371%0.71164%0.637SS**  trans-124.8116.7172.400000111.4
164S39.1Very low47.6Very low114 Ų114111.5 Ų111.580%0.79763%0.631SS**  trans-80.3127-179.157.90000112.6
165N39.1Very low49.6Very low160 Ų160109.2 Ų109.286%0.85662%0.619SS**SBendtrans55.967.4163.3-65.2-3.6000117.1
166T33.9Very low51.7Low134 Ų134106.8 Ų106.882%0.82260%0.602SS**SBendtrans-142165.3144.7-49.50000108.9
167E33.7Very low54.1Low160 Ų160104 Ų10475%0.74858%0.581SS**  trans-45.7143.4-171.9-60.9168.414200115.1Y169E167-Y169 PolarHBondContact O-N 3.24Å
168R37.3Very low56.2Low231 Ų231102.2 Ų102.287%0.87257%0.57SS**  trans-65.698172.5-80.1-171.1177.8-171.71.7110.6
169Y37.9Very low58.5Low215 Ų215101.5 Ų101.584%0.84357%0.571SS**  trans-72.5118146.8-82.8-98.9000107.9E167 G171E167-Y169 PolarHBondContact O-N 3.24Å; Y169-G171 PolarHBondContact O-N 3.32Å
170E54.1Low60.9Low173 Ų17399.7 Ų99.781%0.80855%0.554SS**  trans-70.8102.6175.5-64-165.213800109.2
171G66.1Low63.3Low51 Ų5198.6 Ų98.653%0.52655%0.548SS..  trans-65.5136.8179.800000111.6Y169 T173Y169-G171 PolarHBondContact O-N 3.32Å; G171-T173 PolarHBondContact O-N 3.12Å; G171-T173 VanDerWaalsContact O-N 3.13Å
172Y81.4Confident66Low57 Ų5796.8 Ų96.822%0.22452%0.52CS..  trans-55.5116.7-178.6-174.6-99.4000111.9F153 G174 Q487 D490F153-Y172 HydrophobicContact CZ-CD1 4.1Å; F153-Y172 HydrophobicContact CZ-CE1 4.34Å; Y172-G174 VanDerWaalsContact C-N 3.31Å; Y172-G174 PolarHBondContact O-N 3.4Å; Y172-Q487 HydrophobicContact CD1-CB 3.76Å; Y172-Q487 HydrophobicContact CD1-CG 4.45Å; Y172-Q487 HydrophobicContact CD2-CB 4.44Å; Y172-Q487 HydrophobicContact CD2-CG 4.33Å; Y172-Q487 HydrophobicContact CE1-CB 3.89Å; Y172-Q487 VanDerWaalsContact CE1-N 3.34Å; Y172-Q487 HydrophobicContact CG-CB 4.05Å; Y172-Q487 HydrophobicContact CG-CG 4.25Å; Y172-D490 HydrophobicContact CE2-CB 4.36Å; Y172-D490 WeakPolarHBondContact CE2-OD2 3.46Å; Y172-D490 WeakPolarHBondContact OH-CB 3.01Å; Y172-D490 PolarHBondContact OH-OD2 3.08Å
173T83.2Confident68.9Low80 Ų8093.2 Ų93.249%0.49150%0.496SS..  trans-73.9-20.1-170.157.90000114G171 T175G171-T173 PolarHBondContact O-N 3.12Å; G171-T173 VanDerWaalsContact O-N 3.13Å; T173-T175 VanDerWaalsContact C-N 3.25Å; T173-T175 PolarHBondContact OG1-N 2.85Å; T173-T175 PolarHBondContact OG1-OG1 3.14Å
174G88.3Confident71.6Confident0 Ų097.2 Ų97.20%050%0.496CS..SBendtrans77.16.7-167.900000114.4Y172 R484 V485Y172-G174 VanDerWaalsContact C-N 3.31Å; Y172-G174 PolarHBondContact O-N 3.4Å; G174-R484 CarbonylContact O-C 3.6Å; G174-R484 WeakPolarHBondContact O-CA 3.42Å; G174-R484 WeakPolarHBondContact O-CB 3.46Å; G174-V485 VanDerWaalsContact CA-O 3.24Å; G174-V485 WeakPolarHBondContact CA-O 3.43Å; G174-V485 PolarHBondContact O-N 3.07Å
175T92.6Very high74.1Confident14 Ų1492.7 Ų92.79%0.08647%0.468CS..  trans-133.660.5-176.967.40000111.9T173 W177 K178 R484T173-T175 VanDerWaalsContact C-N 3.25Å; T173-T175 PolarHBondContact OG1-N 2.85Å; T173-T175 PolarHBondContact OG1-OG1 3.14Å; T175-W177 HydrophobicContact CG2-CH2 3.73Å; T175-W177 HydrophobicContact CG2-CZ2 3.69Å; T175-W177 HydrophobicContact CG2-CZ3 4.46Å; T175-W177 PolarHBondContact O-N 3.27Å; T175-W177 VanDerWaalsContact O-N 3.1Å; T175-K178 PolarHBondContact O-N 2.98Å; T175-R484 HydrophobicContact CG2-CG 4.28Å
176P92.9Very high76.7Confident32 Ų3287.5 Ų87.521%0.20844%0.442CS..THydrogen-bonded Turntrans-63.7-16.6-172.227-37.5000114.6K178 Y199 V485 D490P176-K178 VanDerWaalsContact C-N 3.32Å; P176-Y199 HydrophobicContact CB-CD2 4.36Å; P176-Y199 HydrophobicContact CB-CE2 3.85Å; P176-Y199 HydrophobicContact CG-CD1 4.4Å; P176-Y199 HydrophobicContact CG-CD2 4.22Å; P176-Y199 HydrophobicContact CG-CE1 3.83Å; P176-Y199 HydrophobicContact CG-CE2 3.6Å; P176-V485 HydrophobicContact CG-CB 4.39Å; P176-D490 WeakPolarHBondContact CB-OD2 3.31Å; P176-D490 WeakPolarHBondContact CG-OD2 3.11Å
177W94.3Very high79.5Confident5 Ų584.7 Ų84.72%0.01942%0.424CS..THydrogen-bonded Turntrans-72-20.417364.584.3000113.7T175 V179 Y182 E192 F196 Y199 I483 V485T175-W177 HydrophobicContact CG2-CH2 3.73Å; T175-W177 HydrophobicContact CG2-CZ2 3.69Å; T175-W177 HydrophobicContact CG2-CZ3 4.46Å; T175-W177 PolarHBondContact O-N 3.27Å; T175-W177 VanDerWaalsContact O-N 3.1Å; W177-V179 PolarHBondContact O-N 3.07Å; W177-Y182 PolarHBondContact O-OH 2.86Å; W177-E192 PolarHBondContact NE1-OE1 3.37Å; W177-E192 VanDerWaalsContact NE1-OE1 3.12Å; W177-F196 HydrophobicContact CB-CB 4.47Å; W177-F196 HydrophobicContact CD2-CB 4.13Å; W177-F196 AromaticContact CD2-CD2 3.82Å; W177-F196 HydrophobicContact CD2-CD2 3.82Å; W177-F196 HydrophobicContact CD2-CG 4.47Å; W177-F196 AromaticContact CE3-CD2 3.64Å; W177-F196 HydrophobicContact CE3-CD2 3.64Å; W177-F196 HydrophobicContact CE3-CE2 4.32Å; W177-F196 HydrophobicContact CG-CB 3.96Å; W177-F196 HydrophobicContact CG-CD2 4.43Å; W177-F196 HydrophobicContact CH2-CD2 4.21Å; W177-F196 HydrophobicContact CZ2-CD2 4.4Å; W177-F196 AromaticContact CZ3-CD2 3.84Å; W177-F196 HydrophobicContact CZ3-CD2 3.84Å; W177-F196 HydrophobicContact CZ3-CE2 4.17Å; W177-Y199 HydrophobicContact CB-CD1 4.47Å; W177-Y199 HydrophobicContact CB-CG 3.99Å; W177-Y199 HydrophobicContact CE3-CD1 4.33Å; W177-I483 HydrophobicContact CH2-CG1 4.23Å; W177-V485 HydrophobicContact CZ3-CB 4.41Å; W177-V485 HydrophobicContact CZ3-CG2 3.97Å
178K91.6Very high82.4Confident40 Ų4077.1 Ų77.117%0.17439%0.389CS..  trans-78.275.2179.2-172.6171.8-178.2-1680110.5T175 P176 R180 Y182 E474 N475 E476T175-K178 PolarHBondContact O-N 2.98Å; P176-K178 VanDerWaalsContact C-N 3.32Å; K178-R180 VanDerWaalsContact C-N 3.32Å; K178-R180 WeakPolarHBondContact CE-O 3.15Å; K178-R180 WeakPolarHBondContact CG-O 3.45Å; K178-Y182 HydrophobicContact CB-CE2 4.16Å; K178-Y182 HydrophobicContact CD-CD2 4.32Å; K178-Y182 HydrophobicContact CD-CE2 3.98Å; K178-Y182 HydrophobicContact CG-CD2 4.38Å; K178-Y182 HydrophobicContact CG-CE2 3.65Å; K178-E474 PolarHBondContact NZ-O 3.34Å; K178-N475 PolarHBondContact NZ-O 3.43Å; K178-E476 VanDerWaalsContact NZ-C 3.34Å; K178-E476 PolarHBondContact NZ-O 2.67Å
179V88.3Confident85.2Confident121 Ų12166.1 Ų66.173%0.73335%0.347SS*.  trans-86.3-3.5175.8-61.10000113.2W177W177-V179 PolarHBondContact O-N 3.07Å
180R89.7Confident87.9Confident97 Ų9757.4 Ų57.437%0.36631%0.314SS..SBendtrans-151.4169-174.763.6-175.3-179.696-7.4111.8K178 Y182 E191 D195K178-R180 VanDerWaalsContact C-N 3.32Å; K178-R180 WeakPolarHBondContact CE-O 3.15Å; K178-R180 WeakPolarHBondContact CG-O 3.45Å; R180-Y182 HydrophobicContact CG-CD1 4.43Å; R180-Y182 HydrophobicContact CG-CE1 3.93Å; R180-Y182 VanDerWaalsContact CZ-CE1 3.42Å; R180-E191 IonicContact CZ-OE2 3.66Å; R180-E191 IonicContact NH1-OE2 2.74Å; R180-E191 PolarHBondContact NH1-OE2 3.1Å; R180-E191 IonicContact NH2-OE2 3.73Å; R180-D195 IonicContact CZ-OD1 3.33Å; R180-D195 IonicContact CZ-OD2 2.76Å; R180-D195 IonicContact NE-OD1 3.53Å; R180-D195 PolarHBondContact NE-OD1 3.26Å; R180-D195 IonicContact NE-OD2 3.46Å; R180-D195 PolarHBondContact NE-OD2 3.26Å; R180-D195 IonicContact NH2-OD1 3.46Å; R180-D195 PolarHBondContact NH2-OD1 3.44Å; R180-D195 IonicContact NH2-OD2 2.8Å; R180-D195 PolarHBondContact NH2-OD2 2.96Å
181N89.7Confident89.9Confident116 Ų11650.9 Ų50.962%0.6228%0.284SS*.  trans-80148.2165.6-70.3-12.8000110.4
182Y91.6Very high91.4Very high33 Ų3348.4 Ų48.413%0.12926%0.259CS..  trans-108.8157.1-179-63.9-59.5000110.5W177 K178 R180 E191 E192 D195W177-Y182 PolarHBondContact O-OH 2.86Å; K178-Y182 HydrophobicContact CB-CE2 4.16Å; K178-Y182 HydrophobicContact CD-CD2 4.32Å; K178-Y182 HydrophobicContact CD-CE2 3.98Å; K178-Y182 HydrophobicContact CG-CD2 4.38Å; K178-Y182 HydrophobicContact CG-CE2 3.65Å; R180-Y182 HydrophobicContact CG-CD1 4.43Å; R180-Y182 HydrophobicContact CG-CE1 3.93Å; R180-Y182 VanDerWaalsContact CZ-CE1 3.42Å; Y182-E191 HydrophobicContact CD1-CB 3.69Å; Y182-E191 HydrophobicContact CE1-CB 4.23Å; Y182-E192 HydrophobicContact CD1-CB 4.25Å; Y182-E192 HydrophobicContact CD2-CB 3.85Å; Y182-E192 HydrophobicContact CD2-CG 4.1Å; Y182-E192 HydrophobicContact CE1-CB 4.06Å; Y182-E192 HydrophobicContact CE2-CB 3.65Å; Y182-E192 VanDerWaalsContact CE2-CD 3.44Å; Y182-E192 HydrophobicContact CE2-CG 3.52Å; Y182-E192 VanDerWaalsContact CE2-OE1 3.27Å; Y182-E192 WeakPolarHBondContact CE2-OE1 3.45Å; Y182-E192 HydrophobicContact CG-CB 4.17Å; Y182-D195 HydrophobicContact CE1-CB 4.39Å; Y182-D195 WeakPolarHBondContact CE1-OD2 3.4Å; Y182-D195 WeakPolarHBondContact OH-CB 3.31Å; Y182-D195 PolarHBondContact OH-OD2 3.44Å
183S91.4Very high92.2Very high55 Ų5545.8 Ų45.839%0.38525%0.248SC..  trans-57.3163.6169.1-630000112.5G188 E191S183-G188 WeakPolarHBondContact O-CA 3.29Å; S183-G188 PolarHBondContact O-N 2.77Å; S183-E191 WeakPolarHBondContact CB-OE1 3.49Å; S183-E191 PolarHBondContact N-OE2 3.18Å; S183-E191 PolarHBondContact OG-OE1 2.8Å
184E88.1Confident92.8Very high154 Ų15446.3 Ų46.372%0.7224%0.244SC*.SBendtrans-68.8156.6172.3-72.8-170.6-169.700112.7G188E184-G188 PolarHBondContact O-N 3.04Å
185G90.8Very high93.2Very high19 Ų1947.6 Ų47.620%0.19625%0.25CS..Hα-helixtrans63.9-145.2167.200000115.2V187 G188 L189 V463G185-V187 PolarHBondContact O-N 2.92Å; G185-G188 PolarHBondContact O-N 2.72Å; G185-L189 PolarHBondContact O-N 2.92Å; G185-L189 VanDerWaalsContact O-N 3.15Å; G185-V463 WeakPolarHBondContact CA-O 3.2Å
186V93.5Very high93.4Very high51 Ų5146.9 Ų46.931%0.30925%0.246SC..Hα-helixtrans-68-16.9-177.9-630000113.7H190 N376 V379 I382 V463V186-H190 WeakPolarHBondContact O-CB 3.43Å; V186-H190 PolarHBondContact O-N 3.08Å; V186-H190 VanDerWaalsContact O-N 3.14Å; V186-N376 PolarHBondContact O-ND2 2.85Å; V186-N376 PolarHBondContact O-OD1 2.88Å; V186-V379 HydrophobicContact CB-CG2 3.85Å; V186-V379 HydrophobicContact CG1-CG2 4Å; V186-V379 HydrophobicContact CG2-CG2 3.95Å; V186-I382 HydrophobicContact CG1-CD1 4.41Å; V186-V463 HydrophobicContact CG1-CB 3.96Å; V186-V463 HydrophobicContact CG1-CG1 4.31Å; V186-V463 HydrophobicContact CG1-CG2 3.78Å
187V93.8Very high93.6Very high75 Ų7547.7 Ų47.746%0.45525%0.246SC..Hα-helixtrans-72.9-46.6173.3-173.40000109.3G185 L189 H190 E191G185-V187 PolarHBondContact O-N 2.92Å; V187-L189 PolarHBondContact O-N 2.98Å; V187-H190 WeakPolarHBondContact O-CB 3.19Å; V187-H190 PolarHBondContact O-N 3.19Å; V187-H190 VanDerWaalsContact O-N 3.16Å; V187-E191 WeakPolarHBondContact O-CG 3.35Å; V187-E191 PolarHBondContact O-N 3.07Å
188G93.6Very high93.7Very high0 Ų055 Ų550%028%0.28CS..Hα-helixtrans-59.8-42.8173.800000113.6S183 E184 G185 H190 E191 E192S183-G188 WeakPolarHBondContact O-CA 3.29Å; S183-G188 PolarHBondContact O-N 2.77Å; E184-G188 PolarHBondContact O-N 3.04Å; G185-G188 PolarHBondContact O-N 2.72Å; G188-H190 VanDerWaalsContact C-N 3.31Å; G188-H190 PolarHBondContact O-N 2.83Å; G188-E191 WeakPolarHBondContact O-CB 3.29Å; G188-E191 PolarHBondContact O-N 3.43Å; G188-E192 WeakPolarHBondContact O-CB 3.31Å; G188-E192 PolarHBondContact O-N 3.07Å
189L95.5Very high93.9Very high0 Ų054.4 Ų54.40%028%0.277CS..Hα-helixtrans-62.9-37.7175.7-178.760.4000112.1G185 V187 I193 I382 L459 V463 I478 L479G185-L189 PolarHBondContact O-N 2.92Å; G185-L189 VanDerWaalsContact O-N 3.15Å; V187-L189 PolarHBondContact O-N 2.98Å; L189-I193 HydrophobicContact CD1-CD1 4.03Å; L189-I193 HydrophobicContact CD1-CG1 4.24Å; L189-I193 HydrophobicContact CG-CD1 3.9Å; L189-I193 WeakPolarHBondContact O-CB 3.43Å; L189-I193 VanDerWaalsContact O-CD1 3.31Å; L189-I193 WeakPolarHBondContact O-CD1 3.31Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 2.96Å; L189-I382 HydrophobicContact CD2-CD1 3.74Å; L189-I382 HydrophobicContact CD2-CG1 4.01Å; L189-L459 HydrophobicContact CD1-CD2 4Å; L189-L459 HydrophobicContact CD2-CD1 4.16Å; L189-L459 HydrophobicContact CD2-CD2 4.21Å; L189-V463 HydrophobicContact CB-CG1 4.05Å; L189-V463 HydrophobicContact CD2-CG1 3.94Å; L189-I478 HydrophobicContact CB-CG2 4.39Å; L189-I478 HydrophobicContact CD1-CG2 4.08Å; L189-L479 HydrophobicContact CD1-CB 4.2Å; L189-L479 HydrophobicContact CD1-CD1 4.4Å
190H96.3Very high94.3Very high32 Ų3248.7 Ų48.715%0.14824%0.242CC..Hα-helixtrans-67.2-41.2175.5169.969000113V186 V187 G188 K194 I377V186-H190 WeakPolarHBondContact O-CB 3.43Å; V186-H190 PolarHBondContact O-N 3.08Å; V186-H190 VanDerWaalsContact O-N 3.14Å; V187-H190 WeakPolarHBondContact O-CB 3.19Å; V187-H190 PolarHBondContact O-N 3.19Å; V187-H190 VanDerWaalsContact O-N 3.16Å; G188-H190 VanDerWaalsContact C-N 3.31Å; G188-H190 PolarHBondContact O-N 2.83Å; H190-K194 VanDerWaalsContact CE1-CE 3.49Å; H190-K194 WeakPolarHBondContact CE1-CE 3.39Å; H190-K194 PolarHBondContact CE1-NZ 2.93Å; H190-K194 WeakPolarHBondContact NE2-CE 3.11Å; H190-K194 PolarHBondContact NE2-NZ 2.7Å; H190-K194 PolarHBondContact O-N 2.68Å; H190-I377 WeakPolarHBondContact ND1-CG1 3.42Å; H190-I377 PolarHBondContact ND1-N 3.13Å; H190-I377 VanDerWaalsContact ND1-N 3.13Å
191E95.8Very high94.5Very high36 Ų3645 Ų4517%0.16823%0.231CC..Hα-helixtrans-60.7-49.2172.4-75.9174.9-138.300111.3R180 Y182 S183 V187 G188 I193 K194 D195R180-E191 IonicContact CZ-OE2 3.66Å; R180-E191 IonicContact NH1-OE2 2.74Å; R180-E191 PolarHBondContact NH1-OE2 3.1Å; R180-E191 IonicContact NH2-OE2 3.73Å; Y182-E191 HydrophobicContact CD1-CB 3.69Å; Y182-E191 HydrophobicContact CE1-CB 4.23Å; S183-E191 WeakPolarHBondContact CB-OE1 3.49Å; S183-E191 PolarHBondContact N-OE2 3.18Å; S183-E191 PolarHBondContact OG-OE1 2.8Å; V187-E191 WeakPolarHBondContact O-CG 3.35Å; V187-E191 PolarHBondContact O-N 3.07Å; G188-E191 WeakPolarHBondContact O-CB 3.29Å; G188-E191 PolarHBondContact O-N 3.43Å; E191-I193 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 3.26Å; E191-K194 WeakPolarHBondContact O-CB 3.4Å; E191-K194 PolarHBondContact O-N 2.83Å; E191-D195 PolarHBondContact O-N 3.12Å; E191-D195 VanDerWaalsContact O-N 3.1Å
192E96.9Very high94.6Very high0 Ų041.4 Ų41.40%021%0.214CC..Hα-helixtrans-66.8-32.9-177.6-174.6163.1-138.300113.1W177 Y182 G188 K194 D195 F196 S477 I478 L479W177-E192 PolarHBondContact NE1-OE1 3.37Å; W177-E192 VanDerWaalsContact NE1-OE1 3.12Å; Y182-E192 HydrophobicContact CD1-CB 4.25Å; Y182-E192 HydrophobicContact CD2-CB 3.85Å; Y182-E192 HydrophobicContact CD2-CG 4.1Å; Y182-E192 HydrophobicContact CE1-CB 4.06Å; Y182-E192 HydrophobicContact CE2-CB 3.65Å; Y182-E192 VanDerWaalsContact CE2-CD 3.44Å; Y182-E192 HydrophobicContact CE2-CG 3.52Å; Y182-E192 VanDerWaalsContact CE2-OE1 3.27Å; Y182-E192 WeakPolarHBondContact CE2-OE1 3.45Å; Y182-E192 HydrophobicContact CG-CB 4.17Å; G188-E192 WeakPolarHBondContact O-CB 3.31Å; G188-E192 PolarHBondContact O-N 3.07Å; E192-K194 VanDerWaalsContact C-N 3.27Å; E192-K194 PolarHBondContact O-N 2.92Å; E192-D195 PolarHBondContact O-N 2.87Å; E192-F196 VanDerWaalsContact O-CB 3.24Å; E192-F196 WeakPolarHBondContact O-CB 3.28Å; E192-F196 PolarHBondContact O-N 2.84Å; E192-S477 WeakPolarHBondContact OE1-CA 3.4Å; E192-S477 WeakPolarHBondContact OE1-CB 3.43Å; E192-S477 PolarHBondContact OE1-OG 2.78Å; E192-S477 PolarHBondContact OE2-OG 2.86Å; E192-I478 WeakPolarHBondContact OE2-CA 3.14Å; E192-I478 WeakPolarHBondContact OE2-CB 3.27Å; E192-I478 PolarHBondContact OE2-N 3.39Å; E192-L479 HydrophobicContact CG-CB 3.84Å; E192-L479 HydrophobicContact CG-CD2 4.19Å; E192-L479 WeakPolarHBondContact OE2-CB 3.39Å; E192-L479 PolarHBondContact OE2-N 3.01Å
193I97.7Very high94.7Very high1 Ų142.6 Ų42.61%0.00522%0.218CC..Hα-helixtrans-65.5-31172.3-70162.1000111.5L189 E191 Y197 Y328 V332 I377 L381 L479L189-I193 HydrophobicContact CD1-CD1 4.03Å; L189-I193 HydrophobicContact CD1-CG1 4.24Å; L189-I193 HydrophobicContact CG-CD1 3.9Å; L189-I193 WeakPolarHBondContact O-CB 3.43Å; L189-I193 VanDerWaalsContact O-CD1 3.31Å; L189-I193 WeakPolarHBondContact O-CD1 3.31Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 2.96Å; E191-I193 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 3.26Å; I193-Y197 WeakPolarHBondContact O-CB 3.36Å; I193-Y197 PolarHBondContact O-N 2.62Å; I193-Y328 HydrophobicContact CG2-CD1 4.47Å; I193-V332 HydrophobicContact CG1-CG2 4.42Å; I193-V332 HydrophobicContact CG2-CG2 4.09Å; I193-I377 HydrophobicContact CD1-CG2 4.28Å; I193-I377 HydrophobicContact CG2-CB 4.46Å; I193-I377 HydrophobicContact CG2-CG2 3.74Å; I193-L381 HydrophobicContact CD1-CB 4.12Å; I193-L381 HydrophobicContact CD1-CD2 3.6Å; I193-L381 HydrophobicContact CD1-CG 4.49Å; I193-L381 HydrophobicContact CG1-CD2 4.26Å; I193-L479 HydrophobicContact CG1-CD1 4.36Å; I193-L479 HydrophobicContact CG1-CD2 3.94Å
194K96.7Very high94.8Very high92 Ų9244.4 Ų44.440%0.423%0.229SC..Hα-helixtrans-70.9-50.2174.6-76.5169.6162.3169.30111.2H190 E191 E192 F196 Y197 E198 Y328 I377H190-K194 VanDerWaalsContact CE1-CE 3.49Å; H190-K194 WeakPolarHBondContact CE1-CE 3.39Å; H190-K194 PolarHBondContact CE1-NZ 2.93Å; H190-K194 WeakPolarHBondContact NE2-CE 3.11Å; H190-K194 PolarHBondContact NE2-NZ 2.7Å; H190-K194 PolarHBondContact O-N 2.68Å; E191-K194 WeakPolarHBondContact O-CB 3.4Å; E191-K194 PolarHBondContact O-N 2.83Å; E192-K194 VanDerWaalsContact C-N 3.27Å; E192-K194 PolarHBondContact O-N 2.92Å; K194-F196 VanDerWaalsContact C-N 3.33Å; K194-F196 PolarHBondContact O-N 2.92Å; K194-Y197 WeakPolarHBondContact O-CB 3.17Å; K194-Y197 PolarHBondContact O-N 2.98Å; K194-Y197 VanDerWaalsContact O-N 3.14Å; K194-E198 PolarHBondContact O-N 3.46Å; K194-Y328 HydrophobicContact CG-CD1 4.38Å; K194-Y328 HydrophobicContact CG-CE1 3.97Å; K194-I377 HydrophobicContact CG-CD1 4.5Å
195D96.9Very high95.1Very high26 Ų2639.2 Ų39.214%0.13920%0.204CC..Hα-helixtrans-59.5-42.5176.6-67.731.6000111.4R180 Y182 E191 E192 E198 Y199R180-D195 IonicContact CZ-OD1 3.33Å; R180-D195 IonicContact CZ-OD2 2.76Å; R180-D195 IonicContact NE-OD1 3.53Å; R180-D195 PolarHBondContact NE-OD1 3.26Å; R180-D195 IonicContact NE-OD2 3.46Å; R180-D195 PolarHBondContact NE-OD2 3.26Å; R180-D195 IonicContact NH2-OD1 3.46Å; R180-D195 PolarHBondContact NH2-OD1 3.44Å; R180-D195 IonicContact NH2-OD2 2.8Å; R180-D195 PolarHBondContact NH2-OD2 2.96Å; Y182-D195 HydrophobicContact CE1-CB 4.39Å; Y182-D195 WeakPolarHBondContact CE1-OD2 3.4Å; Y182-D195 WeakPolarHBondContact OH-CB 3.31Å; Y182-D195 PolarHBondContact OH-OD2 3.44Å; E191-D195 PolarHBondContact O-N 3.12Å; E191-D195 VanDerWaalsContact O-N 3.1Å; E192-D195 PolarHBondContact O-N 2.87Å; D195-E198 PolarHBondContact O-N 3.46Å; D195-Y199 WeakPolarHBondContact O-CB 3.19Å; D195-Y199 PolarHBondContact O-N 3.22Å
196F97.4Very high95.3Very high0 Ų038.3 Ų38.30%020%0.195CC..Hα-helixtrans-62.6-44173.4168.4-98.4000112.2W177 E192 K194 E198 Y199 I200 V332 Q335 L479 I483W177-F196 HydrophobicContact CB-CB 4.47Å; W177-F196 HydrophobicContact CD2-CB 4.13Å; W177-F196 AromaticContact CD2-CD2 3.82Å; W177-F196 HydrophobicContact CD2-CD2 3.82Å; W177-F196 HydrophobicContact CD2-CG 4.47Å; W177-F196 AromaticContact CE3-CD2 3.64Å; W177-F196 HydrophobicContact CE3-CD2 3.64Å; W177-F196 HydrophobicContact CE3-CE2 4.32Å; W177-F196 HydrophobicContact CG-CB 3.96Å; W177-F196 HydrophobicContact CG-CD2 4.43Å; W177-F196 HydrophobicContact CH2-CD2 4.21Å; W177-F196 HydrophobicContact CZ2-CD2 4.4Å; W177-F196 AromaticContact CZ3-CD2 3.84Å; W177-F196 HydrophobicContact CZ3-CD2 3.84Å; W177-F196 HydrophobicContact CZ3-CE2 4.17Å; E192-F196 VanDerWaalsContact O-CB 3.24Å; E192-F196 WeakPolarHBondContact O-CB 3.28Å; E192-F196 PolarHBondContact O-N 2.84Å; K194-F196 VanDerWaalsContact C-N 3.33Å; K194-F196 PolarHBondContact O-N 2.92Å; F196-E198 VanDerWaalsContact C-N 3.35Å; F196-E198 PolarHBondContact O-N 3.28Å; F196-Y199 PolarHBondContact O-N 2.87Å; F196-I200 HydrophobicContact CD1-CG2 4.21Å; F196-I200 HydrophobicContact CD2-CB 4.42Å; F196-I200 HydrophobicContact CE1-CB 4.31Å; F196-I200 HydrophobicContact CE1-CG2 3.73Å; F196-I200 HydrophobicContact CE2-CB 3.92Å; F196-I200 HydrophobicContact CE2-CD1 4.23Å; F196-I200 HydrophobicContact CE2-CG1 4.02Å; F196-I200 HydrophobicContact CE2-CG2 4.26Å; F196-I200 HydrophobicContact CZ-CB 3.86Å; F196-I200 HydrophobicContact CZ-CD1 4.46Å; F196-I200 HydrophobicContact CZ-CG1 3.84Å; F196-I200 HydrophobicContact CZ-CG2 3.75Å; F196-I200 VanDerWaalsContact O-CB 3.32Å; F196-I200 WeakPolarHBondContact O-CB 3.47Å; F196-I200 VanDerWaalsContact O-CG2 3.24Å; F196-I200 WeakPolarHBondContact O-CG2 3.47Å; F196-I200 PolarHBondContact O-N 3.36Å; F196-V332 HydrophobicContact CD1-CG2 3.53Å; F196-V332 HydrophobicContact CE1-CB 4.27Å; F196-V332 HydrophobicContact CE1-CG2 3.57Å; F196-Q335 HydrophobicContact CE2-CG 4.44Å; F196-Q335 HydrophobicContact CZ-CB 3.95Å; F196-Q335 HydrophobicContact CZ-CG 4.16Å; F196-L479 HydrophobicContact CB-CD2 3.63Å; F196-L479 HydrophobicContact CD1-CD2 4.16Å; F196-L479 HydrophobicContact CG-CD2 3.84Å; F196-I483 HydrophobicContact CD1-CD1 4.14Å; F196-I483 HydrophobicContact CD2-CD1 3.82Å; F196-I483 HydrophobicContact CE1-CD1 3.83Å; F196-I483 HydrophobicContact CE2-CD1 3.49Å; F196-I483 VanDerWaalsContact CE2-CD1 3.49Å; F196-I483 HydrophobicContact CG-CD1 4.14Å; F196-I483 HydrophobicContact CZ-CD1 3.5Å; F196-I483 VanDerWaalsContact CZ-CD1 3.5Å
197Y96.9Very high95.3Very high49 Ų4940.7 Ų40.719%0.19220%0.203CC..Hα-helixtrans-61.6-43178.1174.5-92.8000111.6I193 K194 S201 P327 Y328 L331I193-Y197 WeakPolarHBondContact O-CB 3.36Å; I193-Y197 PolarHBondContact O-N 2.62Å; K194-Y197 WeakPolarHBondContact O-CB 3.17Å; K194-Y197 PolarHBondContact O-N 2.98Å; K194-Y197 VanDerWaalsContact O-N 3.14Å; Y197-S201 WeakPolarHBondContact O-CB 3.31Å; Y197-S201 PolarHBondContact O-N 3.44Å; Y197-S201 PolarHBondContact O-OG 3.37Å; Y197-P327 HydrophobicContact CE2-CB 3.48Å; Y197-P327 VanDerWaalsContact CE2-CB 3.48Å; Y197-Y328 VanDerWaalsContact CB-CD1 3.41Å; Y197-Y328 AromaticContact CD1-CD1 3.77Å; Y197-Y328 HydrophobicContact CD1-CD1 3.77Å; Y197-Y328 AromaticContact CD1-CE1 3.35Å; Y197-Y328 HydrophobicContact CD1-CE1 3.35Å; Y197-Y328 AromaticContact CD1-CZ 3.85Å; Y197-Y328 AromaticContact CD2-CD1 3.9Å; Y197-Y328 HydrophobicContact CD2-CD1 3.9Å; Y197-Y328 HydrophobicContact CD2-CE1 4.31Å; Y197-Y328 HydrophobicContact CD2-CG 4.11Å; Y197-Y328 HydrophobicContact CE1-CE1 4.01Å; Y197-Y328 AromaticContact CG-CD1 3.4Å; Y197-Y328 HydrophobicContact CG-CD1 3.4Å; Y197-Y328 AromaticContact CG-CE1 3.53Å; Y197-Y328 HydrophobicContact CG-CE1 3.53Å; Y197-Y328 HydrophobicContact CG-CG 4.08Å; Y197-L331 HydrophobicContact CD2-CB 4.49Å; Y197-L331 HydrophobicContact CD2-CD1 3.74Å; Y197-L331 HydrophobicContact CD2-CG 4.36Å; Y197-L331 HydrophobicContact CE2-CD1 3.65Å; Y197-L331 HydrophobicContact CE2-CG 4.31Å
198E95.9Very high95.3Very high157 Ų15740.1 Ų40.173%0.73419%0.194SC*.Hα-helixtrans-63.3-47.4174.6-174.1172.5176.500111.3K194 D195 F196 I200K194-E198 PolarHBondContact O-N 3.46Å; D195-E198 PolarHBondContact O-N 3.46Å; F196-E198 VanDerWaalsContact C-N 3.35Å; F196-E198 PolarHBondContact O-N 3.28Å; E198-I200 PolarHBondContact O-N 2.94Å
199Y96.1Very high95.4Very high28 Ų2840.1 Ų40.111%0.1119%0.194CC..Hα-helixtrans-60.9-42.4177.4168.5-88.2000113.4P176 W177 D195 F196 V485 D490 R493P176-Y199 HydrophobicContact CB-CD2 4.36Å; P176-Y199 HydrophobicContact CB-CE2 3.85Å; P176-Y199 HydrophobicContact CG-CD1 4.4Å; P176-Y199 HydrophobicContact CG-CD2 4.22Å; P176-Y199 HydrophobicContact CG-CE1 3.83Å; P176-Y199 HydrophobicContact CG-CE2 3.6Å; W177-Y199 HydrophobicContact CB-CD1 4.47Å; W177-Y199 HydrophobicContact CB-CG 3.99Å; W177-Y199 HydrophobicContact CE3-CD1 4.33Å; D195-Y199 WeakPolarHBondContact O-CB 3.19Å; D195-Y199 PolarHBondContact O-N 3.22Å; F196-Y199 PolarHBondContact O-N 2.87Å; Y199-V485 HydrophobicContact CE1-CG1 4.38Å; Y199-V485 HydrophobicContact CE1-CG2 4.06Å; Y199-D490 PolarHBondContact OH-OD1 2.91Å; Y199-D490 VanDerWaalsContact OH-OD1 3.13Å; Y199-R493 PolarHBondContact O-NE 3.48Å; Y199-R493 PolarHBondContact O-NH2 3.36Å
200I95.4Very high95.4Very high1 Ų140.3 Ų40.31%0.00520%0.195CC..Hα-helixtrans-89.5-16-171.6-154.766.4000113.3F196 E198 L242 P243 L331 V485F196-I200 HydrophobicContact CD1-CG2 4.21Å; F196-I200 HydrophobicContact CD2-CB 4.42Å; F196-I200 HydrophobicContact CE1-CB 4.31Å; F196-I200 HydrophobicContact CE1-CG2 3.73Å; F196-I200 HydrophobicContact CE2-CB 3.92Å; F196-I200 HydrophobicContact CE2-CD1 4.23Å; F196-I200 HydrophobicContact CE2-CG1 4.02Å; F196-I200 HydrophobicContact CE2-CG2 4.26Å; F196-I200 HydrophobicContact CZ-CB 3.86Å; F196-I200 HydrophobicContact CZ-CD1 4.46Å; F196-I200 HydrophobicContact CZ-CG1 3.84Å; F196-I200 HydrophobicContact CZ-CG2 3.75Å; F196-I200 VanDerWaalsContact O-CB 3.32Å; F196-I200 WeakPolarHBondContact O-CB 3.47Å; F196-I200 VanDerWaalsContact O-CG2 3.24Å; F196-I200 WeakPolarHBondContact O-CG2 3.47Å; F196-I200 PolarHBondContact O-N 3.36Å; E198-I200 PolarHBondContact O-N 2.94Å; I200-L242 HydrophobicContact CD1-CD2 4.49Å; I200-L242 HydrophobicContact CG1-CD2 3.67Å; I200-P243 HydrophobicContact CD1-CG 3.83Å; I200-L331 HydrophobicContact CG2-CB 4.1Å; I200-L331 HydrophobicContact CG2-CD1 3.9Å; I200-V485 HydrophobicContact CD1-CG2 3.99Å
201S94.3Very high95.4Very high19 Ų1942.6 Ų42.613%0.13321%0.208CC..SBendtrans-62.3155.8-179.1-77.70000112.2Y197 R203 R493Y197-S201 WeakPolarHBondContact O-CB 3.31Å; Y197-S201 PolarHBondContact O-N 3.44Å; Y197-S201 PolarHBondContact O-OG 3.37Å; S201-R203 PolarHBondContact O-N 2.99Å; S201-R493 PolarHBondContact O-NH2 3.13Å
202P92.1Very high95.3Very high41 Ų4143.6 Ų43.627%0.26621%0.212SC..PPolyproline II helixtrans-48.7125168.6-32.339.8000113.1Y241P202-Y241 HydrophobicContact CB-CD1 4.49Å; P202-Y241 HydrophobicContact CB-CE1 3.68Å; P202-Y241 HydrophobicContact CB-CE2 4.11Å; P202-Y241 HydrophobicContact CG-CD1 3.6Å; P202-Y241 HydrophobicContact CG-CD2 4.19Å; P202-Y241 HydrophobicContact CG-CE1 3.26Å; P202-Y241 HydrophobicContact CG-CE2 3.9Å; P202-Y241 HydrophobicContact CG-CG 4.08Å; P202-Y241 VanDerWaalsContact CG-CZ 3.48Å
203R93.7Very high95.2Very high59 Ų5943.6 Ų43.622%0.22321%0.212CC..PPolyproline II helixtrans-90.6152.3166.8-54177.4173.7174.9-6.2110.8S201 E205 E206 E207 E494S201-R203 PolarHBondContact O-N 2.99Å; R203-E205 VanDerWaalsContact CB-OE2 3.29Å; R203-E205 WeakPolarHBondContact CB-OE2 3.43Å; R203-E205 PolarHBondContact O-N 3.26Å; R203-E206 HydrophobicContact CB-CG 4.14Å; R203-E206 PolarHBondContact N-OE2 3.49Å; R203-E206 WeakPolarHBondContact O-CB 3.35Å; R203-E206 PolarHBondContact O-N 3.37Å; R203-E207 PolarHBondContact O-N 3.08Å; R203-E494 IonicContact CZ-OE1 3.83Å; R203-E494 IonicContact NH1-OE1 3.3Å; R203-E494 PolarHBondContact NH1-OE1 2.87Å; R203-E494 IonicContact NH2-OE1 3.52Å; R203-E494 PolarHBondContact NH2-OE1 3.08Å
204P93.8Very high95.1Very high92 Ų9244 Ų4460%0.59722%0.215SC*.Hα-helixtrans-57.3-32.1179.3-25.435.6000114E206 E207 K208P204-E206 VanDerWaalsContact C-N 3.34Å; P204-E207 PolarHBondContact O-N 3.42Å; P204-K208 WeakPolarHBondContact O-CB 3.36Å; P204-K208 PolarHBondContact O-N 2.92Å
205E94.8Very high95.1Very high45 Ų4543.8 Ų43.821%0.2122%0.218CC..Hα-helixtrans-68.8-35.3177.7-55.472.4-147.900111.3R203 M209 I496 R497 W500 D501R203-E205 VanDerWaalsContact CB-OE2 3.29Å; R203-E205 WeakPolarHBondContact CB-OE2 3.43Å; R203-E205 PolarHBondContact O-N 3.26Å; E205-M209 VanDerWaalsContact O-CB 3.27Å; E205-M209 WeakPolarHBondContact O-CB 3.48Å; E205-M209 PolarHBondContact O-N 3.33Å; E205-I496 HydrophobicContact CB-CG2 4.15Å; E205-R497 HydrophobicContact CG-CG 4.41Å; E205-W500 HydrophobicContact CB-CB 3.89Å; E205-W500 HydrophobicContact CG-CB 4.43Å; E205-D501 HydrophobicContact CG-CB 4.27Å
206E94.3Very high95Very high1 Ų146.2 Ų46.21%0.00523%0.226CC..Hα-helixtrans-73.7-38.1175.8-56.8-178.5114.300112R203 P204 R210 R493 I496R203-E206 HydrophobicContact CB-CG 4.14Å; R203-E206 PolarHBondContact N-OE2 3.49Å; R203-E206 WeakPolarHBondContact O-CB 3.35Å; R203-E206 PolarHBondContact O-N 3.37Å; P204-E206 VanDerWaalsContact C-N 3.34Å; E206-R210 VanDerWaalsContact O-CB 3.3Å; E206-R210 WeakPolarHBondContact O-CB 3.45Å; E206-R210 WeakPolarHBondContact O-CD 3.45Å; E206-R210 WeakPolarHBondContact O-CG 3.37Å; E206-R210 PolarHBondContact O-N 2.98Å; E206-R493 IonicContact OE1-CZ 2.7Å; E206-R493 IonicContact OE1-NH1 3.03Å; E206-R493 PolarHBondContact OE1-NH1 2.89Å; E206-R493 IonicContact OE2-CZ 2.95Å; E206-R493 IonicContact OE2-NH1 2.72Å; E206-R493 PolarHBondContact OE2-NH1 3.29Å; E206-R493 IonicContact OE2-NH2 3.29Å; E206-I496 HydrophobicContact CB-CG2 4.48Å; E206-I496 HydrophobicContact CG-CB 4.48Å; E206-I496 HydrophobicContact CG-CD1 3.95Å; E206-I496 HydrophobicContact CG-CG2 3.98Å
207E93.6Very high94.9Very high100 Ų10046.2 Ų46.247%0.46723%0.226SC..Hα-helixtrans-63.8-47.6173.6-178.3166.5-146.400110.7R203 P204 M209 R210 L211 F236R203-E207 PolarHBondContact O-N 3.08Å; P204-E207 PolarHBondContact O-N 3.42Å; E207-M209 PolarHBondContact O-N 3.33Å; E207-R210 PolarHBondContact O-N 3.24Å; E207-L211 HydrophobicContact CG-CD1 4.24Å; E207-L211 WeakPolarHBondContact O-CG 3.44Å; E207-L211 PolarHBondContact O-N 2.86Å; E207-F236 HydrophobicContact CG-CE2 4.16Å; E207-F236 HydrophobicContact CG-CZ 4.42Å
208K94.4Very high94.8Very high64 Ų6447.6 Ų47.628%0.27823%0.233SC..Hα-helixtrans-58.6-49.2175.4179.7176.7166.7-173.80112.1P204 R210 L211 E212P204-K208 WeakPolarHBondContact O-CB 3.36Å; P204-K208 PolarHBondContact O-N 2.92Å; K208-R210 VanDerWaalsContact C-N 3.3Å; K208-R210 PolarHBondContact O-N 3.1Å; K208-L211 PolarHBondContact O-N 3.24Å; K208-E212 WeakPolarHBondContact CE-OE1 3.25Å; K208-E212 PolarHBondContact O-N 2.74Å
209M95.1Very high94.8Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-57.2-43.8177.4177.6-81-75.800111.5E205 E207 E212 V213 T296 V298 I496 W500E205-M209 VanDerWaalsContact O-CB 3.27Å; E205-M209 WeakPolarHBondContact O-CB 3.48Å; E205-M209 PolarHBondContact O-N 3.33Å; E207-M209 PolarHBondContact O-N 3.33Å; M209-E212 PolarHBondContact O-N 3.31Å; M209-V213 WeakPolarHBondContact O-CG2 3.42Å; M209-V213 PolarHBondContact O-N 2.72Å; M209-V213 VanDerWaalsContact O-N 3.16Å; M209-V213 HydrophobicContact SD-CG2 4.16Å; M209-T296 HydrophobicContact CG-CG2 3.81Å; M209-T296 HydrophobicContact SD-CG2 3.63Å; M209-V298 HydrophobicContact CE-CG2 3.59Å; M209-V298 HydrophobicContact SD-CG2 3.57Å; M209-V298 VanDerWaalsContact SD-CG2 3.57Å; M209-I496 HydrophobicContact CB-CG2 4.19Å; M209-I496 HydrophobicContact CE-CD1 3.46Å; M209-I496 VanDerWaalsContact CE-CD1 3.46Å; M209-I496 HydrophobicContact CE-CG1 3.93Å; M209-I496 HydrophobicContact CE-CG2 4.5Å; M209-W500 HydrophobicContact CB-CD2 3.77Å; M209-W500 HydrophobicContact CB-CE3 4.06Å; M209-W500 HydrophobicContact CB-CG 4.24Å; M209-W500 HydrophobicContact CB-CH2 4.36Å; M209-W500 HydrophobicContact CB-CZ2 4.06Å; M209-W500 HydrophobicContact CB-CZ3 4.35Å; M209-W500 HydrophobicContact CG-CD2 4.08Å; M209-W500 HydrophobicContact CG-CE3 3.98Å; M209-W500 HydrophobicContact CG-CH2 3.6Å; M209-W500 HydrophobicContact CG-CZ2 3.66Å; M209-W500 HydrophobicContact CG-CZ3 3.76Å
210R95.6Very high94.7Very high3 Ų340.6 Ų40.61%0.01121%0.21CC..Hα-helixtrans-67.4-35.3177.6-73.3170.5173.7-93.9-3.1112.7E206 E207 K208 V213 V214 F236 P243 S245 I247E206-R210 VanDerWaalsContact O-CB 3.3Å; E206-R210 WeakPolarHBondContact O-CB 3.45Å; E206-R210 WeakPolarHBondContact O-CD 3.45Å; E206-R210 WeakPolarHBondContact O-CG 3.37Å; E206-R210 PolarHBondContact O-N 2.98Å; E207-R210 PolarHBondContact O-N 3.24Å; K208-R210 VanDerWaalsContact C-N 3.3Å; K208-R210 PolarHBondContact O-N 3.1Å; R210-V213 WeakPolarHBondContact O-CB 3.09Å; R210-V213 PolarHBondContact O-N 2.83Å; R210-V214 WeakPolarHBondContact O-CG2 3.47Å; R210-V214 PolarHBondContact O-N 3.05Å; R210-F236 HydrophobicContact CB-CE1 3.84Å; R210-F236 HydrophobicContact CB-CE2 3.86Å; R210-F236 HydrophobicContact CB-CZ 3.4Å; R210-P243 PolarHBondContact NH2-O 2.98Å; R210-S245 VanDerWaalsContact CZ-O 3.31Å; R210-S245 PolarHBondContact NH1-O 2.74Å; R210-S245 PolarHBondContact NH2-O 3.38Å; R210-I247 HydrophobicContact CB-CD1 3.81Å; R210-I247 HydrophobicContact CG-CD1 4.01Å; R210-I247 HydrophobicContact CG-CG1 4.48Å
211L95.1Very high94.7Very high80 Ų8040.6 Ų40.642%0.41921%0.209SC..Hα-helixtrans-63.9-40.1172.3-71.3170.4000111.8E207 K208 V213 V214 D215 F236E207-L211 HydrophobicContact CG-CD1 4.24Å; E207-L211 WeakPolarHBondContact O-CG 3.44Å; E207-L211 PolarHBondContact O-N 2.86Å; K208-L211 PolarHBondContact O-N 3.24Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 3.13Å; L211-V214 WeakPolarHBondContact O-CB 3.32Å; L211-V214 PolarHBondContact O-N 2.99Å; L211-V214 VanDerWaalsContact O-N 3.15Å; L211-D215 PolarHBondContact O-N 3.15Å; L211-F236 HydrophobicContact CD2-CE1 4.39Å; L211-F236 HydrophobicContact CD2-CZ 4.25Å; L211-F236 HydrophobicContact CG-CZ 4.22Å
212E95.1Very high94.7Very high57 Ų5743.6 Ų43.627%0.26622%0.22SC..Hα-helixtrans-64-35.4175.1-70172.8-155.700112.8K208 M209 R216 W500K208-E212 WeakPolarHBondContact CE-OE1 3.25Å; K208-E212 PolarHBondContact O-N 2.74Å; M209-E212 PolarHBondContact O-N 3.31Å; E212-R216 WeakPolarHBondContact O-CG 3.38Å; E212-R216 PolarHBondContact O-N 3Å; E212-R216 VanDerWaalsContact O-N 3.09Å; E212-R216 PolarHBondContact O-NH1 3.42Å; E212-W500 PolarHBondContact OE1-NE1 3.29Å; E212-W500 PolarHBondContact OE2-NE1 2.8Å
213V95.3Very high94.9Very high0 Ų047.9 Ų47.90%024%0.241CC..Hα-helixtrans-62.2-46.4170.4176.70000110.5M209 R210 L211 D215 R216 I217 I247 D293 T296 V298 V300M209-V213 WeakPolarHBondContact O-CG2 3.42Å; M209-V213 PolarHBondContact O-N 2.72Å; M209-V213 VanDerWaalsContact O-N 3.16Å; M209-V213 HydrophobicContact SD-CG2 4.16Å; R210-V213 WeakPolarHBondContact O-CB 3.09Å; R210-V213 PolarHBondContact O-N 2.83Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 3.13Å; V213-D215 PolarHBondContact O-N 2.84Å; V213-R216 PolarHBondContact O-N 2.91Å; V213-I217 HydrophobicContact CG1-CD1 3.95Å; V213-I217 WeakPolarHBondContact O-CG1 3.46Å; V213-I217 PolarHBondContact O-N 3.05Å; V213-I217 VanDerWaalsContact O-N 3.16Å; V213-I247 HydrophobicContact CB-CD1 4.24Å; V213-I247 HydrophobicContact CG1-CD1 4.21Å; V213-D293 HydrophobicContact CG1-CB 3.95Å; V213-D293 HydrophobicContact CG2-CB 4.31Å; V213-T296 HydrophobicContact CG2-CG2 3.99Å; V213-T296 WeakPolarHBondContact CG2-OG1 3.32Å; V213-V298 HydrophobicContact CG2-CB 4.37Å; V213-V300 HydrophobicContact CG1-CG2 3.83Å
214V95.8Very high94.9Very high10 Ų1047.3 Ų47.36%0.06124%0.242CC..Hα-helixtrans-60.8-45.9178.3171.40000111.3R210 L211 I217 K218 V232 F236 I247 L249R210-V214 WeakPolarHBondContact O-CG2 3.47Å; R210-V214 PolarHBondContact O-N 3.05Å; L211-V214 WeakPolarHBondContact O-CB 3.32Å; L211-V214 PolarHBondContact O-N 2.99Å; L211-V214 VanDerWaalsContact O-N 3.15Å; V214-I217 PolarHBondContact O-N 3.26Å; V214-K218 WeakPolarHBondContact O-CB 3.43Å; V214-K218 PolarHBondContact O-N 2.94Å; V214-V232 HydrophobicContact CG1-CG2 3.98Å; V214-V232 HydrophobicContact CG2-CG2 3.94Å; V214-F236 HydrophobicContact CG2-CE1 4.25Å; V214-I247 HydrophobicContact CG2-CD1 4.12Å; V214-I247 HydrophobicContact CG2-CG2 3.89Å; V214-L249 HydrophobicContact CG1-CD2 4.16Å; V214-L249 HydrophobicContact CG2-CD2 4.13Å
215D95.3Very high95Very high88 Ų8844.9 Ų44.947%0.47122%0.221SC..Hα-helixtrans-70.1-32-178.7-81.4-32.3000113L211 V213 K218 G219L211-D215 PolarHBondContact O-N 3.15Å; V213-D215 PolarHBondContact O-N 2.84Å; D215-K218 IonicContact OD1-NZ 2.62Å; D215-K218 PolarHBondContact OD1-NZ 3.32Å; D215-G219 PolarHBondContact O-N 3.38Å
216R94.5Very high95Very high77 Ų7747.3 Ų47.329%0.29124%0.241SC..Hα-helixtrans-58.2-52.8168.3-76.7-169.8-66.3-85.919.4111.6E212 V213 G219 V220 V272 D293E212-R216 WeakPolarHBondContact O-CG 3.38Å; E212-R216 PolarHBondContact O-N 3Å; E212-R216 VanDerWaalsContact O-N 3.09Å; E212-R216 PolarHBondContact O-NH1 3.42Å; V213-R216 PolarHBondContact O-N 2.91Å; R216-G219 PolarHBondContact O-N 3.03Å; R216-V220 PolarHBondContact O-N 3.24Å; R216-V272 HydrophobicContact CB-CG1 4.14Å; R216-D293 IonicContact CZ-OD1 2.67Å; R216-D293 VanDerWaalsContact CZ-OD1 3.3Å; R216-D293 IonicContact NE-OD1 2.71Å; R216-D293 PolarHBondContact NE-OD1 3.15Å; R216-D293 IonicContact NH2-OD1 3.55Å; R216-D293 PolarHBondContact NH2-OD1 3.18Å; R216-D293 IonicContact NH2-OD2 2.71Å; R216-D293 PolarHBondContact NH2-OD2 2.91Å
217I95.1Very high94.9Very high0 Ų052.9 Ų52.90%028%0.279CS..Hα-helixtrans-65.1-42.9-178-67.6171.4000111V213 V214 G219 V220 I221 L249 L267 V272 L291 V300 I302V213-I217 HydrophobicContact CG1-CD1 3.95Å; V213-I217 WeakPolarHBondContact O-CG1 3.46Å; V213-I217 PolarHBondContact O-N 3.05Å; V213-I217 VanDerWaalsContact O-N 3.16Å; V214-I217 PolarHBondContact O-N 3.26Å; I217-G219 VanDerWaalsContact C-N 3.31Å; I217-G219 PolarHBondContact O-N 2.94Å; I217-V220 PolarHBondContact O-N 3.13Å; I217-I221 HydrophobicContact CG2-CD1 3.75Å; I217-I221 HydrophobicContact CG2-CG1 4.5Å; I217-I221 WeakPolarHBondContact O-CG1 3.39Å; I217-I221 PolarHBondContact O-N 2.72Å; I217-L249 HydrophobicContact CB-CD1 4.34Å; I217-L249 HydrophobicContact CD1-CD1 4.38Å; I217-L249 HydrophobicContact CG2-CD1 3.78Å; I217-L267 HydrophobicContact CG2-CD2 4.46Å; I217-V272 HydrophobicContact CG1-CG1 3.71Å; I217-L291 HydrophobicContact CD1-CD1 4.08Å; I217-V300 HydrophobicContact CD1-CB 4.14Å; I217-V300 HydrophobicContact CD1-CG1 3.87Å; I217-V300 HydrophobicContact CD1-CG2 3.88Å; I217-I302 HydrophobicContact CG2-CD1 3.76Å
218K95.5Very high95Very high78 Ų7848.1 Ų48.134%0.33926%0.257SS..Hα-helixtrans-63.2-34.5176.2177173.4152.2-149.60112.3V214 D215 I221 K222 V230V214-K218 WeakPolarHBondContact O-CB 3.43Å; V214-K218 PolarHBondContact O-N 2.94Å; D215-K218 IonicContact OD1-NZ 2.62Å; D215-K218 PolarHBondContact OD1-NZ 3.32Å; K218-I221 PolarHBondContact O-N 3.13Å; K218-K222 VanDerWaalsContact O-CB 3.31Å; K218-K222 WeakPolarHBondContact O-CB 3.39Å; K218-K222 WeakPolarHBondContact O-CG 3.48Å; K218-K222 PolarHBondContact O-N 3.43Å; K218-V230 HydrophobicContact CB-CG1 4.47Å; K218-V230 HydrophobicContact CD-CB 4.46Å; K218-V230 HydrophobicContact CG-CB 4.21Å; K218-V230 HydrophobicContact CG-CG2 4.36Å
219G95.3Very high94.9Very high30 Ų3049.9 Ų49.931%0.30927%0.266SS..Hα-helixtrans-59.3-50.3170.200000112.4D215 R216 I217 I221 K222 N223D215-G219 PolarHBondContact O-N 3.38Å; R216-G219 PolarHBondContact O-N 3.03Å; I217-G219 VanDerWaalsContact C-N 3.31Å; I217-G219 PolarHBondContact O-N 2.94Å; G219-I221 PolarHBondContact O-N 3.14Å; G219-K222 PolarHBondContact O-N 2.9Å; G219-N223 VanDerWaalsContact O-CG 3.23Å; G219-N223 PolarHBondContact O-N 2.96Å; G219-N223 PolarHBondContact O-ND2 3.12Å
220V95.1Very high94.8Very high8 Ų851 Ų515%0.04827%0.273CS..Hα-helixtrans-59.6-46.2175.9178.70000111.5R216 I217 K222 N223 L224 E266 L267 N270 V272R216-V220 PolarHBondContact O-N 3.24Å; I217-V220 PolarHBondContact O-N 3.13Å; V220-K222 PolarHBondContact O-N 3.22Å; V220-N223 PolarHBondContact O-N 3.15Å; V220-L224 PolarHBondContact O-N 2.91Å; V220-L224 VanDerWaalsContact O-N 3.16Å; V220-E266 HydrophobicContact CG1-CB 4.08Å; V220-E266 HydrophobicContact CG1-CG 3.74Å; V220-L267 HydrophobicContact CB-CD2 4.35Å; V220-L267 HydrophobicContact CG1-CD2 4.19Å; V220-N270 HydrophobicContact CG2-CB 3.79Å; V220-V272 HydrophobicContact CG2-CG2 3.81Å
221I95.1Very high94.7Very high0 Ų053.6 Ų53.60%029%0.286CS..Hα-helixtrans-62-41.8178.4-66.9164.1000111.4I217 K218 G219 L224 W225 A228 V230 V251 L263I217-I221 HydrophobicContact CG2-CD1 3.75Å; I217-I221 HydrophobicContact CG2-CG1 4.5Å; I217-I221 WeakPolarHBondContact O-CG1 3.39Å; I217-I221 PolarHBondContact O-N 2.72Å; K218-I221 PolarHBondContact O-N 3.13Å; G219-I221 PolarHBondContact O-N 3.14Å; I221-L224 PolarHBondContact O-N 2.96Å; I221-W225 HydrophobicContact CG2-CE3 4.32Å; I221-W225 PolarHBondContact O-N 2.84Å; I221-A228 HydrophobicContact CG2-CB 4.4Å; I221-V230 HydrophobicContact CB-CG2 4.08Å; I221-V230 HydrophobicContact CD1-CG1 4.42Å; I221-V230 HydrophobicContact CD1-CG2 3.88Å; I221-V230 HydrophobicContact CG2-CG2 3.6Å; I221-V251 HydrophobicContact CD1-CG2 3.87Å; I221-V251 HydrophobicContact CG2-CG1 3.81Å; I221-L263 HydrophobicContact CD1-CD2 4.35Å; I221-L263 HydrophobicContact CG1-CD1 3.69Å; I221-L263 HydrophobicContact CG1-CD2 4.14Å
222K94.8Very high94.5Very high82 Ų8251.9 Ų51.936%0.35728%0.278SS..Hα-helixtrans-69.9-29.6177.9-78.7-61.3-157.6-179.60113.3K218 G219 V220 W225 P226 A228K218-K222 VanDerWaalsContact O-CB 3.31Å; K218-K222 WeakPolarHBondContact O-CB 3.39Å; K218-K222 WeakPolarHBondContact O-CG 3.48Å; K218-K222 PolarHBondContact O-N 3.43Å; G219-K222 PolarHBondContact O-N 2.9Å; V220-K222 PolarHBondContact O-N 3.22Å; K222-W225 CarbonylContact O-C 3.58Å; K222-P226 PolarHBondContact NZ-O 2.94Å; K222-P226 VanDerWaalsContact O-CA 3.31Å; K222-P226 WeakPolarHBondContact O-CA 3.5Å; K222-P226 WeakPolarHBondContact O-CD 3.5Å; K222-P226 WeakPolarHBondContact O-CG 3.26Å; K222-P226 VanDerWaalsContact O-N 3.17Å; K222-A228 VanDerWaalsContact CE-O 3.29Å; K222-A228 WeakPolarHBondContact CE-O 3.5Å; K222-A228 PolarHBondContact NZ-O 3.39Å
223N95Very high94.1Very high132 Ų13250.7 Ų50.771%0.70627%0.272SS*.Hα-helixtrans-69.3-36.9173.3-69.9-16.8000112G219 V220G219-N223 VanDerWaalsContact O-CG 3.23Å; G219-N223 PolarHBondContact O-N 2.96Å; G219-N223 PolarHBondContact O-ND2 3.12Å; V220-N223 PolarHBondContact O-N 3.15Å
224L94.3Very high93.7Very high46 Ų4651.6 Ų51.624%0.24128%0.282CS..Hα-helixtrans-71.7-48.4171.7-73.2176.9000112.6V220 I221 L263 E266V220-L224 PolarHBondContact O-N 2.91Å; V220-L224 VanDerWaalsContact O-N 3.16Å; I221-L224 PolarHBondContact O-N 2.96Å; L224-L263 HydrophobicContact CD1-CD1 4Å; L224-E266 HydrophobicContact CD1-CB 3.74Å; L224-E266 HydrophobicContact CD1-CG 4.03Å; L224-E266 HydrophobicContact CD2-CB 4.1Å; L224-E266 HydrophobicContact CD2-CG 3.8Å; L224-E266 HydrophobicContact CG-CB 4.14Å; L224-E266 HydrophobicContact CG-CG 3.86Å
225W95.8Very high93.2Very high42 Ų4251.5 Ų51.516%0.15928%0.282CS..  trans-136.483.5-170-55.9-54.8000110.3I221 K222 S227 A228 W255 P259 T262 L263 F304I221-W225 HydrophobicContact CG2-CE3 4.32Å; I221-W225 PolarHBondContact O-N 2.84Å; K222-W225 CarbonylContact O-C 3.58Å; W225-S227 PolarHBondContact O-N 3.38Å; W225-A228 HydrophobicContact CB-CB 3.64Å; W225-A228 WeakPolarHBondContact O-CB 3.3Å; W225-A228 PolarHBondContact O-N 3.11Å; W225-W255 AromaticContact CD1-NE1 3.85Å; W225-W255 AromaticContact CD2-CZ2 3.9Å; W225-W255 HydrophobicContact CD2-CZ2 3.9Å; W225-W255 AromaticContact CD2-NE1 3.89Å; W225-W255 AromaticContact CE2-NE1 3.69Å; W225-W255 AromaticContact CE3-CZ2 3.93Å; W225-W255 HydrophobicContact CE3-CZ2 3.93Å; W225-W255 HydrophobicContact CG-CZ2 4.15Å; W225-W255 AromaticContact NE1-NE1 3.63Å; W225-P259 HydrophobicContact CH2-CB 3.64Å; W225-P259 HydrophobicContact CH2-CG 3.45Å; W225-P259 VanDerWaalsContact CH2-CG 3.45Å; W225-P259 HydrophobicContact CZ2-CB 3.51Å; W225-P259 HydrophobicContact CZ2-CG 3.61Å; W225-P259 HydrophobicContact CZ3-CG 4.08Å; W225-T262 HydrophobicContact CH2-CG2 4.41Å; W225-T262 HydrophobicContact CZ2-CG2 3.93Å; W225-L263 HydrophobicContact CH2-CB 4.02Å; W225-L263 HydrophobicContact CZ3-CB 4.13Å; W225-L263 HydrophobicContact CZ3-CD1 4.39Å; W225-F304 HydrophobicContact CZ3-CE1 4.17Å; W225-F304 HydrophobicContact CZ3-CZ 4.27Å
226P94.4Very high92.9Very high96 Ų9648 Ų4862%0.62326%0.262SS*.THydrogen-bonded Turntrans-56.4-29.5-178-2834.9000114.1K222K222-P226 PolarHBondContact NZ-O 2.94Å; K222-P226 VanDerWaalsContact O-CA 3.31Å; K222-P226 WeakPolarHBondContact O-CA 3.5Å; K222-P226 WeakPolarHBondContact O-CD 3.5Å; K222-P226 WeakPolarHBondContact O-CG 3.26Å; K222-P226 VanDerWaalsContact O-N 3.17Å
227S93.9Very high92.4Very high117 Ų11745.8 Ų45.882%0.81826%0.259SS*.THydrogen-bonded Turntrans-85.3-8.7177.653.70000115W225W225-S227 PolarHBondContact O-N 3.38Å
228A94.6Very high92.1Very high1 Ų146.1 Ų46.11%0.00826%0.26CS..  trans-74.6142.7175.900000110.9I221 K222 W225 V251 F252 W255I221-A228 HydrophobicContact CG2-CB 4.4Å; K222-A228 VanDerWaalsContact CE-O 3.29Å; K222-A228 WeakPolarHBondContact CE-O 3.5Å; K222-A228 PolarHBondContact NZ-O 3.39Å; W225-A228 HydrophobicContact CB-CB 3.64Å; W225-A228 WeakPolarHBondContact O-CB 3.3Å; W225-A228 PolarHBondContact O-N 3.11Å; A228-V251 HydrophobicContact CB-CG1 4.06Å; A228-F252 CarbonylContact C-O 3.53Å; A228-F252 VanDerWaalsContact CA-O 3.29Å; A228-F252 WeakPolarHBondContact CA-O 3.36Å; A228-W255 HydrophobicContact CB-CH2 4.17Å; A228-W255 HydrophobicContact CB-CZ2 4.1Å
229E92.8Very high91.7Very high100 Ų10043.7 Ų43.747%0.46726%0.258SS..EExtended strand (participates in β ladder)trans-101.4142175.1-172.9-175.7171.400109.5Q231 V251 F252E229-Q231 HydrophobicContact CG-CG 4.38Å; E229-Q231 PolarHBondContact OE1-NE2 3.06Å; E229-V251 CarbonylContact O-C 3.35Å; E229-V251 WeakPolarHBondContact O-CA 3.45Å; E229-F252 HydrophobicContact CB-CB 4.27Å; E229-F252 PolarHBondContact N-O 3.14Å; E229-F252 PolarHBondContact O-N 3.09Å
230V93.5Very high91.5Very high23 Ų2342.4 Ų42.414%0.13924%0.244CC..EExtended strand (participates in β ladder)trans-123121.2178.9-177.70000108.1K218 I221 L249 V250 V251K218-V230 HydrophobicContact CB-CG1 4.47Å; K218-V230 HydrophobicContact CD-CB 4.46Å; K218-V230 HydrophobicContact CG-CB 4.21Å; K218-V230 HydrophobicContact CG-CG2 4.36Å; I221-V230 HydrophobicContact CB-CG2 4.08Å; I221-V230 HydrophobicContact CD1-CG1 4.42Å; I221-V230 HydrophobicContact CD1-CG2 3.88Å; I221-V230 HydrophobicContact CG2-CG2 3.6Å; V230-L249 HydrophobicContact CG1-CD2 4.27Å; V230-V250 WeakPolarHBondContact CA-O 3.25Å; V230-V251 HydrophobicContact CG2-CG1 4.29Å
231Q91.8Very high91.3Very high59 Ų5942.2 Ų42.228%0.27624%0.242SC..EExtended strand (participates in β ladder)trans-121.7143.7176.3-62.1-1746.700110.9E229 V250 F252 V310E229-Q231 HydrophobicContact CG-CG 4.38Å; E229-Q231 PolarHBondContact OE1-NE2 3.06Å; Q231-V250 HydrophobicContact CB-CG1 3.95Å; Q231-V250 PolarHBondContact N-O 3.41Å; Q231-V250 PolarHBondContact O-N 3.16Å; Q231-F252 HydrophobicContact CB-CE2 4.42Å; Q231-F252 HydrophobicContact CG-CD2 4.41Å; Q231-F252 HydrophobicContact CG-CE2 4.2Å; Q231-V310 VanDerWaalsContact OE1-CG2 3.23Å
232V91.6Very high91.3Very high44 Ų4442.4 Ų42.427%0.26724%0.243SC..EExtended strand (participates in β ladder)trans-81.3137.5166.8175.80000108.7V214 F236 D248 L249V214-V232 HydrophobicContact CG1-CG2 3.98Å; V214-V232 HydrophobicContact CG2-CG2 3.94Å; V232-F236 HydrophobicContact CG1-CB 3.96Å; V232-F236 HydrophobicContact CG1-CD1 3.47Å; V232-F236 VanDerWaalsContact CG1-CD1 3.47Å; V232-F236 HydrophobicContact CG1-CE1 4.33Å; V232-F236 HydrophobicContact CG1-CG 4.04Å; V232-F236 HydrophobicContact CG2-CD1 4.37Å; V232-D248 WeakPolarHBondContact CA-O 3.44Å; V232-L249 HydrophobicContact CB-CD2 4.47Å; V232-L249 HydrophobicContact CG2-CD2 3.75Å
233F87.5Confident91.1Very high31 Ų3138.5 Ų38.514%0.13623%0.227CC..  trans-129.4-158.7170.871.3-85000112.1S237 D248 L249 V250F233-S237 WeakPolarHBondContact CA-OG 3.48Å; F233-S237 WeakPolarHBondContact O-CB 3.32Å; F233-S237 PolarHBondContact O-N 3.33Å; F233-S237 PolarHBondContact O-OG 2.91Å; F233-D248 HydrophobicContact CD1-CB 3.85Å; F233-D248 HydrophobicContact CD2-CB 3.82Å; F233-D248 HydrophobicContact CE1-CB 3.83Å; F233-D248 HydrophobicContact CE2-CB 3.78Å; F233-D248 HydrophobicContact CG-CB 3.85Å; F233-D248 HydrophobicContact CZ-CB 3.8Å; F233-D248 PolarHBondContact N-O 3.14Å; F233-L249 VanDerWaalsContact CE1-C 3.46Å; F233-V250 HydrophobicContact CD1-CB 3.84Å; F233-V250 HydrophobicContact CD1-CG1 3.87Å; F233-V250 HydrophobicContact CE1-CB 3.8Å; F233-V250 HydrophobicContact CE1-CG1 4.35Å
234G87Confident90.9Very high19 Ų1933.8 Ų33.820%0.19620%0.203CC..Hα-helixtrans58.5-139.816700000114.9F236 S237 T238 D248G234-F236 PolarHBondContact O-N 2.84Å; G234-S237 PolarHBondContact N-OG 3.4Å; G234-S237 PolarHBondContact O-N 2.9Å; G234-S237 PolarHBondContact O-OG 3.44Å; G234-T238 PolarHBondContact O-N 2.9Å; G234-T238 PolarHBondContact O-OG1 3.28Å; G234-D248 VanDerWaalsContact CA-OD2 3.32Å; G234-D248 WeakPolarHBondContact CA-OD2 3.48Å
235S85.1Confident90.9Very high9 Ų932.5 Ų32.56%0.06320%0.197CC..Hα-helixtrans-70.7-30.9-167.572.10000113.6T238 G239 L240 Y241 D248S235-T238 PolarHBondContact O-OG1 3.24Å; S235-G239 PolarHBondContact O-N 2.98Å; S235-L240 PolarHBondContact O-N 3.43Å; S235-Y241 WeakPolarHBondContact OG-CB 3.48Å; S235-D248 PolarHBondContact N-OD2 3.43Å; S235-D248 VanDerWaalsContact N-OD2 3.15Å
236F88.4Confident90.7Very high14 Ų1432.5 Ų32.56%0.06120%0.2CC..Hα-helixtrans-67.4-52.7175.5-170.7-151.7000110.8E207 R210 L211 V214 V232 G234 T238 G239 Y241 I247E207-F236 HydrophobicContact CG-CE2 4.16Å; E207-F236 HydrophobicContact CG-CZ 4.42Å; R210-F236 HydrophobicContact CB-CE1 3.84Å; R210-F236 HydrophobicContact CB-CE2 3.86Å; R210-F236 HydrophobicContact CB-CZ 3.4Å; L211-F236 HydrophobicContact CD2-CE1 4.39Å; L211-F236 HydrophobicContact CD2-CZ 4.25Å; L211-F236 HydrophobicContact CG-CZ 4.22Å; V214-F236 HydrophobicContact CG2-CE1 4.25Å; V232-F236 HydrophobicContact CG1-CB 3.96Å; V232-F236 HydrophobicContact CG1-CD1 3.47Å; V232-F236 VanDerWaalsContact CG1-CD1 3.47Å; V232-F236 HydrophobicContact CG1-CE1 4.33Å; V232-F236 HydrophobicContact CG1-CG 4.04Å; V232-F236 HydrophobicContact CG2-CD1 4.37Å; G234-F236 PolarHBondContact O-N 2.84Å; F236-T238 PolarHBondContact O-N 3.05Å; F236-G239 PolarHBondContact O-N 3.19Å; F236-G239 VanDerWaalsContact O-N 3.12Å; F236-Y241 AromaticContact CD2-CD1 3.99Å; F236-Y241 HydrophobicContact CD2-CD1 3.99Å; F236-Y241 AromaticContact CD2-CE1 3.46Å; F236-Y241 HydrophobicContact CD2-CE1 3.46Å; F236-Y241 VanDerWaalsContact CD2-CE1 3.46Å; F236-Y241 AromaticContact CD2-CZ 3.82Å; F236-Y241 AromaticContact CE2-CE1 3.98Å; F236-Y241 HydrophobicContact CE2-CE1 3.98Å; F236-Y241 AromaticContact CE2-CZ 4Å; F236-I247 HydrophobicContact CD1-CD1 4.49Å; F236-I247 HydrophobicContact CD1-CG1 4.27Å; F236-I247 HydrophobicContact CD1-CG2 3.96Å; F236-I247 HydrophobicContact CE1-CD1 4.47Å
237S84.2Confident90.7Very high31 Ų3128 Ų2822%0.21717%0.171CC..Hα-helixtrans-60.1-15.6-179.171.80000116F233 G234 A313 K317F233-S237 WeakPolarHBondContact CA-OG 3.48Å; F233-S237 WeakPolarHBondContact O-CB 3.32Å; F233-S237 PolarHBondContact O-N 3.33Å; F233-S237 PolarHBondContact O-OG 2.91Å; G234-S237 PolarHBondContact N-OG 3.4Å; G234-S237 PolarHBondContact O-N 2.9Å; G234-S237 PolarHBondContact O-OG 3.44Å; S237-A313 WeakPolarHBondContact OG-CB 3.34Å; S237-K317 WeakPolarHBondContact O-CE 3.48Å; S237-K317 PolarHBondContact O-NZ 3.31Å
238T88Confident90.7Very high6 Ų623.9 Ų23.94%0.03714%0.14CC..THydrogen-bonded Turntrans-108.4-6.4-176.150.50000113.5G234 S235 F236 L240 A313 I316 K320G234-T238 PolarHBondContact O-N 2.9Å; G234-T238 PolarHBondContact O-OG1 3.28Å; S235-T238 PolarHBondContact O-OG1 3.24Å; F236-T238 PolarHBondContact O-N 3.05Å; T238-L240 PolarHBondContact O-N 3.08Å; T238-A313 HydrophobicContact CG2-CB 3.81Å; T238-I316 HydrophobicContact CG2-CB 3.78Å; T238-I316 HydrophobicContact CG2-CD1 4.03Å; T238-I316 HydrophobicContact CG2-CG2 3.52Å; T238-K320 PolarHBondContact O-NZ 2.72Å
239G87.5Confident90.7Very high28 Ų2823.8 Ų23.829%0.28914%0.139SC..THydrogen-bonded Turntrans59.334.9-173.900000112.6S235 F236S235-G239 PolarHBondContact O-N 2.98Å; F236-G239 PolarHBondContact O-N 3.19Å; F236-G239 VanDerWaalsContact O-N 3.12Å
240L90.7Very high90.7Very high2 Ų219 Ų191%0.0112%0.117CC..  trans-12641.9176.9-67.8-177.9000110.4S235 T238 I316 K320 P327 V330 K334 F356S235-L240 PolarHBondContact O-N 3.43Å; T238-L240 PolarHBondContact O-N 3.08Å; L240-I316 HydrophobicContact CD1-CG2 3.81Å; L240-K320 HydrophobicContact CD1-CD 3.89Å; L240-K320 HydrophobicContact CD1-CG 4.18Å; L240-K320 HydrophobicContact CD2-CD 4.35Å; L240-K320 HydrophobicContact CG-CD 4.05Å; L240-P327 HydrophobicContact CD2-CB 3.86Å; L240-P327 HydrophobicContact CD2-CG 4.45Å; L240-V330 HydrophobicContact CD1-CG1 4.32Å; L240-K334 PolarHBondContact O-NZ 3.42Å; L240-F356 HydrophobicContact CD1-CD2 4.1Å; L240-F356 HydrophobicContact CD1-CE2 3.84Å
241Y92.4Very high90.7Very high4 Ų418 Ų182%0.01611%0.11CC..  trans-102.6154.2176.767.7-90.4000111.1P202 S235 F236P202-Y241 HydrophobicContact CB-CD1 4.49Å; P202-Y241 HydrophobicContact CB-CE1 3.68Å; P202-Y241 HydrophobicContact CB-CE2 4.11Å; P202-Y241 HydrophobicContact CG-CD1 3.6Å; P202-Y241 HydrophobicContact CG-CD2 4.19Å; P202-Y241 HydrophobicContact CG-CE1 3.26Å; P202-Y241 HydrophobicContact CG-CE2 3.9Å; P202-Y241 HydrophobicContact CG-CG 4.08Å; P202-Y241 VanDerWaalsContact CG-CZ 3.48Å; S235-Y241 WeakPolarHBondContact OG-CB 3.48Å; F236-Y241 AromaticContact CD2-CD1 3.99Å; F236-Y241 HydrophobicContact CD2-CD1 3.99Å; F236-Y241 AromaticContact CD2-CE1 3.46Å; F236-Y241 HydrophobicContact CD2-CE1 3.46Å; F236-Y241 VanDerWaalsContact CD2-CE1 3.46Å; F236-Y241 AromaticContact CD2-CZ 3.82Å; F236-Y241 AromaticContact CE2-CE1 3.98Å; F236-Y241 HydrophobicContact CE2-CE1 3.98Å; F236-Y241 AromaticContact CE2-CZ 4Å
242L93.4Very high90.7Very high4 Ų416.4 Ų16.42%0.02110%0.103CC..  trans-93.7158.9170.4-64.1172.8000109I200 T244 S245 L331 K334 Q335 L338I200-L242 HydrophobicContact CD1-CD2 4.49Å; I200-L242 HydrophobicContact CG1-CD2 3.67Å; L242-T244 PolarHBondContact O-N 2.92Å; L242-S245 PolarHBondContact N-OG 3.33Å; L242-S245 VanDerWaalsContact O-CB 3.28Å; L242-S245 WeakPolarHBondContact O-CB 3.34Å; L242-S245 PolarHBondContact O-N 3.15Å; L242-S245 PolarHBondContact O-OG 2.97Å; L242-L331 HydrophobicContact CD2-CD2 4.3Å; L242-K334 HydrophobicContact CD1-CB 3.86Å; L242-K334 HydrophobicContact CG-CB 4.31Å; L242-Q335 HydrophobicContact CD1-CB 4.41Å; L242-Q335 HydrophobicContact CD2-CB 4.43Å; L242-L338 HydrophobicContact CD1-CB 4.39Å; L242-L338 HydrophobicContact CD1-CD2 3.65Å
243P92.1Very high90.8Very high1 Ų115.3 Ų15.31%0.00610%0.1CC..THydrogen-bonded Turntrans-45.2-39.3175.710.1-27.9000114.5I200 R210 V489 R493I200-P243 HydrophobicContact CD1-CG 3.83Å; R210-P243 PolarHBondContact NH2-O 2.98Å; P243-V489 HydrophobicContact CB-CG1 4.1Å; P243-V489 HydrophobicContact CG-CG1 3.79Å; P243-R493 HydrophobicContact CB-CG 3.93Å
244T90.9Very high90.9Very high33 Ų3323.9 Ų23.920%0.20214%0.137CC..THydrogen-bonded Turntrans-92.41.9-17949.10000115.1K147 L242 L338 V489K147-T244 HydrophobicContact CB-CG2 4.43Å; L242-T244 PolarHBondContact O-N 2.92Å; T244-L338 WeakPolarHBondContact OG1-CD2 3.28Å; T244-V489 HydrophobicContact CG2-CB 4.45Å; T244-V489 HydrophobicContact CG2-CG1 4.09Å; T244-V489 HydrophobicContact CG2-CG2 3.52Å
245S92.9Very high91.1Very high18 Ų1825.5 Ų25.513%0.12614%0.138CC..PPolyproline II helixtrans-66.5151.3178.1-730000112.4R210 L242R210-S245 VanDerWaalsContact CZ-O 3.31Å; R210-S245 PolarHBondContact NH1-O 2.74Å; R210-S245 PolarHBondContact NH2-O 3.38Å; L242-S245 PolarHBondContact N-OG 3.33Å; L242-S245 VanDerWaalsContact O-CB 3.28Å; L242-S245 WeakPolarHBondContact O-CB 3.34Å; L242-S245 PolarHBondContact O-N 3.15Å; L242-S245 PolarHBondContact O-OG 2.97Å
246D93Very high91.1Very high43 Ų4333.5 Ų33.523%0.2318%0.18CC..PPolyproline II helixtrans-65.9164.9171.228.716.4000113.4K299D246-K299 CarbonylContact C-O 3.5Å; D246-K299 VanDerWaalsContact CA-O 3.22Å; D246-K299 WeakPolarHBondContact CA-O 3.44Å; D246-K299 HydrophobicContact CB-CB 4.21Å
247I94Very high91Very high0 Ų038.4 Ų38.40%021%0.211CC..EExtended strand (participates in β ladder)trans-102.5120.4163.1-60177.7000108.6R210 V213 V214 F236 L249 V298 K299 V300 D301R210-I247 HydrophobicContact CB-CD1 3.81Å; R210-I247 HydrophobicContact CG-CD1 4.01Å; R210-I247 HydrophobicContact CG-CG1 4.48Å; V213-I247 HydrophobicContact CB-CD1 4.24Å; V213-I247 HydrophobicContact CG1-CD1 4.21Å; V214-I247 HydrophobicContact CG2-CD1 4.12Å; V214-I247 HydrophobicContact CG2-CG2 3.89Å; F236-I247 HydrophobicContact CD1-CD1 4.49Å; F236-I247 HydrophobicContact CD1-CG1 4.27Å; F236-I247 HydrophobicContact CD1-CG2 3.96Å; F236-I247 HydrophobicContact CE1-CD1 4.47Å; I247-L249 HydrophobicContact CG2-CD2 4.17Å; I247-L249 HydrophobicContact CG2-CG 4.11Å; I247-V298 HydrophobicContact CD1-CG1 3.73Å; I247-V298 HydrophobicContact CG1-CG1 3.82Å; I247-K299 PolarHBondContact N-O 3.31Å; I247-V300 HydrophobicContact CB-CG1 4.23Å; I247-V300 HydrophobicContact CB-CG2 4.24Å; I247-V300 WeakPolarHBondContact O-CA 3.22Å; I247-V300 WeakPolarHBondContact O-CG1 3.38Å; I247-D301 PolarHBondContact O-N 2.96Å
248D93.3Very high91.3Very high31 Ų3140.1 Ų40.117%0.16622%0.217CC..EExtended strand (participates in β ladder)trans-83.1115.7172.3-60-81.6000110.8V232 F233 G234 S235V232-D248 WeakPolarHBondContact CA-O 3.44Å; F233-D248 HydrophobicContact CD1-CB 3.85Å; F233-D248 HydrophobicContact CD2-CB 3.82Å; F233-D248 HydrophobicContact CE1-CB 3.83Å; F233-D248 HydrophobicContact CE2-CB 3.78Å; F233-D248 HydrophobicContact CG-CB 3.85Å; F233-D248 HydrophobicContact CZ-CB 3.8Å; F233-D248 PolarHBondContact N-O 3.14Å; G234-D248 VanDerWaalsContact CA-OD2 3.32Å; G234-D248 WeakPolarHBondContact CA-OD2 3.48Å; S235-D248 PolarHBondContact N-OD2 3.43Å; S235-D248 VanDerWaalsContact N-OD2 3.15Å
249L93.8Very high91.5Very high0 Ų040.5 Ų40.50%022%0.22CC..EExtended strand (participates in β ladder)trans-115.6135.2174.8-70.6-176.7000112.1V214 I217 V230 V232 F233 I247 V300 D301 I302 S303V214-L249 HydrophobicContact CG1-CD2 4.16Å; V214-L249 HydrophobicContact CG2-CD2 4.13Å; I217-L249 HydrophobicContact CB-CD1 4.34Å; I217-L249 HydrophobicContact CD1-CD1 4.38Å; I217-L249 HydrophobicContact CG2-CD1 3.78Å; V230-L249 HydrophobicContact CG1-CD2 4.27Å; V232-L249 HydrophobicContact CB-CD2 4.47Å; V232-L249 HydrophobicContact CG2-CD2 3.75Å; F233-L249 VanDerWaalsContact CE1-C 3.46Å; I247-L249 HydrophobicContact CG2-CD2 4.17Å; I247-L249 HydrophobicContact CG2-CG 4.11Å; L249-V300 HydrophobicContact CD1-CG1 3.8Å; L249-V300 HydrophobicContact CG-CG1 4.06Å; L249-D301 PolarHBondContact N-O 2.87Å; L249-I302 HydrophobicContact CB-CG1 4.32Å; L249-I302 HydrophobicContact CD1-CG1 4.4Å; L249-I302 WeakPolarHBondContact O-CA 3.09Å; L249-S303 PolarHBondContact O-N 2.98Å; L249-S303 PolarHBondContact O-OG 3.11Å; L249-S303 VanDerWaalsContact O-OG 3.1Å
250V93Very high91.7Very high0 Ų039.7 Ų39.70%021%0.209CC..EExtended strand (participates in β ladder)trans-117130.6169.4620000110.3V230 Q231 F233 F252 S303 V306V230-V250 WeakPolarHBondContact CA-O 3.25Å; Q231-V250 HydrophobicContact CB-CG1 3.95Å; Q231-V250 PolarHBondContact N-O 3.41Å; Q231-V250 PolarHBondContact O-N 3.16Å; F233-V250 HydrophobicContact CD1-CB 3.84Å; F233-V250 HydrophobicContact CD1-CG1 3.87Å; F233-V250 HydrophobicContact CE1-CB 3.8Å; F233-V250 HydrophobicContact CE1-CG1 4.35Å; V250-F252 HydrophobicContact CB-CE2 4.4Å; V250-F252 HydrophobicContact CB-CZ 4.34Å; V250-F252 HydrophobicContact CG1-CD2 4.34Å; V250-F252 HydrophobicContact CG1-CE2 3.5Å; V250-F252 HydrophobicContact CG1-CZ 3.71Å; V250-F252 HydrophobicContact CG2-CD1 4.37Å; V250-F252 HydrophobicContact CG2-CE1 3.84Å; V250-F252 HydrophobicContact CG2-CE2 4.02Å; V250-F252 HydrophobicContact CG2-CZ 3.64Å; V250-S303 WeakPolarHBondContact CA-O 3.32Å; V250-V306 HydrophobicContact CG2-CB 4.09Å
251V94.2Very high91.8Very high0 Ų046.5 Ų46.50%024%0.235CC..EExtended strand (participates in β ladder)trans-104.5119.4174.6-163.50000109I221 A228 E229 V230 W255 I302 S303 F304 N305I221-V251 HydrophobicContact CD1-CG2 3.87Å; I221-V251 HydrophobicContact CG2-CG1 3.81Å; A228-V251 HydrophobicContact CB-CG1 4.06Å; E229-V251 CarbonylContact O-C 3.35Å; E229-V251 WeakPolarHBondContact O-CA 3.45Å; V230-V251 HydrophobicContact CG2-CG1 4.29Å; V251-W255 HydrophobicContact CG1-CH2 3.9Å; V251-I302 HydrophobicContact CG2-CG2 3.63Å; V251-S303 PolarHBondContact N-O 3.15Å; V251-F304 HydrophobicContact CB-CD1 3.95Å; V251-F304 HydrophobicContact CB-CE1 4Å; V251-F304 HydrophobicContact CG1-CD1 4.48Å; V251-F304 HydrophobicContact CG1-CE1 4.25Å; V251-F304 HydrophobicContact CG2-CE1 4.4Å; V251-F304 WeakPolarHBondContact O-CA 3.49Å; V251-N305 PolarHBondContact O-N 3.33Å
252F92.5Very high91.9Very high27 Ų2749.8 Ų49.812%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-98.6137.2174.9-62.9-71.2000111.1A228 E229 Q231 V250 N305 N307A228-F252 CarbonylContact C-O 3.53Å; A228-F252 VanDerWaalsContact CA-O 3.29Å; A228-F252 WeakPolarHBondContact CA-O 3.36Å; E229-F252 HydrophobicContact CB-CB 4.27Å; E229-F252 PolarHBondContact N-O 3.14Å; E229-F252 PolarHBondContact O-N 3.09Å; Q231-F252 HydrophobicContact CB-CE2 4.42Å; Q231-F252 HydrophobicContact CG-CD2 4.41Å; Q231-F252 HydrophobicContact CG-CE2 4.2Å; V250-F252 HydrophobicContact CB-CE2 4.4Å; V250-F252 HydrophobicContact CB-CZ 4.34Å; V250-F252 HydrophobicContact CG1-CD2 4.34Å; V250-F252 HydrophobicContact CG1-CE2 3.5Å; V250-F252 HydrophobicContact CG1-CZ 3.71Å; V250-F252 HydrophobicContact CG2-CD1 4.37Å; V250-F252 HydrophobicContact CG2-CE1 3.84Å; V250-F252 HydrophobicContact CG2-CE2 4.02Å; V250-F252 HydrophobicContact CG2-CZ 3.64Å; F252-N305 VanDerWaalsContact CA-OD1 3.3Å; F252-N305 WeakPolarHBondContact CA-OD1 3.26Å; F252-N307 HydrophobicContact CE1-CB 4.49Å; F252-N307 WeakPolarHBondContact CE1-ND2 3.28Å
253G91.9Very high91.9Very high20 Ų2049.6 Ų49.621%0.20625%0.254CS..  trans174176.3179.900000113.7W255 N305G253-W255 VanDerWaalsContact C-CE3 3.45Å; G253-W255 VanDerWaalsContact C-CZ3 3.44Å; G253-W255 VanDerWaalsContact CA-CH2 3.46Å; G253-W255 VanDerWaalsContact N-CZ3 3.31Å; G253-N305 PolarHBondContact N-OD1 2.89Å; G253-N305 PolarHBondContact O-ND2 3.42Å; G253-N305 PolarHBondContact O-OD1 3Å
254K90.3Very high91.9Very high211 Ų21150.3 Ų50.392%0.91726%0.257SS*.  trans-105.2104.3-173.7-61.7-178.8-177.1179.30109.7
255W91.1Very high91.9Very high54 Ų5452.9 Ų52.921%0.20527%0.27CS..  trans-139.6136.1174.9-51.5-84.3000109.4W225 A228 V251 G253 T257 P259 F304W225-W255 AromaticContact CD1-NE1 3.85Å; W225-W255 AromaticContact CD2-CZ2 3.9Å; W225-W255 HydrophobicContact CD2-CZ2 3.9Å; W225-W255 AromaticContact CD2-NE1 3.89Å; W225-W255 AromaticContact CE2-NE1 3.69Å; W225-W255 AromaticContact CE3-CZ2 3.93Å; W225-W255 HydrophobicContact CE3-CZ2 3.93Å; W225-W255 HydrophobicContact CG-CZ2 4.15Å; W225-W255 AromaticContact NE1-NE1 3.63Å; A228-W255 HydrophobicContact CB-CH2 4.17Å; A228-W255 HydrophobicContact CB-CZ2 4.1Å; V251-W255 HydrophobicContact CG1-CH2 3.9Å; G253-W255 VanDerWaalsContact C-CE3 3.45Å; G253-W255 VanDerWaalsContact C-CZ3 3.44Å; G253-W255 VanDerWaalsContact CA-CH2 3.46Å; G253-W255 VanDerWaalsContact N-CZ3 3.31Å; W255-T257 WeakPolarHBondContact CB-O 3.42Å; W255-T257 PolarHBondContact O-N 2.87Å; W255-P259 HydrophobicContact CD2-CG 3.96Å; W255-P259 HydrophobicContact CG-CG 4.04Å; W255-P259 HydrophobicContact CZ2-CG 4.4Å; W255-F304 HydrophobicContact CE3-CD1 4.17Å; W255-F304 AromaticContact CH2-CD1 3.85Å; W255-F304 HydrophobicContact CH2-CD1 3.85Å; W255-F304 AromaticContact CH2-CE1 3.97Å; W255-F304 HydrophobicContact CH2-CE1 3.97Å; W255-F304 HydrophobicContact CZ2-CE1 4.3Å; W255-F304 AromaticContact CZ3-CD1 3.63Å; W255-F304 HydrophobicContact CZ3-CD1 3.63Å; W255-F304 HydrophobicContact CZ3-CE1 4.19Å
256D85.3Confident91.9Very high177 Ų17754.1 Ų54.195%0.94727%0.274SS*.SBendtrans-70.4-25175.3-53.5-63.1000112.2
257T86.9Confident91.8Very high116 Ų11652 Ų5271%0.71226%0.263SS*.SBendtrans-138135.6174.356.30000109.6W255W255-T257 WeakPolarHBondContact CB-O 3.42Å; W255-T257 PolarHBondContact O-N 2.87Å
258L89.8Confident91.6Very high68 Ų6856.4 Ų56.436%0.35628%0.279SS..  trans-61.6124-176.3-58.1-176.6000111.7L260 P287 F304L258-L260 HydrophobicContact CB-CD1 4.48Å; L258-L260 HydrophobicContact CB-CG 4.24Å; L258-L260 PolarHBondContact O-N 3.07Å; L258-P287 HydrophobicContact CD1-CB 4.46Å; L258-P287 HydrophobicContact CD1-CG 4.23Å; L258-F304 HydrophobicContact CD1-CB 4.45Å; L258-F304 HydrophobicContact CD2-CB 3.92Å
259P92.5Very high91.4Very high14 Ų1461.1 Ų61.19%0.09130%0.298CS..  trans-85.444.1-168.638-40.6000113.1W225 W255 W261 T262 L263 F304W225-P259 HydrophobicContact CH2-CB 3.64Å; W225-P259 HydrophobicContact CH2-CG 3.45Å; W225-P259 VanDerWaalsContact CH2-CG 3.45Å; W225-P259 HydrophobicContact CZ2-CB 3.51Å; W225-P259 HydrophobicContact CZ2-CG 3.61Å; W225-P259 HydrophobicContact CZ3-CG 4.08Å; W255-P259 HydrophobicContact CD2-CG 3.96Å; W255-P259 HydrophobicContact CG-CG 4.04Å; W255-P259 HydrophobicContact CZ2-CG 4.4Å; P259-W261 PolarHBondContact O-N 2.76Å; P259-T262 WeakPolarHBondContact O-CB 3.46Å; P259-T262 PolarHBondContact O-N 3.08Å; P259-T262 VanDerWaalsContact O-N 3.17Å; P259-L263 PolarHBondContact O-N 2.98Å; P259-L263 VanDerWaalsContact O-N 3.09Å; P259-F304 HydrophobicContact CG-CD1 4.26Å; P259-F304 HydrophobicContact CG-CE1 3.61Å; P259-F304 HydrophobicContact CG-CZ 3.99Å
260L92.3Very high91.1Very high11 Ų1164.5 Ų64.56%0.05832%0.316CS..Hα-helixtrans-54.3-55-172.6-64.7161.8000112.1L258 T262 L263 E264 V280 P287 I289 F304L258-L260 HydrophobicContact CB-CD1 4.48Å; L258-L260 HydrophobicContact CB-CG 4.24Å; L258-L260 PolarHBondContact O-N 3.07Å; L260-T262 VanDerWaalsContact C-N 3.29Å; L260-T262 PolarHBondContact O-N 3.11Å; L260-L263 PolarHBondContact O-N 3.23Å; L260-E264 PolarHBondContact O-N 3.46Å; L260-V280 HydrophobicContact CB-CG1 3.84Å; L260-V280 HydrophobicContact CB-CG2 4.46Å; L260-V280 HydrophobicContact CD1-CG1 4.11Å; L260-V280 HydrophobicContact CG-CG1 4.45Å; L260-P287 HydrophobicContact CD1-CB 3.69Å; L260-P287 HydrophobicContact CD2-CB 4.31Å; L260-I289 HydrophobicContact CD2-CD1 4.36Å; L260-I289 HydrophobicContact CD2-CG1 3.83Å; L260-I289 VanDerWaalsContact O-CD1 3.24Å; L260-I289 WeakPolarHBondContact O-CD1 3.45Å; L260-F304 HydrophobicContact CD2-CD2 3.77Å; L260-F304 HydrophobicContact CD2-CE2 3.86Å
261W92.8Very high90.7Very high145 Ų14570.4 Ų70.455%0.54935%0.348SS..Hα-helixtrans-64.5-32.2-179.5-5597.6000112.6P259 E264 D265 V280P259-W261 PolarHBondContact O-N 2.76Å; W261-E264 WeakPolarHBondContact CZ3-OE2 3.43Å; W261-E264 PolarHBondContact O-N 3.03Å; W261-D265 PolarHBondContact O-N 3.43Å; W261-V280 HydrophobicContact CD2-CG1 4.46Å; W261-V280 HydrophobicContact CD2-CG2 4.47Å; W261-V280 HydrophobicContact CE3-CB 4.43Å; W261-V280 HydrophobicContact CE3-CG2 4.23Å; W261-V280 HydrophobicContact CH2-CB 3.99Å; W261-V280 HydrophobicContact CH2-CG1 4.23Å; W261-V280 HydrophobicContact CZ2-CB 4.19Å; W261-V280 HydrophobicContact CZ2-CG1 3.91Å; W261-V280 HydrophobicContact CZ3-CB 4.12Å; W261-V280 HydrophobicContact CZ3-CG2 4.31Å
262T92.9Very high90.1Very high73 Ų7371.1 Ų71.145%0.44835%0.352SS..Hα-helixtrans-67.8-38.3176.5-48.80000111.9W225 P259 L260 E266W225-T262 HydrophobicContact CH2-CG2 4.41Å; W225-T262 HydrophobicContact CZ2-CG2 3.93Å; P259-T262 WeakPolarHBondContact O-CB 3.46Å; P259-T262 PolarHBondContact O-N 3.08Å; P259-T262 VanDerWaalsContact O-N 3.17Å; L260-T262 VanDerWaalsContact C-N 3.29Å; L260-T262 PolarHBondContact O-N 3.11Å; T262-E266 PolarHBondContact O-N 2.98Å
263L93.6Very high89.6Confident0 Ų070.1 Ų70.10%035%0.349CS..Hα-helixtrans-72.9-39174.8-178.356.2000111.6I221 L224 W225 P259 L260 E266 L267 I289 I302 F304I221-L263 HydrophobicContact CD1-CD2 4.35Å; I221-L263 HydrophobicContact CG1-CD1 3.69Å; I221-L263 HydrophobicContact CG1-CD2 4.14Å; L224-L263 HydrophobicContact CD1-CD1 4Å; W225-L263 HydrophobicContact CH2-CB 4.02Å; W225-L263 HydrophobicContact CZ3-CB 4.13Å; W225-L263 HydrophobicContact CZ3-CD1 4.39Å; P259-L263 PolarHBondContact O-N 2.98Å; P259-L263 VanDerWaalsContact O-N 3.09Å; L260-L263 PolarHBondContact O-N 3.23Å; L263-E266 PolarHBondContact O-N 2.89Å; L263-L267 HydrophobicContact CD1-CD1 4.11Å; L263-L267 HydrophobicContact CD1-CG 3.98Å; L263-L267 HydrophobicContact CG-CD1 3.85Å; L263-L267 HydrophobicContact CG-CG 4.24Å; L263-L267 WeakPolarHBondContact O-CB 3.47Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.44Å; L263-L267 PolarHBondContact O-N 3.03Å; L263-I289 HydrophobicContact CB-CD1 3.88Å; L263-I289 HydrophobicContact CD2-CD1 3.98Å; L263-I289 HydrophobicContact CG-CD1 4.04Å; L263-I302 HydrophobicContact CD2-CD1 4.19Å; L263-I302 HydrophobicContact CD2-CG2 3.98Å; L263-F304 HydrophobicContact CB-CZ 4.27Å; L263-F304 HydrophobicContact CD2-CE2 4.12Å; L263-F304 HydrophobicContact CD2-CZ 3.67Å
264E92.6Very high89Confident15 Ų1572.5 Ų72.57%0.0736%0.357CS..Hα-helixtrans-56.2-50.5173.2168.8178.4-159.100112.2L260 W261 E266 L267 R268 I278 V280L260-E264 PolarHBondContact O-N 3.46Å; W261-E264 WeakPolarHBondContact CZ3-OE2 3.43Å; W261-E264 PolarHBondContact O-N 3.03Å; E264-E266 VanDerWaalsContact C-N 3.3Å; E264-E266 PolarHBondContact O-N 2.63Å; E264-L267 PolarHBondContact O-N 3.11Å; E264-R268 VanDerWaalsContact CG-NH1 3.25Å; E264-R268 PolarHBondContact O-N 2.88Å; E264-R268 IonicContact OE1-CZ 2.72Å; E264-R268 IonicContact OE1-NH1 2.78Å; E264-R268 PolarHBondContact OE1-NH1 2.64Å; E264-R268 IonicContact OE1-NH2 3.2Å; E264-R268 PolarHBondContact OE1-NH2 2.76Å; E264-I278 HydrophobicContact CB-CG2 4.21Å; E264-I278 HydrophobicContact CG-CG2 3.78Å; E264-V280 HydrophobicContact CB-CG2 4.03Å; E264-V280 HydrophobicContact CG-CG2 4.43Å; E264-V280 WeakPolarHBondContact OE2-CG2 3.25Å
265D91.4Very high88.2Confident88 Ų8869.6 Ų69.647%0.47135%0.347SS..Hα-helixtrans-60.5-39.2179.8-85-15.5000112.1W261 K269W261-D265 PolarHBondContact O-N 3.43Å; D265-K269 VanDerWaalsContact O-CE 3.25Å; D265-K269 WeakPolarHBondContact O-CE 3.43Å; D265-K269 WeakPolarHBondContact O-CG 3.4Å; D265-K269 PolarHBondContact O-N 3.01Å
266E92Very high87.6Confident43 Ų4373.5 Ų73.520%0.20137%0.371CS..Hα-helixtrans-76.2-36.6-179.7-157.561.2-13700112.6V220 L224 T262 L263 E264 R268 K269 N270V220-E266 HydrophobicContact CG1-CB 4.08Å; V220-E266 HydrophobicContact CG1-CG 3.74Å; L224-E266 HydrophobicContact CD1-CB 3.74Å; L224-E266 HydrophobicContact CD1-CG 4.03Å; L224-E266 HydrophobicContact CD2-CB 4.1Å; L224-E266 HydrophobicContact CD2-CG 3.8Å; L224-E266 HydrophobicContact CG-CB 4.14Å; L224-E266 HydrophobicContact CG-CG 3.86Å; T262-E266 PolarHBondContact O-N 2.98Å; L263-E266 PolarHBondContact O-N 2.89Å; E264-E266 VanDerWaalsContact C-N 3.3Å; E264-E266 PolarHBondContact O-N 2.63Å; E266-R268 VanDerWaalsContact C-N 3.27Å; E266-R268 PolarHBondContact O-N 3.49Å; E266-K269 PolarHBondContact O-N 3.19Å; E266-K269 WeakPolarHBondContact OE2-CE 3.32Å; E266-K269 IonicContact OE2-NZ 2.72Å; E266-K269 PolarHBondContact OE2-NZ 3.47Å; E266-N270 PolarHBondContact O-N 2.98Å; E266-N270 PolarHBondContact O-ND2 3.01Å; E266-N270 PolarHBondContact OE1-ND2 3.45Å
267L91.9Very high87.7Confident0 Ų065.5 Ų65.50%033%0.33CS..Hα-helixtrans-60.7-37.3171.6-73.5169.8000111.5I217 V220 L263 E264 N271 V272 I278 L291 I302I217-L267 HydrophobicContact CG2-CD2 4.46Å; V220-L267 HydrophobicContact CB-CD2 4.35Å; V220-L267 HydrophobicContact CG1-CD2 4.19Å; L263-L267 HydrophobicContact CD1-CD1 4.11Å; L263-L267 HydrophobicContact CD1-CG 3.98Å; L263-L267 HydrophobicContact CG-CD1 3.85Å; L263-L267 HydrophobicContact CG-CG 4.24Å; L263-L267 WeakPolarHBondContact O-CB 3.47Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.44Å; L263-L267 PolarHBondContact O-N 3.03Å; E264-L267 PolarHBondContact O-N 3.11Å; L267-N271 PolarHBondContact O-N 2.88Å; L267-V272 HydrophobicContact CD2-CB 4.42Å; L267-V272 PolarHBondContact O-N 3.43Å; L267-I278 HydrophobicContact CB-CD1 3.98Å; L267-L291 HydrophobicContact CD1-CD2 4.4Å; L267-I302 HydrophobicContact CD1-CD1 3.96Å
268R89.9Confident87.8Confident92 Ų9260.3 Ų60.335%0.34730%0.297SS..Hα-helixtrans-62.5-53.5169.6-75.6-166.9178.8102.415112.1E264 E266 N270 N271 I278E264-R268 VanDerWaalsContact CG-NH1 3.25Å; E264-R268 PolarHBondContact O-N 2.88Å; E264-R268 IonicContact OE1-CZ 2.72Å; E264-R268 IonicContact OE1-NH1 2.78Å; E264-R268 PolarHBondContact OE1-NH1 2.64Å; E264-R268 IonicContact OE1-NH2 3.2Å; E264-R268 PolarHBondContact OE1-NH2 2.76Å; E266-R268 VanDerWaalsContact C-N 3.27Å; E266-R268 PolarHBondContact O-N 3.49Å; R268-N270 PolarHBondContact O-N 3.44Å; R268-N271 PolarHBondContact O-N 3.39Å; R268-I278 HydrophobicContact CG-CD1 3.6Å; R268-I278 PolarHBondContact NH2-O 3.4Å
269K89.3Confident88Confident129 Ų12963.1 Ų63.156%0.56131%0.306SS*.Hα-helixtrans-55.2-35.6-178.6-76.6171.7-122159.30113.4D265 E266 N271D265-K269 VanDerWaalsContact O-CE 3.25Å; D265-K269 WeakPolarHBondContact O-CE 3.43Å; D265-K269 WeakPolarHBondContact O-CG 3.4Å; D265-K269 PolarHBondContact O-N 3.01Å; E266-K269 PolarHBondContact O-N 3.19Å; E266-K269 WeakPolarHBondContact OE2-CE 3.32Å; E266-K269 IonicContact OE2-NZ 2.72Å; E266-K269 PolarHBondContact OE2-NZ 3.47Å; K269-N271 PolarHBondContact O-ND2 2.98Å
270N86.3Confident87.9Confident71 Ų7163.2 Ų63.238%0.3831%0.307SS..THydrogen-bonded Turntrans-89.82-178.8-68.4-95.3000113.4V220 E266 R268 V272V220-N270 HydrophobicContact CG2-CB 3.79Å; E266-N270 PolarHBondContact O-N 2.98Å; E266-N270 PolarHBondContact O-ND2 3.01Å; E266-N270 PolarHBondContact OE1-ND2 3.45Å; R268-N270 PolarHBondContact O-N 3.44Å; N270-V272 HydrophobicContact CB-CG2 3.99Å; N270-V272 PolarHBondContact O-N 2.92Å; N270-V272 VanDerWaalsContact O-N 3.1Å
271N84.7Confident87.8Confident125 Ų12566.3 Ų66.367%0.66832%0.323SS*.THydrogen-bonded Turntrans55.223.3177.1-55.6-81000115.3L267 R268 K269 A273 S294L267-N271 PolarHBondContact O-N 2.88Å; R268-N271 PolarHBondContact O-N 3.39Å; K269-N271 PolarHBondContact O-ND2 2.98Å; N271-A273 PolarHBondContact O-N 3.08Å; N271-S294 PolarHBondContact O-OG 3.32Å
272V81.9Confident87.6Confident14 Ų1462.4 Ų62.49%0.08531%0.313CS..  trans-69.6-23.1-176.9-179.80000112.1R216 I217 V220 L267 N270 D293 S294R216-V272 HydrophobicContact CB-CG1 4.14Å; I217-V272 HydrophobicContact CG1-CG1 3.71Å; V220-V272 HydrophobicContact CG2-CG2 3.81Å; L267-V272 HydrophobicContact CD2-CB 4.42Å; L267-V272 PolarHBondContact O-N 3.43Å; N270-V272 HydrophobicContact CB-CG2 3.99Å; N270-V272 PolarHBondContact O-N 2.92Å; N270-V272 VanDerWaalsContact O-N 3.1Å; V272-D293 WeakPolarHBondContact O-CA 3.47Å; V272-S294 PolarHBondContact O-N 3.47Å; V272-S294 PolarHBondContact O-OG 2.8Å
273A81.7Confident87.3Confident7 Ų767.4 Ų67.46%0.05833%0.329CS..BIsolated β-bridgetrans-124.4158.1-18000000111.6N271 E275 I278 L291 T292N271-A273 PolarHBondContact O-N 3.08Å; A273-E275 PolarHBondContact O-N 3.19Å; A273-I278 HydrophobicContact CB-CD1 3.91Å; A273-I278 HydrophobicContact CB-CG1 3.67Å; A273-L291 HydrophobicContact CB-CB 4.02Å; A273-L291 HydrophobicContact CB-CD1 3.69Å; A273-L291 HydrophobicContact CB-CG 4.5Å; A273-T292 CarbonylContact C-O 3.57Å; A273-T292 WeakPolarHBondContact CA-O 3.2Å; A273-T292 VanDerWaalsContact CB-O 3.25Å; A273-T292 WeakPolarHBondContact CB-O 3.41Å
274D80.4Confident86.7Confident69 Ų6969.9 Ų69.937%0.36935%0.349SS..  trans-57.1132169.8-65.7-42.5000109.5N276 S277 T292D274-N276 PolarHBondContact O-N 3.27Å; D274-S277 WeakPolarHBondContact O-CB 3.4Å; D274-S277 PolarHBondContact O-N 3.22Å; D274-S277 PolarHBondContact O-OG 3.05Å; D274-T292 PolarHBondContact N-O 3.13Å
275E72.6Confident86Confident151 Ų15176.3 Ų76.371%0.70639%0.389SS*.THydrogen-bonded Turntrans-48.5-35.8-172.8-173.3-177.6-148.100113.7A273A273-E275 PolarHBondContact O-N 3.19Å
276N79.3Confident85.7Confident135 Ų13575.1 Ų75.172%0.72239%0.385SS*.THydrogen-bonded Turntrans-1044-177.3-67.6-83.1000114.3D274D274-N276 PolarHBondContact O-N 3.27Å
277S86.4Confident85.5Confident10 Ų1074.7 Ų74.77%0.0739%0.386CS..THydrogen-bonded Turntrans-81.9-40.4178.267.10000113.2D274 K279 T292D274-S277 WeakPolarHBondContact O-CB 3.4Å; D274-S277 PolarHBondContact O-N 3.22Å; D274-S277 PolarHBondContact O-OG 3.05Å; S277-K279 WeakPolarHBondContact O-CD 3.5Å; S277-K279 WeakPolarHBondContact O-CE 3.2Å; S277-K279 WeakPolarHBondContact O-CG 3.41Å; S277-K279 PolarHBondContact O-N 2.76Å; S277-T292 PolarHBondContact OG-N 2.94Å; S277-T292 VanDerWaalsContact OG-N 3.08Å; S277-T292 PolarHBondContact OG-O 3.12Å
278I90.6Very high85.6Confident7 Ų776.6 Ų76.64%0.03640%0.396CS..  trans-64125.4-170.3-51.5163.6000110.6E264 L267 R268 A273 I289 K290 L291E264-I278 HydrophobicContact CB-CG2 4.21Å; E264-I278 HydrophobicContact CG-CG2 3.78Å; L267-I278 HydrophobicContact CB-CD1 3.98Å; R268-I278 HydrophobicContact CG-CD1 3.6Å; R268-I278 PolarHBondContact NH2-O 3.4Å; A273-I278 HydrophobicContact CB-CD1 3.91Å; A273-I278 HydrophobicContact CB-CG1 3.67Å; I278-I289 HydrophobicContact CG2-CG2 3.62Å; I278-K290 CarbonylContact C-O 3.49Å; I278-K290 VanDerWaalsContact CA-O 3.3Å; I278-K290 WeakPolarHBondContact CA-O 3.3Å; I278-L291 HydrophobicContact CB-CB 4.44Å; I278-L291 HydrophobicContact CG1-CB 3.87Å
279K92.1Very high85.8Confident126 Ų12672.2 Ų72.255%0.54838%0.379SS..EExtended strand (participates in β ladder)trans-139.2115.4-177.8-70.9152.4-167.7150.20110.2S277 K290S277-K279 WeakPolarHBondContact O-CD 3.5Å; S277-K279 WeakPolarHBondContact O-CE 3.2Å; S277-K279 WeakPolarHBondContact O-CG 3.41Å; S277-K279 PolarHBondContact O-N 2.76Å; K279-K290 PolarHBondContact N-O 3.06Å; K279-K290 PolarHBondContact O-N 3.46Å
280V91.8Very high86Confident17 Ų1769.2 Ų69.210%0.10337%0.366CS..EExtended strand (participates in β ladder)trans-80125.7169.7176.80000110.1L260 W261 E264 D282 I289L260-V280 HydrophobicContact CB-CG1 3.84Å; L260-V280 HydrophobicContact CB-CG2 4.46Å; L260-V280 HydrophobicContact CD1-CG1 4.11Å; L260-V280 HydrophobicContact CG-CG1 4.45Å; W261-V280 HydrophobicContact CD2-CG1 4.46Å; W261-V280 HydrophobicContact CD2-CG2 4.47Å; W261-V280 HydrophobicContact CE3-CB 4.43Å; W261-V280 HydrophobicContact CE3-CG2 4.23Å; W261-V280 HydrophobicContact CH2-CB 3.99Å; W261-V280 HydrophobicContact CH2-CG1 4.23Å; W261-V280 HydrophobicContact CZ2-CB 4.19Å; W261-V280 HydrophobicContact CZ2-CG1 3.91Å; W261-V280 HydrophobicContact CZ3-CB 4.12Å; W261-V280 HydrophobicContact CZ3-CG2 4.31Å; E264-V280 HydrophobicContact CB-CG2 4.03Å; E264-V280 HydrophobicContact CG-CG2 4.43Å; E264-V280 WeakPolarHBondContact OE2-CG2 3.25Å; V280-D282 HydrophobicContact CG1-CB 4.17Å; V280-I289 HydrophobicContact CG2-CG1 4.23Å; V280-I289 HydrophobicContact CG2-CG2 4.21Å
281L89.9Confident86.4Confident76 Ų7666.1 Ų66.140%0.39835%0.349SS..EExtended strand (participates in β ladder)trans-10766.3177-58.9-179000109.9K283 P287 I288 K290L281-K283 VanDerWaalsContact C-N 3.29Å; L281-K283 PolarHBondContact O-N 3.36Å; L281-P287 WeakPolarHBondContact O-CA 3.37Å; L281-I288 WeakPolarHBondContact CB-O 3.4Å; L281-I288 PolarHBondContact N-O 3.07Å; L281-K290 HydrophobicContact CD1-CD 3.97Å; L281-K290 HydrophobicContact CD1-CG 3.98Å
282D88.3Confident86.8Confident62 Ų6261.6 Ų61.633%0.33233%0.326SS..THydrogen-bonded Turntrans-62.4-28-174.865.8-29.3000115V280V280-D282 HydrophobicContact CG1-CB 4.17Å
283K86.1Confident87.3Confident179 Ų17960.9 Ų60.978%0.77832%0.322SS*.THydrogen-bonded Turntrans-92.11.8-171.9-70.1161.2-166.780.30115L281L281-K283 VanDerWaalsContact C-N 3.29Å; L281-K283 PolarHBondContact O-N 3.36Å
284A80.7Confident87.6Confident51 Ų5163.4 Ų63.442%0.42134%0.339SS..SBendtrans-80.3157.2175.900000111.5V286A284-V286 WeakPolarHBondContact CB-O 3.44Å; A284-V286 PolarHBondContact O-N 3.02Å
285T79.6Confident88Confident151 Ų15166.3 Ų66.393%0.92635%0.349SS*.SBendtrans-56.1-31.9176.1-44.70000112.5
286V84.6Confident88.8Confident63 Ų6359.1 Ų59.138%0.38232%0.315SS..SBendtrans-118.6111.4165.61780000106.6A284 I288 V306A284-V286 WeakPolarHBondContact CB-O 3.44Å; A284-V286 PolarHBondContact O-N 3.02Å; V286-I288 HydrophobicContact CG1-CG1 4.22Å; V286-V306 HydrophobicContact CG1-CG2 3.68Å
287P88.6Confident89.4Confident33 Ų3357.6 Ų57.621%0.21430%0.304CS..  trans-66.5131.4175.2-24.836.3000111.9L258 L260 L281L258-P287 HydrophobicContact CD1-CB 4.46Å; L258-P287 HydrophobicContact CD1-CG 4.23Å; L260-P287 HydrophobicContact CD1-CB 3.69Å; L260-P287 HydrophobicContact CD2-CB 4.31Å; L281-P287 WeakPolarHBondContact O-CA 3.37Å
288I92.4Very high89.7Confident41 Ų4157.3 Ų57.321%0.2130%0.302CS..EExtended strand (participates in β ladder)trans-133.7144-174.5-66.5167.8000109.9L281 V286 K290 D301 I302L281-I288 WeakPolarHBondContact CB-O 3.4Å; L281-I288 PolarHBondContact N-O 3.07Å; V286-I288 HydrophobicContact CG1-CG1 4.22Å; I288-K290 HydrophobicContact CG2-CG 4.13Å; I288-D301 HydrophobicContact CG2-CB 4Å; I288-D301 WeakPolarHBondContact CG2-OD2 3.41Å; I288-I302 CarbonylContact C-O 3.55Å; I288-I302 WeakPolarHBondContact CA-O 3.45Å
289I94Very high89.9Confident0 Ų061.3 Ų61.30%032%0.319CS..EExtended strand (participates in β ladder)trans-99.1116.3163.2-43-177.1000107.9L260 L263 I278 V280 I302 F304L260-I289 HydrophobicContact CD2-CD1 4.36Å; L260-I289 HydrophobicContact CD2-CG1 3.83Å; L260-I289 VanDerWaalsContact O-CD1 3.24Å; L260-I289 WeakPolarHBondContact O-CD1 3.45Å; L263-I289 HydrophobicContact CB-CD1 3.88Å; L263-I289 HydrophobicContact CD2-CD1 3.98Å; L263-I289 HydrophobicContact CG-CD1 4.04Å; I278-I289 HydrophobicContact CG2-CG2 3.62Å; V280-I289 HydrophobicContact CG2-CG1 4.23Å; V280-I289 HydrophobicContact CG2-CG2 4.21Å; I289-I302 HydrophobicContact CB-CB 4.35Å; I289-I302 PolarHBondContact N-O 2.9Å; I289-I302 PolarHBondContact O-N 3.46Å; I289-F304 HydrophobicContact CD1-CE2 4.25Å
290K94Very high90Very high66 Ų6655.3 Ų55.329%0.28729%0.293SS..EExtended strand (participates in β ladder)trans-93.3140.1170.1-62.9-160.1161.4-91.50109.8I278 K279 L281 I288 V300 D301I278-K290 CarbonylContact C-O 3.49Å; I278-K290 VanDerWaalsContact CA-O 3.3Å; I278-K290 WeakPolarHBondContact CA-O 3.3Å; K279-K290 PolarHBondContact N-O 3.06Å; K279-K290 PolarHBondContact O-N 3.46Å; L281-K290 HydrophobicContact CD1-CD 3.97Å; L281-K290 HydrophobicContact CD1-CG 3.98Å; I288-K290 HydrophobicContact CG2-CG 4.13Å; K290-V300 WeakPolarHBondContact CA-O 3.49Å; K290-D301 WeakPolarHBondContact CE-OD1 3.43Å; K290-D301 WeakPolarHBondContact CE-OD2 3.33Å; K290-D301 VanDerWaalsContact CG-OD1 3.31Å; K290-D301 WeakPolarHBondContact CG-OD1 3.29Å; K290-D301 IonicContact NZ-OD1 3.94Å; K290-D301 PolarHBondContact NZ-OD1 3.41Å; K290-D301 IonicContact NZ-OD2 3.9Å; K290-D301 PolarHBondContact NZ-OD2 3.1Å
291L94.1Very high90.2Very high5 Ų555.3 Ų55.33%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-147.6171.3173.763.7137.4000112I217 L267 A273 I278 K299 V300 I302I217-L291 HydrophobicContact CD1-CD1 4.08Å; L267-L291 HydrophobicContact CD1-CD2 4.4Å; A273-L291 HydrophobicContact CB-CB 4.02Å; A273-L291 HydrophobicContact CB-CD1 3.69Å; A273-L291 HydrophobicContact CB-CG 4.5Å; I278-L291 HydrophobicContact CB-CB 4.44Å; I278-L291 HydrophobicContact CG1-CB 3.87Å; L291-K299 CarbonylContact O-C 3.22Å; L291-K299 WeakPolarHBondContact O-CA 3.42Å; L291-V300 HydrophobicContact CD1-CB 4.33Å; L291-V300 HydrophobicContact CD2-CB 4.04Å; L291-V300 HydrophobicContact CD2-CG1 4.43Å; L291-V300 WeakPolarHBondContact CD2-O 3.13Å; L291-V300 HydrophobicContact CG-CB 3.96Å; L291-V300 PolarHBondContact N-O 2.76Å; L291-V300 PolarHBondContact O-N 3.38Å; L291-I302 HydrophobicContact CD2-CD1 3.68Å; L291-I302 HydrophobicContact CD2-CG1 3.9Å
292T94.1Very high90.4Very high30 Ų3051.7 Ų51.718%0.18427%0.273CS..EExtended strand (participates in β ladder)trans-122.9126.5167.6-53.40000108.5A273 D274 S277 S294 E297 V298A273-T292 CarbonylContact C-O 3.57Å; A273-T292 WeakPolarHBondContact CA-O 3.2Å; A273-T292 VanDerWaalsContact CB-O 3.25Å; A273-T292 WeakPolarHBondContact CB-O 3.41Å; D274-T292 PolarHBondContact N-O 3.13Å; S277-T292 PolarHBondContact OG-N 2.94Å; S277-T292 VanDerWaalsContact OG-N 3.08Å; S277-T292 PolarHBondContact OG-O 3.12Å; T292-S294 PolarHBondContact O-N 3.34Å; T292-E297 HydrophobicContact CG2-CB 4.48Å; T292-E297 WeakPolarHBondContact CG2-O 3.44Å; T292-V298 WeakPolarHBondContact CA-O 3.45Å
293D92.8Very high90.6Very high0 Ų049 Ų490%026%0.259CS..BIsolated β-bridgetrans-66.1127.4174.5172.2103.3000111V213 R216 V272 F295 T296 E297 V298V213-D293 HydrophobicContact CG1-CB 3.95Å; V213-D293 HydrophobicContact CG2-CB 4.31Å; R216-D293 IonicContact CZ-OD1 2.67Å; R216-D293 VanDerWaalsContact CZ-OD1 3.3Å; R216-D293 IonicContact NE-OD1 2.71Å; R216-D293 PolarHBondContact NE-OD1 3.15Å; R216-D293 IonicContact NH2-OD1 3.55Å; R216-D293 PolarHBondContact NH2-OD1 3.18Å; R216-D293 IonicContact NH2-OD2 2.71Å; R216-D293 PolarHBondContact NH2-OD2 2.91Å; V272-D293 WeakPolarHBondContact O-CA 3.47Å; D293-F295 PolarHBondContact O-N 2.92Å; D293-F295 PolarHBondContact OD2-N 3.25Å; D293-F295 VanDerWaalsContact OD2-N 3.11Å; D293-T296 WeakPolarHBondContact CB-OG1 3.4Å; D293-T296 VanDerWaalsContact CG-OG1 3.27Å; D293-T296 WeakPolarHBondContact OD2-CB 3.29Å; D293-T296 PolarHBondContact OD2-N 2.7Å; D293-T296 PolarHBondContact OD2-OG1 2.96Å; D293-E297 WeakPolarHBondContact O-CA 3.36Å; D293-E297 PolarHBondContact O-N 3.19Å; D293-V298 PolarHBondContact N-O 3.47Å
294S88.2Confident90.9Very high59 Ų5940.9 Ų40.941%0.41322%0.224SC..THydrogen-bonded Turntrans-72.1-11.2-168.851.70000115.1N271 V272 T292N271-S294 PolarHBondContact O-OG 3.32Å; V272-S294 PolarHBondContact O-N 3.47Å; V272-S294 PolarHBondContact O-OG 2.8Å; T292-S294 PolarHBondContact O-N 3.34Å
295F87.4Confident91.2Very high130 Ų13041.5 Ų41.557%0.5722%0.22SC*.THydrogen-bonded Turntrans-106.1-27.8-179.2-177.8-116.1000113D293 W500D293-F295 PolarHBondContact O-N 2.92Å; D293-F295 PolarHBondContact OD2-N 3.25Å; D293-F295 VanDerWaalsContact OD2-N 3.11Å; F295-W500 HydrophobicContact CD1-CH2 4.3Å; F295-W500 AromaticContact CE1-CH2 3.72Å; F295-W500 HydrophobicContact CE1-CH2 3.72Å; F295-W500 HydrophobicContact CE1-CZ2 4.05Å
296T91.1Very high91.4Very high0 Ų036.1 Ų36.10%019%0.187CC..THydrogen-bonded Turntrans-118.4-7.4-171.461.80000114.1M209 V213 D293 V298 Y492 W500M209-T296 HydrophobicContact CG-CG2 3.81Å; M209-T296 HydrophobicContact SD-CG2 3.63Å; V213-T296 HydrophobicContact CG2-CG2 3.99Å; V213-T296 WeakPolarHBondContact CG2-OG1 3.32Å; D293-T296 WeakPolarHBondContact CB-OG1 3.4Å; D293-T296 VanDerWaalsContact CG-OG1 3.27Å; D293-T296 WeakPolarHBondContact OD2-CB 3.29Å; D293-T296 PolarHBondContact OD2-N 2.7Å; D293-T296 PolarHBondContact OD2-OG1 2.96Å; T296-V298 PolarHBondContact O-N 3.43Å; T296-V298 VanDerWaalsContact O-N 3.11Å; T296-V298 WeakPolarHBondContact OG1-CG2 3.33Å; T296-V298 PolarHBondContact OG1-N 2.88Å; T296-Y492 VanDerWaalsContact O-CE2 3.32Å; T296-Y492 WeakPolarHBondContact O-CE2 3.04Å; T296-Y492 PolarHBondContact O-OH 3.36Å; T296-W500 HydrophobicContact CG2-CH2 4.06Å
297E91.1Very high90.8Very high104 Ų10438.3 Ų38.349%0.48620%0.197SC..  trans57.612.6-170.5-55.9-170.6-179.700114.8K147 T292 D293 K299K147-E297 WeakPolarHBondContact CE-OE2 3.44Å; K147-E297 IonicContact NZ-OE2 4Å; K147-E297 PolarHBondContact NZ-OE2 2.75Å; T292-E297 HydrophobicContact CG2-CB 4.48Å; T292-E297 WeakPolarHBondContact CG2-O 3.44Å; D293-E297 WeakPolarHBondContact O-CA 3.36Å; D293-E297 PolarHBondContact O-N 3.19Å; E297-K299 PolarHBondContact O-N 3.49Å
298V93.1Very high90.3Very high4 Ų438.5 Ų38.52%0.02421%0.205CC..  trans-72.3127.2179.2175.50000110.4M209 V213 I247 T292 D293 T296 V300 Y492M209-V298 HydrophobicContact CE-CG2 3.59Å; M209-V298 HydrophobicContact SD-CG2 3.57Å; M209-V298 VanDerWaalsContact SD-CG2 3.57Å; V213-V298 HydrophobicContact CG2-CB 4.37Å; I247-V298 HydrophobicContact CD1-CG1 3.73Å; I247-V298 HydrophobicContact CG1-CG1 3.82Å; T292-V298 WeakPolarHBondContact CA-O 3.45Å; D293-V298 PolarHBondContact N-O 3.47Å; T296-V298 PolarHBondContact O-N 3.43Å; T296-V298 VanDerWaalsContact O-N 3.11Å; T296-V298 WeakPolarHBondContact OG1-CG2 3.33Å; T296-V298 PolarHBondContact OG1-N 2.88Å; V298-V300 HydrophobicContact CG1-CG2 4.35Å; V298-Y492 WeakPolarHBondContact CG2-OH 3.47Å
299K94Very high89.5Confident91 Ų9137.1 Ų37.140%0.39620%0.2SC..EExtended strand (participates in β ladder)trans-75.6136.7173.9-63.8172.3-178.1175.90109.7D145 D246 I247 L291 E297D145-K299 PolarHBondContact O-NZ 3.26Å; D246-K299 CarbonylContact C-O 3.5Å; D246-K299 VanDerWaalsContact CA-O 3.22Å; D246-K299 WeakPolarHBondContact CA-O 3.44Å; D246-K299 HydrophobicContact CB-CB 4.21Å; I247-K299 PolarHBondContact N-O 3.31Å; L291-K299 CarbonylContact O-C 3.22Å; L291-K299 WeakPolarHBondContact O-CA 3.42Å; E297-K299 PolarHBondContact O-N 3.49Å
300V95.3Very high88.8Confident0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-133.2133.6179.2-171.80000110.2V213 I217 I247 L249 K290 L291 V298 I302V213-V300 HydrophobicContact CG1-CG2 3.83Å; I217-V300 HydrophobicContact CD1-CB 4.14Å; I217-V300 HydrophobicContact CD1-CG1 3.87Å; I217-V300 HydrophobicContact CD1-CG2 3.88Å; I247-V300 HydrophobicContact CB-CG1 4.23Å; I247-V300 HydrophobicContact CB-CG2 4.24Å; I247-V300 WeakPolarHBondContact O-CA 3.22Å; I247-V300 WeakPolarHBondContact O-CG1 3.38Å; L249-V300 HydrophobicContact CD1-CG1 3.8Å; L249-V300 HydrophobicContact CG-CG1 4.06Å; K290-V300 WeakPolarHBondContact CA-O 3.49Å; L291-V300 HydrophobicContact CD1-CB 4.33Å; L291-V300 HydrophobicContact CD2-CB 4.04Å; L291-V300 HydrophobicContact CD2-CG1 4.43Å; L291-V300 WeakPolarHBondContact CD2-O 3.13Å; L291-V300 HydrophobicContact CG-CB 3.96Å; L291-V300 PolarHBondContact N-O 2.76Å; L291-V300 PolarHBondContact O-N 3.38Å; V298-V300 HydrophobicContact CG1-CG2 4.35Å; V300-I302 HydrophobicContact CG1-CG1 4.15Å
301D94.4Very high88.5Confident17 Ų1742 Ų429%0.09122%0.224CC..EExtended strand (participates in β ladder)trans-111.9113.8177.2-93.143.7000109.3I247 L249 I288 K290I247-D301 PolarHBondContact O-N 2.96Å; L249-D301 PolarHBondContact N-O 2.87Å; I288-D301 HydrophobicContact CG2-CB 4Å; I288-D301 WeakPolarHBondContact CG2-OD2 3.41Å; K290-D301 WeakPolarHBondContact CE-OD1 3.43Å; K290-D301 WeakPolarHBondContact CE-OD2 3.33Å; K290-D301 VanDerWaalsContact CG-OD1 3.31Å; K290-D301 WeakPolarHBondContact CG-OD1 3.29Å; K290-D301 IonicContact NZ-OD1 3.94Å; K290-D301 PolarHBondContact NZ-OD1 3.41Å; K290-D301 IonicContact NZ-OD2 3.9Å; K290-D301 PolarHBondContact NZ-OD2 3.1Å
302I94.6Very high88.3Confident0 Ų042.5 Ų42.50%023%0.229CC..EExtended strand (participates in β ladder)trans-105.7122-179.7-49.2179.4000110.2I217 L249 V251 L263 L267 I288 I289 L291 V300I217-I302 HydrophobicContact CG2-CD1 3.76Å; L249-I302 HydrophobicContact CB-CG1 4.32Å; L249-I302 HydrophobicContact CD1-CG1 4.4Å; L249-I302 WeakPolarHBondContact O-CA 3.09Å; V251-I302 HydrophobicContact CG2-CG2 3.63Å; L263-I302 HydrophobicContact CD2-CD1 4.19Å; L263-I302 HydrophobicContact CD2-CG2 3.98Å; L267-I302 HydrophobicContact CD1-CD1 3.96Å; I288-I302 CarbonylContact C-O 3.55Å; I288-I302 WeakPolarHBondContact CA-O 3.45Å; I289-I302 HydrophobicContact CB-CB 4.35Å; I289-I302 PolarHBondContact N-O 2.9Å; I289-I302 PolarHBondContact O-N 3.46Å; L291-I302 HydrophobicContact CD2-CD1 3.68Å; L291-I302 HydrophobicContact CD2-CG1 3.9Å; V300-I302 HydrophobicContact CG1-CG1 4.15Å
303S92.9Very high88Confident4 Ų441.6 Ų41.63%0.02822%0.224CC..EExtended strand (participates in β ladder)trans-116.7162.817666.30000111.5L249 V250 V251L249-S303 PolarHBondContact O-N 2.98Å; L249-S303 PolarHBondContact O-OG 3.11Å; L249-S303 VanDerWaalsContact O-OG 3.1Å; V250-S303 WeakPolarHBondContact CA-O 3.32Å; V251-S303 PolarHBondContact N-O 3.15Å
304F91.6Very high87.9Confident10 Ų1049.6 Ų49.64%0.04426%0.255CS..EExtended strand (participates in β ladder)trans-121.4132.4-179-74.8-97.1000111.6W225 V251 W255 L258 P259 L260 L263 I289 V306W225-F304 HydrophobicContact CZ3-CE1 4.17Å; W225-F304 HydrophobicContact CZ3-CZ 4.27Å; V251-F304 HydrophobicContact CB-CD1 3.95Å; V251-F304 HydrophobicContact CB-CE1 4Å; V251-F304 HydrophobicContact CG1-CD1 4.48Å; V251-F304 HydrophobicContact CG1-CE1 4.25Å; V251-F304 HydrophobicContact CG2-CE1 4.4Å; V251-F304 WeakPolarHBondContact O-CA 3.49Å; W255-F304 HydrophobicContact CE3-CD1 4.17Å; W255-F304 AromaticContact CH2-CD1 3.85Å; W255-F304 HydrophobicContact CH2-CD1 3.85Å; W255-F304 AromaticContact CH2-CE1 3.97Å; W255-F304 HydrophobicContact CH2-CE1 3.97Å; W255-F304 HydrophobicContact CZ2-CE1 4.3Å; W255-F304 AromaticContact CZ3-CD1 3.63Å; W255-F304 HydrophobicContact CZ3-CD1 3.63Å; W255-F304 HydrophobicContact CZ3-CE1 4.19Å; L258-F304 HydrophobicContact CD1-CB 4.45Å; L258-F304 HydrophobicContact CD2-CB 3.92Å; P259-F304 HydrophobicContact CG-CD1 4.26Å; P259-F304 HydrophobicContact CG-CE1 3.61Å; P259-F304 HydrophobicContact CG-CZ 3.99Å; L260-F304 HydrophobicContact CD2-CD2 3.77Å; L260-F304 HydrophobicContact CD2-CE2 3.86Å; L263-F304 HydrophobicContact CB-CZ 4.27Å; L263-F304 HydrophobicContact CD2-CE2 4.12Å; L263-F304 HydrophobicContact CD2-CZ 3.67Å; I289-F304 HydrophobicContact CD1-CE2 4.25Å; F304-V306 VanDerWaalsContact C-N 3.28Å; F304-V306 WeakPolarHBondContact O-CG2 3.31Å; F304-V306 PolarHBondContact O-N 3.38Å
305N87.7Confident88.1Confident64 Ų6448 Ų4834%0.34224%0.241SC..SBendtrans53.434.8175.2-68.8-26.8000115.3V251 F252 G253 N307V251-N305 PolarHBondContact O-N 3.33Å; F252-N305 VanDerWaalsContact CA-OD1 3.3Å; F252-N305 WeakPolarHBondContact CA-OD1 3.26Å; G253-N305 PolarHBondContact N-OD1 2.89Å; G253-N305 PolarHBondContact O-ND2 3.42Å; G253-N305 PolarHBondContact O-OD1 3Å; N305-N307 PolarHBondContact O-N 3.47Å; N305-N307 PolarHBondContact O-OD1 3.06Å
306V82.8Confident88.4Confident38 Ų3842.6 Ų42.623%0.2322%0.218CC..  trans-96.182.8-179.7-171.20000111.5V250 V286 F304 G308V250-V306 HydrophobicContact CG2-CB 4.09Å; V286-V306 HydrophobicContact CG1-CG2 3.68Å; F304-V306 VanDerWaalsContact C-N 3.28Å; F304-V306 WeakPolarHBondContact O-CG2 3.31Å; F304-V306 PolarHBondContact O-N 3.38Å; V306-G308 PolarHBondContact O-N 3.15Å; V306-G308 VanDerWaalsContact O-N 3.13Å
307N73.2Confident88.6Confident109 Ų10947.1 Ų47.158%0.58324%0.238SC*.THydrogen-bonded Turntrans-66.2-13-176.9-61.981.5000115.3F252 N305F252-N307 HydrophobicContact CE1-CB 4.49Å; F252-N307 WeakPolarHBondContact CE1-ND2 3.28Å; N305-N307 PolarHBondContact O-N 3.47Å; N305-N307 PolarHBondContact O-OD1 3.06Å
308G77.3Confident88.7Confident37 Ų3747.2 Ų47.238%0.38124%0.238SC..Hα-helixtrans-68.9-38.6-176.400000114.4V306 V310 K311 A312V306-G308 PolarHBondContact O-N 3.15Å; V306-G308 VanDerWaalsContact O-N 3.13Å; G308-V310 VanDerWaalsContact C-N 3.3Å; G308-V310 PolarHBondContact O-N 2.88Å; G308-K311 PolarHBondContact O-N 3.5Å; G308-K311 VanDerWaalsContact O-N 3.12Å; G308-A312 PolarHBondContact O-N 3.43Å
309G77.1Confident88.8Confident11 Ų1148 Ų4811%0.11324%0.242CC..Hα-helixtrans-60.4-36-172.300000114.1A312 A313G309-A312 PolarHBondContact O-N 3.44Å; G309-A313 WeakPolarHBondContact O-CB 3.4Å; G309-A313 PolarHBondContact O-N 2.85Å
310V79.2Confident88.8Confident37 Ų3746.1 Ų46.122%0.22423%0.233CC..Hα-helixtrans-69.2-38.4178.9-173.40000111.5Q231 G308 A313 R314Q231-V310 VanDerWaalsContact OE1-CG2 3.23Å; G308-V310 VanDerWaalsContact C-N 3.3Å; G308-V310 PolarHBondContact O-N 2.88Å; V310-A313 PolarHBondContact O-N 3.11Å; V310-R314 PolarHBondContact O-N 3Å
311K87.4Confident88.6Confident133 Ų13353.4 Ų53.458%0.57827%0.267SS*.Hα-helixtrans-68.9-42.9175.4-68-173.5177.4-173.60111.2G308 A313 R314 L315 L432G308-K311 PolarHBondContact O-N 3.5Å; G308-K311 VanDerWaalsContact O-N 3.12Å; K311-A313 VanDerWaalsContact C-N 3.29Å; K311-A313 PolarHBondContact O-N 2.94Å; K311-R314 PolarHBondContact O-N 3.4Å; K311-L315 PolarHBondContact O-N 3.39Å; K311-L315 VanDerWaalsContact O-N 3.08Å; K311-L432 HydrophobicContact CB-CD1 3.73Å; K311-L432 HydrophobicContact CB-CD2 4.14Å
312A88.7Confident88.5Confident15 Ų1557.4 Ų57.412%0.12428%0.284CS..Hα-helixtrans-60.4-39175.100000111.8G308 G309 R314 L315 I316 Y353 L432G308-A312 PolarHBondContact O-N 3.43Å; G309-A312 PolarHBondContact O-N 3.44Å; A312-R314 PolarHBondContact O-N 3.36Å; A312-L315 PolarHBondContact O-N 2.97Å; A312-I316 WeakPolarHBondContact O-CB 3.49Å; A312-I316 WeakPolarHBondContact O-CD1 3.47Å; A312-I316 WeakPolarHBondContact O-CG1 3.39Å; A312-I316 PolarHBondContact O-N 3.47Å; A312-Y353 HydrophobicContact CB-CE2 4.19Å; A312-L432 HydrophobicContact CB-CD1 4.02Å
313A88.4Confident88.4Confident10 Ų1058.1 Ų58.18%0.08329%0.287CS..Hα-helixtrans-64.3-34.1176.200000113.8S237 T238 G309 V310 K311 K317S237-A313 WeakPolarHBondContact OG-CB 3.34Å; T238-A313 HydrophobicContact CG2-CB 3.81Å; G309-A313 WeakPolarHBondContact O-CB 3.4Å; G309-A313 PolarHBondContact O-N 2.85Å; V310-A313 PolarHBondContact O-N 3.11Å; K311-A313 VanDerWaalsContact C-N 3.29Å; K311-A313 PolarHBondContact O-N 2.94Å; A313-K317 WeakPolarHBondContact O-CG 3.33Å; A313-K317 PolarHBondContact O-N 3.49Å
314R90.6Very high88.4Confident168 Ų16861.8 Ų61.863%0.63431%0.311SS*.Hα-helixtrans-69.2-51.3173.4-67.3178.9-173.2-167.1-1111.3V310 K311 A312 I316 K317 E318V310-R314 PolarHBondContact O-N 3Å; K311-R314 PolarHBondContact O-N 3.4Å; A312-R314 PolarHBondContact O-N 3.36Å; R314-I316 PolarHBondContact O-N 3.01Å; R314-K317 WeakPolarHBondContact O-CA 3.45Å; R314-K317 WeakPolarHBondContact O-CB 3.37Å; R314-K317 PolarHBondContact O-N 3.07Å; R314-E318 WeakPolarHBondContact O-CG 3.42Å; R314-E318 PolarHBondContact O-N 2.86Å
315L93.1Very high88.5Confident25 Ų2562 Ų6213%0.13131%0.312CS..Hα-helixtrans-56.6-37.1177.3-172.371.1000112.5K311 A312 F319 P431 L432K311-L315 PolarHBondContact O-N 3.39Å; K311-L315 VanDerWaalsContact O-N 3.08Å; A312-L315 PolarHBondContact O-N 2.97Å; L315-F319 HydrophobicContact CD1-CD2 4.12Å; L315-F319 HydrophobicContact CD1-CE2 3.75Å; L315-F319 HydrophobicContact CD2-CE2 4.3Å; L315-F319 HydrophobicContact CG-CD2 3.92Å; L315-F319 HydrophobicContact CG-CE2 3.85Å; L315-F319 VanDerWaalsContact O-CD2 3.31Å; L315-F319 WeakPolarHBondContact O-CD2 3.48Å; L315-F319 PolarHBondContact O-N 3.14Å; L315-P431 HydrophobicContact CD2-CB 3.84Å; L315-P431 HydrophobicContact CD2-CG 3.29Å; L315-L432 HydrophobicContact CD2-CD2 4.42Å; L315-L432 HydrophobicContact CD2-CG 4.35Å
316I94.1Very high88.8Confident17 Ų1758.9 Ų58.99%0.08730%0.296CS..Hα-helixtrans-63.1-40.3173.8-74162.9000111.5T238 L240 A312 R314 F319 K320 Y353 F356T238-I316 HydrophobicContact CG2-CB 3.78Å; T238-I316 HydrophobicContact CG2-CD1 4.03Å; T238-I316 HydrophobicContact CG2-CG2 3.52Å; L240-I316 HydrophobicContact CD1-CG2 3.81Å; A312-I316 WeakPolarHBondContact O-CB 3.49Å; A312-I316 WeakPolarHBondContact O-CD1 3.47Å; A312-I316 WeakPolarHBondContact O-CG1 3.39Å; A312-I316 PolarHBondContact O-N 3.47Å; R314-I316 PolarHBondContact O-N 3.01Å; I316-F319 PolarHBondContact O-N 2.89Å; I316-K320 HydrophobicContact CG2-CD 4.24Å; I316-K320 VanDerWaalsContact O-CG 3.27Å; I316-K320 WeakPolarHBondContact O-CG 3.49Å; I316-K320 PolarHBondContact O-N 2.89Å; I316-Y353 HydrophobicContact CD1-CD2 4.41Å; I316-F356 HydrophobicContact CB-CE1 4.21Å; I316-F356 HydrophobicContact CB-CE2 4.37Å; I316-F356 HydrophobicContact CB-CZ 3.95Å; I316-F356 HydrophobicContact CG1-CD1 3.85Å; I316-F356 HydrophobicContact CG1-CD2 4.4Å; I316-F356 HydrophobicContact CG1-CE1 3.63Å; I316-F356 HydrophobicContact CG1-CE2 4.21Å; I316-F356 HydrophobicContact CG1-CG 4.24Å; I316-F356 HydrophobicContact CG1-CZ 3.81Å; I316-F356 HydrophobicContact CG2-CD2 4.43Å; I316-F356 HydrophobicContact CG2-CE1 4.5Å; I316-F356 HydrophobicContact CG2-CE2 3.78Å; I316-F356 HydrophobicContact CG2-CZ 3.81Å
317K93.5Very high89.5Confident95 Ų9557.5 Ų57.541%0.41329%0.288SS..Hα-helixtrans-66.9-46.9176.9-69.2175.3-175.7-173.70111.4S237 A313 R314 F319 K320 E321S237-K317 WeakPolarHBondContact O-CE 3.48Å; S237-K317 PolarHBondContact O-NZ 3.31Å; A313-K317 WeakPolarHBondContact O-CG 3.33Å; A313-K317 PolarHBondContact O-N 3.49Å; R314-K317 WeakPolarHBondContact O-CA 3.45Å; R314-K317 WeakPolarHBondContact O-CB 3.37Å; R314-K317 PolarHBondContact O-N 3.07Å; K317-F319 VanDerWaalsContact C-N 3.29Å; K317-F319 PolarHBondContact O-N 3.02Å; K317-K320 WeakPolarHBondContact O-CB 3.43Å; K317-K320 PolarHBondContact O-N 2.84Å; K317-E321 PolarHBondContact O-N 3.35Å
318E94.1Very high90.6Very high106 Ų10655.3 Ų55.350%0.49527%0.272SS..Hα-helixtrans-53.3-44.2174.6-65.2156.4-140.900111.8R314 E321 K322R314-E318 WeakPolarHBondContact O-CG 3.42Å; R314-E318 PolarHBondContact O-N 2.86Å; E318-E321 PolarHBondContact O-N 3.16Å; E318-K322 WeakPolarHBondContact O-CB 3.17Å; E318-K322 PolarHBondContact O-N 2.84Å
319F94.8Very high91.5Very high22 Ų2253.6 Ų53.610%0.09625%0.254CS..Hα-helixtrans-73.8-29.5175.8-82.4-60.4000114.6L315 I316 K317 K322 Y323 L326 F356 V360 I401L315-F319 HydrophobicContact CD1-CD2 4.12Å; L315-F319 HydrophobicContact CD1-CE2 3.75Å; L315-F319 HydrophobicContact CD2-CE2 4.3Å; L315-F319 HydrophobicContact CG-CD2 3.92Å; L315-F319 HydrophobicContact CG-CE2 3.85Å; L315-F319 VanDerWaalsContact O-CD2 3.31Å; L315-F319 WeakPolarHBondContact O-CD2 3.48Å; L315-F319 PolarHBondContact O-N 3.14Å; I316-F319 PolarHBondContact O-N 2.89Å; K317-F319 VanDerWaalsContact C-N 3.29Å; K317-F319 PolarHBondContact O-N 3.02Å; F319-K322 HydrophobicContact CD1-CD 4.5Å; F319-Y323 AromaticContact CD1-CD2 3.94Å; F319-Y323 HydrophobicContact CD1-CD2 3.94Å; F319-Y323 AromaticContact CD1-CE2 3.75Å; F319-Y323 HydrophobicContact CD1-CE2 3.75Å; F319-Y323 HydrophobicContact CE1-CE2 4.09Å; F319-Y323 WeakPolarHBondContact O-CB 3.3Å; F319-Y323 PolarHBondContact O-N 2.78Å; F319-L326 HydrophobicContact CB-CD2 3.91Å; F319-F356 HydrophobicContact CB-CE1 4.06Å; F319-F356 HydrophobicContact CB-CZ 3.8Å; F319-F356 HydrophobicContact CD2-CE1 4.24Å; F319-V360 HydrophobicContact CB-CG2 4.05Å; F319-V360 HydrophobicContact CD1-CG1 3.73Å; F319-V360 HydrophobicContact CD1-CG2 4.14Å; F319-V360 HydrophobicContact CD2-CG1 4.28Å; F319-V360 HydrophobicContact CD2-CG2 4.16Å; F319-V360 HydrophobicContact CE1-CG1 3.49Å; F319-V360 VanDerWaalsContact CE1-CG1 3.49Å; F319-V360 HydrophobicContact CE2-CG1 4.08Å; F319-V360 HydrophobicContact CG-CG1 4.14Å; F319-V360 HydrophobicContact CG-CG2 3.87Å; F319-V360 HydrophobicContact CZ-CG1 3.68Å; F319-I401 HydrophobicContact CE2-CD1 3.52Å; F319-I401 HydrophobicContact CZ-CD1 3.72Å
320K93.4Very high92.5Very high51 Ų5153 Ų5322%0.22225%0.248CC..Hα-helixtrans-65.5-40171.4-73.2172.175.4-176.20111.3T238 L240 I316 K317 Y323 P327T238-K320 PolarHBondContact O-NZ 2.72Å; L240-K320 HydrophobicContact CD1-CD 3.89Å; L240-K320 HydrophobicContact CD1-CG 4.18Å; L240-K320 HydrophobicContact CD2-CD 4.35Å; L240-K320 HydrophobicContact CG-CD 4.05Å; I316-K320 HydrophobicContact CG2-CD 4.24Å; I316-K320 VanDerWaalsContact O-CG 3.27Å; I316-K320 WeakPolarHBondContact O-CG 3.49Å; I316-K320 PolarHBondContact O-N 2.89Å; K317-K320 WeakPolarHBondContact O-CB 3.43Å; K317-K320 PolarHBondContact O-N 2.84Å; K320-Y323 CarbonylContact O-C 3.31Å; K320-Y323 VanDerWaalsContact O-C 3.31Å; K320-P327 HydrophobicContact CG-CG 4.17Å
321E92.6Very high93.4Very high153 Ų15351.3 Ų51.372%0.71524%0.238SC*.Hα-helixtrans-69.8-43.8178-71.5163.8-15200111.1K317 E318 Y323K317-E321 PolarHBondContact O-N 3.35Å; E318-E321 PolarHBondContact O-N 3.16Å; E321-Y323 VanDerWaalsContact C-N 3.34Å; E321-Y323 PolarHBondContact O-N 3.27Å
322K91.7Very high93.9Very high101 Ų10145 Ų4544%0.43921%0.21SC..Hα-helixtrans-64.3-35.3175.6-169.9-179.6-177.5-165.80113.4E318 F319 S371E318-K322 WeakPolarHBondContact O-CB 3.17Å; E318-K322 PolarHBondContact O-N 2.84Å; F319-K322 HydrophobicContact CD1-CD 4.5Å; K322-S371 PolarHBondContact O-OG 3.49Å
323Y92.9Very high94.4Very high15 Ų1544.2 Ų44.26%0.05920%0.204CC..  trans-128.684.6-176.3-58.7-60.4000111.5F319 K320 E321 V325 L326 L363 Q364 V370F319-Y323 AromaticContact CD1-CD2 3.94Å; F319-Y323 HydrophobicContact CD1-CD2 3.94Å; F319-Y323 AromaticContact CD1-CE2 3.75Å; F319-Y323 HydrophobicContact CD1-CE2 3.75Å; F319-Y323 HydrophobicContact CE1-CE2 4.09Å; F319-Y323 WeakPolarHBondContact O-CB 3.3Å; F319-Y323 PolarHBondContact O-N 2.78Å; K320-Y323 CarbonylContact O-C 3.31Å; K320-Y323 VanDerWaalsContact O-C 3.31Å; E321-Y323 VanDerWaalsContact C-N 3.34Å; E321-Y323 PolarHBondContact O-N 3.27Å; Y323-V325 PolarHBondContact O-N 3.02Å; Y323-L326 WeakPolarHBondContact O-CB 3.35Å; Y323-L326 PolarHBondContact O-N 3.23Å; Y323-L363 HydrophobicContact CD1-CB 4.45Å; Y323-L363 HydrophobicContact CG-CB 4.48Å; Y323-L363 HydrophobicContact CG-CD1 4.18Å; Y323-Q364 HydrophobicContact CE2-CG 4.3Å; Y323-V370 HydrophobicContact CD1-CB 4.49Å; Y323-V370 HydrophobicContact CD1-CG2 3.57Å; Y323-V370 HydrophobicContact CE1-CG2 3.45Å; Y323-V370 VanDerWaalsContact CE1-CG2 3.45Å
324P92.3Very high94.7Very high81 Ų8144.6 Ų44.653%0.52620%0.204SC..THydrogen-bonded Turntrans-58.9-17.8-177.2-28.236.7000115.8P327 Y328P324-P327 WeakPolarHBondContact O-CD 3.49Å; P324-Y328 WeakPolarHBondContact O-CE2 3.49Å
325V93.8Very high95Very high13 Ų1336.8 Ų36.88%0.07917%0.174CC..THydrogen-bonded Turntrans-80.2-17173.4-65.40000114.4Y323 Y328 L329 L363 I375 I377 L380Y323-V325 PolarHBondContact O-N 3.02Å; V325-Y328 PolarHBondContact O-N 3.43Å; V325-L329 PolarHBondContact O-N 3.26Å; V325-L363 HydrophobicContact CG2-CD1 3.88Å; V325-L363 HydrophobicContact CG2-CD2 4.02Å; V325-I375 HydrophobicContact CG1-CG2 3.61Å; V325-I377 HydrophobicContact CB-CG1 4.43Å; V325-I377 HydrophobicContact CG1-CD1 4.46Å; V325-I377 HydrophobicContact CG1-CG1 3.97Å; V325-L380 HydrophobicContact CB-CD1 4.31Å; V325-L380 HydrophobicContact CG1-CD1 4.47Å; V325-L380 HydrophobicContact CG2-CD1 3.96Å
326L94.9Very high95.2Very high0 Ų035.6 Ų35.60%017%0.168CC..Hα-helixtrans-61.5-40.4-174.5-176.262.4000113.7F319 Y323 Y328 L329 V330 F356 A359 V360 L363F319-L326 HydrophobicContact CB-CD2 3.91Å; Y323-L326 WeakPolarHBondContact O-CB 3.35Å; Y323-L326 PolarHBondContact O-N 3.23Å; L326-Y328 PolarHBondContact O-N 2.9Å; L326-L329 PolarHBondContact O-N 2.66Å; L326-V330 HydrophobicContact CD1-CG2 3.73Å; L326-V330 HydrophobicContact CG-CG2 4.11Å; L326-V330 WeakPolarHBondContact O-CB 3.38Å; L326-V330 WeakPolarHBondContact O-CG2 3.32Å; L326-V330 PolarHBondContact O-N 3.49Å; L326-F356 HydrophobicContact CD2-CD2 4.47Å; L326-F356 HydrophobicContact CD2-CE1 4.37Å; L326-F356 HydrophobicContact CD2-CE2 3.55Å; L326-F356 HydrophobicContact CD2-CZ 3.49Å; L326-F356 VanDerWaalsContact CD2-CZ 3.49Å; L326-F356 HydrophobicContact CG-CE2 3.97Å; L326-F356 HydrophobicContact CG-CZ 4.4Å; L326-A359 HydrophobicContact CD1-CB 3.62Å; L326-V360 HydrophobicContact CD1-CG2 4.29Å; L326-V360 HydrophobicContact CD2-CG2 3.69Å; L326-L363 HydrophobicContact CB-CD1 3.99Å; L326-L363 HydrophobicContact CD1-CD1 3.92Å; L326-L363 HydrophobicContact CG-CD1 4.49Å
327P96.1Very high95.3Very high9 Ų934.8 Ų34.86%0.05816%0.164CC..Hα-helixtrans-57-44.6174.2-25.535.5000113.5Y197 L240 K320 P324 V330 L331Y197-P327 HydrophobicContact CE2-CB 3.48Å; Y197-P327 VanDerWaalsContact CE2-CB 3.48Å; L240-P327 HydrophobicContact CD2-CB 3.86Å; L240-P327 HydrophobicContact CD2-CG 4.45Å; K320-P327 HydrophobicContact CG-CG 4.17Å; P324-P327 WeakPolarHBondContact O-CD 3.49Å; P327-V330 PolarHBondContact O-N 3.24Å; P327-L331 PolarHBondContact O-N 2.85Å
328Y96.6Very high95.3Very high62 Ų6231.4 Ų31.424%0.24315%0.15CC..Hα-helixtrans-60.8-50-179.8-61.9-94000111.5I193 K194 Y197 P324 V325 L326 V332 I377I193-Y328 HydrophobicContact CG2-CD1 4.47Å; K194-Y328 HydrophobicContact CG-CD1 4.38Å; K194-Y328 HydrophobicContact CG-CE1 3.97Å; Y197-Y328 VanDerWaalsContact CB-CD1 3.41Å; Y197-Y328 AromaticContact CD1-CD1 3.77Å; Y197-Y328 HydrophobicContact CD1-CD1 3.77Å; Y197-Y328 AromaticContact CD1-CE1 3.35Å; Y197-Y328 HydrophobicContact CD1-CE1 3.35Å; Y197-Y328 AromaticContact CD1-CZ 3.85Å; Y197-Y328 AromaticContact CD2-CD1 3.9Å; Y197-Y328 HydrophobicContact CD2-CD1 3.9Å; Y197-Y328 HydrophobicContact CD2-CE1 4.31Å; Y197-Y328 HydrophobicContact CD2-CG 4.11Å; Y197-Y328 HydrophobicContact CE1-CE1 4.01Å; Y197-Y328 AromaticContact CG-CD1 3.4Å; Y197-Y328 HydrophobicContact CG-CD1 3.4Å; Y197-Y328 AromaticContact CG-CE1 3.53Å; Y197-Y328 HydrophobicContact CG-CE1 3.53Å; Y197-Y328 HydrophobicContact CG-CG 4.08Å; P324-Y328 WeakPolarHBondContact O-CE2 3.49Å; V325-Y328 PolarHBondContact O-N 3.43Å; L326-Y328 PolarHBondContact O-N 2.9Å; Y328-V332 WeakPolarHBondContact O-CG2 3.38Å; Y328-V332 PolarHBondContact O-N 3.13Å; Y328-I377 HydrophobicContact CD1-CD1 4.08Å; Y328-I377 HydrophobicContact CD2-CD1 4.1Å; Y328-I377 HydrophobicContact CG-CD1 3.84Å
329L97.3Very high95.3Very high1 Ų126.8 Ų26.81%0.00513%0.129CC..Hα-helixtrans-63.5-45.3177.3-65.9175000111.4V325 L326 L331 V332 L333 F362 L363 I377 L380 L381V325-L329 PolarHBondContact O-N 3.26Å; L326-L329 PolarHBondContact O-N 2.66Å; L329-L331 PolarHBondContact O-N 3.15Å; L329-V332 PolarHBondContact O-N 3.25Å; L329-L333 WeakPolarHBondContact O-CB 3.4Å; L329-L333 WeakPolarHBondContact O-CD1 3.3Å; L329-L333 WeakPolarHBondContact O-CG 3.41Å; L329-L333 PolarHBondContact O-N 3.48Å; L329-F362 HydrophobicContact CD1-CE1 4.44Å; L329-L363 HydrophobicContact CD1-CD1 4.42Å; L329-L363 HydrophobicContact CD1-CD2 3.95Å; L329-L363 HydrophobicContact CD1-CG 4.44Å; L329-I377 HydrophobicContact CD2-CG2 3.78Å; L329-I377 HydrophobicContact CG-CG2 4.17Å; L329-L380 HydrophobicContact CD1-CB 4.2Å; L329-L380 HydrophobicContact CD1-CD1 4.35Å; L329-L380 HydrophobicContact CD2-CB 4.21Å; L329-L381 HydrophobicContact CD2-CB 3.97Å; L329-L381 HydrophobicContact CD2-CD1 4.21Å
330V97.7Very high95.1Very high0 Ų028.9 Ų28.90%014%0.136CC..Hα-helixtrans-65.3-40.8-176.4169.90000112.2L240 L326 P327 L333 K334 F356 A359L240-V330 HydrophobicContact CD1-CG1 4.32Å; L326-V330 HydrophobicContact CD1-CG2 3.73Å; L326-V330 HydrophobicContact CG-CG2 4.11Å; L326-V330 WeakPolarHBondContact O-CB 3.38Å; L326-V330 WeakPolarHBondContact O-CG2 3.32Å; L326-V330 PolarHBondContact O-N 3.49Å; P327-V330 PolarHBondContact O-N 3.24Å; V330-L333 PolarHBondContact O-N 2.62Å; V330-K334 HydrophobicContact CG1-CD 4.19Å; V330-K334 HydrophobicContact CG1-CG 4.31Å; V330-K334 WeakPolarHBondContact O-CB 3.14Å; V330-K334 VanDerWaalsContact O-CG 3.29Å; V330-K334 WeakPolarHBondContact O-CG 3.28Å; V330-K334 PolarHBondContact O-N 2.69Å; V330-F356 HydrophobicContact CG1-CD2 4.45Å; V330-F356 HydrophobicContact CG2-CD2 3.91Å; V330-F356 HydrophobicContact CG2-CE2 4.48Å; V330-A359 HydrophobicContact CG2-CB 4.04Å
331L97.4Very high95.1Very high0 Ų029.2 Ų29.20%014%0.14CC..Hα-helixtrans-69.8-39.2178.1-65.7-171.1000112.5Y197 I200 L242 P327 L329 K334 Q335Y197-L331 HydrophobicContact CD2-CB 4.49Å; Y197-L331 HydrophobicContact CD2-CD1 3.74Å; Y197-L331 HydrophobicContact CD2-CG 4.36Å; Y197-L331 HydrophobicContact CE2-CD1 3.65Å; Y197-L331 HydrophobicContact CE2-CG 4.31Å; I200-L331 HydrophobicContact CG2-CB 4.1Å; I200-L331 HydrophobicContact CG2-CD1 3.9Å; L242-L331 HydrophobicContact CD2-CD2 4.3Å; P327-L331 PolarHBondContact O-N 2.85Å; L329-L331 PolarHBondContact O-N 3.15Å; L331-K334 PolarHBondContact O-N 2.99Å; L331-Q335 PolarHBondContact O-N 2.96Å
332V98.1Very high95.1Very high0 Ų023.1 Ų23.10%011%0.113CC..Hα-helixtrans-59.9-48.5172.4170.60000110.9I193 F196 Y328 L329 Q335 F336 L381 L479 I483I193-V332 HydrophobicContact CG1-CG2 4.42Å; I193-V332 HydrophobicContact CG2-CG2 4.09Å; F196-V332 HydrophobicContact CD1-CG2 3.53Å; F196-V332 HydrophobicContact CE1-CB 4.27Å; F196-V332 HydrophobicContact CE1-CG2 3.57Å; Y328-V332 WeakPolarHBondContact O-CG2 3.38Å; Y328-V332 PolarHBondContact O-N 3.13Å; L329-V332 PolarHBondContact O-N 3.25Å; V332-Q335 PolarHBondContact O-N 3.29Å; V332-F336 VanDerWaalsContact O-CB 3.27Å; V332-F336 WeakPolarHBondContact O-CB 3.35Å; V332-F336 PolarHBondContact O-N 2.92Å; V332-L381 HydrophobicContact CB-CD1 4.49Å; V332-L381 HydrophobicContact CG1-CD1 3.79Å; V332-L381 HydrophobicContact CG1-CD2 3.82Å; V332-L381 HydrophobicContact CG1-CG 4.49Å; V332-L479 HydrophobicContact CG1-CD1 3.99Å; V332-L479 HydrophobicContact CG2-CD2 4.47Å; V332-I483 HydrophobicContact CG1-CD1 4.42Å
333L98.2Very high95.2Very high0 Ų020.2 Ų20.20%010%0.102CC..Hα-helixtrans-66.9-37-178.9-69.2170000112.4L329 V330 F336 L337 L355 L381 F384 F385 F452L329-L333 WeakPolarHBondContact O-CB 3.4Å; L329-L333 WeakPolarHBondContact O-CD1 3.3Å; L329-L333 WeakPolarHBondContact O-CG 3.41Å; L329-L333 PolarHBondContact O-N 3.48Å; V330-L333 PolarHBondContact O-N 2.62Å; L333-F336 PolarHBondContact O-N 3.05Å; L333-L337 PolarHBondContact O-N 3.33Å; L333-L337 VanDerWaalsContact O-N 3.11Å; L333-L355 HydrophobicContact CB-CD1 4.25Å; L333-L355 HydrophobicContact CB-CD2 4.01Å; L333-L355 HydrophobicContact CB-CG 4.38Å; L333-L381 HydrophobicContact CD2-CD1 4.25Å; L333-L381 HydrophobicContact CG-CD1 4.46Å; L333-F384 HydrophobicContact CD1-CD1 3.9Å; L333-F384 HydrophobicContact CD1-CD2 4.12Å; L333-F384 HydrophobicContact CD1-CE1 3.57Å; L333-F384 HydrophobicContact CD1-CE2 3.76Å; L333-F384 HydrophobicContact CD1-CG 4.19Å; L333-F384 HydrophobicContact CD1-CZ 3.49Å; L333-F384 VanDerWaalsContact CD1-CZ 3.49Å; L333-F384 HydrophobicContact CD2-CD1 3.65Å; L333-F384 HydrophobicContact CD2-CE1 3.42Å; L333-F384 VanDerWaalsContact CD2-CE1 3.42Å; L333-F384 HydrophobicContact CD2-CZ 4.19Å; L333-F384 HydrophobicContact CG-CD1 4.42Å; L333-F384 HydrophobicContact CG-CE1 4.15Å; L333-F384 HydrophobicContact CG-CZ 4.48Å; L333-F385 HydrophobicContact CD2-CD1 4.27Å; L333-F385 HydrophobicContact CD2-CE1 3.44Å; L333-F385 VanDerWaalsContact CD2-CE1 3.44Å; L333-F385 HydrophobicContact CD2-CZ 3.68Å; L333-F452 HydrophobicContact CD2-CE1 4.35Å
334K96.6Very high95Very high17 Ų1723.3 Ų23.37%0.07412%0.117CC..Hα-helixtrans-62.5-49.1173.1-79.7-173177.8-161.40111.5L240 L242 V330 L331 F336 L337 L338 S352 L355L240-K334 PolarHBondContact O-NZ 3.42Å; L242-K334 HydrophobicContact CD1-CB 3.86Å; L242-K334 HydrophobicContact CG-CB 4.31Å; V330-K334 HydrophobicContact CG1-CD 4.19Å; V330-K334 HydrophobicContact CG1-CG 4.31Å; V330-K334 WeakPolarHBondContact O-CB 3.14Å; V330-K334 VanDerWaalsContact O-CG 3.29Å; V330-K334 WeakPolarHBondContact O-CG 3.28Å; V330-K334 PolarHBondContact O-N 2.69Å; L331-K334 PolarHBondContact O-N 2.99Å; K334-F336 VanDerWaalsContact C-N 3.3Å; K334-F336 PolarHBondContact O-N 2.82Å; K334-L337 PolarHBondContact O-N 3.39Å; K334-L338 VanDerWaalsContact O-CB 3.26Å; K334-L338 WeakPolarHBondContact O-CB 3.44Å; K334-L338 PolarHBondContact O-N 2.83Å; K334-S352 VanDerWaalsContact CE-OG 3.29Å; K334-S352 WeakPolarHBondContact CE-OG 3.4Å; K334-S352 PolarHBondContact NZ-OG 3.18Å; K334-L355 HydrophobicContact CG-CD2 3.85Å
335Q96.4Very high94.8Very high4 Ų422.2 Ų22.22%0.01911%0.108CC..Hα-helixtrans-61.8-41.7178.1-177.461.315.200111.1F196 L242 L331 V332 L337 L338 Q339 I483 R484F196-Q335 HydrophobicContact CE2-CG 4.44Å; F196-Q335 HydrophobicContact CZ-CB 3.95Å; F196-Q335 HydrophobicContact CZ-CG 4.16Å; L242-Q335 HydrophobicContact CD1-CB 4.41Å; L242-Q335 HydrophobicContact CD2-CB 4.43Å; L331-Q335 PolarHBondContact O-N 2.96Å; V332-Q335 PolarHBondContact O-N 3.29Å; Q335-L337 VanDerWaalsContact C-N 3.35Å; Q335-L337 PolarHBondContact O-N 3Å; Q335-L338 PolarHBondContact O-N 2.85Å; Q335-Q339 WeakPolarHBondContact O-CG 3.44Å; Q335-Q339 PolarHBondContact O-N 3.2Å; Q335-I483 HydrophobicContact CG-CB 4.24Å; Q335-I483 HydrophobicContact CG-CD1 4.36Å; Q335-R484 PolarHBondContact NE2-O 3.35Å
336F96.9Very high94.2Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-57.5-41.7177.8179-90.2000113.5V332 L333 K334 R340 F385 A451 F452 A455 I482 I483V332-F336 VanDerWaalsContact O-CB 3.27Å; V332-F336 WeakPolarHBondContact O-CB 3.35Å; V332-F336 PolarHBondContact O-N 2.92Å; L333-F336 PolarHBondContact O-N 3.05Å; K334-F336 VanDerWaalsContact C-N 3.3Å; K334-F336 PolarHBondContact O-N 2.82Å; F336-R340 VanDerWaalsContact CE2-NH1 3.27Å; F336-R340 WeakPolarHBondContact O-CD 3.43Å; F336-R340 WeakPolarHBondContact O-CG 3.48Å; F336-R340 PolarHBondContact O-NH1 2.91Å; F336-F385 HydrophobicContact CD1-CE1 4.21Å; F336-F385 HydrophobicContact CD1-CZ 4.5Å; F336-F385 HydrophobicContact CD2-CZ 4.26Å; F336-F385 HydrophobicContact CE1-CE1 4.31Å; F336-F385 HydrophobicContact CG-CE1 4.41Å; F336-F385 HydrophobicContact CG-CZ 4.25Å; F336-A451 HydrophobicContact CE1-CB 3.81Å; F336-A451 HydrophobicContact CZ-CB 3.96Å; F336-A451 VanDerWaalsContact CZ-O 3.31Å; F336-A451 WeakPolarHBondContact CZ-O 3.47Å; F336-F452 HydrophobicContact CD1-CD1 4.2Å; F336-F452 HydrophobicContact CD1-CE1 4.06Å; F336-F452 AromaticContact CE1-CD1 3.77Å; F336-F452 HydrophobicContact CE1-CD1 3.77Å; F336-F452 HydrophobicContact CE1-CE1 4.05Å; F336-A455 HydrophobicContact CE2-CB 3.65Å; F336-A455 HydrophobicContact CZ-CB 3.76Å; F336-I482 HydrophobicContact CD2-CB 4.14Å; F336-I482 HydrophobicContact CD2-CD1 4.15Å; F336-I482 HydrophobicContact CE2-CB 4.07Å; F336-I483 HydrophobicContact CB-CG2 3.62Å; F336-I483 HydrophobicContact CD2-CG2 3.92Å; F336-I483 HydrophobicContact CG-CG2 4.28Å
337L96.1Very high93.7Very high1 Ų132.3 Ų32.31%0.00516%0.158CC..Hα-helixtrans-79.6-38.9175.9-63.5-172.7000112.8L333 K334 Q335 Q339 R340 D341 L342 N343 I350 L355 V448 F452L333-L337 PolarHBondContact O-N 3.33Å; L333-L337 VanDerWaalsContact O-N 3.11Å; K334-L337 PolarHBondContact O-N 3.39Å; Q335-L337 VanDerWaalsContact C-N 3.35Å; Q335-L337 PolarHBondContact O-N 3Å; L337-Q339 PolarHBondContact O-N 3.04Å; L337-R340 PolarHBondContact O-N 2.99Å; L337-R340 VanDerWaalsContact O-N 3.14Å; L337-D341 PolarHBondContact O-N 2.88Å; L337-L342 HydrophobicContact CB-CB 4.18Å; L337-L342 HydrophobicContact CD2-CB 3.98Å; L337-L342 HydrophobicContact CD2-CD1 4.34Å; L337-L342 PolarHBondContact O-N 3.17Å; L337-N343 HydrophobicContact CB-CB 4.33Å; L337-I350 HydrophobicContact CD1-CB 4.15Å; L337-L355 HydrophobicContact CD1-CD1 3.98Å; L337-L355 HydrophobicContact CD1-CD2 4.1Å; L337-V448 HydrophobicContact CD1-CG1 4.27Å; L337-V448 HydrophobicContact CD2-CG1 3.5Å; L337-F452 HydrophobicContact CD2-CE1 3.89Å; L337-F452 HydrophobicContact CD2-CZ 4.31Å
338L94.2Very high93.2Very high23 Ų2332 Ų3212%0.1216%0.155CC..Hα-helixtrans-59.9-47.8-178.6177.463.7000111.8N146 A148 L242 T244 K334 Q335 R340 D341N146-L338 PolarHBondContact ND2-O 3.22Å; A148-L338 HydrophobicContact CB-CD2 3.81Å; A148-L338 HydrophobicContact CB-CG 4.01Å; L242-L338 HydrophobicContact CD1-CB 4.39Å; L242-L338 HydrophobicContact CD1-CD2 3.65Å; T244-L338 WeakPolarHBondContact OG1-CD2 3.28Å; K334-L338 VanDerWaalsContact O-CB 3.26Å; K334-L338 WeakPolarHBondContact O-CB 3.44Å; K334-L338 PolarHBondContact O-N 2.83Å; Q335-L338 PolarHBondContact O-N 2.85Å; L338-R340 PolarHBondContact O-N 2.98Å; L338-D341 PolarHBondContact O-N 2.81Å; L338-D341 VanDerWaalsContact O-N 3.14Å
339Q92.8Very high93.1Very high9 Ų929.1 Ų29.14%0.04215%0.145CC..THydrogen-bonded Turntrans-68-5.2-179.573.7-177.975.900114.5A148 T150 Q335 L337 R484A148-Q339 WeakPolarHBondContact O-CA 3.44Å; A148-Q339 WeakPolarHBondContact O-CB 3.49Å; T150-Q339 HydrophobicContact CG2-CB 3.87Å; T150-Q339 HydrophobicContact CG2-CG 4.37Å; T150-Q339 PolarHBondContact N-O 2.87Å; T150-Q339 PolarHBondContact OG1-NE2 3.3Å; Q335-Q339 WeakPolarHBondContact O-CG 3.44Å; Q335-Q339 PolarHBondContact O-N 3.2Å; L337-Q339 PolarHBondContact O-N 3.04Å; Q339-R484 PolarHBondContact OE1-O 3.34Å
340R91.6Very high93Very high66 Ų6629.1 Ų29.125%0.24915%0.145CC..THydrogen-bonded Turntrans-112.63.3179.8-65.8177.7172.370.54.8113.1F336 L337 L338 L342 I482F336-R340 VanDerWaalsContact CE2-NH1 3.27Å; F336-R340 WeakPolarHBondContact O-CD 3.43Å; F336-R340 WeakPolarHBondContact O-CG 3.48Å; F336-R340 PolarHBondContact O-NH1 2.91Å; L337-R340 PolarHBondContact O-N 2.99Å; L337-R340 VanDerWaalsContact O-N 3.14Å; L338-R340 PolarHBondContact O-N 2.98Å; R340-L342 HydrophobicContact CB-CB 4.37Å; R340-L342 HydrophobicContact CB-CD1 3.82Å; R340-L342 HydrophobicContact CB-CG 3.89Å; R340-L342 PolarHBondContact O-N 2.97Å; R340-I482 PolarHBondContact NH1-O 3.39Å; R340-I482 PolarHBondContact NH2-O 3.03Å
341D92.3Very high92.7Very high58 Ų5829.6 Ų29.631%0.3115%0.15SC..THydrogen-bonded Turntrans59.926.8-173.4-50.7-57.6000113.4N146 L337 L338N146-D341 PolarHBondContact ND2-OD1 2.88Å; L337-D341 PolarHBondContact O-N 2.88Å; L338-D341 PolarHBondContact O-N 2.81Å; L338-D341 VanDerWaalsContact O-N 3.14Å
342L93.9Very high92.5Very high26 Ų2632.4 Ų32.414%0.13617%0.17CC..  trans-102.73.2-174.8-68.7177.8000114.5L337 R340 G349 I350 Q447 V448 A451L337-L342 HydrophobicContact CB-CB 4.18Å; L337-L342 HydrophobicContact CD2-CB 3.98Å; L337-L342 HydrophobicContact CD2-CD1 4.34Å; L337-L342 PolarHBondContact O-N 3.17Å; R340-L342 HydrophobicContact CB-CB 4.37Å; R340-L342 HydrophobicContact CB-CD1 3.82Å; R340-L342 HydrophobicContact CB-CG 3.89Å; R340-L342 PolarHBondContact O-N 2.97Å; L342-G349 CarbonylContact O-C 3.53Å; L342-G349 WeakPolarHBondContact O-CA 3.43Å; L342-I350 PolarHBondContact O-N 3.39Å; L342-Q447 HydrophobicContact CD2-CB 4.24Å; L342-V448 HydrophobicContact CB-CG2 4.14Å; L342-V448 HydrophobicContact CD1-CG2 4.29Å; L342-V448 HydrophobicContact CD2-CG2 4.19Å; L342-V448 HydrophobicContact CG-CG2 4.43Å; L342-A451 HydrophobicContact CD1-CB 3.85Å
343N92.7Very high92.3Very high40 Ų4034.8 Ų34.821%0.21418%0.179CC..SBendtrans-86.2-14.517967.5-72.7000113.8L337L337-N343 HydrophobicContact CB-CB 4.33Å
344E88.8Confident92.1Very high79 Ų7935 Ų3537%0.36918%0.181SC..  trans-92117-171.4-71.9-57.3141.900112.7F346 T347 G348 G349E344-F346 PolarHBondContact O-N 3.49Å; E344-T347 HydrophobicContact CB-CG2 4.48Å; E344-T347 PolarHBondContact O-N 3.12Å; E344-T347 PolarHBondContact O-OG1 3.19Å; E344-G348 PolarHBondContact O-N 2.87Å; E344-G349 WeakPolarHBondContact O-CA 3.31Å; E344-G349 PolarHBondContact O-N 3.48Å
345V87.7Confident92.2Very high58 Ų5834.4 Ų34.435%0.35218%0.178SC..G310 helixtrans-66.3-23.4176.4-63.50000113.1T347 G348V345-T347 VanDerWaalsContact C-N 3.3Å; V345-T347 PolarHBondContact O-N 2.72Å; V345-G348 PolarHBondContact O-N 2.82Å; V345-G348 VanDerWaalsContact O-N 3.12Å
346F82.8Confident92.2Very high157 Ų15734.4 Ų34.469%0.68918%0.178SC*.G310 helixtrans-66.5-28.7175171.6-102.9000113.2E344 Y443E344-F346 PolarHBondContact O-N 3.49Å; F346-Y443 PolarHBondContact O-OH 3.26Å; F346-Y443 VanDerWaalsContact O-OH 3.14Å
347T84.2Confident92.2Very high69 Ų6934.4 Ų34.442%0.42318%0.178SC..G310 helixtrans-91.6-3173.257.60000112.6E344 V345 Y443E344-T347 HydrophobicContact CB-CG2 4.48Å; E344-T347 PolarHBondContact O-N 3.12Å; E344-T347 PolarHBondContact O-OG1 3.19Å; V345-T347 VanDerWaalsContact C-N 3.3Å; V345-T347 PolarHBondContact O-N 2.72Å; T347-Y443 PolarHBondContact O-OH 3.12Å
348G85.8Confident92.3Very high1 Ų134.3 Ų34.31%0.0118%0.178CC..THydrogen-bonded Turntrans94.35.2-175.800000114.4E344 V345 S442 Y443 G444E344-G348 PolarHBondContact O-N 2.87Å; V345-G348 PolarHBondContact O-N 2.82Å; V345-G348 VanDerWaalsContact O-N 3.12Å; G348-S442 CarbonylContact O-C 3.52Å; G348-S442 WeakPolarHBondContact O-CA 3.27Å; G348-Y443 VanDerWaalsContact CA-CZ 3.48Å; G348-Y443 PolarHBondContact N-OH 3.19Å; G348-G444 CarbonylContact O-C 3.6Å; G348-G444 VanDerWaalsContact O-C 3.31Å; G348-G444 WeakPolarHBondContact O-CA 3.21Å; G348-G444 PolarHBondContact O-N 3.37Å
349G92.9Very high92.4Very high2 Ų233.2 Ų33.22%0.02117%0.172CC..  trans-65.2-178.8174.800000114.4L342 E344 S442L342-G349 CarbonylContact O-C 3.53Å; L342-G349 WeakPolarHBondContact O-CA 3.43Å; E344-G349 WeakPolarHBondContact O-CA 3.31Å; E344-G349 PolarHBondContact O-N 3.48Å; G349-S442 WeakPolarHBondContact O-CA 3.18Å; G349-S442 VanDerWaalsContact O-CB 3.28Å; G349-S442 WeakPolarHBondContact O-CB 3.17Å; G349-S442 PolarHBondContact O-OG 3.49Å
350I95Very high92.6Very high1 Ų132.8 Ų32.81%0.00517%0.17CC..  trans-97.9115.6178.3-61.5-178.2000109.1L337 L342 L355 M358 L426 V448L337-I350 HydrophobicContact CD1-CB 4.15Å; L342-I350 PolarHBondContact O-N 3.39Å; I350-L355 HydrophobicContact CG2-CB 3.98Å; I350-L355 HydrophobicContact CG2-CD1 4.46Å; I350-M358 HydrophobicContact CD1-CE 4.39Å; I350-M358 HydrophobicContact CD1-SD 3.92Å; I350-M358 HydrophobicContact CG2-SD 4.21Å; I350-L426 HydrophobicContact CD1-CD2 3.59Å; I350-L426 HydrophobicContact CG1-CD2 3.81Å; I350-L426 HydrophobicContact CG2-CD2 4.27Å; I350-V448 HydrophobicContact CD1-CB 3.84Å; I350-V448 HydrophobicContact CD1-CG1 3.63Å; I350-V448 HydrophobicContact CD1-CG2 4.17Å; I350-V448 HydrophobicContact CG1-CB 4.24Å; I350-V448 HydrophobicContact CG1-CG1 4.26Å; I350-V448 HydrophobicContact CG1-CG2 3.99Å
351G92.6Very high92.9Very high10 Ų1029.7 Ų29.710%0.10316%0.158CC..  trans-70.4158.4179.700000113.5Y353 S354 L355G351-Y353 VanDerWaalsContact C-N 3.28Å; G351-Y353 PolarHBondContact O-N 3.4Å; G351-Y353 VanDerWaalsContact O-N 3.15Å; G351-S354 WeakPolarHBondContact O-CB 3.43Å; G351-S354 PolarHBondContact O-N 3.12Å; G351-S354 VanDerWaalsContact O-N 3.14Å; G351-L355 PolarHBondContact O-N 2.78Å
352S92.6Very high93.1Very high60 Ų6027.4 Ų27.442%0.4215%0.146SC..Hα-helixtrans-52.4-38.8-175.5-850000114.7K334 F356K334-S352 VanDerWaalsContact CE-OG 3.29Å; K334-S352 WeakPolarHBondContact CE-OG 3.4Å; K334-S352 PolarHBondContact NZ-OG 3.18Å; S352-F356 WeakPolarHBondContact O-CB 3.34Å; S352-F356 PolarHBondContact O-N 3.28Å; S352-F356 VanDerWaalsContact O-N 3.12Å
353Y93.5Very high93.2Very high49 Ų4926.3 Ų26.319%0.19214%0.14CC..Hα-helixtrans-74.7-45.2178.9-174.8-134.4000111.6A312 I316 G351 L355 F356 L357 D430 P431 V438A312-Y353 HydrophobicContact CB-CE2 4.19Å; I316-Y353 HydrophobicContact CD1-CD2 4.41Å; G351-Y353 VanDerWaalsContact C-N 3.28Å; G351-Y353 PolarHBondContact O-N 3.4Å; G351-Y353 VanDerWaalsContact O-N 3.15Å; Y353-L355 VanDerWaalsContact C-N 3.29Å; Y353-L355 PolarHBondContact O-N 2.96Å; Y353-F356 WeakPolarHBondContact O-CB 3.27Å; Y353-F356 PolarHBondContact O-N 2.78Å; Y353-F356 VanDerWaalsContact O-N 3.13Å; Y353-L357 HydrophobicContact CD1-CD1 4.33Å; Y353-L357 HydrophobicContact CD2-CG 4.29Å; Y353-L357 HydrophobicContact CE1-CD1 3.97Å; Y353-L357 HydrophobicContact CE2-CD1 4.2Å; Y353-L357 HydrophobicContact CE2-CD2 3.99Å; Y353-L357 HydrophobicContact CE2-CG 4.07Å; Y353-L357 WeakPolarHBondContact O-CG 3.43Å; Y353-L357 PolarHBondContact O-N 3.35Å; Y353-D430 PolarHBondContact OH-OD1 2.84Å; Y353-P431 VanDerWaalsContact OH-CG 3.3Å; Y353-P431 WeakPolarHBondContact OH-CG 3.38Å; Y353-V438 HydrophobicContact CD1-CG1 3.49Å; Y353-V438 VanDerWaalsContact CD1-CG1 3.49Å; Y353-V438 HydrophobicContact CE1-CG1 3.98Å; Y353-V438 HydrophobicContact CE1-CG2 4.19Å; Y353-V438 HydrophobicContact CG-CG1 4.34Å
354S95.4Very high93.3Very high6 Ų625.7 Ų25.74%0.04214%0.135CC..Hα-helixtrans-55.8-43.7174.1-36.80000111.5G351 L357 M358 I428 V438G351-S354 WeakPolarHBondContact O-CB 3.43Å; G351-S354 PolarHBondContact O-N 3.12Å; G351-S354 VanDerWaalsContact O-N 3.14Å; S354-L357 PolarHBondContact O-N 3.15Å; S354-M358 WeakPolarHBondContact O-CG 3.42Å; S354-M358 PolarHBondContact O-N 3.47Å; S354-I428 WeakPolarHBondContact O-CD1 3.4Å; S354-V438 PolarHBondContact OG-O 3.38Å
355L97.1Very high93.5Very high3 Ų324.9 Ų24.92%0.01613%0.134CC..Hα-helixtrans-64.4-41.5176.4-174.466.4000112.5L333 K334 L337 I350 G351 Y353 M358 A359 F452L333-L355 HydrophobicContact CB-CD1 4.25Å; L333-L355 HydrophobicContact CB-CD2 4.01Å; L333-L355 HydrophobicContact CB-CG 4.38Å; K334-L355 HydrophobicContact CG-CD2 3.85Å; L337-L355 HydrophobicContact CD1-CD1 3.98Å; L337-L355 HydrophobicContact CD1-CD2 4.1Å; I350-L355 HydrophobicContact CG2-CB 3.98Å; I350-L355 HydrophobicContact CG2-CD1 4.46Å; G351-L355 PolarHBondContact O-N 2.78Å; Y353-L355 VanDerWaalsContact C-N 3.29Å; Y353-L355 PolarHBondContact O-N 2.96Å; L355-M358 PolarHBondContact O-N 3.2Å; L355-A359 PolarHBondContact O-N 3.06Å; L355-F452 HydrophobicContact CD1-CZ 4.32Å
356F96.9Very high93.6Very high4 Ų423.5 Ų23.52%0.01812%0.123CC..Hα-helixtrans-61.8-44.9175.4-177.2-90.6000111.4L240 I316 F319 L326 V330 S352 Y353 M358 A359 V360L240-F356 HydrophobicContact CD1-CD2 4.1Å; L240-F356 HydrophobicContact CD1-CE2 3.84Å; I316-F356 HydrophobicContact CB-CE1 4.21Å; I316-F356 HydrophobicContact CB-CE2 4.37Å; I316-F356 HydrophobicContact CB-CZ 3.95Å; I316-F356 HydrophobicContact CG1-CD1 3.85Å; I316-F356 HydrophobicContact CG1-CD2 4.4Å; I316-F356 HydrophobicContact CG1-CE1 3.63Å; I316-F356 HydrophobicContact CG1-CE2 4.21Å; I316-F356 HydrophobicContact CG1-CG 4.24Å; I316-F356 HydrophobicContact CG1-CZ 3.81Å; I316-F356 HydrophobicContact CG2-CD2 4.43Å; I316-F356 HydrophobicContact CG2-CE1 4.5Å; I316-F356 HydrophobicContact CG2-CE2 3.78Å; I316-F356 HydrophobicContact CG2-CZ 3.81Å; F319-F356 HydrophobicContact CB-CE1 4.06Å; F319-F356 HydrophobicContact CB-CZ 3.8Å; F319-F356 HydrophobicContact CD2-CE1 4.24Å; L326-F356 HydrophobicContact CD2-CD2 4.47Å; L326-F356 HydrophobicContact CD2-CE1 4.37Å; L326-F356 HydrophobicContact CD2-CE2 3.55Å; L326-F356 HydrophobicContact CD2-CZ 3.49Å; L326-F356 VanDerWaalsContact CD2-CZ 3.49Å; L326-F356 HydrophobicContact CG-CE2 3.97Å; L326-F356 HydrophobicContact CG-CZ 4.4Å; V330-F356 HydrophobicContact CG1-CD2 4.45Å; V330-F356 HydrophobicContact CG2-CD2 3.91Å; V330-F356 HydrophobicContact CG2-CE2 4.48Å; S352-F356 WeakPolarHBondContact O-CB 3.34Å; S352-F356 PolarHBondContact O-N 3.28Å; S352-F356 VanDerWaalsContact O-N 3.12Å; Y353-F356 WeakPolarHBondContact O-CB 3.27Å; Y353-F356 PolarHBondContact O-N 2.78Å; Y353-F356 VanDerWaalsContact O-N 3.13Å; F356-M358 VanDerWaalsContact C-N 3.35Å; F356-M358 PolarHBondContact O-N 3.45Å; F356-A359 PolarHBondContact O-N 2.91Å; F356-V360 HydrophobicContact CD1-CG2 3.93Å; F356-V360 HydrophobicContact CE1-CG2 3.55Å; F356-V360 HydrophobicContact CZ-CG2 4Å; F356-V360 WeakPolarHBondContact O-CG2 3.27Å; F356-V360 PolarHBondContact O-N 3.37Å
357L97.1Very high93.3Very high0 Ų024.1 Ų24.10%013%0.134CC..Hα-helixtrans-64.8-35.5177.1-64.4-179.5000112.6Y353 S354 V360 S361 I401 I428 P431 V438Y353-L357 HydrophobicContact CD1-CD1 4.33Å; Y353-L357 HydrophobicContact CD2-CG 4.29Å; Y353-L357 HydrophobicContact CE1-CD1 3.97Å; Y353-L357 HydrophobicContact CE2-CD1 4.2Å; Y353-L357 HydrophobicContact CE2-CD2 3.99Å; Y353-L357 HydrophobicContact CE2-CG 4.07Å; Y353-L357 WeakPolarHBondContact O-CG 3.43Å; Y353-L357 PolarHBondContact O-N 3.35Å; S354-L357 PolarHBondContact O-N 3.15Å; L357-V360 PolarHBondContact O-N 3.43Å; L357-S361 WeakPolarHBondContact O-CB 3.42Å; L357-S361 PolarHBondContact O-N 2.95Å; L357-I401 HydrophobicContact CD2-CD1 3.56Å; L357-I401 HydrophobicContact CD2-CG1 4.18Å; L357-I428 HydrophobicContact CB-CG2 3.85Å; L357-I428 HydrophobicContact CD1-CG2 3.68Å; L357-I428 HydrophobicContact CG-CG2 4.43Å; L357-P431 HydrophobicContact CD2-CG 4.25Å; L357-V438 HydrophobicContact CD1-CB 4.26Å; L357-V438 HydrophobicContact CD1-CG1 4.14Å; L357-V438 HydrophobicContact CD1-CG2 3.96Å
358M97.9Very high93Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-63.4-40.5171.4-70.8174.37200112.4I350 S354 L355 F356 F362 F384 Y388 I399 L426 I428 F452I350-M358 HydrophobicContact CD1-CE 4.39Å; I350-M358 HydrophobicContact CD1-SD 3.92Å; I350-M358 HydrophobicContact CG2-SD 4.21Å; S354-M358 WeakPolarHBondContact O-CG 3.42Å; S354-M358 PolarHBondContact O-N 3.47Å; L355-M358 PolarHBondContact O-N 3.2Å; F356-M358 VanDerWaalsContact C-N 3.35Å; F356-M358 PolarHBondContact O-N 3.45Å; M358-F362 WeakPolarHBondContact O-CB 3.43Å; M358-F362 PolarHBondContact O-N 2.9Å; M358-F384 HydrophobicContact CB-CE2 4.43Å; M358-F384 HydrophobicContact CB-CZ 4.48Å; M358-Y388 HydrophobicContact CB-CE2 4.01Å; M358-Y388 HydrophobicContact CE-CD1 3.4Å; M358-Y388 VanDerWaalsContact CE-CD1 3.4Å; M358-Y388 HydrophobicContact CE-CD2 3.9Å; M358-Y388 HydrophobicContact CE-CE1 3.72Å; M358-Y388 HydrophobicContact CE-CE2 4.15Å; M358-Y388 HydrophobicContact CE-CG 3.5Å; M358-Y388 VanDerWaalsContact CE-CG 3.5Å; M358-Y388 WeakPolarHBondContact O-CE2 3.24Å; M358-Y388 PolarHBondContact O-OH 2.99Å; M358-I399 HydrophobicContact CG-CD1 3.98Å; M358-L426 HydrophobicContact CE-CD1 4.44Å; M358-L426 HydrophobicContact CG-CD1 4.47Å; M358-L426 HydrophobicContact SD-CD1 4.05Å; M358-L426 HydrophobicContact SD-CD2 3.76Å; M358-I428 HydrophobicContact CG-CD1 3.79Å; M358-I428 HydrophobicContact SD-CD1 4.49Å; M358-F452 HydrophobicContact CE-CE2 4.15Å
359A97.6Very high92.5Very high0 Ų031.7 Ų31.70%016%0.162CC..Hα-helixtrans-69.2-40.917700000112.1L326 V330 L355 F356 F362 L363 F384L326-A359 HydrophobicContact CD1-CB 3.62Å; V330-A359 HydrophobicContact CG2-CB 4.04Å; L355-A359 PolarHBondContact O-N 3.06Å; F356-A359 PolarHBondContact O-N 2.91Å; A359-F362 PolarHBondContact O-N 3.1Å; A359-L363 WeakPolarHBondContact O-CG 3.43Å; A359-L363 PolarHBondContact O-N 3.21Å; A359-L363 VanDerWaalsContact O-N 3.08Å; A359-F384 HydrophobicContact CB-CE2 4.26Å
360V96.9Very high91.8Very high0 Ų032.1 Ų32.10%016%0.164CC..Hα-helixtrans-60-50171.7168.60000110.9F319 L326 F356 L357 F362 L363 Q364 I401F319-V360 HydrophobicContact CB-CG2 4.05Å; F319-V360 HydrophobicContact CD1-CG1 3.73Å; F319-V360 HydrophobicContact CD1-CG2 4.14Å; F319-V360 HydrophobicContact CD2-CG1 4.28Å; F319-V360 HydrophobicContact CD2-CG2 4.16Å; F319-V360 HydrophobicContact CE1-CG1 3.49Å; F319-V360 VanDerWaalsContact CE1-CG1 3.49Å; F319-V360 HydrophobicContact CE2-CG1 4.08Å; F319-V360 HydrophobicContact CG-CG1 4.14Å; F319-V360 HydrophobicContact CG-CG2 3.87Å; F319-V360 HydrophobicContact CZ-CG1 3.68Å; L326-V360 HydrophobicContact CD1-CG2 4.29Å; L326-V360 HydrophobicContact CD2-CG2 3.69Å; F356-V360 HydrophobicContact CD1-CG2 3.93Å; F356-V360 HydrophobicContact CE1-CG2 3.55Å; F356-V360 HydrophobicContact CZ-CG2 4Å; F356-V360 WeakPolarHBondContact O-CG2 3.27Å; F356-V360 PolarHBondContact O-N 3.37Å; L357-V360 PolarHBondContact O-N 3.43Å; V360-F362 VanDerWaalsContact C-N 3.28Å; V360-F362 PolarHBondContact O-N 3.05Å; V360-L363 PolarHBondContact O-N 3.01Å; V360-Q364 HydrophobicContact CG1-CG 4.21Å; V360-Q364 VanDerWaalsContact O-CB 3.3Å; V360-Q364 WeakPolarHBondContact O-CB 3.33Å; V360-Q364 WeakPolarHBondContact O-CG 3.22Å; V360-Q364 PolarHBondContact O-N 3.45Å; V360-I401 HydrophobicContact CG1-CB 4.35Å; V360-I401 HydrophobicContact CG1-CD1 4.22Å; V360-I401 HydrophobicContact CG1-CG2 4.27Å
361S97.4Very high90.6Very high0 Ų035.3 Ų35.30%019%0.186CC..Hα-helixtrans-60.7-35.9178.6178.20000112.9L357 L365 I399L357-S361 WeakPolarHBondContact O-CB 3.42Å; L357-S361 PolarHBondContact O-N 2.95Å; S361-L365 WeakPolarHBondContact O-CB 3.29Å; S361-L365 PolarHBondContact O-N 3.25Å; S361-L365 VanDerWaalsContact O-N 3.14Å; S361-I399 VanDerWaalsContact CB-CG2 3.5Å; S361-I399 WeakPolarHBondContact OG-CG2 3.48Å
362F97.1Very high89.7Confident11 Ų1136.6 Ų36.65%0.04819%0.194CC..Hα-helixtrans-64.3-50.3174.5164.9-107.4000111.4L329 M358 A359 V360 Q364 L365 H366 L380 E383 F384 L387 Y388L329-F362 HydrophobicContact CD1-CE1 4.44Å; M358-F362 WeakPolarHBondContact O-CB 3.43Å; M358-F362 PolarHBondContact O-N 2.9Å; A359-F362 PolarHBondContact O-N 3.1Å; V360-F362 VanDerWaalsContact C-N 3.28Å; V360-F362 PolarHBondContact O-N 3.05Å; F362-Q364 VanDerWaalsContact C-N 3.33Å; F362-Q364 PolarHBondContact O-N 2.91Å; F362-L365 PolarHBondContact O-N 2.97Å; F362-H366 WeakPolarHBondContact O-CB 3.34Å; F362-H366 PolarHBondContact O-N 2.93Å; F362-H366 VanDerWaalsContact O-N 3.17Å; F362-L380 HydrophobicContact CE1-CB 4.13Å; F362-L380 HydrophobicContact CE1-CD2 3.9Å; F362-L380 WeakPolarHBondContact CE1-O 3.04Å; F362-L380 HydrophobicContact CZ-CB 4.43Å; F362-L380 HydrophobicContact CZ-CD2 3.97Å; F362-L380 WeakPolarHBondContact CZ-O 3.48Å; F362-E383 HydrophobicContact CE2-CB 4.08Å; F362-E383 HydrophobicContact CZ-CB 3.98Å; F362-F384 HydrophobicContact CB-CD2 3.96Å; F362-F384 HydrophobicContact CB-CE2 4.48Å; F362-F384 HydrophobicContact CD1-CB 4.13Å; F362-F384 AromaticContact CD1-CD2 3.91Å; F362-F384 HydrophobicContact CD1-CD2 3.91Å; F362-F384 HydrophobicContact CD2-CB 4.44Å; F362-F384 HydrophobicContact CE1-CB 3.98Å; F362-F384 HydrophobicContact CE2-CB 4.3Å; F362-F384 HydrophobicContact CG-CB 4.35Å; F362-F384 AromaticContact CG-CD2 3.9Å; F362-F384 HydrophobicContact CG-CD2 3.9Å; F362-F384 HydrophobicContact CZ-CB 4.07Å; F362-L387 HydrophobicContact CB-CD2 4.37Å; F362-L387 HydrophobicContact CD2-CD2 3.76Å; F362-Y388 HydrophobicContact CB-CE2 4.07Å
363L95.3Very high88.7Confident3 Ų339.7 Ų39.72%0.01621%0.213CC..Hα-helixtrans-66.7-33.9179.3-65.2179000112.7Y323 V325 L326 L329 A359 V360 V370 L380Y323-L363 HydrophobicContact CD1-CB 4.45Å; Y323-L363 HydrophobicContact CG-CB 4.48Å; Y323-L363 HydrophobicContact CG-CD1 4.18Å; V325-L363 HydrophobicContact CG2-CD1 3.88Å; V325-L363 HydrophobicContact CG2-CD2 4.02Å; L326-L363 HydrophobicContact CB-CD1 3.99Å; L326-L363 HydrophobicContact CD1-CD1 3.92Å; L326-L363 HydrophobicContact CG-CD1 4.49Å; L329-L363 HydrophobicContact CD1-CD1 4.42Å; L329-L363 HydrophobicContact CD1-CD2 3.95Å; L329-L363 HydrophobicContact CD1-CG 4.44Å; A359-L363 WeakPolarHBondContact O-CG 3.43Å; A359-L363 PolarHBondContact O-N 3.21Å; A359-L363 VanDerWaalsContact O-N 3.08Å; V360-L363 PolarHBondContact O-N 3.01Å; L363-V370 HydrophobicContact CB-CG1 4.42Å; L363-V370 HydrophobicContact CB-CG2 4.31Å; L363-V370 HydrophobicContact CD2-CB 4.28Å; L363-V370 HydrophobicContact CD2-CG1 3.84Å; L363-V370 WeakPolarHBondContact O-CG2 3.18Å; L363-L380 HydrophobicContact CD2-CD1 4.06Å; L363-L380 HydrophobicContact CD2-CD2 4.23Å
364Q94.3Very high88Confident26 Ų2644.7 Ų44.712%0.12124%0.243CC..Hα-helixtrans-61.5-43.1173.9-87.1-179.3-39.700113Y323 V360 F362 I401 G404Y323-Q364 HydrophobicContact CE2-CG 4.3Å; V360-Q364 HydrophobicContact CG1-CG 4.21Å; V360-Q364 VanDerWaalsContact O-CB 3.3Å; V360-Q364 WeakPolarHBondContact O-CB 3.33Å; V360-Q364 WeakPolarHBondContact O-CG 3.22Å; V360-Q364 PolarHBondContact O-N 3.45Å; F362-Q364 VanDerWaalsContact C-N 3.33Å; F362-Q364 PolarHBondContact O-N 2.91Å; Q364-I401 PolarHBondContact NE2-O 3.43Å; Q364-G404 WeakPolarHBondContact CB-O 3.3Å; Q364-G404 WeakPolarHBondContact CG-O 3.36Å; Q364-G404 PolarHBondContact NE2-O 2.99Å
365L92.8Very high87.7Confident63 Ų6345.4 Ų45.433%0.3325%0.246SC..THydrogen-bonded Turntrans-99.417.2-174.9-64.3171.8000113S361 F362 G405 Y407S361-L365 WeakPolarHBondContact O-CB 3.29Å; S361-L365 PolarHBondContact O-N 3.25Å; S361-L365 VanDerWaalsContact O-N 3.14Å; F362-L365 PolarHBondContact O-N 2.97Å; L365-G405 WeakPolarHBondContact CD2-O 3.42Å; L365-Y407 HydrophobicContact CD1-CD1 3.9Å; L365-Y407 HydrophobicContact CD1-CD2 3.88Å; L365-Y407 HydrophobicContact CD1-CE1 3.59Å; L365-Y407 HydrophobicContact CD1-CE2 3.59Å; L365-Y407 HydrophobicContact CD1-CG 4.02Å; L365-Y407 VanDerWaalsContact CD1-CZ 3.41Å
366H89.3Confident87.5Confident29 Ų2947 Ų4713%0.13425%0.254CS..  trans-86129.8-178.4-179.1-105.4000111.9F362 R368 V370 E383F362-H366 WeakPolarHBondContact O-CB 3.34Å; F362-H366 PolarHBondContact O-N 2.93Å; F362-H366 VanDerWaalsContact O-N 3.17Å; H366-R368 VanDerWaalsContact CE1-CB 3.47Å; H366-R368 WeakPolarHBondContact CE1-CB 3.49Å; H366-R368 PolarHBondContact CE1-NH1 3.38Å; H366-R368 PolarHBondContact ND1-N 3.05Å; H366-R368 PolarHBondContact ND1-O 3.46Å; H366-R368 PolarHBondContact NE2-NH1 3.17Å; H366-R368 PolarHBondContact O-N 2.8Å; H366-R368 VanDerWaalsContact O-N 3.11Å; H366-V370 HydrophobicContact CB-CG1 3.86Å; H366-V370 VanDerWaalsContact ND1-CG1 3.31Å; H366-V370 WeakPolarHBondContact ND1-CG1 3.33Å; H366-E383 IonicContact CD2-OE2 2.76Å; H366-E383 IonicContact NE2-OE2 3.46Å; H366-E383 PolarHBondContact NE2-OE2 3.47Å
367N76.6Confident87.4Confident170 Ų17047 Ų4791%0.90926%0.255SS*.SBendtrans-67.6-11.2-173-68.9-35.5000115.6
368R79.4Confident87.4Confident124 Ų12447 Ų4747%0.46826%0.255SS..SBendtrans-112.3146.2175.7-34.6178.3-174.593.1-6.5109.5H366 V370 E383H366-R368 VanDerWaalsContact CE1-CB 3.47Å; H366-R368 WeakPolarHBondContact CE1-CB 3.49Å; H366-R368 PolarHBondContact CE1-NH1 3.38Å; H366-R368 PolarHBondContact ND1-N 3.05Å; H366-R368 PolarHBondContact ND1-O 3.46Å; H366-R368 PolarHBondContact NE2-NH1 3.17Å; H366-R368 PolarHBondContact O-N 2.8Å; H366-R368 VanDerWaalsContact O-N 3.11Å; R368-V370 PolarHBondContact O-N 2.98Å; R368-E383 IonicContact CZ-OE1 3.29Å; R368-E383 VanDerWaalsContact CZ-OE1 3.29Å; R368-E383 IonicContact CZ-OE2 3.47Å; R368-E383 IonicContact NH1-OE1 2.71Å; R368-E383 PolarHBondContact NH1-OE1 2.92Å; R368-E383 IonicContact NH1-OE2 3.67Å; R368-E383 PolarHBondContact NH1-OE2 2.85Å; R368-E383 IonicContact NH2-OE1 3.21Å; R368-E383 PolarHBondContact NH2-OE1 3.3Å; R368-E383 IonicContact NH2-OE2 2.67Å
369D75.7Confident87.3Confident104 Ų10448.6 Ų48.656%0.55626%0.264SS*.  trans-56.8104.3176.3177.113.9000112.2S371 S372D369-S371 VanDerWaalsContact C-N 3.28Å; D369-S371 PolarHBondContact O-N 3.25Å; D369-S371 WeakPolarHBondContact OD1-CA 3.44Å; D369-S371 WeakPolarHBondContact OD1-CB 3.27Å; D369-S371 PolarHBondContact OD1-N 2.89Å; D369-S372 WeakPolarHBondContact O-CB 3.34Å; D369-S372 PolarHBondContact O-N 3Å; D369-S372 PolarHBondContact O-OG 2.86Å; D369-S372 PolarHBondContact OD1-N 3.37Å
370V77.4Confident87.2Confident11 Ų1148.6 Ų48.67%0.06726%0.264CS..THydrogen-bonded Turntrans-77.7-9178.9-66.40000114Y323 L363 H366 R368 I375 L380Y323-V370 HydrophobicContact CD1-CB 4.49Å; Y323-V370 HydrophobicContact CD1-CG2 3.57Å; Y323-V370 HydrophobicContact CE1-CG2 3.45Å; Y323-V370 VanDerWaalsContact CE1-CG2 3.45Å; L363-V370 HydrophobicContact CB-CG1 4.42Å; L363-V370 HydrophobicContact CB-CG2 4.31Å; L363-V370 HydrophobicContact CD2-CB 4.28Å; L363-V370 HydrophobicContact CD2-CG1 3.84Å; L363-V370 WeakPolarHBondContact O-CG2 3.18Å; H366-V370 HydrophobicContact CB-CG1 3.86Å; H366-V370 VanDerWaalsContact ND1-CG1 3.31Å; H366-V370 WeakPolarHBondContact ND1-CG1 3.33Å; R368-V370 PolarHBondContact O-N 2.98Å; V370-I375 HydrophobicContact CB-CD1 4.31Å; V370-I375 HydrophobicContact CG1-CD1 3.96Å; V370-L380 HydrophobicContact CG1-CD2 4.4Å
371S69.8Low87.3Confident68 Ų6848.6 Ų48.648%0.47626%0.264SS..THydrogen-bonded Turntrans-90.7-5.6172.2-62.60000112.1K322 D369K322-S371 PolarHBondContact O-OG 3.49Å; D369-S371 VanDerWaalsContact C-N 3.28Å; D369-S371 PolarHBondContact O-N 3.25Å; D369-S371 WeakPolarHBondContact OD1-CA 3.44Å; D369-S371 WeakPolarHBondContact OD1-CB 3.27Å; D369-S371 PolarHBondContact OD1-N 2.89Å
372S74.6Confident87.3Confident38 Ų3849.6 Ų49.627%0.26627%0.269SS..SBendtrans-70.6135.2175.470.50000112.3D369 N374 I375D369-S372 WeakPolarHBondContact O-CB 3.34Å; D369-S372 PolarHBondContact O-N 3Å; D369-S372 PolarHBondContact O-OG 2.86Å; D369-S372 PolarHBondContact OD1-N 3.37Å; S372-N374 PolarHBondContact O-N 2.95Å; S372-N374 VanDerWaalsContact O-N 3.16Å; S372-I375 WeakPolarHBondContact O-CG2 3.28Å; S372-I375 PolarHBondContact O-N 2.68Å
373P70.4Confident87.3Confident125 Ų12551.2 Ų51.281%0.81228%0.277SS*.THydrogen-bonded Turntrans-70.7-13.7-17428.7-36.5000114.1
374N78.3Confident87.4Confident154 Ų15451 Ų5182%0.82428%0.276SS*.THydrogen-bonded Turntrans-92.95.3-177.5-65.4-24.9000113.2S372 N376S372-N374 PolarHBondContact O-N 2.95Å; S372-N374 VanDerWaalsContact O-N 3.16Å; N374-N376 PolarHBondContact O-N 3.17Å
375I89.5Confident87.6Confident21 Ų2149.8 Ų49.811%0.10827%0.27CS..  trans-71.9131.6-173.3-165.9161.3000112.9V325 V370 S372 I377 L380V325-I375 HydrophobicContact CG1-CG2 3.61Å; V370-I375 HydrophobicContact CB-CD1 4.31Å; V370-I375 HydrophobicContact CG1-CD1 3.96Å; S372-I375 WeakPolarHBondContact O-CG2 3.28Å; S372-I375 PolarHBondContact O-N 2.68Å; I375-I377 PolarHBondContact O-N 3.01Å; I375-L380 HydrophobicContact CD1-CD1 3.85Å; I375-L380 HydrophobicContact CD1-CD2 3.96Å; I375-L380 HydrophobicContact CD1-CG 4.09Å; I375-L380 HydrophobicContact CG1-CD1 3.99Å; I375-L380 HydrophobicContact CG1-CG 4.21Å; I375-L380 HydrophobicContact CG2-CD1 4.46Å
376N93.7Very high87.9Confident35 Ų3549.7 Ų49.719%0.18727%0.268CS..  trans-81.4107.2-178.9-174.4-60.7000110.9V186 N374 G378 V379 L380V186-N376 PolarHBondContact O-ND2 2.85Å; V186-N376 PolarHBondContact O-OD1 2.88Å; N374-N376 PolarHBondContact O-N 3.17Å; N376-G378 PolarHBondContact O-N 3.46Å; N376-G378 VanDerWaalsContact OD1-CA 3.28Å; N376-G378 WeakPolarHBondContact OD1-CA 3.37Å; N376-G378 PolarHBondContact OD1-N 3.19Å; N376-V379 HydrophobicContact CB-CB 4.22Å; N376-V379 HydrophobicContact CB-CG2 3.98Å; N376-V379 PolarHBondContact O-N 2.79Å; N376-V379 PolarHBondContact OD1-N 3.22Å; N376-L380 PolarHBondContact O-N 3.27Å; N376-L380 VanDerWaalsContact O-N 3.15Å
377I95.4Very high88.3Confident5 Ų549.9 Ų49.93%0.02627%0.27CS..Hα-helixtrans-61.8-29.1178.9-50.7165.1000112.2H190 I193 K194 V325 Y328 L329 I375 L380 L381H190-I377 WeakPolarHBondContact ND1-CG1 3.42Å; H190-I377 PolarHBondContact ND1-N 3.13Å; H190-I377 VanDerWaalsContact ND1-N 3.13Å; I193-I377 HydrophobicContact CD1-CG2 4.28Å; I193-I377 HydrophobicContact CG2-CB 4.46Å; I193-I377 HydrophobicContact CG2-CG2 3.74Å; K194-I377 HydrophobicContact CG-CD1 4.5Å; V325-I377 HydrophobicContact CB-CG1 4.43Å; V325-I377 HydrophobicContact CG1-CD1 4.46Å; V325-I377 HydrophobicContact CG1-CG1 3.97Å; Y328-I377 HydrophobicContact CD1-CD1 4.08Å; Y328-I377 HydrophobicContact CD2-CD1 4.1Å; Y328-I377 HydrophobicContact CG-CD1 3.84Å; L329-I377 HydrophobicContact CD2-CG2 3.78Å; L329-I377 HydrophobicContact CG-CG2 4.17Å; I375-I377 PolarHBondContact O-N 3.01Å; I377-L380 PolarHBondContact O-N 2.98Å; I377-L381 WeakPolarHBondContact O-CB 3.33Å; I377-L381 PolarHBondContact O-N 3.23Å
378G95.8Very high89.3Confident0 Ų041.8 Ų41.80%023%0.227CC..Hα-helixtrans-67.3-40.2175.800000113N376 L381 I382N376-G378 PolarHBondContact O-N 3.46Å; N376-G378 VanDerWaalsContact OD1-CA 3.28Å; N376-G378 WeakPolarHBondContact OD1-CA 3.37Å; N376-G378 PolarHBondContact OD1-N 3.19Å; G378-L381 PolarHBondContact O-N 2.87Å; G378-I382 WeakPolarHBondContact O-CG1 3.44Å; G378-I382 PolarHBondContact O-N 3.27Å; G378-I382 VanDerWaalsContact O-N 3.15Å
379V95.4Very high90.2Very high33 Ų3335.9 Ų35.920%0.221%0.205CC..Hα-helixtrans-62.6-48.9171.2173.70000110.2V186 N376 L381 I382 E383V186-V379 HydrophobicContact CB-CG2 3.85Å; V186-V379 HydrophobicContact CG1-CG2 4Å; V186-V379 HydrophobicContact CG2-CG2 3.95Å; N376-V379 HydrophobicContact CB-CB 4.22Å; N376-V379 HydrophobicContact CB-CG2 3.98Å; N376-V379 PolarHBondContact O-N 2.79Å; N376-V379 PolarHBondContact OD1-N 3.22Å; V379-L381 VanDerWaalsContact C-N 3.3Å; V379-L381 PolarHBondContact O-N 3.18Å; V379-I382 PolarHBondContact O-N 3.04Å; V379-E383 VanDerWaalsContact CG1-CD 3.49Å; V379-E383 HydrophobicContact CG1-CG 4.32Å; V379-E383 WeakPolarHBondContact CG1-OE1 3.43Å; V379-E383 WeakPolarHBondContact CG1-OE2 3.07Å; V379-E383 WeakPolarHBondContact O-CB 3.49Å; V379-E383 WeakPolarHBondContact O-CG 3.44Å; V379-E383 PolarHBondContact O-N 3.47Å
380L96.8Very high91.2Very high1 Ų135.9 Ų35.91%0.00520%0.197CC..Hα-helixtrans-57.5-40.1176.7-72.2177.7000113V325 L329 F362 L363 V370 I375 N376 I377 F384V325-L380 HydrophobicContact CB-CD1 4.31Å; V325-L380 HydrophobicContact CG1-CD1 4.47Å; V325-L380 HydrophobicContact CG2-CD1 3.96Å; L329-L380 HydrophobicContact CD1-CB 4.2Å; L329-L380 HydrophobicContact CD1-CD1 4.35Å; L329-L380 HydrophobicContact CD2-CB 4.21Å; F362-L380 HydrophobicContact CE1-CB 4.13Å; F362-L380 HydrophobicContact CE1-CD2 3.9Å; F362-L380 WeakPolarHBondContact CE1-O 3.04Å; F362-L380 HydrophobicContact CZ-CB 4.43Å; F362-L380 HydrophobicContact CZ-CD2 3.97Å; F362-L380 WeakPolarHBondContact CZ-O 3.48Å; L363-L380 HydrophobicContact CD2-CD1 4.06Å; L363-L380 HydrophobicContact CD2-CD2 4.23Å; V370-L380 HydrophobicContact CG1-CD2 4.4Å; I375-L380 HydrophobicContact CD1-CD1 3.85Å; I375-L380 HydrophobicContact CD1-CD2 3.96Å; I375-L380 HydrophobicContact CD1-CG 4.09Å; I375-L380 HydrophobicContact CG1-CD1 3.99Å; I375-L380 HydrophobicContact CG1-CG 4.21Å; I375-L380 HydrophobicContact CG2-CD1 4.46Å; N376-L380 PolarHBondContact O-N 3.27Å; N376-L380 VanDerWaalsContact O-N 3.15Å; I377-L380 PolarHBondContact O-N 2.98Å; L380-F384 VanDerWaalsContact O-CB 3.31Å; L380-F384 WeakPolarHBondContact O-CB 3.34Å; L380-F384 PolarHBondContact O-N 3.47Å
381L98.1Very high92.2Very high0 Ų040.6 Ų40.60%022%0.222CC..Hα-helixtrans-65.6-42.7178.5-17866.3000111.7I193 L329 V332 L333 I377 G378 V379 F385 L459 L479I193-L381 HydrophobicContact CD1-CB 4.12Å; I193-L381 HydrophobicContact CD1-CD2 3.6Å; I193-L381 HydrophobicContact CD1-CG 4.49Å; I193-L381 HydrophobicContact CG1-CD2 4.26Å; L329-L381 HydrophobicContact CD2-CB 3.97Å; L329-L381 HydrophobicContact CD2-CD1 4.21Å; V332-L381 HydrophobicContact CB-CD1 4.49Å; V332-L381 HydrophobicContact CG1-CD1 3.79Å; V332-L381 HydrophobicContact CG1-CD2 3.82Å; V332-L381 HydrophobicContact CG1-CG 4.49Å; L333-L381 HydrophobicContact CD2-CD1 4.25Å; L333-L381 HydrophobicContact CG-CD1 4.46Å; I377-L381 WeakPolarHBondContact O-CB 3.33Å; I377-L381 PolarHBondContact O-N 3.23Å; G378-L381 PolarHBondContact O-N 2.87Å; V379-L381 VanDerWaalsContact C-N 3.3Å; V379-L381 PolarHBondContact O-N 3.18Å; L381-F385 HydrophobicContact CD1-CD2 4.16Å; L381-F385 HydrophobicContact CD1-CE2 3.52Å; L381-F385 HydrophobicContact CD1-CZ 3.91Å; L381-F385 HydrophobicContact CD2-CE2 4.14Å; L381-F385 HydrophobicContact CG-CD2 4.01Å; L381-F385 HydrophobicContact CG-CE2 3.59Å; L381-F385 HydrophobicContact CG-CZ 4.45Å; L381-F385 WeakPolarHBondContact O-CD2 3.36Å; L381-F385 WeakPolarHBondContact O-CG 3.24Å; L381-F385 PolarHBondContact O-N 3.26Å; L381-F385 VanDerWaalsContact O-N 3.12Å; L381-L459 HydrophobicContact CD2-CD1 3.85Å; L381-L459 HydrophobicContact CG-CD1 4.16Å; L381-L479 HydrophobicContact CD2-CD1 4.13Å
382I97.4Very high93.5Very high20 Ų2037.8 Ų37.810%0.10320%0.201CC..Hα-helixtrans-65.9-45.6176.9-67.9171.1000110.4V186 L189 G378 V379 F384 F385 E386 Y456 L459 V463V186-I382 HydrophobicContact CG1-CD1 4.41Å; L189-I382 HydrophobicContact CD2-CD1 3.74Å; L189-I382 HydrophobicContact CD2-CG1 4.01Å; G378-I382 WeakPolarHBondContact O-CG1 3.44Å; G378-I382 PolarHBondContact O-N 3.27Å; G378-I382 VanDerWaalsContact O-N 3.15Å; V379-I382 PolarHBondContact O-N 3.04Å; I382-F384 VanDerWaalsContact C-N 3.34Å; I382-F384 PolarHBondContact O-N 3.09Å; I382-F385 CarbonylContact O-C 3.59Å; I382-F385 PolarHBondContact O-N 2.79Å; I382-E386 PolarHBondContact O-N 3.29Å; I382-Y456 HydrophobicContact CG2-CD2 3.87Å; I382-Y456 HydrophobicContact CG2-CE2 4.04Å; I382-L459 HydrophobicContact CD1-CB 4.11Å; I382-L459 HydrophobicContact CG1-CB 3.82Å; I382-L459 HydrophobicContact CG1-CD1 4.03Å; I382-V463 HydrophobicContact CD1-CG1 4.15Å; I382-V463 HydrophobicContact CD1-CG2 3.65Å
383E97.3Very high94.5Very high45 Ų4539.4 Ų39.421%0.2121%0.206CC..Hα-helixtrans-68-31.2179.7-70.3170.516000112.6F362 H366 R368 V379 E386 L387F362-E383 HydrophobicContact CE2-CB 4.08Å; F362-E383 HydrophobicContact CZ-CB 3.98Å; H366-E383 IonicContact CD2-OE2 2.76Å; H366-E383 IonicContact NE2-OE2 3.46Å; H366-E383 PolarHBondContact NE2-OE2 3.47Å; R368-E383 IonicContact CZ-OE1 3.29Å; R368-E383 VanDerWaalsContact CZ-OE1 3.29Å; R368-E383 IonicContact CZ-OE2 3.47Å; R368-E383 IonicContact NH1-OE1 2.71Å; R368-E383 PolarHBondContact NH1-OE1 2.92Å; R368-E383 IonicContact NH1-OE2 3.67Å; R368-E383 PolarHBondContact NH1-OE2 2.85Å; R368-E383 IonicContact NH2-OE1 3.21Å; R368-E383 PolarHBondContact NH2-OE1 3.3Å; R368-E383 IonicContact NH2-OE2 2.67Å; V379-E383 VanDerWaalsContact CG1-CD 3.49Å; V379-E383 HydrophobicContact CG1-CG 4.32Å; V379-E383 WeakPolarHBondContact CG1-OE1 3.43Å; V379-E383 WeakPolarHBondContact CG1-OE2 3.07Å; V379-E383 WeakPolarHBondContact O-CB 3.49Å; V379-E383 WeakPolarHBondContact O-CG 3.44Å; V379-E383 PolarHBondContact O-N 3.47Å; E383-E386 PolarHBondContact O-N 3.28Å; E383-L387 WeakPolarHBondContact O-CB 3.39Å; E383-L387 PolarHBondContact O-N 3.13Å
384F98.3Very high95.7Very high0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-62.6-47.7168.9176.8-79.9000111.3L333 M358 A359 F362 L380 I382 E386 L387 Y388 F452L333-F384 HydrophobicContact CD1-CD1 3.9Å; L333-F384 HydrophobicContact CD1-CD2 4.12Å; L333-F384 HydrophobicContact CD1-CE1 3.57Å; L333-F384 HydrophobicContact CD1-CE2 3.76Å; L333-F384 HydrophobicContact CD1-CG 4.19Å; L333-F384 HydrophobicContact CD1-CZ 3.49Å; L333-F384 VanDerWaalsContact CD1-CZ 3.49Å; L333-F384 HydrophobicContact CD2-CD1 3.65Å; L333-F384 HydrophobicContact CD2-CE1 3.42Å; L333-F384 VanDerWaalsContact CD2-CE1 3.42Å; L333-F384 HydrophobicContact CD2-CZ 4.19Å; L333-F384 HydrophobicContact CG-CD1 4.42Å; L333-F384 HydrophobicContact CG-CE1 4.15Å; L333-F384 HydrophobicContact CG-CZ 4.48Å; M358-F384 HydrophobicContact CB-CE2 4.43Å; M358-F384 HydrophobicContact CB-CZ 4.48Å; A359-F384 HydrophobicContact CB-CE2 4.26Å; F362-F384 HydrophobicContact CB-CD2 3.96Å; F362-F384 HydrophobicContact CB-CE2 4.48Å; F362-F384 HydrophobicContact CD1-CB 4.13Å; F362-F384 AromaticContact CD1-CD2 3.91Å; F362-F384 HydrophobicContact CD1-CD2 3.91Å; F362-F384 HydrophobicContact CD2-CB 4.44Å; F362-F384 HydrophobicContact CE1-CB 3.98Å; F362-F384 HydrophobicContact CE2-CB 4.3Å; F362-F384 HydrophobicContact CG-CB 4.35Å; F362-F384 AromaticContact CG-CD2 3.9Å; F362-F384 HydrophobicContact CG-CD2 3.9Å; F362-F384 HydrophobicContact CZ-CB 4.07Å; L380-F384 VanDerWaalsContact O-CB 3.31Å; L380-F384 WeakPolarHBondContact O-CB 3.34Å; L380-F384 PolarHBondContact O-N 3.47Å; I382-F384 VanDerWaalsContact C-N 3.34Å; I382-F384 PolarHBondContact O-N 3.09Å; F384-E386 VanDerWaalsContact C-N 3.31Å; F384-E386 PolarHBondContact O-N 3.4Å; F384-L387 PolarHBondContact O-N 2.76Å; F384-Y388 HydrophobicContact CD1-CD2 4.17Å; F384-Y388 AromaticContact CD2-CD2 3.76Å; F384-Y388 HydrophobicContact CD2-CD2 3.76Å; F384-Y388 AromaticContact CD2-CE2 3.77Å; F384-Y388 HydrophobicContact CD2-CE2 3.77Å; F384-Y388 AromaticContact CE1-CD2 3.85Å; F384-Y388 HydrophobicContact CE1-CD2 3.85Å; F384-Y388 AromaticContact CE2-CD2 3.44Å; F384-Y388 HydrophobicContact CE2-CD2 3.44Å; F384-Y388 VanDerWaalsContact CE2-CD2 3.44Å; F384-Y388 AromaticContact CE2-CE2 3.37Å; F384-Y388 HydrophobicContact CE2-CE2 3.37Å; F384-Y388 HydrophobicContact CG-CD2 4.11Å; F384-Y388 AromaticContact CZ-CD2 3.47Å; F384-Y388 HydrophobicContact CZ-CD2 3.47Å; F384-Y388 VanDerWaalsContact CZ-CD2 3.47Å; F384-Y388 AromaticContact CZ-CE2 3.84Å; F384-Y388 HydrophobicContact CZ-CE2 3.84Å; F384-Y388 HydrophobicContact CZ-CG 4.47Å; F384-Y388 PolarHBondContact O-N 3.02Å; F384-F452 HydrophobicContact CE1-CE1 4.3Å; F384-F452 HydrophobicContact CE1-CE2 4.06Å; F384-F452 AromaticContact CE1-CZ 3.93Å; F384-F452 HydrophobicContact CE1-CZ 3.93Å; F384-F452 HydrophobicContact CZ-CE2 4.49Å; F384-F452 HydrophobicContact CZ-CZ 4.43Å
385F98.6Very high96.5Very high0 Ų032.6 Ų32.60%016%0.162CC..Hα-helixtrans-67.3-31.6177.2-71.2-48.9000112.1L333 F336 L381 I382 G389 F452 A455 L459 I482L333-F385 HydrophobicContact CD2-CD1 4.27Å; L333-F385 HydrophobicContact CD2-CE1 3.44Å; L333-F385 VanDerWaalsContact CD2-CE1 3.44Å; L333-F385 HydrophobicContact CD2-CZ 3.68Å; F336-F385 HydrophobicContact CD1-CE1 4.21Å; F336-F385 HydrophobicContact CD1-CZ 4.5Å; F336-F385 HydrophobicContact CD2-CZ 4.26Å; F336-F385 HydrophobicContact CE1-CE1 4.31Å; F336-F385 HydrophobicContact CG-CE1 4.41Å; F336-F385 HydrophobicContact CG-CZ 4.25Å; L381-F385 HydrophobicContact CD1-CD2 4.16Å; L381-F385 HydrophobicContact CD1-CE2 3.52Å; L381-F385 HydrophobicContact CD1-CZ 3.91Å; L381-F385 HydrophobicContact CD2-CE2 4.14Å; L381-F385 HydrophobicContact CG-CD2 4.01Å; L381-F385 HydrophobicContact CG-CE2 3.59Å; L381-F385 HydrophobicContact CG-CZ 4.45Å; L381-F385 WeakPolarHBondContact O-CD2 3.36Å; L381-F385 WeakPolarHBondContact O-CG 3.24Å; L381-F385 PolarHBondContact O-N 3.26Å; L381-F385 VanDerWaalsContact O-N 3.12Å; I382-F385 CarbonylContact O-C 3.59Å; I382-F385 PolarHBondContact O-N 2.79Å; F385-G389 WeakPolarHBondContact O-CA 3.17Å; F385-G389 PolarHBondContact O-N 3.32Å; F385-F452 HydrophobicContact CD1-CB 3.96Å; F385-F452 AromaticContact CD1-CD1 3.55Å; F385-F452 HydrophobicContact CD1-CD1 3.55Å; F385-F452 HydrophobicContact CD1-CE1 4.27Å; F385-F452 AromaticContact CD1-CG 3.94Å; F385-F452 HydrophobicContact CD1-CG 3.94Å; F385-F452 AromaticContact CE1-CD1 3.53Å; F385-F452 HydrophobicContact CE1-CD1 3.53Å; F385-F452 AromaticContact CE1-CE1 3.93Å; F385-F452 HydrophobicContact CE1-CE1 3.93Å; F385-F452 HydrophobicContact CE1-CG 4.38Å; F385-A455 HydrophobicContact CB-CB 4.46Å; F385-A455 HydrophobicContact CD1-CB 3.79Å; F385-A455 HydrophobicContact CD2-CB 3.74Å; F385-A455 HydrophobicContact CE1-CB 3.81Å; F385-A455 HydrophobicContact CE2-CB 3.76Å; F385-A455 HydrophobicContact CG-CB 3.76Å; F385-A455 HydrophobicContact CZ-CB 3.79Å; F385-L459 HydrophobicContact CD2-CD1 4Å; F385-L459 HydrophobicContact CE2-CD1 3.91Å; F385-I482 HydrophobicContact CE2-CD1 3.53Å; F385-I482 HydrophobicContact CZ-CD1 3.86Å
386E98Very high96.7Very high60 Ų6037.6 Ų37.628%0.2818%0.183SC..Hα-helixtrans-65.4-50.2172-164.9168.1-144.700111.4I382 E383 F384 R390 N391 Y456I382-E386 PolarHBondContact O-N 3.29Å; E383-E386 PolarHBondContact O-N 3.28Å; F384-E386 VanDerWaalsContact C-N 3.31Å; F384-E386 PolarHBondContact O-N 3.4Å; E386-R390 WeakPolarHBondContact O-CA 3.34Å; E386-R390 VanDerWaalsContact O-CB 3.27Å; E386-R390 WeakPolarHBondContact O-CB 3.38Å; E386-R390 PolarHBondContact O-N 3.08Å; E386-N391 PolarHBondContact O-N 3.33Å; E386-Y456 HydrophobicContact CB-CD2 3.44Å; E386-Y456 VanDerWaalsContact CB-CD2 3.44Å; E386-Y456 HydrophobicContact CB-CE2 3.43Å; E386-Y456 VanDerWaalsContact CB-CE2 3.43Å; E386-Y456 HydrophobicContact CB-CG 4.37Å; E386-Y456 HydrophobicContact CG-CD2 3.86Å; E386-Y456 HydrophobicContact CG-CE2 3.39Å; E386-Y456 WeakPolarHBondContact OE1-CE2 3.48Å; E386-Y456 VanDerWaalsContact OE1-CZ 3.26Å; E386-Y456 PolarHBondContact OE1-OH 3.4Å
387L98.1Very high96.9Very high34 Ų3437.4 Ų37.418%0.17818%0.183CC..Iπ-helixtrans-57.9-61.1179.4174.463.4000110.6F362 E383 F384 N391 F392 Y407F362-L387 HydrophobicContact CB-CD2 4.37Å; F362-L387 HydrophobicContact CD2-CD2 3.76Å; E383-L387 WeakPolarHBondContact O-CB 3.39Å; E383-L387 PolarHBondContact O-N 3.13Å; F384-L387 PolarHBondContact O-N 2.76Å; L387-N391 PolarHBondContact O-N 3.14Å; L387-F392 HydrophobicContact CD1-CB 4.31Å; L387-F392 VanDerWaalsContact O-CB 3.29Å; L387-F392 WeakPolarHBondContact O-CB 3.34Å; L387-F392 PolarHBondContact O-N 3.46Å; L387-Y407 WeakPolarHBondContact CD2-OH 3.39Å
388Y98.4Very high96.9Very high0 Ų037.1 Ų37.10%018%0.182CC..Iπ-helixtrans-83.3-19.6-173.3-66-62.2000113.8M358 F362 F384 F392 Y394 I399 K449M358-Y388 HydrophobicContact CB-CE2 4.01Å; M358-Y388 HydrophobicContact CE-CD1 3.4Å; M358-Y388 VanDerWaalsContact CE-CD1 3.4Å; M358-Y388 HydrophobicContact CE-CD2 3.9Å; M358-Y388 HydrophobicContact CE-CE1 3.72Å; M358-Y388 HydrophobicContact CE-CE2 4.15Å; M358-Y388 HydrophobicContact CE-CG 3.5Å; M358-Y388 VanDerWaalsContact CE-CG 3.5Å; M358-Y388 WeakPolarHBondContact O-CE2 3.24Å; M358-Y388 PolarHBondContact O-OH 2.99Å; F362-Y388 HydrophobicContact CB-CE2 4.07Å; F384-Y388 HydrophobicContact CD1-CD2 4.17Å; F384-Y388 AromaticContact CD2-CD2 3.76Å; F384-Y388 HydrophobicContact CD2-CD2 3.76Å; F384-Y388 AromaticContact CD2-CE2 3.77Å; F384-Y388 HydrophobicContact CD2-CE2 3.77Å; F384-Y388 AromaticContact CE1-CD2 3.85Å; F384-Y388 HydrophobicContact CE1-CD2 3.85Å; F384-Y388 AromaticContact CE2-CD2 3.44Å; F384-Y388 HydrophobicContact CE2-CD2 3.44Å; F384-Y388 VanDerWaalsContact CE2-CD2 3.44Å; F384-Y388 AromaticContact CE2-CE2 3.37Å; F384-Y388 HydrophobicContact CE2-CE2 3.37Å; F384-Y388 HydrophobicContact CG-CD2 4.11Å; F384-Y388 AromaticContact CZ-CD2 3.47Å; F384-Y388 HydrophobicContact CZ-CD2 3.47Å; F384-Y388 VanDerWaalsContact CZ-CD2 3.47Å; F384-Y388 AromaticContact CZ-CE2 3.84Å; F384-Y388 HydrophobicContact CZ-CE2 3.84Å; F384-Y388 HydrophobicContact CZ-CG 4.47Å; F384-Y388 PolarHBondContact O-N 3.02Å; Y388-F392 HydrophobicContact CD1-CB 3.91Å; Y388-F392 HydrophobicContact CD1-CD1 4.33Å; Y388-F392 HydrophobicContact CD1-CD2 4.23Å; Y388-F392 AromaticContact CD1-CG 3.89Å; Y388-F392 HydrophobicContact CD1-CG 3.89Å; Y388-F392 HydrophobicContact CE1-CB 4.44Å; Y388-F392 AromaticContact CE1-CD2 3.91Å; Y388-F392 HydrophobicContact CE1-CD2 3.91Å; Y388-F392 HydrophobicContact CE1-CE2 4.33Å; Y388-F392 HydrophobicContact CE1-CG 4.04Å; Y388-Y394 WeakPolarHBondContact O-CE2 3.33Å; Y388-Y394 PolarHBondContact O-OH 3.01Å; Y388-Y394 VanDerWaalsContact O-OH 3.07Å; Y388-I399 HydrophobicContact CE1-CD1 3.97Å; Y388-K449 WeakPolarHBondContact O-CG 3.47Å
389G97.9Very high96.9Very high0 Ų037.1 Ų37.10%018%0.182CC..Iπ-helixtrans-80.2-37.4172.100000113.4F385 K449F385-G389 WeakPolarHBondContact O-CA 3.17Å; F385-G389 PolarHBondContact O-N 3.32Å; G389-K449 WeakPolarHBondContact CA-O 3.33Å; G389-K449 VanDerWaalsContact O-CG 3.3Å; G389-K449 WeakPolarHBondContact O-CG 3.31Å; G389-K449 PolarHBondContact O-NZ 3.32Å
390R96.9Very high96.9Very high104 Ų10439.1 Ų39.139%0.39219%0.186SC..Iπ-helixtrans-117-59.5-171.9-58.4-174.6163.1-154.3-15.6113.3E386 K449 D453 Y456E386-R390 WeakPolarHBondContact O-CA 3.34Å; E386-R390 VanDerWaalsContact O-CB 3.27Å; E386-R390 WeakPolarHBondContact O-CB 3.38Å; E386-R390 PolarHBondContact O-N 3.08Å; R390-K449 PolarHBondContact O-NZ 3.29Å; R390-D453 IonicContact CZ-OD1 2.68Å; R390-D453 IonicContact NE-OD1 3.45Å; R390-D453 PolarHBondContact NE-OD1 3.36Å; R390-D453 IonicContact NH2-OD1 3.92Å; R390-D453 PolarHBondContact NH2-OD1 3.41Å; R390-Y456 VanDerWaalsContact NH1-CE1 3.32Å
391N96.9Very high96.8Very high110 Ų11039.4 Ų39.459%0.58819%0.187SC*.Iπ-helixtrans-90.2-27.2-156.7-60.9-19.5000114.4E386 L387 N393E386-N391 PolarHBondContact O-N 3.33Å; L387-N391 PolarHBondContact O-N 3.14Å; N391-N393 PolarHBondContact O-N 3.17Å
392F97.4Very high96.5Very high9 Ų941.4 Ų41.44%0.03920%0.2CC..  trans-70.3125.3-177.7-174-92.9000111.5L387 Y388 Y394 T397 I399 Y407L387-F392 HydrophobicContact CD1-CB 4.31Å; L387-F392 VanDerWaalsContact O-CB 3.29Å; L387-F392 WeakPolarHBondContact O-CB 3.34Å; L387-F392 PolarHBondContact O-N 3.46Å; Y388-F392 HydrophobicContact CD1-CB 3.91Å; Y388-F392 HydrophobicContact CD1-CD1 4.33Å; Y388-F392 HydrophobicContact CD1-CD2 4.23Å; Y388-F392 AromaticContact CD1-CG 3.89Å; Y388-F392 HydrophobicContact CD1-CG 3.89Å; Y388-F392 HydrophobicContact CE1-CB 4.44Å; Y388-F392 AromaticContact CE1-CD2 3.91Å; Y388-F392 HydrophobicContact CE1-CD2 3.91Å; Y388-F392 HydrophobicContact CE1-CE2 4.33Å; Y388-F392 HydrophobicContact CE1-CG 4.04Å; F392-Y394 HydrophobicContact CB-CE2 4.29Å; F392-Y394 HydrophobicContact CD1-CD1 4.12Å; F392-Y394 AromaticContact CD1-CD2 3.79Å; F392-Y394 HydrophobicContact CD1-CD2 3.79Å; F392-Y394 HydrophobicContact CD1-CE1 4.15Å; F392-Y394 AromaticContact CD1-CE2 3.8Å; F392-Y394 HydrophobicContact CD1-CE2 3.8Å; F392-Y394 AromaticContact CD1-CG 3.94Å; F392-Y394 HydrophobicContact CD1-CG 3.94Å; F392-Y394 AromaticContact CD1-CZ 3.98Å; F392-Y394 HydrophobicContact CE1-CD1 4.21Å; F392-Y394 HydrophobicContact CE1-CE1 4.43Å; F392-Y394 HydrophobicContact CE1-CG 4.29Å; F392-Y394 VanDerWaalsContact O-CD2 3.26Å; F392-Y394 WeakPolarHBondContact O-CD2 3.39Å; F392-Y394 PolarHBondContact O-N 2.96Å; F392-Y394 VanDerWaalsContact O-N 3.13Å; F392-T397 HydrophobicContact CD2-CG2 4.48Å; F392-T397 HydrophobicContact CE2-CG2 3.65Å; F392-T397 HydrophobicContact CZ-CG2 3.86Å; F392-T397 WeakPolarHBondContact CZ-O 3.48Å; F392-I399 HydrophobicContact CE2-CD1 4.32Å; F392-I399 HydrophobicContact CE2-CG1 3.94Å; F392-I399 HydrophobicContact CZ-CD1 4.2Å; F392-I399 HydrophobicContact CZ-CG1 3.82Å; F392-Y407 HydrophobicContact CD2-CE1 4.2Å; F392-Y407 AromaticContact CE2-CD1 3.95Å; F392-Y407 HydrophobicContact CE2-CD1 3.95Å; F392-Y407 AromaticContact CE2-CE1 3.74Å; F392-Y407 HydrophobicContact CE2-CE1 3.74Å
393N96.4Very high96Very high71 Ų7148.3 Ų48.338%0.3824%0.237SC..  trans-88.580.3-175.5-169.2-20.8000111.9N391 L395 K396 T397N391-N393 PolarHBondContact O-N 3.17Å; N393-L395 PolarHBondContact O-N 2.98Å; N393-L395 PolarHBondContact OD1-N 3.08Å; N393-L395 VanDerWaalsContact OD1-N 3.15Å; N393-K396 PolarHBondContact O-N 3.5Å; N393-K396 PolarHBondContact OD1-N 3.5Å; N393-T397 WeakPolarHBondContact O-CB 3.29Å; N393-T397 PolarHBondContact O-N 3.28Å
394Y96.3Very high95.5Very high5 Ų548 Ų482%0.0225%0.246CC..THydrogen-bonded Turntrans-50.9-20.4174.9-68.8-92.7000114.9Y388 F392 K410 L426 A445 M446 K449Y388-Y394 WeakPolarHBondContact O-CE2 3.33Å; Y388-Y394 PolarHBondContact O-OH 3.01Å; Y388-Y394 VanDerWaalsContact O-OH 3.07Å; F392-Y394 HydrophobicContact CB-CE2 4.29Å; F392-Y394 HydrophobicContact CD1-CD1 4.12Å; F392-Y394 AromaticContact CD1-CD2 3.79Å; F392-Y394 HydrophobicContact CD1-CD2 3.79Å; F392-Y394 HydrophobicContact CD1-CE1 4.15Å; F392-Y394 AromaticContact CD1-CE2 3.8Å; F392-Y394 HydrophobicContact CD1-CE2 3.8Å; F392-Y394 AromaticContact CD1-CG 3.94Å; F392-Y394 HydrophobicContact CD1-CG 3.94Å; F392-Y394 AromaticContact CD1-CZ 3.98Å; F392-Y394 HydrophobicContact CE1-CD1 4.21Å; F392-Y394 HydrophobicContact CE1-CE1 4.43Å; F392-Y394 HydrophobicContact CE1-CG 4.29Å; F392-Y394 VanDerWaalsContact O-CD2 3.26Å; F392-Y394 WeakPolarHBondContact O-CD2 3.39Å; F392-Y394 PolarHBondContact O-N 2.96Å; F392-Y394 VanDerWaalsContact O-N 3.13Å; Y394-K410 PolarHBondContact O-NZ 2.98Å; Y394-L426 HydrophobicContact CE1-CD1 4.1Å; Y394-A445 HydrophobicContact CE1-CB 4.38Å; Y394-M446 HydrophobicContact CG-SD 4.35Å; Y394-K449 HydrophobicContact CD2-CD 3.77Å; Y394-K449 HydrophobicContact CD2-CG 4.36Å; Y394-K449 HydrophobicContact CE2-CB 4.01Å; Y394-K449 HydrophobicContact CE2-CD 3.77Å; Y394-K449 HydrophobicContact CE2-CG 3.84Å
395L93.9Very high95.2Very high131 Ų13148.7 Ų48.769%0.68625%0.252SS*.THydrogen-bonded Turntrans-84.1-27.9177.7-62.3179000113.6N393 M425N393-L395 PolarHBondContact O-N 2.98Å; N393-L395 PolarHBondContact OD1-N 3.08Å; N393-L395 VanDerWaalsContact OD1-N 3.15Å; L395-M425 HydrophobicContact CD2-CE 4.13Å; L395-M425 HydrophobicContact CD2-SD 4.01Å
396K94.8Very high95Very high126 Ų12651 Ų5155%0.54827%0.268SS..THydrogen-bonded Turntrans-122.2-22.9-172.3-64.3-166.4174.3-1680115.3N393 K410N393-K396 PolarHBondContact O-N 3.5Å; N393-K396 PolarHBondContact OD1-N 3.5Å; K396-K410 WeakPolarHBondContact O-CG 3.44Å; K396-K410 PolarHBondContact O-N 3.32Å
397T96.2Very high94.9Very high31 Ų3152.4 Ų52.419%0.1927%0.271CS..EExtended strand (participates in β ladder)trans-109.7128.8-168.4-55.20000111.6F392 N393 Y407 K410F392-T397 HydrophobicContact CD2-CG2 4.48Å; F392-T397 HydrophobicContact CE2-CG2 3.65Å; F392-T397 HydrophobicContact CZ-CG2 3.86Å; F392-T397 WeakPolarHBondContact CZ-O 3.48Å; N393-T397 WeakPolarHBondContact O-CB 3.29Å; N393-T397 PolarHBondContact O-N 3.28Å; T397-Y407 HydrophobicContact CG2-CD1 4.05Å; T397-Y407 HydrophobicContact CG2-CG 3.9Å; T397-K410 WeakPolarHBondContact O-CE 3.49Å
398G95.8Very high94.8Very high0 Ų051.7 Ų51.70%027%0.268CS..EExtended strand (participates in β ladder)trans-105.7159.6168.500000111.9Y407 V408 Y427G398-Y407 WeakPolarHBondContact O-CA 3.47Å; G398-V408 PolarHBondContact N-O 2.89Å; G398-V408 PolarHBondContact O-N 3.46Å; G398-Y427 WeakPolarHBondContact CA-O 3.35Å
399I97.1Very high94.6Very high0 Ų053.3 Ų53.30%028%0.282CS..EExtended strand (participates in β ladder)trans-102.3132178.1-62.5177.3000109.8M358 S361 Y388 F392 I401 Y407 Y427 I428 E429M358-I399 HydrophobicContact CG-CD1 3.98Å; S361-I399 VanDerWaalsContact CB-CG2 3.5Å; S361-I399 WeakPolarHBondContact OG-CG2 3.48Å; Y388-I399 HydrophobicContact CE1-CD1 3.97Å; F392-I399 HydrophobicContact CE2-CD1 4.32Å; F392-I399 HydrophobicContact CE2-CG1 3.94Å; F392-I399 HydrophobicContact CZ-CD1 4.2Å; F392-I399 HydrophobicContact CZ-CG1 3.82Å; I399-I401 HydrophobicContact CG2-CG2 3.99Å; I399-Y407 HydrophobicContact CG1-CD1 4.43Å; I399-Y407 HydrophobicContact CG1-CE1 4.28Å; I399-Y427 PolarHBondContact N-O 3.34Å; I399-I428 HydrophobicContact CB-CB 4.5Å; I399-I428 HydrophobicContact CB-CG1 4.28Å; I399-I428 HydrophobicContact CB-CG2 4.25Å; I399-I428 HydrophobicContact CD1-CG1 4.26Å; I399-I428 HydrophobicContact CG2-CG2 4.2Å; I399-E429 PolarHBondContact O-N 2.94Å
400R95.5Very high94.4Very high75 Ų7553.9 Ų53.928%0.28328%0.284SS..EExtended strand (participates in β ladder)trans-124.8135.9164.5172.9179.8-66.8148.32.9108.5T402 G405 C406 V408 E429R400-T402 WeakPolarHBondContact CD-OG1 3.21Å; R400-T402 WeakPolarHBondContact CG-OG1 3.22Å; R400-G405 WeakPolarHBondContact O-CA 3.42Å; R400-C406 PolarHBondContact N-O 2.91Å; R400-C406 PolarHBondContact O-N 3Å; R400-V408 HydrophobicContact CB-CG1 4.29Å; R400-E429 IonicContact CZ-OE1 3.17Å; R400-E429 IonicContact CZ-OE2 2.99Å; R400-E429 VanDerWaalsContact NE-CD 3.34Å; R400-E429 IonicContact NE-OE1 3.71Å; R400-E429 PolarHBondContact NE-OE1 3.35Å; R400-E429 IonicContact NE-OE2 2.68Å; R400-E429 PolarHBondContact NE-OE2 2.95Å; R400-E429 IonicContact NH2-OE1 3.68Å; R400-E429 PolarHBondContact NH2-OE1 3.04Å; R400-E429 IonicContact NH2-OE2 3.34Å; R400-E429 PolarHBondContact NH2-OE2 3.09Å
401I94.4Very high94.1Very high6 Ų653.6 Ų53.63%0.03129%0.29CS..  trans-111.5-0.3-178.566.8139.4000114.8F319 L357 V360 Q364 I399 P431F319-I401 HydrophobicContact CE2-CD1 3.52Å; F319-I401 HydrophobicContact CZ-CD1 3.72Å; L357-I401 HydrophobicContact CD2-CD1 3.56Å; L357-I401 HydrophobicContact CD2-CG1 4.18Å; V360-I401 HydrophobicContact CG1-CB 4.35Å; V360-I401 HydrophobicContact CG1-CD1 4.22Å; V360-I401 HydrophobicContact CG1-CG2 4.27Å; Q364-I401 PolarHBondContact NE2-O 3.43Å; I399-I401 HydrophobicContact CG2-CG2 3.99Å; I401-P431 HydrophobicContact CD1-CB 3.92Å; I401-P431 HydrophobicContact CD1-CG 3.89Å; I401-P431 HydrophobicContact CG1-CB 3.99Å; I401-P431 HydrophobicContact CG1-CG 4.2Å
402T90.4Very high93.6Very high43 Ų4353.6 Ų53.626%0.26429%0.287SS..G310 helixtrans-68.4161.7173.567.70000110.9R400 G404 G405R400-T402 WeakPolarHBondContact CD-OG1 3.21Å; R400-T402 WeakPolarHBondContact CG-OG1 3.22Å; T402-G404 PolarHBondContact O-N 2.64Å; T402-G405 WeakPolarHBondContact O-CA 3.34Å; T402-G405 PolarHBondContact O-N 2.88Å
403D87.5Confident93.1Very high165 Ų16553.7 Ų53.788%0.88229%0.288SS*.G310 helixtrans58.922.9166-44.2-59.6000115.8
404G86.4Confident92.6Very high39 Ų3954.7 Ų54.740%0.40229%0.291SS..G310 helixtrans103-10.7-176.100000114.5Q364 T402Q364-G404 WeakPolarHBondContact CB-O 3.3Å; Q364-G404 WeakPolarHBondContact CG-O 3.36Å; Q364-G404 PolarHBondContact NE2-O 2.99Å; T402-G404 PolarHBondContact O-N 2.64Å
405G92.4Very high92Very high13 Ų1361.9 Ų61.913%0.13432%0.322CS..  trans96.2141.7178.100000113.1L365 R400 T402L365-G405 WeakPolarHBondContact CD2-O 3.42Å; R400-G405 WeakPolarHBondContact O-CA 3.42Å; T402-G405 WeakPolarHBondContact O-CA 3.34Å; T402-G405 PolarHBondContact O-N 2.88Å
406C94.9Very high91.2Very high48 Ų4862.4 Ų62.432%0.32433%0.326SS..EExtended strand (participates in β ladder)trans-157.9164174.261.30000112.8R400R400-C406 PolarHBondContact N-O 2.91Å; R400-C406 PolarHBondContact O-N 3Å
407Y96.2Very high90.1Very high91 Ų9158.1 Ų58.136%0.35731%0.308SS..EExtended strand (participates in β ladder)trans-99.8131.4170.7-67-40.2000110.6L365 L387 F392 T397 G398 I399L365-Y407 HydrophobicContact CD1-CD1 3.9Å; L365-Y407 HydrophobicContact CD1-CD2 3.88Å; L365-Y407 HydrophobicContact CD1-CE1 3.59Å; L365-Y407 HydrophobicContact CD1-CE2 3.59Å; L365-Y407 HydrophobicContact CD1-CG 4.02Å; L365-Y407 VanDerWaalsContact CD1-CZ 3.41Å; L387-Y407 WeakPolarHBondContact CD2-OH 3.39Å; F392-Y407 HydrophobicContact CD2-CE1 4.2Å; F392-Y407 AromaticContact CE2-CD1 3.95Å; F392-Y407 HydrophobicContact CE2-CD1 3.95Å; F392-Y407 AromaticContact CE2-CE1 3.74Å; F392-Y407 HydrophobicContact CE2-CE1 3.74Å; T397-Y407 HydrophobicContact CG2-CD1 4.05Å; T397-Y407 HydrophobicContact CG2-CG 3.9Å; G398-Y407 WeakPolarHBondContact O-CA 3.47Å; I399-Y407 HydrophobicContact CG1-CD1 4.43Å; I399-Y407 HydrophobicContact CG1-CE1 4.28Å
408V94.3Very high88.6Confident18 Ų1864.7 Ų64.711%0.10934%0.339CS..EExtended strand (participates in β ladder)trans-113.1147-177.6-64.70000111.3G398 R400 V413 Y427G398-V408 PolarHBondContact N-O 2.89Å; G398-V408 PolarHBondContact O-N 3.46Å; R400-V408 HydrophobicContact CB-CG1 4.29Å; V408-V413 HydrophobicContact CB-CG2 4.17Å; V408-V413 HydrophobicContact CG2-CG2 3.76Å; V408-Y427 HydrophobicContact CG2-CE1 4.33Å
409A94.8Very high86.7Confident35 Ų3573 Ų7329%0.28938%0.383SS..EExtended strand (participates in β ladder)trans-78.2127173.600000110.3D411 E412 V413A409-D411 PolarHBondContact O-N 3.2Å; A409-E412 HydrophobicContact CB-CB 4.34Å; A409-E412 HydrophobicContact CB-CG 3.96Å; A409-E412 WeakPolarHBondContact O-CB 3.22Å; A409-E412 PolarHBondContact O-N 2.9Å; A409-V413 PolarHBondContact O-N 3.15Å; A409-V413 VanDerWaalsContact O-N 3.12Å
410K92.9Very high85.1Confident12 Ų1277 Ų775%0.05242%0.423CS..Hα-helixtrans-59.6-31.9178.2-68.7-177.5-174.3-1680112.3Y394 K396 T397 E412 V413 Q414 P423 S424 M425Y394-K410 PolarHBondContact O-NZ 2.98Å; K396-K410 WeakPolarHBondContact O-CG 3.44Å; K396-K410 PolarHBondContact O-N 3.32Å; T397-K410 WeakPolarHBondContact O-CE 3.49Å; K410-E412 PolarHBondContact O-N 2.93Å; K410-V413 PolarHBondContact O-N 3.42Å; K410-Q414 VanDerWaalsContact O-CB 3.28Å; K410-Q414 WeakPolarHBondContact O-CB 3.39Å; K410-Q414 PolarHBondContact O-N 3.49Å; K410-P423 HydrophobicContact CB-CB 4.12Å; K410-P423 HydrophobicContact CB-CG 4.19Å; K410-P423 HydrophobicContact CD-CB 4.03Å; K410-P423 HydrophobicContact CG-CB 3.99Å; K410-S424 PolarHBondContact NZ-O 2.63Å; K410-M425 PolarHBondContact NZ-O 3.44Å
411D90.8Very high83.9Confident97 Ų9776.5 Ų76.552%0.51942%0.422SS..Hα-helixtrans-70.8-12.6176.2-58.2-37000113.5A409 K415A409-D411 PolarHBondContact O-N 3.2Å; D411-K415 VanDerWaalsContact O-CD 3.23Å; D411-K415 WeakPolarHBondContact O-CD 3.37Å; D411-K415 WeakPolarHBondContact O-CE 3.31Å; D411-K415 VanDerWaalsContact O-CG 3.31Å; D411-K415 WeakPolarHBondContact O-CG 3.42Å; D411-K415 PolarHBondContact O-NZ 3.27Å
412E88.1Confident83.2Confident110 Ų11085.8 Ų85.851%0.51446%0.457SS..Hα-helixtrans-95.4-46.7172.6-65.7172.6163.100110.4A409 K410 Q414 K415 N416A409-E412 HydrophobicContact CB-CB 4.34Å; A409-E412 HydrophobicContact CB-CG 3.96Å; A409-E412 WeakPolarHBondContact O-CB 3.22Å; A409-E412 PolarHBondContact O-N 2.9Å; K410-E412 PolarHBondContact O-N 2.93Å; E412-Q414 VanDerWaalsContact C-N 3.26Å; E412-Q414 PolarHBondContact O-N 3.37Å; E412-K415 WeakPolarHBondContact O-CB 3.14Å; E412-K415 PolarHBondContact O-N 2.92Å; E412-N416 PolarHBondContact O-N 3.42Å
413V86.9Confident83Confident12 Ų1284.3 Ų84.37%0.07345%0.448CS..Hα-helixtrans-51-47.1171.3174.70000110.8V408 A409 K410 K415 N416 M417 P423 Y427V408-V413 HydrophobicContact CB-CG2 4.17Å; V408-V413 HydrophobicContact CG2-CG2 3.76Å; A409-V413 PolarHBondContact O-N 3.15Å; A409-V413 VanDerWaalsContact O-N 3.12Å; K410-V413 PolarHBondContact O-N 3.42Å; V413-K415 VanDerWaalsContact C-N 3.28Å; V413-K415 PolarHBondContact O-N 3.45Å; V413-N416 PolarHBondContact O-N 3.27Å; V413-N416 VanDerWaalsContact O-N 3.15Å; V413-M417 HydrophobicContact CG1-CE 3.71Å; V413-M417 HydrophobicContact CG1-CG 4.38Å; V413-M417 HydrophobicContact CG1-SD 3.7Å; V413-M417 WeakPolarHBondContact O-CG 3.12Å; V413-M417 PolarHBondContact O-N 2.99Å; V413-M417 VanDerWaalsContact O-N 3.1Å; V413-P423 HydrophobicContact CB-CG 4.39Å; V413-P423 HydrophobicContact CG1-CG 4.06Å; V413-Y427 HydrophobicContact CG1-CE1 4.3Å; V413-Y427 HydrophobicContact CG1-CE2 3.84Å; V413-Y427 HydrophobicContact CG2-CE1 4.34Å
414Q85.7Confident83.3Confident91 Ų9177.5 Ų77.543%0.42541%0.414SS..Hα-helixtrans-65.9-23179.7-175.1171.9-26.700114.1K410 E412 P423K410-Q414 VanDerWaalsContact O-CB 3.28Å; K410-Q414 WeakPolarHBondContact O-CB 3.39Å; K410-Q414 PolarHBondContact O-N 3.49Å; E412-Q414 VanDerWaalsContact C-N 3.26Å; E412-Q414 PolarHBondContact O-N 3.37Å; Q414-P423 HydrophobicContact CB-CG 4.27Å
415K83.7Confident83.5Confident157 Ų15778.7 Ų78.768%0.68341%0.409SS*.Hα-helixtrans-78.7-28174.5-68164.3-170.2149.50112.4D411 E412 V413D411-K415 VanDerWaalsContact O-CD 3.23Å; D411-K415 WeakPolarHBondContact O-CD 3.37Å; D411-K415 WeakPolarHBondContact O-CE 3.31Å; D411-K415 VanDerWaalsContact O-CG 3.31Å; D411-K415 WeakPolarHBondContact O-CG 3.42Å; D411-K415 PolarHBondContact O-NZ 3.27Å; E412-K415 WeakPolarHBondContact O-CB 3.14Å; E412-K415 PolarHBondContact O-N 2.92Å; V413-K415 VanDerWaalsContact C-N 3.28Å; V413-K415 PolarHBondContact O-N 3.45Å
416N76.1Confident83.7Confident142 Ų14278.1 Ų78.176%0.75940%0.403SS*.Hα-helixtrans-90.1-19.6-176.6-63.2-10.2000112.3E412 V413E412-N416 PolarHBondContact O-N 3.42Å; V413-N416 PolarHBondContact O-N 3.27Å; V413-N416 VanDerWaalsContact O-N 3.15Å
417M73.1Confident83.7Confident36 Ų3675.9 Ų75.918%0.17739%0.388CS..SBendtrans-80.7149.9175.3-73179162.500112.2V413 Y421 Y427V413-M417 HydrophobicContact CG1-CE 3.71Å; V413-M417 HydrophobicContact CG1-CG 4.38Å; V413-M417 HydrophobicContact CG1-SD 3.7Å; V413-M417 WeakPolarHBondContact O-CG 3.12Å; V413-M417 PolarHBondContact O-N 2.99Å; V413-M417 VanDerWaalsContact O-N 3.1Å; M417-Y421 HydrophobicContact CE-CD1 4.43Å; M417-Y421 HydrophobicContact CE-CE1 4.45Å; M417-Y421 HydrophobicContact SD-CD1 3.33Å; M417-Y421 WeakPolarHBondContact SD-CD1 3.5Å; M417-Y421 HydrophobicContact SD-CE1 3.85Å; M417-Y421 HydrophobicContact SD-CG 4.14Å; M417-Y427 HydrophobicContact CE-CE2 4Å; M417-Y427 WeakPolarHBondContact CE-OH 3.46Å
418M63.3Low83.8Confident169 Ų16971.5 Ų71.583%0.83337%0.371SS*.  trans-62148.2178.8-61.9-12075.500112.2G420 Y421M418-G420 PolarHBondContact O-N 2.95Å; M418-Y421 PolarHBondContact O-N 3.28Å
419D56.1Low83.8Confident175 Ų17571.6 Ų71.694%0.93637%0.37SS*.THydrogen-bonded Turntrans-44.3114.9-168.3-82.1-49.4000114.6
420G63.8Low83.7Confident82 Ų8270.5 Ų70.585%0.84536%0.359SS*.THydrogen-bonded Turntrans107.4-10169.200000115.9M418M418-G420 PolarHBondContact O-N 2.95Å
421Y70.2Confident83.6Confident66 Ų6671.5 Ų71.526%0.25937%0.367SS..  trans-72.9130.9173.3-167-85000111.3M417 M418 D437 R440M417-Y421 HydrophobicContact CE-CD1 4.43Å; M417-Y421 HydrophobicContact CE-CE1 4.45Å; M417-Y421 HydrophobicContact SD-CD1 3.33Å; M417-Y421 WeakPolarHBondContact SD-CD1 3.5Å; M417-Y421 HydrophobicContact SD-CE1 3.85Å; M417-Y421 HydrophobicContact SD-CG 4.14Å; M418-Y421 PolarHBondContact O-N 3.28Å; Y421-D437 VanDerWaalsContact OH-CB 3.24Å; Y421-D437 WeakPolarHBondContact OH-CB 3.4Å; Y421-R440 PolarHBondContact OH-NE 2.84Å; Y421-R440 PolarHBondContact OH-NH2 3.49Å
422R80.3Confident83.6Confident200 Ų20069.9 Ų69.976%0.75536%0.358SS*.  trans-116125.5175.9-171.6-179.6-175.8-176.51110S424R422-S424 PolarHBondContact O-N 2.97Å
423P86.6Confident83.6Confident12 Ų1270.4 Ų70.48%0.07836%0.36CS..  trans-51137.4171.4-30.437.9000112.5K410 V413 Q414 Y427K410-P423 HydrophobicContact CB-CB 4.12Å; K410-P423 HydrophobicContact CB-CG 4.19Å; K410-P423 HydrophobicContact CD-CB 4.03Å; K410-P423 HydrophobicContact CG-CB 3.99Å; V413-P423 HydrophobicContact CB-CG 4.39Å; V413-P423 HydrophobicContact CG1-CG 4.06Å; Q414-P423 HydrophobicContact CB-CG 4.27Å; P423-Y427 HydrophobicContact CB-CD2 3.71Å; P423-Y427 HydrophobicContact CB-CE2 4.45Å; P423-Y427 HydrophobicContact CB-CG 4.19Å; P423-Y427 HydrophobicContact CG-CD2 4.36Å
424S91.8Very high83.5Confident23 Ų2373.3 Ų73.316%0.16138%0.38CS..  trans-72.6-179.7-178.272.70000113K410 R422 L426 D437 G439K410-S424 PolarHBondContact NZ-O 2.63Å; R422-S424 PolarHBondContact O-N 2.97Å; S424-L426 VanDerWaalsContact C-N 3.34Å; S424-L426 PolarHBondContact O-N 3.15Å; S424-L426 VanDerWaalsContact OG-C 3.32Å; S424-L426 PolarHBondContact OG-O 3.17Å; S424-L426 VanDerWaalsContact OG-O 3.12Å; S424-D437 WeakPolarHBondContact CB-OD2 3.32Å; S424-D437 PolarHBondContact N-OD2 3.28Å; S424-D437 PolarHBondContact OG-OD1 3.18Å; S424-D437 PolarHBondContact OG-OD2 3.02Å; S424-G439 PolarHBondContact OG-O 3.21Å
425M92.5Very high83.4Confident64 Ų6475.8 Ų75.832%0.31540%0.396SS..THydrogen-bonded Turntrans-61.8-42.2176.6-173.760.67200111.6L395 K410 A445 M446L395-M425 HydrophobicContact CD2-CE 4.13Å; L395-M425 HydrophobicContact CD2-SD 4.01Å; K410-M425 PolarHBondContact NZ-O 3.44Å; M425-A445 HydrophobicContact CG-CB 4.32Å; M425-M446 HydrophobicContact CE-CG 4.27Å; M425-M446 HydrophobicContact CG-CG 4.12Å; M425-M446 HydrophobicContact CG-SD 4.24Å; M425-M446 HydrophobicContact SD-CG 4.18Å; M425-M446 HydrophobicContact SD-SD 3.94Å
426L95.6Very high83.6Confident0 Ų070.4 Ų70.40%038%0.375CS..THydrogen-bonded Turntrans-110.381.1172.9174.754.3000108.3I350 M358 Y394 S424 I428 G439 A445I350-L426 HydrophobicContact CD1-CD2 3.59Å; I350-L426 HydrophobicContact CG1-CD2 3.81Å; I350-L426 HydrophobicContact CG2-CD2 4.27Å; M358-L426 HydrophobicContact CE-CD1 4.44Å; M358-L426 HydrophobicContact CG-CD1 4.47Å; M358-L426 HydrophobicContact SD-CD1 4.05Å; M358-L426 HydrophobicContact SD-CD2 3.76Å; Y394-L426 HydrophobicContact CE1-CD1 4.1Å; S424-L426 VanDerWaalsContact C-N 3.34Å; S424-L426 PolarHBondContact O-N 3.15Å; S424-L426 VanDerWaalsContact OG-C 3.32Å; S424-L426 PolarHBondContact OG-O 3.17Å; S424-L426 VanDerWaalsContact OG-O 3.12Å; L426-I428 HydrophobicContact CD1-CD1 3.99Å; L426-I428 HydrophobicContact CD1-CG1 3.93Å; L426-I428 HydrophobicContact CD2-CD1 4.27Å; L426-I428 HydrophobicContact CG-CD1 3.96Å; L426-I428 HydrophobicContact CG-CG1 4.01Å; L426-I428 PolarHBondContact O-N 3.44Å; L426-G439 CarbonylContact O-C 3.31Å; L426-G439 WeakPolarHBondContact O-CA 3.29Å; L426-A445 HydrophobicContact CB-CB 3.91Å; L426-A445 HydrophobicContact CD2-CB 4.39Å
427Y95.9Very high84.4Confident1 Ų163.8 Ų63.80%0.00434%0.339CS..  trans-73.7120.7176.6-179.2-87.8000109.8G398 I399 V408 V413 M417 P423 E429 D437G398-Y427 WeakPolarHBondContact CA-O 3.35Å; I399-Y427 PolarHBondContact N-O 3.34Å; V408-Y427 HydrophobicContact CG2-CE1 4.33Å; V413-Y427 HydrophobicContact CG1-CE1 4.3Å; V413-Y427 HydrophobicContact CG1-CE2 3.84Å; V413-Y427 HydrophobicContact CG2-CE1 4.34Å; M417-Y427 HydrophobicContact CE-CE2 4Å; M417-Y427 WeakPolarHBondContact CE-OH 3.46Å; P423-Y427 HydrophobicContact CB-CD2 3.71Å; P423-Y427 HydrophobicContact CB-CE2 4.45Å; P423-Y427 HydrophobicContact CB-CG 4.19Å; P423-Y427 HydrophobicContact CG-CD2 4.36Å; Y427-E429 HydrophobicContact CE1-CB 3.96Å; Y427-E429 PolarHBondContact OH-OE2 3.28Å; Y427-D437 WeakPolarHBondContact CA-OD1 3.24Å; Y427-D437 HydrophobicContact CD2-CB 4Å; Y427-D437 WeakPolarHBondContact CD2-OD2 3.36Å; Y427-D437 HydrophobicContact CE2-CB 4.01Å
428I96.4Very high85.3Confident0 Ų063.2 Ų63.20%034%0.337CS..BIsolated β-bridgetrans-132119.5171.1-50.9179.8000107.7S354 L357 M358 I399 L426 D437 V438S354-I428 WeakPolarHBondContact O-CD1 3.4Å; L357-I428 HydrophobicContact CB-CG2 3.85Å; L357-I428 HydrophobicContact CD1-CG2 3.68Å; L357-I428 HydrophobicContact CG-CG2 4.43Å; M358-I428 HydrophobicContact CG-CD1 3.79Å; M358-I428 HydrophobicContact SD-CD1 4.49Å; I399-I428 HydrophobicContact CB-CB 4.5Å; I399-I428 HydrophobicContact CB-CG1 4.28Å; I399-I428 HydrophobicContact CB-CG2 4.25Å; I399-I428 HydrophobicContact CD1-CG1 4.26Å; I399-I428 HydrophobicContact CG2-CG2 4.2Å; L426-I428 HydrophobicContact CD1-CD1 3.99Å; L426-I428 HydrophobicContact CD1-CG1 3.93Å; L426-I428 HydrophobicContact CD2-CD1 4.27Å; L426-I428 HydrophobicContact CG-CD1 3.96Å; L426-I428 HydrophobicContact CG-CG1 4.01Å; L426-I428 PolarHBondContact O-N 3.44Å; I428-D437 PolarHBondContact N-OD1 3.09Å; I428-D437 CarbonylContact O-C 3.57Å; I428-D437 WeakPolarHBondContact O-CA 3.27Å; I428-V438 HydrophobicContact CB-CB 4.25Å; I428-V438 PolarHBondContact O-N 2.71Å
429E94.3Very high86.7Confident19 Ų1955.1 Ų55.19%0.08930%0.298CS..EExtended strand (participates in β ladder)trans-72.1126.9176.8-160.8169.1104.900110.4I399 R400 Y427 P431 P434I399-E429 PolarHBondContact O-N 2.94Å; R400-E429 IonicContact CZ-OE1 3.17Å; R400-E429 IonicContact CZ-OE2 2.99Å; R400-E429 VanDerWaalsContact NE-CD 3.34Å; R400-E429 IonicContact NE-OE1 3.71Å; R400-E429 PolarHBondContact NE-OE1 3.35Å; R400-E429 IonicContact NE-OE2 2.68Å; R400-E429 PolarHBondContact NE-OE2 2.95Å; R400-E429 IonicContact NH2-OE1 3.68Å; R400-E429 PolarHBondContact NH2-OE1 3.04Å; R400-E429 IonicContact NH2-OE2 3.34Å; R400-E429 PolarHBondContact NH2-OE2 3.09Å; Y427-E429 HydrophobicContact CE1-CB 3.96Å; Y427-E429 PolarHBondContact OH-OE2 3.28Å; E429-P431 WeakPolarHBondContact O-CD 3.49Å; E429-P434 HydrophobicContact CG-CB 4.44Å; E429-P434 WeakPolarHBondContact CG-O 3.46Å
430D92.7Very high88.4Confident12 Ų1252.1 Ų52.16%0.06427%0.273CS..EExtended strand (participates in β ladder)trans-73.6116.3-179.4-163.6-35.6000110.5Y353 L432 Q433 N436 V438Y353-D430 PolarHBondContact OH-OD1 2.84Å; D430-L432 PolarHBondContact O-N 3.4Å; D430-L432 WeakPolarHBondContact OD1-CB 3.19Å; D430-L432 PolarHBondContact OD1-N 3.45Å; D430-Q433 HydrophobicContact CB-CB 4.34Å; D430-Q433 WeakPolarHBondContact CB-O 3.45Å; D430-Q433 CarbonylContact O-C 3.53Å; D430-Q433 VanDerWaalsContact O-C 3.22Å; D430-Q433 PolarHBondContact O-N 3.44Å; D430-N436 HydrophobicContact CB-CB 3.85Å; D430-N436 WeakPolarHBondContact CB-O 3.34Å; D430-N436 PolarHBondContact N-O 2.67Å; D430-N436 PolarHBondContact OD2-ND2 2.92Å; D430-V438 HydrophobicContact CB-CG2 3.43Å; D430-V438 VanDerWaalsContact CB-CG2 3.43Å
431P92.3Very high89.6Confident33 Ų3351.2 Ų51.221%0.21425%0.254CS..THydrogen-bonded Turntrans-59.6-19.4178.928.8-40.2000113.5L315 Y353 L357 I401 E429L315-P431 HydrophobicContact CD2-CB 3.84Å; L315-P431 HydrophobicContact CD2-CG 3.29Å; Y353-P431 VanDerWaalsContact OH-CG 3.3Å; Y353-P431 WeakPolarHBondContact OH-CG 3.38Å; L357-P431 HydrophobicContact CD2-CG 4.25Å; I401-P431 HydrophobicContact CD1-CB 3.92Å; I401-P431 HydrophobicContact CD1-CG 3.89Å; I401-P431 HydrophobicContact CG1-CB 3.99Å; I401-P431 HydrophobicContact CG1-CG 4.2Å; E429-P431 WeakPolarHBondContact O-CD 3.49Å
432L90.8Very high90.7Very high63 Ų6348.1 Ų48.133%0.3324%0.242SC..THydrogen-bonded Turntrans-98-16.9179.9-59.4173.1000112.8K311 A312 L315 D430K311-L432 HydrophobicContact CB-CD1 3.73Å; K311-L432 HydrophobicContact CB-CD2 4.14Å; A312-L432 HydrophobicContact CB-CD1 4.02Å; L315-L432 HydrophobicContact CD2-CD2 4.42Å; L315-L432 HydrophobicContact CD2-CG 4.35Å; D430-L432 PolarHBondContact O-N 3.4Å; D430-L432 WeakPolarHBondContact OD1-CB 3.19Å; D430-L432 PolarHBondContact OD1-N 3.45Å
433Q88.2Confident91.2Very high121 Ų12145 Ų4557%0.56523%0.231SC*.EExtended strand (participates in β ladder)trans-152.979.9-176.3-60.5-164.4-83.800110.8D430 D435 N436D430-Q433 HydrophobicContact CB-CB 4.34Å; D430-Q433 WeakPolarHBondContact CB-O 3.45Å; D430-Q433 CarbonylContact O-C 3.53Å; D430-Q433 VanDerWaalsContact O-C 3.22Å; D430-Q433 PolarHBondContact O-N 3.44Å; Q433-D435 PolarHBondContact O-N 2.68Å; Q433-N436 HydrophobicContact CB-CB 4.01Å; Q433-N436 WeakPolarHBondContact O-CA 3.34Å; Q433-N436 WeakPolarHBondContact O-CB 3.4Å; Q433-N436 PolarHBondContact O-N 2.79Å
434P83.8Confident91.4Very high74 Ų7444.7 Ų44.748%0.48123%0.23SC..EExtended strand (participates in β ladder)trans-55.4-24.2-168.2-30.837.3000117.3E429 N436E429-P434 HydrophobicContact CG-CB 4.44Å; E429-P434 WeakPolarHBondContact CG-O 3.46Å; P434-N436 PolarHBondContact O-N 2.71Å
435D84.2Confident91.5Very high143 Ų14343.6 Ų43.677%0.76522%0.222SC*.EExtended strand (participates in β ladder)trans-73.2-6.1172.8-57.8-60.4000114.1Q433Q433-D435 PolarHBondContact O-N 2.68Å
436N88.7Confident91.6Very high44 Ų4444.1 Ų44.124%0.23523%0.225CC..EExtended strand (participates in β ladder)trans-98.7123.7-177-171.544000111.8D430 Q433 P434 R440D430-N436 HydrophobicContact CB-CB 3.85Å; D430-N436 WeakPolarHBondContact CB-O 3.34Å; D430-N436 PolarHBondContact N-O 2.67Å; D430-N436 PolarHBondContact OD2-ND2 2.92Å; Q433-N436 HydrophobicContact CB-CB 4.01Å; Q433-N436 WeakPolarHBondContact O-CA 3.34Å; Q433-N436 WeakPolarHBondContact O-CB 3.4Å; Q433-N436 PolarHBondContact O-N 2.79Å; P434-N436 PolarHBondContact O-N 2.71Å; N436-R440 PolarHBondContact OD1-NH1 3.01Å
437D91.9Very high91.6Very high3 Ų348.2 Ų48.22%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-89.7105170.4178.9-3.7000109Y421 S424 Y427 I428 G439 R440Y421-D437 VanDerWaalsContact OH-CB 3.24Å; Y421-D437 WeakPolarHBondContact OH-CB 3.4Å; S424-D437 WeakPolarHBondContact CB-OD2 3.32Å; S424-D437 PolarHBondContact N-OD2 3.28Å; S424-D437 PolarHBondContact OG-OD1 3.18Å; S424-D437 PolarHBondContact OG-OD2 3.02Å; Y427-D437 WeakPolarHBondContact CA-OD1 3.24Å; Y427-D437 HydrophobicContact CD2-CB 4Å; Y427-D437 WeakPolarHBondContact CD2-OD2 3.36Å; Y427-D437 HydrophobicContact CE2-CB 4.01Å; I428-D437 PolarHBondContact N-OD1 3.09Å; I428-D437 CarbonylContact O-C 3.57Å; I428-D437 WeakPolarHBondContact O-CA 3.27Å; D437-G439 PolarHBondContact O-N 3.3Å; D437-G439 PolarHBondContact OD1-N 2.79Å; D437-G439 VanDerWaalsContact OD1-N 3.08Å; D437-R440 HydrophobicContact CB-CB 4.19Å; D437-R440 WeakPolarHBondContact O-CB 3.36Å; D437-R440 PolarHBondContact O-N 3Å; D437-R440 VanDerWaalsContact O-N 3.14Å; D437-R440 PolarHBondContact OD1-N 3.13Å
438V92.3Very high91.6Very high23 Ų2348.2 Ų48.214%0.13924%0.244CC..THydrogen-bonded Turntrans-66.6-22.2-176.5-171.50000112.1Y353 S354 L357 I428 D430Y353-V438 HydrophobicContact CD1-CG1 3.49Å; Y353-V438 VanDerWaalsContact CD1-CG1 3.49Å; Y353-V438 HydrophobicContact CE1-CG1 3.98Å; Y353-V438 HydrophobicContact CE1-CG2 4.19Å; Y353-V438 HydrophobicContact CG-CG1 4.34Å; S354-V438 PolarHBondContact OG-O 3.38Å; L357-V438 HydrophobicContact CD1-CB 4.26Å; L357-V438 HydrophobicContact CD1-CG1 4.14Å; L357-V438 HydrophobicContact CD1-CG2 3.96Å; I428-V438 HydrophobicContact CB-CB 4.25Å; I428-V438 PolarHBondContact O-N 2.71Å; D430-V438 HydrophobicContact CB-CG2 3.43Å; D430-V438 VanDerWaalsContact CB-CG2 3.43Å
439G91.9Very high91.7Very high0 Ų050.4 Ų50.40%025%0.254CS..THydrogen-bonded Turntrans-98.17.5176.300000114.4S424 L426 D437 S441 S442S424-G439 PolarHBondContact OG-O 3.21Å; L426-G439 CarbonylContact O-C 3.31Å; L426-G439 WeakPolarHBondContact O-CA 3.29Å; D437-G439 PolarHBondContact O-N 3.3Å; D437-G439 PolarHBondContact OD1-N 2.79Å; D437-G439 VanDerWaalsContact OD1-N 3.08Å; G439-S441 PolarHBondContact O-N 2.9Å; G439-S442 WeakPolarHBondContact O-CB 3.46Å; G439-S442 PolarHBondContact O-N 3.19Å
440R91.6Very high91.8Very high112 Ų11254.2 Ų54.242%0.42327%0.271SS..THydrogen-bonded Turntrans-46.3-39.1176.4-176.2-174.4-66.2130.1-1.7113.8Y421 N436 D437Y421-R440 PolarHBondContact OH-NE 2.84Å; Y421-R440 PolarHBondContact OH-NH2 3.49Å; N436-R440 PolarHBondContact OD1-NH1 3.01Å; D437-R440 HydrophobicContact CB-CB 4.19Å; D437-R440 WeakPolarHBondContact O-CB 3.36Å; D437-R440 PolarHBondContact O-N 3Å; D437-R440 VanDerWaalsContact O-N 3.14Å; D437-R440 PolarHBondContact OD1-N 3.13Å
441S89.8Confident92Very high62 Ų6254.2 Ų54.243%0.43427%0.273SS..THydrogen-bonded Turntrans-85.3-13.8-179.2-560000114G439 Y443G439-S441 PolarHBondContact O-N 2.9Å; S441-Y443 WeakPolarHBondContact O-CD1 3.32Å; S441-Y443 PolarHBondContact O-N 3.44Å
442S93.4Very high92.3Very high1 Ų152.6 Ų52.61%0.00726%0.263CS..  trans-81.854.1-179.3-630000112G348 G349 G439 G444 A445G348-S442 CarbonylContact O-C 3.52Å; G348-S442 WeakPolarHBondContact O-CA 3.27Å; G349-S442 WeakPolarHBondContact O-CA 3.18Å; G349-S442 VanDerWaalsContact O-CB 3.28Å; G349-S442 WeakPolarHBondContact O-CB 3.17Å; G349-S442 PolarHBondContact O-OG 3.49Å; G439-S442 WeakPolarHBondContact O-CB 3.46Å; G439-S442 PolarHBondContact O-N 3.19Å; S442-G444 PolarHBondContact O-N 2.74Å; S442-A445 VanDerWaalsContact O-CB 3.31Å; S442-A445 WeakPolarHBondContact O-CB 3.42Å; S442-A445 PolarHBondContact O-N 3.12Å; S442-A445 VanDerWaalsContact O-N 3.07Å
443Y90.4Very high92.6Very high135 Ų13552.3 Ų52.353%0.52926%0.261SS..THydrogen-bonded Turntrans-64.9-17.4-179.962.7-101.6000113.6F346 T347 G348 S441F346-Y443 PolarHBondContact O-OH 3.26Å; F346-Y443 VanDerWaalsContact O-OH 3.14Å; T347-Y443 PolarHBondContact O-OH 3.12Å; G348-Y443 VanDerWaalsContact CA-CZ 3.48Å; G348-Y443 PolarHBondContact N-OH 3.19Å; S441-Y443 WeakPolarHBondContact O-CD1 3.32Å; S441-Y443 PolarHBondContact O-N 3.44Å
444G91.3Very high93Very high6 Ų651 Ų516%0.06225%0.252CS..THydrogen-bonded Turntrans-97.219.117300000114.3G348 S442 M446 Q447G348-G444 CarbonylContact O-C 3.6Å; G348-G444 VanDerWaalsContact O-C 3.31Å; G348-G444 WeakPolarHBondContact O-CA 3.21Å; G348-G444 PolarHBondContact O-N 3.37Å; S442-G444 PolarHBondContact O-N 2.74Å; G444-M446 PolarHBondContact O-N 3.13Å; G444-Q447 VanDerWaalsContact CA-OE1 3.28Å; G444-Q447 PolarHBondContact O-N 3Å; G444-Q447 VanDerWaalsContact O-N 3.08Å; G444-Q447 PolarHBondContact O-OE1 2.94Å
445A93.5Very high93.6Very high0 Ų047.5 Ų47.50%023%0.229CC..Hα-helixtrans-56.1-22.5177.900000114Y394 M425 L426 S442 V448 K449Y394-A445 HydrophobicContact CE1-CB 4.38Å; M425-A445 HydrophobicContact CG-CB 4.32Å; L426-A445 HydrophobicContact CB-CB 3.91Å; L426-A445 HydrophobicContact CD2-CB 4.39Å; S442-A445 VanDerWaalsContact O-CB 3.31Å; S442-A445 WeakPolarHBondContact O-CB 3.42Å; S442-A445 PolarHBondContact O-N 3.12Å; S442-A445 VanDerWaalsContact O-N 3.07Å; A445-V448 PolarHBondContact O-N 3.17Å; A445-K449 PolarHBondContact O-N 3.11Å
446M95.1Very high94.3Very high74 Ų7443 Ų4337%0.36520%0.202SC..Hα-helixtrans-70.9-33177-65.8-56.8-62.200113.2Y394 M425 G444 V448 K449 Q450Y394-M446 HydrophobicContact CG-SD 4.35Å; M425-M446 HydrophobicContact CE-CG 4.27Å; M425-M446 HydrophobicContact CG-CG 4.12Å; M425-M446 HydrophobicContact CG-SD 4.24Å; M425-M446 HydrophobicContact SD-CG 4.18Å; M425-M446 HydrophobicContact SD-SD 3.94Å; G444-M446 PolarHBondContact O-N 3.13Å; M446-V448 VanDerWaalsContact C-N 3.26Å; M446-K449 HydrophobicContact CE-CD 3.79Å; M446-K449 WeakPolarHBondContact O-CB 3.19Å; M446-K449 PolarHBondContact O-N 3.47Å; M446-K449 HydrophobicContact SD-CD 4.31Å; M446-Q450 WeakPolarHBondContact O-CG 3.43Å; M446-Q450 PolarHBondContact O-N 3.47Å; M446-Q450 VanDerWaalsContact O-N 3.11Å
447Q95.3Very high94.6Very high87 Ų8743.2 Ų43.241%0.40720%0.204SC..Hα-helixtrans-65.3-35.3170-70.483.3-23.800110.5L342 G444 Q450 A451L342-Q447 HydrophobicContact CD2-CB 4.24Å; G444-Q447 VanDerWaalsContact CA-OE1 3.28Å; G444-Q447 PolarHBondContact O-N 3Å; G444-Q447 VanDerWaalsContact O-N 3.08Å; G444-Q447 PolarHBondContact O-OE1 2.94Å; Q447-Q450 PolarHBondContact O-N 3.4Å; Q447-A451 PolarHBondContact O-N 3.43Å
448V96.6Very high94.6Very high0 Ų044.5 Ų44.50%021%0.213CC..Hα-helixtrans-71.9-38.9176.6-171.70000111.9L337 L342 I350 A445 M446 Q450 A451 F452L337-V448 HydrophobicContact CD1-CG1 4.27Å; L337-V448 HydrophobicContact CD2-CG1 3.5Å; L342-V448 HydrophobicContact CB-CG2 4.14Å; L342-V448 HydrophobicContact CD1-CG2 4.29Å; L342-V448 HydrophobicContact CD2-CG2 4.19Å; L342-V448 HydrophobicContact CG-CG2 4.43Å; I350-V448 HydrophobicContact CD1-CB 3.84Å; I350-V448 HydrophobicContact CD1-CG1 3.63Å; I350-V448 HydrophobicContact CD1-CG2 4.17Å; I350-V448 HydrophobicContact CG1-CB 4.24Å; I350-V448 HydrophobicContact CG1-CG1 4.26Å; I350-V448 HydrophobicContact CG1-CG2 3.99Å; A445-V448 PolarHBondContact O-N 3.17Å; M446-V448 VanDerWaalsContact C-N 3.26Å; V448-Q450 VanDerWaalsContact C-N 3.3Å; V448-Q450 PolarHBondContact O-N 3.46Å; V448-A451 PolarHBondContact O-N 2.7Å; V448-A451 VanDerWaalsContact O-N 3.15Å; V448-F452 HydrophobicContact CG1-CD1 4.35Å; V448-F452 HydrophobicContact CG1-CD2 4.16Å; V448-F452 HydrophobicContact CG1-CE1 3.91Å; V448-F452 HydrophobicContact CG1-CE2 3.7Å; V448-F452 HydrophobicContact CG1-CG 4.49Å; V448-F452 HydrophobicContact CG1-CZ 3.56Å; V448-F452 WeakPolarHBondContact O-CG 3.49Å; V448-F452 PolarHBondContact O-N 2.7Å
449K97.3Very high94.7Very high47 Ų4743.4 Ų43.420%0.20421%0.206CC..Hα-helixtrans-54-45.5168.7-177.5-174.7-162.9-61.70111.7Y388 G389 R390 Y394 A445 M446 F452 D453Y388-K449 WeakPolarHBondContact O-CG 3.47Å; G389-K449 WeakPolarHBondContact CA-O 3.33Å; G389-K449 VanDerWaalsContact O-CG 3.3Å; G389-K449 WeakPolarHBondContact O-CG 3.31Å; G389-K449 PolarHBondContact O-NZ 3.32Å; R390-K449 PolarHBondContact O-NZ 3.29Å; Y394-K449 HydrophobicContact CD2-CD 3.77Å; Y394-K449 HydrophobicContact CD2-CG 4.36Å; Y394-K449 HydrophobicContact CE2-CB 4.01Å; Y394-K449 HydrophobicContact CE2-CD 3.77Å; Y394-K449 HydrophobicContact CE2-CG 3.84Å; A445-K449 PolarHBondContact O-N 3.11Å; M446-K449 HydrophobicContact CE-CD 3.79Å; M446-K449 WeakPolarHBondContact O-CB 3.19Å; M446-K449 PolarHBondContact O-N 3.47Å; M446-K449 HydrophobicContact SD-CD 4.31Å; K449-F452 PolarHBondContact O-N 2.84Å; K449-D453 PolarHBondContact O-N 2.94Å
450Q97.1Very high94.7Very high98 Ų9844.7 Ų44.746%0.45822%0.219SC..Hα-helixtrans-63.5-40.2177-71.8172.2-25.500112.3M446 Q447 V448 D453 Y454M446-Q450 WeakPolarHBondContact O-CG 3.43Å; M446-Q450 PolarHBondContact O-N 3.47Å; M446-Q450 VanDerWaalsContact O-N 3.11Å; Q447-Q450 PolarHBondContact O-N 3.4Å; V448-Q450 VanDerWaalsContact C-N 3.3Å; V448-Q450 PolarHBondContact O-N 3.46Å; Q450-D453 PolarHBondContact O-N 2.95Å; Q450-Y454 PolarHBondContact O-N 3.15Å; Q450-Y454 VanDerWaalsContact O-N 3.1Å
451A96.9Very high94.6Very high12 Ų1245.3 Ų45.310%0.09923%0.226CC..Hα-helixtrans-64.7-41.317500000112F336 L342 Q447 V448 Y454 A455F336-A451 HydrophobicContact CE1-CB 3.81Å; F336-A451 HydrophobicContact CZ-CB 3.96Å; F336-A451 VanDerWaalsContact CZ-O 3.31Å; F336-A451 WeakPolarHBondContact CZ-O 3.47Å; L342-A451 HydrophobicContact CD1-CB 3.85Å; Q447-A451 PolarHBondContact O-N 3.43Å; V448-A451 PolarHBondContact O-N 2.7Å; V448-A451 VanDerWaalsContact O-N 3.15Å; A451-Y454 WeakPolarHBondContact O-CB 3.41Å; A451-Y454 PolarHBondContact O-N 3.22Å; A451-A455 PolarHBondContact O-N 3.29Å
452F98.4Very high94.5Very high0 Ų043 Ų430%021%0.211CC..Hα-helixtrans-65.6-39.9175.8-67.1-20.4000112.8L333 F336 L337 L355 M358 F384 F385 V448 K449 A455 Y456L333-F452 HydrophobicContact CD2-CE1 4.35Å; F336-F452 HydrophobicContact CD1-CD1 4.2Å; F336-F452 HydrophobicContact CD1-CE1 4.06Å; F336-F452 AromaticContact CE1-CD1 3.77Å; F336-F452 HydrophobicContact CE1-CD1 3.77Å; F336-F452 HydrophobicContact CE1-CE1 4.05Å; L337-F452 HydrophobicContact CD2-CE1 3.89Å; L337-F452 HydrophobicContact CD2-CZ 4.31Å; L355-F452 HydrophobicContact CD1-CZ 4.32Å; M358-F452 HydrophobicContact CE-CE2 4.15Å; F384-F452 HydrophobicContact CE1-CE1 4.3Å; F384-F452 HydrophobicContact CE1-CE2 4.06Å; F384-F452 AromaticContact CE1-CZ 3.93Å; F384-F452 HydrophobicContact CE1-CZ 3.93Å; F384-F452 HydrophobicContact CZ-CE2 4.49Å; F384-F452 HydrophobicContact CZ-CZ 4.43Å; F385-F452 HydrophobicContact CD1-CB 3.96Å; F385-F452 AromaticContact CD1-CD1 3.55Å; F385-F452 HydrophobicContact CD1-CD1 3.55Å; F385-F452 HydrophobicContact CD1-CE1 4.27Å; F385-F452 AromaticContact CD1-CG 3.94Å; F385-F452 HydrophobicContact CD1-CG 3.94Å; F385-F452 AromaticContact CE1-CD1 3.53Å; F385-F452 HydrophobicContact CE1-CD1 3.53Å; F385-F452 AromaticContact CE1-CE1 3.93Å; F385-F452 HydrophobicContact CE1-CE1 3.93Å; F385-F452 HydrophobicContact CE1-CG 4.38Å; V448-F452 HydrophobicContact CG1-CD1 4.35Å; V448-F452 HydrophobicContact CG1-CD2 4.16Å; V448-F452 HydrophobicContact CG1-CE1 3.91Å; V448-F452 HydrophobicContact CG1-CE2 3.7Å; V448-F452 HydrophobicContact CG1-CG 4.49Å; V448-F452 HydrophobicContact CG1-CZ 3.56Å; V448-F452 WeakPolarHBondContact O-CG 3.49Å; V448-F452 PolarHBondContact O-N 2.7Å; K449-F452 PolarHBondContact O-N 2.84Å; F452-A455 PolarHBondContact O-N 3.3Å; F452-Y456 PolarHBondContact O-N 3.47Å
453D98Very high94.4Very high56 Ų5643.9 Ų43.930%0.29922%0.217SC..Hα-helixtrans-60.8-44.9173.6-176.323.3000111.8R390 K449 Q450 A455 Y456 V457R390-D453 IonicContact CZ-OD1 2.68Å; R390-D453 IonicContact NE-OD1 3.45Å; R390-D453 PolarHBondContact NE-OD1 3.36Å; R390-D453 IonicContact NH2-OD1 3.92Å; R390-D453 PolarHBondContact NH2-OD1 3.41Å; K449-D453 PolarHBondContact O-N 2.94Å; Q450-D453 PolarHBondContact O-N 2.95Å; D453-A455 VanDerWaalsContact C-N 3.34Å; D453-A455 PolarHBondContact O-N 2.97Å; D453-Y456 PolarHBondContact O-N 2.98Å; D453-V457 WeakPolarHBondContact O-CG2 3.4Å; D453-V457 PolarHBondContact O-N 3.14Å
454Y96Very high94.3Very high95 Ų9539.4 Ų39.437%0.37321%0.205SC..Hα-helixtrans-56.7-45.9171.6168.9-88.7000112.1Q450 A451 Y456 V457 V458Q450-Y454 PolarHBondContact O-N 3.15Å; Q450-Y454 VanDerWaalsContact O-N 3.1Å; A451-Y454 WeakPolarHBondContact O-CB 3.41Å; A451-Y454 PolarHBondContact O-N 3.22Å; Y454-Y456 PolarHBondContact O-N 3Å; Y454-V457 PolarHBondContact O-N 3.43Å; Y454-V458 HydrophobicContact CD1-CG2 4.34Å; Y454-V458 HydrophobicContact CD2-CG2 4.18Å; Y454-V458 HydrophobicContact CE1-CG2 3.93Å; Y454-V458 HydrophobicContact CE2-CG2 3.78Å; Y454-V458 HydrophobicContact CG-CG2 4.44Å; Y454-V458 WeakPolarHBondContact O-CB 3.39Å; Y454-V458 WeakPolarHBondContact O-CG2 3.31Å; Y454-V458 PolarHBondContact O-N 2.86Å
455A97Very high93.7Very high0 Ų044.1 Ų44.10%023%0.234CC..Hα-helixtrans-63.8-40.3-179.500000112.6F336 F385 A451 F452 D453 L459 I482F336-A455 HydrophobicContact CE2-CB 3.65Å; F336-A455 HydrophobicContact CZ-CB 3.76Å; F385-A455 HydrophobicContact CB-CB 4.46Å; F385-A455 HydrophobicContact CD1-CB 3.79Å; F385-A455 HydrophobicContact CD2-CB 3.74Å; F385-A455 HydrophobicContact CE1-CB 3.81Å; F385-A455 HydrophobicContact CE2-CB 3.76Å; F385-A455 HydrophobicContact CG-CB 3.76Å; F385-A455 HydrophobicContact CZ-CB 3.79Å; A451-A455 PolarHBondContact O-N 3.29Å; F452-A455 PolarHBondContact O-N 3.3Å; D453-A455 VanDerWaalsContact C-N 3.34Å; D453-A455 PolarHBondContact O-N 2.97Å; A455-L459 WeakPolarHBondContact O-CB 3.16Å; A455-L459 WeakPolarHBondContact O-CG 3.28Å; A455-L459 PolarHBondContact O-N 2.89Å; A455-I482 HydrophobicContact CB-CD1 4.4Å; A455-I482 HydrophobicContact CB-CG2 4.2Å
456Y97.6Very high93Very high49 Ų4948.9 Ų48.919%0.19226%0.259CS..Hα-helixtrans-59.4-48.7172.8169.3-90.6000111.8I382 E386 R390 F452 D453 Y454 G460I382-Y456 HydrophobicContact CG2-CD2 3.87Å; I382-Y456 HydrophobicContact CG2-CE2 4.04Å; E386-Y456 HydrophobicContact CB-CD2 3.44Å; E386-Y456 VanDerWaalsContact CB-CD2 3.44Å; E386-Y456 HydrophobicContact CB-CE2 3.43Å; E386-Y456 VanDerWaalsContact CB-CE2 3.43Å; E386-Y456 HydrophobicContact CB-CG 4.37Å; E386-Y456 HydrophobicContact CG-CD2 3.86Å; E386-Y456 HydrophobicContact CG-CE2 3.39Å; E386-Y456 WeakPolarHBondContact OE1-CE2 3.48Å; E386-Y456 VanDerWaalsContact OE1-CZ 3.26Å; E386-Y456 PolarHBondContact OE1-OH 3.4Å; R390-Y456 VanDerWaalsContact NH1-CE1 3.32Å; F452-Y456 PolarHBondContact O-N 3.47Å; D453-Y456 PolarHBondContact O-N 2.98Å; Y454-Y456 PolarHBondContact O-N 3Å; Y456-G460 WeakPolarHBondContact O-CA 3.46Å; Y456-G460 PolarHBondContact O-N 3.36Å
457V94.6Very high92.1Very high47 Ų4746 Ų4629%0.28525%0.247SC..Hα-helixtrans-61.7-47.7179.8173.40000111D453 Y454 G460 H461D453-V457 WeakPolarHBondContact O-CG2 3.4Å; D453-V457 PolarHBondContact O-N 3.14Å; Y454-V457 PolarHBondContact O-N 3.43Å; V457-G460 PolarHBondContact O-N 3.04Å; V457-H461 WeakPolarHBondContact O-CB 3.5Å; V457-H461 PolarHBondContact O-CD2 3.26Å; V457-H461 VanDerWaalsContact O-CG 3.28Å; V457-H461 PolarHBondContact O-N 2.96Å
458V92.7Very high90.7Very high31 Ų3148 Ų4819%0.18825%0.254CS..Hα-helixtrans-66.1-47-176.4170.40000111.8Y454 A462 R481 I482Y454-V458 HydrophobicContact CD1-CG2 4.34Å; Y454-V458 HydrophobicContact CD2-CG2 4.18Å; Y454-V458 HydrophobicContact CE1-CG2 3.93Å; Y454-V458 HydrophobicContact CE2-CG2 3.78Å; Y454-V458 HydrophobicContact CG-CG2 4.44Å; Y454-V458 WeakPolarHBondContact O-CB 3.39Å; Y454-V458 WeakPolarHBondContact O-CG2 3.31Å; Y454-V458 PolarHBondContact O-N 2.86Å; V458-A462 WeakPolarHBondContact O-CB 3.41Å; V458-A462 PolarHBondContact O-N 2.93Å; V458-R481 HydrophobicContact CG1-CB 3.49Å; V458-R481 VanDerWaalsContact CG1-CB 3.49Å; V458-R481 HydrophobicContact CG1-CG 4.49Å; V458-I482 HydrophobicContact CB-CG2 3.93Å; V458-I482 HydrophobicContact CG1-CG2 3.69Å
459L93.8Very high89.2Confident0 Ų056.4 Ų56.40%029%0.287CS..Hα-helixtrans-67.3-43.7176.1-71.9-178.2000111.7L189 L381 I382 F385 A455 H461 A462 V463 I478 I482L189-L459 HydrophobicContact CD1-CD2 4Å; L189-L459 HydrophobicContact CD2-CD1 4.16Å; L189-L459 HydrophobicContact CD2-CD2 4.21Å; L381-L459 HydrophobicContact CD2-CD1 3.85Å; L381-L459 HydrophobicContact CG-CD1 4.16Å; I382-L459 HydrophobicContact CD1-CB 4.11Å; I382-L459 HydrophobicContact CG1-CB 3.82Å; I382-L459 HydrophobicContact CG1-CD1 4.03Å; F385-L459 HydrophobicContact CD2-CD1 4Å; F385-L459 HydrophobicContact CE2-CD1 3.91Å; A455-L459 WeakPolarHBondContact O-CB 3.16Å; A455-L459 WeakPolarHBondContact O-CG 3.28Å; A455-L459 PolarHBondContact O-N 2.89Å; L459-H461 VanDerWaalsContact C-N 3.3Å; L459-H461 PolarHBondContact O-N 3Å; L459-A462 PolarHBondContact O-N 3.34Å; L459-V463 WeakPolarHBondContact O-CG2 3.35Å; L459-V463 PolarHBondContact O-N 3.06Å; L459-I478 HydrophobicContact CD2-CG2 4.25Å; L459-I482 HydrophobicContact CD1-CD1 3.65Å; L459-I482 HydrophobicContact CD1-CG1 4.43Å; L459-I482 HydrophobicContact CD2-CD1 4.26Å; L459-I482 HydrophobicContact CD2-CG1 4.15Å; L459-I482 HydrophobicContact CD2-CG2 4.35Å; L459-I482 HydrophobicContact CG-CD1 4Å; L459-I482 HydrophobicContact CG-CG1 4.3Å; L459-I482 HydrophobicContact CG-CG2 4.09Å
460G92.4Very high87.6Confident27 Ų2761.1 Ų61.128%0.27830%0.304SS..Hα-helixtrans-60.1-36.917900000113.1Y456 V457 S464Y456-G460 WeakPolarHBondContact O-CA 3.46Å; Y456-G460 PolarHBondContact O-N 3.36Å; V457-G460 PolarHBondContact O-N 3.04Å; G460-S464 PolarHBondContact O-N 3.44Å
461H89.2Confident85.8Confident124 Ų12462.7 Ų62.757%0.57432%0.323SS*.Hα-helixtrans-69.1-43.7170.4-72.8-171.7000112V457 L459 V463 S464V457-H461 WeakPolarHBondContact O-CB 3.5Å; V457-H461 PolarHBondContact O-CD2 3.26Å; V457-H461 VanDerWaalsContact O-CG 3.28Å; V457-H461 PolarHBondContact O-N 2.96Å; L459-H461 VanDerWaalsContact C-N 3.3Å; L459-H461 PolarHBondContact O-N 3Å; H461-V463 PolarHBondContact O-N 3.13Å; H461-S464 WeakPolarHBondContact O-CB 3.35Å; H461-S464 PolarHBondContact O-N 3.5Å
462A88.4Confident84.1Confident14 Ų1464.9 Ų64.912%0.11633%0.333CS..Hα-helixtrans-69.4-31-176.500000114V458 L459 I478V458-A462 WeakPolarHBondContact O-CB 3.41Å; V458-A462 PolarHBondContact O-N 2.93Å; L459-A462 PolarHBondContact O-N 3.34Å; A462-I478 HydrophobicContact CB-CG2 3.9Å
463V90.6Very high82.3Confident20 Ų2069.3 Ų69.312%0.12136%0.357CS..THydrogen-bonded Turntrans-90.4-0.6176.3-54.60000114.2G185 V186 L189 I382 L459 H461 I478G185-V463 WeakPolarHBondContact CA-O 3.2Å; V186-V463 HydrophobicContact CG1-CB 3.96Å; V186-V463 HydrophobicContact CG1-CG1 4.31Å; V186-V463 HydrophobicContact CG1-CG2 3.78Å; L189-V463 HydrophobicContact CB-CG1 4.05Å; L189-V463 HydrophobicContact CD2-CG1 3.94Å; I382-V463 HydrophobicContact CD1-CG1 4.15Å; I382-V463 HydrophobicContact CD1-CG2 3.65Å; L459-V463 WeakPolarHBondContact O-CG2 3.35Å; L459-V463 PolarHBondContact O-N 3.06Å; H461-V463 PolarHBondContact O-N 3.13Å; V463-I478 HydrophobicContact CG1-CG2 4.15Å
464S87.9Confident80.5Confident41 Ų4174.7 Ų74.729%0.28738%0.38SS..SBendtrans-69.2142.7-178.2178.10000111.9G460 H461 I466 A467G460-S464 PolarHBondContact O-N 3.44Å; H461-S464 WeakPolarHBondContact O-CB 3.35Å; H461-S464 PolarHBondContact O-N 3.5Å; S464-I466 PolarHBondContact O-N 2.81Å; S464-I466 PolarHBondContact OG-N 2.88Å; S464-A467 WeakPolarHBondContact O-CB 3.4Å; S464-A467 PolarHBondContact O-N 3.44Å
465P80Confident78.9Confident104 Ų10475.8 Ų75.868%0.67539%0.393SS*.THydrogen-bonded Turntrans-58.2-12.2170-24.935000114.8K468P465-K468 VanDerWaalsContact O-CE 3.31Å; P465-K468 WeakPolarHBondContact O-CE 3.36Å
466I78.1Confident78Confident100 Ų10079.9 Ų79.951%0.51341%0.412SS..THydrogen-bonded Turntrans-92.2-11.3176.9-54.3178.1000111.4S464 K468 Y469 Y470S464-I466 PolarHBondContact O-N 2.81Å; S464-I466 PolarHBondContact OG-N 2.88Å; I466-K468 PolarHBondContact O-N 2.78Å; I466-K468 VanDerWaalsContact O-N 3.08Å; I466-Y469 HydrophobicContact CG2-CD2 4.06Å; I466-Y469 PolarHBondContact O-N 3.48Å; I466-Y470 HydrophobicContact CG2-CE2 4.23Å
467A75.8Confident77.6Confident13 Ų1377.8 Ų77.811%0.10740%0.404CS..G310 helixtrans-54.8-32.9-177.100000113.6S464 Y469 Y470 N472S464-A467 WeakPolarHBondContact O-CB 3.4Å; S464-A467 PolarHBondContact O-N 3.44Å; A467-Y469 PolarHBondContact O-N 2.85Å; A467-Y470 PolarHBondContact O-N 3.33Å; A467-Y470 VanDerWaalsContact O-N 3.12Å; A467-N472 PolarHBondContact O-ND2 2.92Å
468K67Low77.5Confident130 Ų13076.7 Ų76.757%0.56540%0.396SS*.G310 helixtrans-64.3-10.8175.167.4-170.7175.8-167.60116P465 I466P465-K468 VanDerWaalsContact O-CE 3.31Å; P465-K468 WeakPolarHBondContact O-CE 3.36Å; I466-K468 PolarHBondContact O-N 2.78Å; I466-K468 VanDerWaalsContact O-N 3.08Å
469Y65.1Low77.5Confident177 Ų17775.2 Ų75.269%0.69439%0.388SS*.G310 helixtrans-99.8-6.3175-58.9-70.3000113.1I466 A467I466-Y469 HydrophobicContact CG2-CD2 4.06Å; I466-Y469 PolarHBondContact O-N 3.48Å; A467-Y469 PolarHBondContact O-N 2.85Å
470Y63.2Low77.4Confident145 Ų14575.4 Ų75.457%0.56939%0.39SS*.THydrogen-bonded Turntrans-90.3159166.8-72.9-91.2000109.5I466 A467 N472I466-Y470 HydrophobicContact CG2-CE2 4.23Å; A467-Y470 PolarHBondContact O-N 3.33Å; A467-Y470 VanDerWaalsContact O-N 3.12Å; Y470-N472 PolarHBondContact O-N 3.49Å
471P59.3Low77.3Confident131 Ų13176.5 Ų76.585%0.85139%0.386SS*.THydrogen-bonded Turntrans-73.852.5172.933.6-37.2000111.8
472N60.8Low77.5Confident58 Ų5870.7 Ų70.731%0.3136%0.359SS..  trans-78116.3165.2-68.7-57.4000107.2A467 Y470 R481A467-N472 PolarHBondContact O-ND2 2.92Å; Y470-N472 PolarHBondContact O-N 3.49Å; N472-R481 VanDerWaalsContact CG-NH2 3.35Å; N472-R481 PolarHBondContact OD1-NH2 3.45Å
473N61.3Low77.8Confident93 Ų9370.1 Ų70.150%0.49735%0.354SS..  trans-73.7131175.9-163.9-13.2000108.8N475 E476N473-N475 PolarHBondContact O-N 3.12Å; N473-E476 HydrophobicContact CB-CG 3.91Å; N473-E476 VanDerWaalsContact CB-OE1 3.27Å; N473-E476 WeakPolarHBondContact CB-OE1 3.34Å; N473-E476 PolarHBondContact N-OE2 2.8Å; N473-E476 VanDerWaalsContact O-CB 3.31Å; N473-E476 WeakPolarHBondContact O-CB 3.24Å; N473-E476 PolarHBondContact O-N 2.74Å
474E59.7Low77.9Confident170 Ų17071.5 Ų71.579%0.79436%0.357SS*.THydrogen-bonded Turntrans-58.1-26.9-178.7-63.6177.6-179.600112.2K178 E476K178-E474 PolarHBondContact NZ-O 3.34Å; E474-E476 VanDerWaalsContact C-N 3.28Å; E474-E476 PolarHBondContact O-N 2.84Å
475N63.5Low78.1Confident118 Ų11869.6 Ų69.663%0.63134%0.343SS*.THydrogen-bonded Turntrans-71.3-16.1175-66.2-26.2000113.7K178 N473K178-N475 PolarHBondContact NZ-O 3.43Å; N473-N475 PolarHBondContact O-N 3.12Å
476E77.4Confident78.6Confident86 Ų8665.2 Ų65.240%0.40232%0.315SS..SBendtrans-73.8149.1178.4-71.9157.5-168.300113.1K178 N473 E474 R481K178-E476 VanDerWaalsContact NZ-C 3.34Å; K178-E476 PolarHBondContact NZ-O 2.67Å; N473-E476 HydrophobicContact CB-CG 3.91Å; N473-E476 VanDerWaalsContact CB-OE1 3.27Å; N473-E476 WeakPolarHBondContact CB-OE1 3.34Å; N473-E476 PolarHBondContact N-OE2 2.8Å; N473-E476 VanDerWaalsContact O-CB 3.31Å; N473-E476 WeakPolarHBondContact O-CB 3.24Å; N473-E476 PolarHBondContact O-N 2.74Å; E474-E476 VanDerWaalsContact C-N 3.28Å; E474-E476 PolarHBondContact O-N 2.84Å; E476-R481 VanDerWaalsContact CB-NH1 3.33Å; E476-R481 IonicContact OE2-CZ 3.01Å; E476-R481 IonicContact OE2-NH1 3.19Å; E476-R481 IonicContact OE2-NH2 2.63Å; E476-R481 PolarHBondContact OE2-NH2 3.08Å
477S88.6Confident79.2Confident5 Ų565 Ų654%0.03531%0.311CS..  trans-80.3134.7173.5167.40000110.7E192 G480 R481E192-S477 WeakPolarHBondContact OE1-CA 3.4Å; E192-S477 WeakPolarHBondContact OE1-CB 3.43Å; E192-S477 PolarHBondContact OE1-OG 2.78Å; E192-S477 PolarHBondContact OE2-OG 2.86Å; S477-G480 WeakPolarHBondContact OG-CA 3.38Å; S477-G480 PolarHBondContact OG-N 3.29Å; S477-R481 PolarHBondContact O-NH1 2.7Å
478I91.9Very high79.9Confident23 Ų2368.6 Ų68.612%0.11833%0.326CS..SBendtrans-71.1-52.4179.7-55.3176.2000108.4L189 E192 L459 A462 V463 G480 R481L189-I478 HydrophobicContact CB-CG2 4.39Å; L189-I478 HydrophobicContact CD1-CG2 4.08Å; E192-I478 WeakPolarHBondContact OE2-CA 3.14Å; E192-I478 WeakPolarHBondContact OE2-CB 3.27Å; E192-I478 PolarHBondContact OE2-N 3.39Å; L459-I478 HydrophobicContact CD2-CG2 4.25Å; A462-I478 HydrophobicContact CB-CG2 3.9Å; V463-I478 HydrophobicContact CG1-CG2 4.15Å; I478-G480 PolarHBondContact O-N 2.47Å; I478-R481 WeakPolarHBondContact O-CB 2.93Å; I478-R481 PolarHBondContact O-N 3.12Å
479L94.4Very high81.1Confident0 Ų062.6 Ų62.60%030%0.3CS..G310 helixtrans-62.1-33.6174.2-173.556000111.5L189 E192 I193 F196 V332 L381 R481 I482 I483L189-L479 HydrophobicContact CD1-CB 4.2Å; L189-L479 HydrophobicContact CD1-CD1 4.4Å; E192-L479 HydrophobicContact CG-CB 3.84Å; E192-L479 HydrophobicContact CG-CD2 4.19Å; E192-L479 WeakPolarHBondContact OE2-CB 3.39Å; E192-L479 PolarHBondContact OE2-N 3.01Å; I193-L479 HydrophobicContact CG1-CD1 4.36Å; I193-L479 HydrophobicContact CG1-CD2 3.94Å; F196-L479 HydrophobicContact CB-CD2 3.63Å; F196-L479 HydrophobicContact CD1-CD2 4.16Å; F196-L479 HydrophobicContact CG-CD2 3.84Å; V332-L479 HydrophobicContact CG1-CD1 3.99Å; V332-L479 HydrophobicContact CG2-CD2 4.47Å; L381-L479 HydrophobicContact CD2-CD1 4.13Å; L479-R481 PolarHBondContact O-N 3.1Å; L479-R481 VanDerWaalsContact O-N 3.09Å; L479-I482 HydrophobicContact CD1-CD1 4.21Å; L479-I482 HydrophobicContact CD1-CG1 4.18Å; L479-I482 VanDerWaalsContact O-CG1 3.27Å; L479-I482 WeakPolarHBondContact O-CG1 3.31Å; L479-I482 PolarHBondContact O-N 3.36Å; L479-I483 HydrophobicContact CD1-CD1 3.94Å; L479-I483 HydrophobicContact CD1-CG1 3.92Å; L479-I483 HydrophobicContact CD2-CD1 4Å; L479-I483 HydrophobicContact CD2-CG1 4.46Å; L479-I483 HydrophobicContact CG-CD1 3.73Å; L479-I483 HydrophobicContact CG-CG1 3.69Å; L479-I483 PolarHBondContact O-N 3.35Å
480G91.3Very high82.5Confident5 Ų555.4 Ų55.45%0.05227%0.274CS..G310 helixtrans-58.9-13.7175.100000116.5S477 I478 I483 R484S477-G480 WeakPolarHBondContact OG-CA 3.38Å; S477-G480 PolarHBondContact OG-N 3.29Å; I478-G480 PolarHBondContact O-N 2.47Å; G480-I483 CarbonylContact C-O 3.48Å; G480-I483 WeakPolarHBondContact CA-O 3.27Å; G480-R484 PolarHBondContact O-NE 3.15Å; G480-R484 VanDerWaalsContact O-NE 3.09Å
481R90.3Very high83.9Confident50 Ų5053.9 Ų53.919%0.18927%0.272CS..G310 helixtrans-79-25.4172.7-64.8162.4159.963.57.6112.3V458 N472 E476 S477 I478 L479V458-R481 HydrophobicContact CG1-CB 3.49Å; V458-R481 VanDerWaalsContact CG1-CB 3.49Å; V458-R481 HydrophobicContact CG1-CG 4.49Å; N472-R481 VanDerWaalsContact CG-NH2 3.35Å; N472-R481 PolarHBondContact OD1-NH2 3.45Å; E476-R481 VanDerWaalsContact CB-NH1 3.33Å; E476-R481 IonicContact OE2-CZ 3.01Å; E476-R481 IonicContact OE2-NH1 3.19Å; E476-R481 IonicContact OE2-NH2 2.63Å; E476-R481 PolarHBondContact OE2-NH2 3.08Å; S477-R481 PolarHBondContact O-NH1 2.7Å; I478-R481 WeakPolarHBondContact O-CB 2.93Å; I478-R481 PolarHBondContact O-N 3.12Å; L479-R481 PolarHBondContact O-N 3.1Å; L479-R481 VanDerWaalsContact O-N 3.09Å
482I93.3Very high85.6Confident2 Ų249 Ų491%0.0124%0.237CC..THydrogen-bonded Turntrans-113.3-29.5179.864.5154000114F336 R340 F385 A455 V458 L459 L479F336-I482 HydrophobicContact CD2-CB 4.14Å; F336-I482 HydrophobicContact CD2-CD1 4.15Å; F336-I482 HydrophobicContact CE2-CB 4.07Å; R340-I482 PolarHBondContact NH1-O 3.39Å; R340-I482 PolarHBondContact NH2-O 3.03Å; F385-I482 HydrophobicContact CE2-CD1 3.53Å; F385-I482 HydrophobicContact CZ-CD1 3.86Å; A455-I482 HydrophobicContact CB-CD1 4.4Å; A455-I482 HydrophobicContact CB-CG2 4.2Å; V458-I482 HydrophobicContact CB-CG2 3.93Å; V458-I482 HydrophobicContact CG1-CG2 3.69Å; L459-I482 HydrophobicContact CD1-CD1 3.65Å; L459-I482 HydrophobicContact CD1-CG1 4.43Å; L459-I482 HydrophobicContact CD2-CD1 4.26Å; L459-I482 HydrophobicContact CD2-CG1 4.15Å; L459-I482 HydrophobicContact CD2-CG2 4.35Å; L459-I482 HydrophobicContact CG-CD1 4Å; L459-I482 HydrophobicContact CG-CG1 4.3Å; L459-I482 HydrophobicContact CG-CG2 4.09Å; L479-I482 HydrophobicContact CD1-CD1 4.21Å; L479-I482 HydrophobicContact CD1-CG1 4.18Å; L479-I482 VanDerWaalsContact O-CG1 3.27Å; L479-I482 WeakPolarHBondContact O-CG1 3.31Å; L479-I482 PolarHBondContact O-N 3.36Å
483I93.9Very high87.2Confident1 Ų146.3 Ų46.31%0.00522%0.223CC..  trans-127.6149.5174.466169.2000112.2W177 F196 V332 Q335 F336 L479 G480W177-I483 HydrophobicContact CH2-CG1 4.23Å; F196-I483 HydrophobicContact CD1-CD1 4.14Å; F196-I483 HydrophobicContact CD2-CD1 3.82Å; F196-I483 HydrophobicContact CE1-CD1 3.83Å; F196-I483 HydrophobicContact CE2-CD1 3.49Å; F196-I483 VanDerWaalsContact CE2-CD1 3.49Å; F196-I483 HydrophobicContact CG-CD1 4.14Å; F196-I483 HydrophobicContact CZ-CD1 3.5Å; F196-I483 VanDerWaalsContact CZ-CD1 3.5Å; V332-I483 HydrophobicContact CG1-CD1 4.42Å; Q335-I483 HydrophobicContact CG-CB 4.24Å; Q335-I483 HydrophobicContact CG-CD1 4.36Å; F336-I483 HydrophobicContact CB-CG2 3.62Å; F336-I483 HydrophobicContact CD2-CG2 3.92Å; F336-I483 HydrophobicContact CG-CG2 4.28Å; L479-I483 HydrophobicContact CD1-CD1 3.94Å; L479-I483 HydrophobicContact CD1-CG1 3.92Å; L479-I483 HydrophobicContact CD2-CD1 4Å; L479-I483 HydrophobicContact CD2-CG1 4.46Å; L479-I483 HydrophobicContact CG-CD1 3.73Å; L479-I483 HydrophobicContact CG-CG1 3.69Å; L479-I483 PolarHBondContact O-N 3.35Å; G480-I483 CarbonylContact C-O 3.48Å; G480-I483 WeakPolarHBondContact CA-O 3.27Å
484R92.3Very high88.7Confident49 Ų4945 Ų4519%0.18521%0.214CC..  trans-143.8158.7169.1-66-172.6-164.6148.53.6109.9T150 N154 G174 T175 Q335 Q339 G480T150-R484 HydrophobicContact CG2-CB 3.85Å; N154-R484 PolarHBondContact OD1-NH1 3.22Å; N154-R484 PolarHBondContact OD1-NH2 3.47Å; G174-R484 CarbonylContact O-C 3.6Å; G174-R484 WeakPolarHBondContact O-CA 3.42Å; G174-R484 WeakPolarHBondContact O-CB 3.46Å; T175-R484 HydrophobicContact CG2-CG 4.28Å; Q335-R484 PolarHBondContact NE2-O 3.35Å; Q339-R484 PolarHBondContact OE1-O 3.34Å; G480-R484 PolarHBondContact O-NE 3.15Å; G480-R484 VanDerWaalsContact O-NE 3.09Å
485V92Very high90.4Very high1 Ų141.6 Ų41.61%0.00619%0.193CC..  trans-104.8145.4167.4172.20000107.6G174 P176 W177 Y199 I200 V489G174-V485 VanDerWaalsContact CA-O 3.24Å; G174-V485 WeakPolarHBondContact CA-O 3.43Å; G174-V485 PolarHBondContact O-N 3.07Å; P176-V485 HydrophobicContact CG-CB 4.39Å; W177-V485 HydrophobicContact CZ3-CB 4.41Å; W177-V485 HydrophobicContact CZ3-CG2 3.97Å; Y199-V485 HydrophobicContact CE1-CG1 4.38Å; Y199-V485 HydrophobicContact CE1-CG2 4.06Å; I200-V485 HydrophobicContact CD1-CG2 3.99Å; V485-V489 HydrophobicContact CG1-CB 4Å; V485-V489 HydrophobicContact CG1-CG1 3.94Å
486T91.5Very high91.9Very high13 Ų1336 Ų368%0.0816%0.164CC..  trans-89.9150.5178.251.70000110.1K147 T150 F153 E488 V489 D490K147-T486 WeakPolarHBondContact O-CB 3.46Å; K147-T486 WeakPolarHBondContact O-CG2 3.39Å; K147-T486 PolarHBondContact O-OG1 2.84Å; T150-T486 HydrophobicContact CG2-CG2 4.42Å; F153-T486 HydrophobicContact CE2-CG2 4.15Å; T486-E488 PolarHBondContact O-N 2.78Å; T486-V489 PolarHBondContact O-N 3.25Å; T486-V489 VanDerWaalsContact OG1-CG2 3.28Å; T486-V489 WeakPolarHBondContact OG1-CG2 3.37Å; T486-D490 PolarHBondContact O-N 3.4Å
487Q90.6Very high92.6Very high94 Ų9436.3 Ų36.344%0.43916%0.161SC..Hα-helixtrans-55.4-39.9-179.9-174.6176.7-2300111.9Y172 V489 D490 E491Y172-Q487 HydrophobicContact CD1-CB 3.76Å; Y172-Q487 HydrophobicContact CD1-CG 4.45Å; Y172-Q487 HydrophobicContact CD2-CB 4.44Å; Y172-Q487 HydrophobicContact CD2-CG 4.33Å; Y172-Q487 HydrophobicContact CE1-CB 3.89Å; Y172-Q487 VanDerWaalsContact CE1-N 3.34Å; Y172-Q487 HydrophobicContact CG-CB 4.05Å; Y172-Q487 HydrophobicContact CG-CG 4.25Å; Q487-V489 VanDerWaalsContact C-N 3.27Å; Q487-V489 PolarHBondContact O-N 2.83Å; Q487-D490 PolarHBondContact O-N 3.15Å; Q487-E491 HydrophobicContact CG-CG 4.16Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.48Å; Q487-E491 PolarHBondContact NE2-OE1 2.88Å; Q487-E491 WeakPolarHBondContact O-CB 3.4Å; Q487-E491 WeakPolarHBondContact O-CG 3.49Å; Q487-E491 PolarHBondContact O-N 3.05Å
488E90.9Very high92.9Very high89 Ų8943.3 Ų43.342%0.41619%0.191SC..Hα-helixtrans-56.8-36.4175.6-175.1-177.6-171.300113.3K147 T486 Y492K147-E488 HydrophobicContact CD-CG 4.18Å; K147-E488 VanDerWaalsContact CD-OE1 3.3Å; K147-E488 WeakPolarHBondContact CD-OE1 3.47Å; K147-E488 VanDerWaalsContact CE-OE1 3.25Å; K147-E488 WeakPolarHBondContact CE-OE1 3.48Å; K147-E488 WeakPolarHBondContact CG-OE1 3.48Å; K147-E488 IonicContact NZ-OE1 3.77Å; K147-E488 PolarHBondContact NZ-OE1 2.71Å; T486-E488 PolarHBondContact O-N 2.78Å; E488-Y492 WeakPolarHBondContact O-CB 3.49Å; E488-Y492 PolarHBondContact O-N 3.3Å
489V92.4Very high93Very high4 Ų445.5 Ų45.52%0.02420%0.203CC..Hα-helixtrans-77.7-31.5-179.4171.80000111.8K147 P243 T244 V485 T486 Q487 R493K147-V489 HydrophobicContact CB-CG2 4Å; P243-V489 HydrophobicContact CB-CG1 4.1Å; P243-V489 HydrophobicContact CG-CG1 3.79Å; T244-V489 HydrophobicContact CG2-CB 4.45Å; T244-V489 HydrophobicContact CG2-CG1 4.09Å; T244-V489 HydrophobicContact CG2-CG2 3.52Å; V485-V489 HydrophobicContact CG1-CB 4Å; V485-V489 HydrophobicContact CG1-CG1 3.94Å; T486-V489 PolarHBondContact O-N 3.25Å; T486-V489 VanDerWaalsContact OG1-CG2 3.28Å; T486-V489 WeakPolarHBondContact OG1-CG2 3.37Å; Q487-V489 VanDerWaalsContact C-N 3.27Å; Q487-V489 PolarHBondContact O-N 2.83Å; V489-R493 WeakPolarHBondContact O-CG 3.42Å; V489-R493 PolarHBondContact O-N 3.48Å; V489-R493 VanDerWaalsContact O-N 3.13Å
490D92.9Very high92.9Very high27 Ų2746.1 Ų46.114%0.14421%0.205CC..Hα-helixtrans-74.4-47.5176.5-156.8-2.5000110.9Y172 P176 Y199 T486 Q487 Y492 R493 E494Y172-D490 HydrophobicContact CE2-CB 4.36Å; Y172-D490 WeakPolarHBondContact CE2-OD2 3.46Å; Y172-D490 WeakPolarHBondContact OH-CB 3.01Å; Y172-D490 PolarHBondContact OH-OD2 3.08Å; P176-D490 WeakPolarHBondContact CB-OD2 3.31Å; P176-D490 WeakPolarHBondContact CG-OD2 3.11Å; Y199-D490 PolarHBondContact OH-OD1 2.91Å; Y199-D490 VanDerWaalsContact OH-OD1 3.13Å; T486-D490 PolarHBondContact O-N 3.4Å; Q487-D490 PolarHBondContact O-N 3.15Å; D490-Y492 VanDerWaalsContact C-N 3.26Å; D490-Y492 PolarHBondContact O-N 2.73Å; D490-R493 PolarHBondContact O-N 3.16Å; D490-R493 VanDerWaalsContact O-N 3.09Å; D490-E494 PolarHBondContact O-N 2.87Å
491E93.8Very high92.5Very high113 Ų11348.5 Ų48.553%0.52822%0.217SC..Hα-helixtrans-57-38.5171.3-72.5175.5171.200111.9Q487 E494 W495Q487-E491 HydrophobicContact CG-CG 4.16Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.48Å; Q487-E491 PolarHBondContact NE2-OE1 2.88Å; Q487-E491 WeakPolarHBondContact O-CB 3.4Å; Q487-E491 WeakPolarHBondContact O-CG 3.49Å; Q487-E491 PolarHBondContact O-N 3.05Å; E491-E494 PolarHBondContact O-N 2.95Å; E491-W495 WeakPolarHBondContact O-CB 3.12Å; E491-W495 PolarHBondContact O-N 3.44Å
492Y93.9Very high91.2Very high29 Ų2949.5 Ų49.511%0.11423%0.231CC..Hα-helixtrans-65.7-42174.1179.4-110.4000112.7T296 V298 E488 D490 E494 W495 I496T296-Y492 VanDerWaalsContact O-CE2 3.32Å; T296-Y492 WeakPolarHBondContact O-CE2 3.04Å; T296-Y492 PolarHBondContact O-OH 3.36Å; V298-Y492 WeakPolarHBondContact CG2-OH 3.47Å; E488-Y492 WeakPolarHBondContact O-CB 3.49Å; E488-Y492 PolarHBondContact O-N 3.3Å; D490-Y492 VanDerWaalsContact C-N 3.26Å; D490-Y492 PolarHBondContact O-N 2.73Å; Y492-E494 VanDerWaalsContact C-N 3.35Å; Y492-E494 PolarHBondContact O-N 3.36Å; Y492-W495 HydrophobicContact CD2-CE3 4.22Å; Y492-W495 HydrophobicContact CE2-CE3 4.18Å; Y492-W495 HydrophobicContact CE2-CZ3 4.2Å; Y492-W495 PolarHBondContact O-N 3.49Å; Y492-I496 HydrophobicContact CD1-CD1 3.99Å; Y492-I496 HydrophobicContact CE1-CD1 3.58Å; Y492-I496 HydrophobicContact CE1-CG1 4.46Å; Y492-I496 HydrophobicContact CE2-CD1 4.41Å; Y492-I496 HydrophobicContact CE2-CG1 4.49Å; Y492-I496 WeakPolarHBondContact O-CG1 3.19Å; Y492-I496 PolarHBondContact O-N 3.49Å
493R94.4Very high89.4Confident1 Ų153.6 Ų53.60%0.00425%0.25CS..Hα-helixtrans-62.5-40.5175-74.3173.37968.2-6.5112Y199 S201 E206 P243 V489 D490 R497Y199-R493 PolarHBondContact O-NE 3.48Å; Y199-R493 PolarHBondContact O-NH2 3.36Å; S201-R493 PolarHBondContact O-NH2 3.13Å; E206-R493 IonicContact OE1-CZ 2.7Å; E206-R493 IonicContact OE1-NH1 3.03Å; E206-R493 PolarHBondContact OE1-NH1 2.89Å; E206-R493 IonicContact OE2-CZ 2.95Å; E206-R493 IonicContact OE2-NH1 2.72Å; E206-R493 PolarHBondContact OE2-NH1 3.29Å; E206-R493 IonicContact OE2-NH2 3.29Å; P243-R493 HydrophobicContact CB-CG 3.93Å; V489-R493 WeakPolarHBondContact O-CG 3.42Å; V489-R493 PolarHBondContact O-N 3.48Å; V489-R493 VanDerWaalsContact O-N 3.13Å; D490-R493 PolarHBondContact O-N 3.16Å; D490-R493 VanDerWaalsContact O-N 3.09Å; R493-R497 PolarHBondContact O-N 3.22Å
494E94.3Very high87.4Confident66 Ų6656.3 Ų56.331%0.30827%0.27SS..Hα-helixtrans-73.7-30.6176-70.9-56.4112.200113.2R203 D490 E491 Y492 R497 K498R203-E494 IonicContact CZ-OE1 3.83Å; R203-E494 IonicContact NH1-OE1 3.3Å; R203-E494 PolarHBondContact NH1-OE1 2.87Å; R203-E494 IonicContact NH2-OE1 3.52Å; R203-E494 PolarHBondContact NH2-OE1 3.08Å; D490-E494 PolarHBondContact O-N 2.87Å; E491-E494 PolarHBondContact O-N 2.95Å; Y492-E494 VanDerWaalsContact C-N 3.35Å; Y492-E494 PolarHBondContact O-N 3.36Å; E494-R497 IonicContact OE1-NE 3.44Å; E494-R497 PolarHBondContact OE1-NE 3.43Å; E494-R497 IonicContact OE2-CZ 2.83Å; E494-R497 IonicContact OE2-NE 3.15Å; E494-R497 PolarHBondContact OE2-NE 3.15Å; E494-R497 IonicContact OE2-NH2 3.48Å; E494-R497 PolarHBondContact OE2-NH2 3.24Å; E494-K498 WeakPolarHBondContact O-CB 3.33Å; E494-K498 PolarHBondContact O-N 2.96Å
495W94.4Very high85.2Confident98 Ų9859.2 Ų59.237%0.37129%0.285SS..Hα-helixtrans-64.4-45.8169.2175.491.6000111.8E491 Y492 K498 N499 W500E491-W495 WeakPolarHBondContact O-CB 3.12Å; E491-W495 PolarHBondContact O-N 3.44Å; Y492-W495 HydrophobicContact CD2-CE3 4.22Å; Y492-W495 HydrophobicContact CE2-CE3 4.18Å; Y492-W495 HydrophobicContact CE2-CZ3 4.2Å; Y492-W495 PolarHBondContact O-N 3.49Å; W495-K498 PolarHBondContact O-N 3.26Å; W495-N499 VanDerWaalsContact CE2-ND2 3.27Å; W495-N499 PolarHBondContact NE1-ND2 2.88Å; W495-N499 PolarHBondContact O-N 3.16Å; W495-N499 PolarHBondContact O-ND2 3.14Å; W495-W500 HydrophobicContact CH2-CH2 4.28Å; W495-W500 AromaticContact CH2-CZ3 3.93Å; W495-W500 HydrophobicContact CH2-CZ3 3.93Å; W495-W500 AromaticContact CZ3-CZ3 3.94Å; W495-W500 HydrophobicContact CZ3-CZ3 3.94Å
496I94.4Very high82.9Confident1 Ų164 Ų641%0.00531%0.311CS..Hα-helixtrans-58.4-52.1174.5-64.7166.7000109.4E205 E206 M209 Y492 K498 N499 W500E205-I496 HydrophobicContact CB-CG2 4.15Å; E206-I496 HydrophobicContact CB-CG2 4.48Å; E206-I496 HydrophobicContact CG-CB 4.48Å; E206-I496 HydrophobicContact CG-CD1 3.95Å; E206-I496 HydrophobicContact CG-CG2 3.98Å; M209-I496 HydrophobicContact CB-CG2 4.19Å; M209-I496 HydrophobicContact CE-CD1 3.46Å; M209-I496 VanDerWaalsContact CE-CD1 3.46Å; M209-I496 HydrophobicContact CE-CG1 3.93Å; M209-I496 HydrophobicContact CE-CG2 4.5Å; Y492-I496 HydrophobicContact CD1-CD1 3.99Å; Y492-I496 HydrophobicContact CE1-CD1 3.58Å; Y492-I496 HydrophobicContact CE1-CG1 4.46Å; Y492-I496 HydrophobicContact CE2-CD1 4.41Å; Y492-I496 HydrophobicContact CE2-CG1 4.49Å; Y492-I496 WeakPolarHBondContact O-CG1 3.19Å; Y492-I496 PolarHBondContact O-N 3.49Å; I496-K498 PolarHBondContact O-N 3.42Å; I496-N499 PolarHBondContact O-N 3.44Å; I496-W500 HydrophobicContact CG2-CE3 4.1Å; I496-W500 PolarHBondContact O-N 3.4Å
497R93.9Very high80.7Confident92 Ų9268.8 Ų68.835%0.34734%0.336SS..Hα-helixtrans-53.3-55-179.4-168.5-175.262.373-0.9110.6E205 R493 E494 N499 W500 D501E205-R497 HydrophobicContact CG-CG 4.41Å; R493-R497 PolarHBondContact O-N 3.22Å; E494-R497 IonicContact OE1-NE 3.44Å; E494-R497 PolarHBondContact OE1-NE 3.43Å; E494-R497 IonicContact OE2-CZ 2.83Å; E494-R497 IonicContact OE2-NE 3.15Å; E494-R497 PolarHBondContact OE2-NE 3.15Å; E494-R497 IonicContact OE2-NH2 3.48Å; E494-R497 PolarHBondContact OE2-NH2 3.24Å; R497-N499 PolarHBondContact O-N 2.95Å; R497-N499 VanDerWaalsContact O-N 3.12Å; R497-W500 PolarHBondContact O-N 2.85Å; R497-D501 HydrophobicContact CG-CB 4.23Å; R497-D501 IonicContact NH1-OD2 2.76Å; R497-D501 PolarHBondContact NH1-OD2 3.43Å; R497-D501 VanDerWaalsContact NH1-OD2 3.15Å; R497-D501 WeakPolarHBondContact O-CB 3.39Å; R497-D501 PolarHBondContact O-N 2.76Å
498K94Very high78.5Confident151 Ų15173.6 Ų73.666%0.65735%0.35SS*.Hα-helixtrans-52.2-39.5-178.8-176.6178.1178.3-178.70113.9E494 W495 I496 S502E494-K498 WeakPolarHBondContact O-CB 3.33Å; E494-K498 PolarHBondContact O-N 2.96Å; W495-K498 PolarHBondContact O-N 3.26Å; I496-K498 PolarHBondContact O-N 3.42Å; K498-S502 PolarHBondContact O-OG 3.31Å
499N92.9Very high75.9Confident70 Ų7073 Ų7337%0.37436%0.356SS..Hα-helixtrans-82-38-176.8-69.9-62.2000113.2W495 I496 R497W495-N499 VanDerWaalsContact CE2-ND2 3.27Å; W495-N499 PolarHBondContact NE1-ND2 2.88Å; W495-N499 PolarHBondContact O-N 3.16Å; W495-N499 PolarHBondContact O-ND2 3.14Å; I496-N499 PolarHBondContact O-N 3.44Å; R497-N499 PolarHBondContact O-N 2.95Å; R497-N499 VanDerWaalsContact O-N 3.12Å
500W92.5Very high73.4Confident12 Ų1279.8 Ų79.85%0.04539%0.391CS..Hα-helixtrans-97.7-27.6-173.3-84.9-88.6000115.3E205 M209 E212 F295 T296 W495 I496 R497 S502 Q503E205-W500 HydrophobicContact CB-CB 3.89Å; E205-W500 HydrophobicContact CG-CB 4.43Å; M209-W500 HydrophobicContact CB-CD2 3.77Å; M209-W500 HydrophobicContact CB-CE3 4.06Å; M209-W500 HydrophobicContact CB-CG 4.24Å; M209-W500 HydrophobicContact CB-CH2 4.36Å; M209-W500 HydrophobicContact CB-CZ2 4.06Å; M209-W500 HydrophobicContact CB-CZ3 4.35Å; M209-W500 HydrophobicContact CG-CD2 4.08Å; M209-W500 HydrophobicContact CG-CE3 3.98Å; M209-W500 HydrophobicContact CG-CH2 3.6Å; M209-W500 HydrophobicContact CG-CZ2 3.66Å; M209-W500 HydrophobicContact CG-CZ3 3.76Å; E212-W500 PolarHBondContact OE1-NE1 3.29Å; E212-W500 PolarHBondContact OE2-NE1 2.8Å; F295-W500 HydrophobicContact CD1-CH2 4.3Å; F295-W500 AromaticContact CE1-CH2 3.72Å; F295-W500 HydrophobicContact CE1-CH2 3.72Å; F295-W500 HydrophobicContact CE1-CZ2 4.05Å; T296-W500 HydrophobicContact CG2-CH2 4.06Å; W495-W500 HydrophobicContact CH2-CH2 4.28Å; W495-W500 AromaticContact CH2-CZ3 3.93Å; W495-W500 HydrophobicContact CH2-CZ3 3.93Å; W495-W500 AromaticContact CZ3-CZ3 3.94Å; W495-W500 HydrophobicContact CZ3-CZ3 3.94Å; I496-W500 HydrophobicContact CG2-CE3 4.1Å; I496-W500 PolarHBondContact O-N 3.4Å; R497-W500 PolarHBondContact O-N 2.85Å; W500-S502 PolarHBondContact O-N 3.1Å; W500-Q503 PolarHBondContact O-N 3.44Å
501D84.8Confident70.7Confident56 Ų5685.4 Ų85.430%0.29942%0.421SS..Hα-helixtrans-53.5-52171.9-179.7-4.4000110.7E205 R497 Q503 S504E205-D501 HydrophobicContact CG-CB 4.27Å; R497-D501 HydrophobicContact CG-CB 4.23Å; R497-D501 IonicContact NH1-OD2 2.76Å; R497-D501 PolarHBondContact NH1-OD2 3.43Å; R497-D501 VanDerWaalsContact NH1-OD2 3.15Å; R497-D501 WeakPolarHBondContact O-CB 3.39Å; R497-D501 PolarHBondContact O-N 2.76Å; D501-Q503 VanDerWaalsContact C-N 3.27Å; D501-Q503 PolarHBondContact O-N 2.76Å; D501-Q503 VanDerWaalsContact O-N 3.12Å; D501-S504 WeakPolarHBondContact O-CB 3.34Å; D501-S504 PolarHBondContact O-N 3.19Å; D501-S504 VanDerWaalsContact O-N 3.08Å; D501-S504 PolarHBondContact O-OG 3.08Å
502S62.1Low67.8Low71 Ų7190.2 Ų90.250%0.49744%0.435SS..Hα-helixtrans-58.4-28.8-175.4-560000115K498 W500K498-S502 PolarHBondContact O-OG 3.31Å; W500-S502 PolarHBondContact O-N 3.1Å
503Q55.9Low65Low87 Ų8796.1 Ų96.141%0.40747%0.468SS..Hα-helixtrans-72.7-30179.9-71.6-175.3-400112.4W500 D501 Q505 N506 D507W500-Q503 PolarHBondContact O-N 3.44Å; D501-Q503 VanDerWaalsContact C-N 3.27Å; D501-Q503 PolarHBondContact O-N 2.76Å; D501-Q503 VanDerWaalsContact O-N 3.12Å; Q503-Q505 PolarHBondContact O-N 2.86Å; Q503-Q505 VanDerWaalsContact O-N 3.15Å; Q503-N506 PolarHBondContact O-N 3.46Å; Q503-D507 PolarHBondContact O-N 2.94Å
504S50.7Low62.1Low59 Ų59103.4 Ų103.441%0.41351%0.507SS..Hα-helixtrans-59.8-27.8-179.571.80000113.7D501D501-S504 WeakPolarHBondContact O-CB 3.34Å; D501-S504 PolarHBondContact O-N 3.19Å; D501-S504 VanDerWaalsContact O-N 3.08Å; D501-S504 PolarHBondContact O-OG 3.08Å
505Q46.1Very low59.2Low109 Ų109107.3 Ų107.351%0.50954%0.535SS..Hα-helixtrans-82.4-26.2178.1-62.3-66.2-12.600112.7Q503 R508 S509Q503-Q505 PolarHBondContact O-N 2.86Å; Q503-Q505 VanDerWaalsContact O-N 3.15Å; Q505-R508 PolarHBondContact O-N 2.98Å; Q505-S509 PolarHBondContact O-N 3.33Å
506N43.6Very low56.2Low103 Ų103112 Ų11255%0.55156%0.558SS**Hα-helixtrans-77.9-35179.6-77-23.2000112.4Q503 R508 S509 L510Q503-N506 PolarHBondContact O-N 3.46Å; N506-R508 PolarHBondContact O-N 3.06Å; N506-S509 PolarHBondContact O-N 2.95Å; N506-S509 PolarHBondContact O-OG 3.35Å; N506-S509 VanDerWaalsContact O-OG 3.07Å; N506-L510 PolarHBondContact O-N 2.86Å
507D47Very low53.3Low113 Ų113119.8 Ų119.860%0.60460%0.599SS**Hα-helixtrans-66.5-24.6169.1-70.2-42.5000112.3Q503Q503-D507 PolarHBondContact O-N 2.94Å
508R42.9Very low50.2Low194 Ų194123.6 Ų123.673%0.73263%0.625SS**Hα-helixtrans-80-29171.3-84.6-174.3164.3-166.8-2.3114.2Q505 N506Q505-R508 PolarHBondContact O-N 2.98Å; N506-R508 PolarHBondContact O-N 3.06Å
509S37.2Very low47Very low77 Ų77123.5 Ų123.554%0.53863%0.627SS.*Hα-helixtrans-79.8-24.4-174.568.80000113.5Q505 N506Q505-S509 PolarHBondContact O-N 3.33Å; N506-S509 PolarHBondContact O-N 2.95Å; N506-S509 PolarHBondContact O-OG 3.35Å; N506-S509 VanDerWaalsContact O-OG 3.07Å
510L39Very low44.1Very low146 Ų146125.9 Ų125.976%0.76465%0.65SS**THydrogen-bonded Turntrans-81.6-20.8177.6-68.2174.3000114.5N506N506-L510 PolarHBondContact O-N 2.86Å
511N36.3Very low41Very low146 Ų146133.4 Ų133.478%0.78168%0.682SS**THydrogen-bonded Turntrans-10235.6-177.8-80.9-48.8000113.8
512R34.3Very low38.7Very low214 Ų214138.3 Ų138.381%0.80870%0.704SS**  trans-110.574.2175.3-167.3-176.3179.3171.91.3112.3
513N33.9Very low37.1Very low153 Ų153143.3 Ų143.382%0.81872%0.724SS**SBendtrans-163.5122.3145.5-88.2-31.9000109.8
514D34.2Very low35.9Very low154 Ų154144.9 Ų144.982%0.82474%0.735SS**  trans40.8110.6166.1-60.4-32.4000121.2
515V32.7Very low35Very low148 Ų148151 Ų15190%0.89776%0.757SS**  -165.7164.198.3146.20000110
516K32.6Very low34.2Very low195 Ų195151.9 Ų151.985%0.84877%0.774SS**  trans-74.9135.9-165.1-65.1173.6180173.10115.3
517L33.8Very low33.6Very low165 Ų165154.2 Ų154.286%0.86479%0.786SS**  trans4.8113.7139.8-172.978.7000117.2
518L28.4Very low33Very low172 Ų172155.3 Ų155.390%0.90179%0.792SS**  trans-141.1153.2143.7-145.380.2000111.3
519E26.6Very low32.4Very low149 Ų149153.6 Ų153.670%0.69680%0.797SS**  trans-55.1138.6-170.6-174.2175.6-111.300115.8K521E519-K521 VanDerWaalsContact OE2-CE 3.25Å; E519-K521 WeakPolarHBondContact OE2-CE 3.25Å; E519-K521 IonicContact OE2-NZ 2.69Å; E519-K521 PolarHBondContact OE2-NZ 2.57Å
520S32Very low32Very low121 Ų121159.4 Ų159.485%0.84681%0.813SS**  trans-73.2128.3173.7-50.10000111.7
521K27.3Very low32.1Very low169 Ų169157.7 Ų157.774%0.73581%0.811SS**  trans-133.8159.6165.8-74.1-172.4179.8167.20111.4E519E519-K521 VanDerWaalsContact OE2-CE 3.25Å; E519-K521 WeakPolarHBondContact OE2-CE 3.25Å; E519-K521 IonicContact OE2-NZ 2.69Å; E519-K521 PolarHBondContact OE2-NZ 2.57Å
522Q35.7Very low31.8Very low159 Ų159158.3 Ų158.374%0.74381%0.814SS**  trans-57.1150.7-176.6-65.4151-107.200112.6D524Q522-D524 PolarHBondContact NE2-OD1 3.49Å
523L29Very low31.6Very low177 Ų177155 Ų15593%0.92781%0.813SS**  trans-131132151.4-79.2173.5000107.2
524D30.4Very low31.6Very low119 Ų119155.7 Ų155.764%0.63681%0.811SS**  trans-104.4-174.2-155-55.1-72.3000113.9Q522Q522-D524 PolarHBondContact NE2-OD1 3.49Å
525E32.7Very low31.5Very low189 Ų189154.4 Ų154.488%0.88380%0.804SS**  trans-60.7129.7178.7-59.7173.5102.500112.9N527E525-N527 PolarHBondContact O-N 2.74Å
526C28.1Very low31.4Very low127 Ų127153 Ų15386%0.85880%0.796SS**  trans-74.886.5170.7-63.80000110.9
527N31.5Very low31.4Very low151 Ų151149.7 Ų149.781%0.80779%0.792SS**  trans-71144.9174-166.915000111.8E525E525-N527 PolarHBondContact O-N 2.74Å
528N34.4Very low31.2Very low136 Ų136148.3 Ų148.373%0.72779%0.79SS**  trans-101.2126.6170.3-76.4-83.9000109.5
529N30.2Very low31Very low158 Ų158147.8 Ų147.885%0.84579%0.787SS**  trans-171.5161.5138.7-96.2-30.3000111.7
530F29.3Very low31.7Very low199 Ų199145.8 Ų145.887%0.87379%0.787SS**  trans-84.9156.9175.6-73-99.7000111.1
531P41.6Very low31.6Very low111 Ų111145.8 Ų145.872%0.72179%0.787SS**  trans-86.6159.1178.636.3-35.7000112.8
532D28.6Very low31.6Very low158 Ų158142.1 Ų142.185%0.84579%0.788SS**  trans-154.1106.5146.1-88.4-35.3000108.4
533D31.6Very low32.1Very low146 Ų146139 Ų13978%0.78178%0.782SS**  trans59.5130.9137-72.46.4000126.5
534E33.4Very low32.1Very low166 Ų166138.8 Ų138.878%0.77678%0.776SS**  trans89.3128.4143.6-61.8-78.575.700124.6
535D31.7Very low32.2Very low127 Ų127138.7 Ų138.768%0.67978%0.784SS**  trans71100.9147.9-88.1-6.4000126.2
536V31.5Very low32.1Very low120 Ų120139.6 Ų139.673%0.72779%0.785SS**  55.4121.9103.1171.10000117.7
537V31Very low32.3Very low124 Ų124139.6 Ų139.675%0.75279%0.787SS**  -158.3128.270.9172.30000114.1
538V30Very low32.3Very low137 Ų137137.2 Ų137.283%0.8378%0.782SS**  trans35.5131.9138.2-169.20000123.8
539L25.1Very low32.2Very low160 Ų160135 Ų13584%0.83878%0.777SS**  trans-72.2-160.9168.9-76.9164.2000113.7
540P41.9Very low32.3Very low107 Ų107134.5 Ų134.570%0.69578%0.775SS**  cis-140.1-178.6-3.143.6-24.7000118.4
541S29Very low32.3Very low121 Ų121131.1 Ų131.185%0.84677%0.77SS**  trans92.8140.2143.1-70.70000122.3
542A26.7Very low31.8Very low92 Ų92131.3 Ų131.376%0.7677%0.774SS**  trans-112-146.2177.200000108.7
543P46.3Very low32.2Very low95 Ų95129.1 Ų129.162%0.61777%0.771SS**  cis-138.9-151.51.439.6-16000114.5
544H30.3Very low32.9Very low172 Ų172127.9 Ų127.980%0.79677%0.771SS**  trans87.1144.6172.1-49.2-59.6000116.6
545S32.3Very low32.9Very low116 Ų116126.9 Ų126.981%0.81177%0.771SS**  cis-160.2175.1-11.846.70000112.2
546K30.7Very low33.4Very low208 Ų208127 Ų12790%0.90478%0.778SS**  trans-79.3148.1-174.2-47.7167.2-177.2175.70113.6
547S30.6Very low33.4Very low128 Ų128125.7 Ų125.790%0.89577%0.774SS**  -172.6-163126.164.70000110.8
548S31.4Very low33.6Very low100 Ų100128.1 Ų128.170%0.69978%0.782SS**  trans-141.7170.9-15062.20000116.8
549S33.8Very low33.5Very low90 Ų90124.8 Ų124.863%0.62978%0.776SS**  trans73.4110.7144.851.70000121.6
550N31Very low33.8Very low148 Ų148123.1 Ų123.179%0.79178%0.777SS**  90.1147.1124.5-66.21.1000123.3
551T29.7Very low33.6Very low128 Ų128123.6 Ų123.679%0.78578%0.783SS**  trans89.6124.5145.324.60000122.9
552S30.9Very low34.4Very low115 Ų115123.9 Ų123.980%0.80478%0.782SS**  trans73.8123.5146.343.80000122.8
553S36.2Very low34.6Very low112 Ų112124.7 Ų124.778%0.78378%0.782SS**  trans-66.7179.4158.7-8.70000112.5
554P46.5Very low33.8Very low119 Ų119125.7 Ų125.777%0.77379%0.791SS**  cis-141.9-163.331.542.9-21.3000117
555L34.3Very low34Very low146 Ų146123 Ų12376%0.76479%0.792SS**  trans-65166.8-179.2-73.774.6000114.7
556P41.5Very low34.9Very low129 Ų129122.8 Ų122.884%0.83879%0.788SS**  -119.6173.7118.636.9-34.9000113.5
557S32.7Very low34.8Very low92 Ų92120.7 Ų120.764%0.64379%0.785SS**  trans-151.5175.2-172.4590000113.8
558L33.7Very low35Very low176 Ų176119.8 Ų119.892%0.92178%0.779SS**  trans86.2147.4169-55.4168.9000118.8
559G28.7Very low35.7Very low67 Ų67120.6 Ų120.669%0.69178%0.782SS**  trans116.960.2175.100000115.1
560S32.4Very low35.5Very low125 Ų125121.1 Ų121.187%0.87479%0.786SS**  88.2131.282.8-64.90000115.1
561S36.4Very low35.5Very low116 Ų116118.9 Ų118.981%0.81178%0.782SS**  trans-82.1175.9-169.8-39.50000114.8
562P45.4Very low35.5Very low128 Ų128119.2 Ų119.283%0.83178%0.784SS**  -144.8174.290.639.5-23.3000117.2
563S31.1Very low35.6Very low108 Ų108118.7 Ų118.776%0.75578%0.78SS**  trans-63.8155.5-176.854.10000118.1
564S30.5Very low35.5Very low117 Ų117117.9 Ų117.982%0.81878%0.775SS**  -179.8156.3107.1510000114.7
565S33.2Very low35Very low116 Ų116117 Ų11781%0.81177%0.771SS**  trans-136.2175.4164.8-46.60000106.9
566P52.6Low35.2Very low111 Ų111117.4 Ų117.472%0.72177%0.774SS**  cis-129.1-165.2-5.838.7-19.6000112.4
567L28.4Very low34.8Very low163 Ų163114.3 Ų114.385%0.85377%0.766SS**  trans147.1152.9137-78.6167.8000114
568S35.3Very low35Very low109 Ų109117.8 Ų117.876%0.76278%0.777SS**  trans-121161.6160.2-48.50000107.8
569P44.4Very low35.3Very low117 Ų117114.4 Ų114.476%0.7677%0.768SS**  -159.2157.994.342.2-23.1000118.8
570S30.3Very low35.6Very low101 Ų101118.5 Ų118.571%0.70677%0.774SS**  trans56126.4135.5700000125.5
571S31.8Very low35.4Very low102 Ų102115.2 Ų115.271%0.71376%0.76SS**  107.4153.9120.375.80000123.1
572T29.8Very low35.3Very low134 Ų134115.5 Ų115.582%0.82276%0.757SS**  trans73.9141.5172.4670000118.2
573S32.5Very low35.2Very low105 Ų105115.6 Ų115.673%0.73476%0.757SS**  cis-164.9169.6-18.651.20000112.5
574S33.4Very low35Very low95 Ų95115.5 Ų115.566%0.66476%0.756SS**  trans-24.4168162.761.30000119.6
575S37.4Very low35.1Very low101 Ų101119.2 Ų119.271%0.70676%0.757SS**  cis-170.7175.221.935.70000111
576D37.3Very low34.9Very low154 Ų154119.6 Ų119.682%0.82476%0.755SS**  cis-177.9165.3-35.4-78-38.4000109
577G34.2Very low33.8Very low64 Ų64120.6 Ų120.666%0.6676%0.759SS**  trans119.8126.2168.400000115.8
578D35.6Very low33.9Very low165 Ų165121.5 Ų121.588%0.88276%0.756SS**  cis89.7145.942.5-71.6-20.1000113.6
579S40.4Very low33.5Very low104 Ų104125.6 Ų125.673%0.72776%0.763SS**  cis-159.1-173.6-25.1-1570000106.1
580D35.6Very low32.5Very low154 Ų154128.3 Ų128.382%0.82477%0.765SS**  cis-151.7-173.211.1-159.546.8000107
581G28.4Very low33.8Very low56 Ų56128.6 Ų128.658%0.57777%0.765SS**  cis-179.9-146.917.400000113.5
582T33.4Very low33.5Very low122 Ų122129.7 Ų129.775%0.74877%0.767SS**  trans-141167.2-175.1-19.30000113.5
583P43.3Very low33.3Very low129 Ų129133.8 Ų133.884%0.83877%0.767SS**  -149.4168.392.238.3-19.9000116.7
584C27.6Very low33Very low106 Ų106135.8 Ų135.872%0.71677%0.77SS**  trans-110.1158.2-175.7-39.30000113.6
585K33.3Very low32.7Very low195 Ų195135.4 Ų135.485%0.84877%0.773SS**  169.9121.8123.7-96.5166.4-176.8171.90118.9
586T29.1Very low32.2Very low124 Ų124135.7 Ų135.776%0.76178%0.775SS**  trans58.9130.9134.7530000126
587V28.9Very low31.8Very low133 Ų133134 Ų13481%0.80677%0.77SS**  trans104.9134.4130.5160.50000122
588K29.1Very low31.5Very low181 Ų181140.1 Ų140.179%0.78778%0.781SS**  trans-28143.5173.3-48.9172.7179.3-178.40118.5
589Q27.4Very low31.3Very low195 Ų195142.4 Ų142.491%0.91178%0.777SS**  -175.8174.699.6-100.6-177.46500114
590Q24.8Very low30.8Very low174 Ų174146.5 Ų146.581%0.81379%0.785SS**  trans-138.2161.7-179.9-164.8-164.738.400106.8
591P56.6Low30.6Very low108 Ų108148.2 Ų148.270%0.70179%0.785SS**  -112.1-147-54.836.8-22.1000111
592V24.9Very low30.6Very low125 Ų125151 Ų15176%0.75880%0.795SS**  trans11899.7155.9-176.20000117.8
593R27Very low30.4Very low220 Ų220150.9 Ų150.983%0.8380%0.795SS**  trans41.5132.1133.9-75-176.2174.4169.5-1.7124.4
594N25.2Very low29.7Very low146 Ų146150.9 Ų150.978%0.78179%0.792SS**  trans96.3157.6131.6-71.410.5000121.7
595A27.2Very low29.8Very low88 Ų88151.7 Ų151.773%0.72779%0.793SS**  trans72.8117.9179.300000115.1
596S27.5Very low29.7Very low107 Ų107147.3 Ų147.375%0.74879%0.787SS**  70.8137.155.585.10000112.5
597T27.8Very low29.9Very low119 Ų119147.2 Ų147.273%0.7378%0.783SS**  cis-155.6164.72247.60000111.2
598H29.2Very low30.2Very low191 Ų191148.8 Ų148.888%0.88478%0.78SS**  trans-152.8158.6132-119.4-87.3000111.6
599R31.7Very low30.4Very low214 Ų214150.4 Ų150.481%0.80878%0.782SS**  trans-152.1136.3-170.1173.3-172.9-179.4-172.14.9111.4
600E28.8Very low30.6Very low189 Ų189146.9 Ų146.988%0.88377%0.768SS**  trans-119.8-177.8162.5-63.9-151.7112.300111.8
601K31Very low31.1Very low190 Ų190145.8 Ų145.883%0.82676%0.763SS**  trans-131.1138.3-155.7-62.1173.6-178.8170.60114.6
602S28.8Very low29.9Very low114 Ų114146.4 Ų146.480%0.79776%0.76SS**  trans168.3157.1148.8-81.10000109.5
603T28.5Very low30.5Very low121 Ų121148.2 Ų148.274%0.74276%0.76SS**  cis-154.4143.7-15.111.90000111
604V30.1Very low30.7Very low129 Ų129141.6 Ų141.678%0.78275%0.748SS**  25.8128.6122.7173.60000117.9
605V30.1Very low31Very low122 Ų122140.7 Ų140.774%0.73975%0.748SS**  cis-170.9160-5.691.60000112.8
606S30.8Very low31.2Very low103 Ų103141.7 Ų141.772%0.7275%0.749SS**  trans64158.3158.9-76.50000121.6
607N33.1Very low31.4Very low123 Ų123143.1 Ų143.166%0.65875%0.753SS**  cis-169.1147.6-35-149.2-2.6000110.8
608H35.4Very low32.9Very low165 Ų165142.7 Ų142.776%0.76475%0.753SS**  trans63.7162.6160-80.2-29.7000119
609R32.3Very low33.9Very low215 Ų215140 Ų14081%0.81175%0.752SS**  cis-170.8163.5-8.6161.4-173.5167.7-142.7-1.3110.6
610I32.1Very low33.9Very low121 Ų121133.9 Ų133.962%0.62175%0.748SS**  trans113.3113162.2-58.6-164.9000117.5
611Q35.8Very low34Very low152 Ų152129.6 Ų129.671%0.7174%0.739SS**  29.1156.7128-46174.4-61.200121.2
612N31.1Very low34Very low120 Ų120126.7 Ų126.764%0.64273%0.732SS**  cis-160164.135.5-126.9-16000116.2
613H36.3Very low34.2Very low163 Ų163130.6 Ų130.676%0.75574%0.735SS**  trans-13.4166.2160.8-66.4-48.5000124.1
614S32.5Very low34.2Very low82 Ų82129 Ų12957%0.57374%0.742SS**  cis177.8165.1-24.361.90000113.9
615T32.1Very low34.1Very low127 Ų127126.1 Ų126.178%0.77974%0.739SS**  trans62.9157.2144.945.20000121.4
616S29.8Very low34.1Very low109 Ų109130.7 Ų130.776%0.76275%0.748SS**  cis-163-178.3-8.942.70000111.6
617T31.5Very low34.1Very low136 Ų136130 Ų13083%0.83475%0.749SS**  trans-106.9-141-165.8480000115.8
618P60Low33.9Very low110 Ų110134.9 Ų134.971%0.71476%0.758SS**  trans-105.4-168.2-13339.5-20.7000114.6
619P50Low33.6Very low135 Ų135135.1 Ų135.188%0.87776%0.762SS**  -154.8-161.1103.241.9-22.1000116.6
620A32.3Very low33.5Very low86 Ų86128.4 Ų128.471%0.71175%0.747SS**  trans-109.7162.1-155.600000118.8
621S30.4Very low33.3Very low99 Ų99133.7 Ų133.769%0.69276%0.76SS**  trans60.7127.1141.367.30000123.2
622N31.2Very low33.2Very low128 Ų128130.8 Ų130.868%0.68476%0.756SS**  -179.1144.7111.8-104.2-70.8000116.6
623K32.8Very low33.3Very low197 Ų197131.3 Ų131.386%0.85776%0.759SS**  trans42.3129.2143.3-68.7164.9-174.4174.30124.1
624G27.7Very low33.2Very low86 Ų86130.1 Ų130.189%0.88776%0.758SS**  trans106147.1142.900000116.5
625G28Very low33.3Very low70 Ų70135.1 Ų135.172%0.72277%0.77SS**  cis150.5127.8-13.400000114.2
626K31.8Very low33.1Very low217 Ų217134.2 Ų134.294%0.94377%0.768SS**  trans71154.9-179.8-55.8176.3-176.4176.80114.8
627A29.2Very low33.1Very low88 Ų88132.4 Ų132.473%0.72777%0.767SS**  cis-162.1137.9-23.800000113.5
628R29.9Very low33.2Very low226 Ų226134 Ų13485%0.85377%0.765SS**  trans23.8114132.7-174-166.3-166-179.36.7120.4
629M29.7Very low32Very low171 Ų171137 Ų13784%0.84277%0.768SS**  -155.4141.2120.6-70.4-154.578.200108.4
630S28.3Very low31.1Very low73 Ų73134.1 Ų134.151%0.5176%0.763SS.*  cis106.4105.53.581.70000117.6
631R29.8Very low31.2Very low232 Ų232137.9 Ų137.988%0.87577%0.766SS**  trans179.9118.3141.9-97.7174.5174.6174.1-1107.4
632S33.2Very low31.3Very low91 Ų91140.5 Ų140.564%0.63677%0.768SS**  71.6134.272.178.20000112.8
633N33Very low31.1Very low132 Ų132141.4 Ų141.471%0.70677%0.773SS**  cis-148.814639.2-112.7-17.8000111.4
634N34Very low31.1Very low137 Ų137136.8 Ų136.873%0.73377%0.765SS**  58.1137.993.7-88.4-45.2000114.9
635K33.7Very low31.1Very low188 Ų188138.4 Ų138.482%0.81776%0.763SS**  cis-152.7175.319.6-105.2167.4-179-179.40107.9
636S29.7Very low31.2Very low107 Ų107145.1 Ų145.175%0.74877%0.773SS**  cis-164.2147.4-8.638.80000107
637G29.9Very low30.9Very low71 Ų71140.9 Ų140.973%0.73277%0.77SS**  81127.796.400000112.9
638H33.6Very low30.9Very low170 Ų170141.8 Ų141.879%0.78777%0.771SS**  cis-145.6173.821.2-109.4-60.6000114.6
639H34.3Very low30.8Very low172 Ų172141 Ų14180%0.79677%0.774SS**  trans-17.9161.3162.7-54.1-35.5000119.4
640G30.8Very low30.8Very low75 Ų75137.4 Ų137.477%0.77377%0.766SS**  cis144.5167.212.800000108
641Q33.7Very low30.8Very low165 Ų165142.6 Ų142.677%0.77178%0.781SS**  cis-146.8159.68.8-114.9175.8-2300109
642Q33.1Very low30.8Very low154 Ų154139.8 Ų139.872%0.7278%0.778SS**  trans25.6145.7130.3-60.6168.8-400119.3
643N27.4Very low30.5Very low148 Ų148140.9 Ų140.979%0.79179%0.786SS**  cis-156.3169.543.4-147-10.6000114.9
644S31.4Very low30.3Very low100 Ų100142.4 Ų142.470%0.69979%0.794SS**  trans-109.1160-175.265.80000113.6
645S28.1Very low30.1Very low119 Ų119144.9 Ų144.983%0.83280%0.798SS**  trans-165.6146.414432.50000113.4
646F29.7Very low30.5Very low212 Ų212142.4 Ų142.493%0.9380%0.801SS**  trans-89.2157.1166.5-81.8-116.5000110.1
647S26.8Very low30.5Very low127 Ų127145.5 Ų145.589%0.88880%0.803SS**  -169.3167.7122.752.90000111.6
648S28.8Very low30.5Very low108 Ų108151 Ų15176%0.75581%0.81SS**  trans-124.7156.5-177.456.30000111.1
649K27.9Very low30.2Very low210 Ų210152 Ų15291%0.91382%0.815SS**  trans-169.1161141.7-109.1159.5-172.8178.40113.7
650S28.9Very low29.9Very low95 Ų95147.4 Ų147.466%0.66481%0.814SS**  trans-97.5167.8179.650.90000112
651H29.5Very low29.8Very low182 Ų182150.9 Ų150.984%0.84382%0.815SS**  -163.9170.5128.1-104-62.9000112.4
652Q29.1Very low29.6Very low173 Ų173147.3 Ų147.381%0.80881%0.809SS**  trans-107.7161.3-176.7-55.1149.5-54.400110.5
653S27.8Very low29.5Very low113 Ų113149.9 Ų149.979%0.7982%0.817SS**  trans-174.6129131.430.70000115.6
654N27.1Very low29.7Very low164 Ų164152.8 Ų152.888%0.87782%0.823SS**  trans31.9140.5140.7-60.9-10.1000125
655K31.5Very low29.8Very low190 Ų190160.1 Ų160.183%0.82684%0.835SS**  trans-69.1170.5159.6-55172.5175.8174.70111.9
656P41.3Very low30Very low135 Ų135163.2 Ų163.288%0.87783%0.834SS**  -142.6-170.893.738-22.1000115.8
657H29.8Very low30Very low172 Ų172159.4 Ų159.480%0.79682%0.823SS**  trans-90.6155.2-172.8-79.9-59000116.1
658Q29.5Very low30.2Very low188 Ų188160.2 Ų160.288%0.87982%0.816SS**  -156.2135.3128.2-98.2164.71600105.8
659Q28.1Very low30.4Very low190 Ų190166.2 Ų166.289%0.88882%0.822SS**  cis67.9122.637.8-82.2-165-7.200115.6
660G27.3Very low30.4Very low76 Ų76163.2 Ų163.278%0.78482%0.816SS**  trans13351.4-177.100000113.8
661N29.1Very low30.6Very low148 Ų148163.6 Ų163.679%0.79182%0.819SS**  71.8100.179.6-158.525.8000116.1
662S28.5Very low30.7Very low90 Ų90160.9 Ų160.963%0.62982%0.815SS**  trans55.3128.1146.671.60000122.2
663K32.7Very low30.8Very low208 Ų208160 Ų16090%0.90481%0.811SS**  -159.5128.5117-108.4157.3-172.51720112
664K31.8Very low31Very low208 Ų208162.3 Ų162.390%0.90481%0.809SS**  trans-84.7147167.7-67.8173.7178.1171.90109.3
665R32.2Very low31.4Very low254 Ų254161.5 Ų161.596%0.95881%0.805SS**  trans-141.1149.9139.9-124.9175.1-179.6174.1-1.2109
666K32.2Very low31.7Very low184 Ų184160.9 Ų160.980%0.881%0.81SS**  trans-151.4168.4-172.1-157.7-166.3178.6-167.90107.5
667N30.1Very low31.4Very low132 Ų132160 Ų16071%0.70681%0.805SS**  trans78.1153.6176.8-49.9-1.1000112.3
668I30.8Very low31.8Very low144 Ų144167.2 Ų167.274%0.73883%0.826SS**  cis-133.1174.213.6-138.1138.4000112.5D670I668-D670 WeakPolarHBondContact CG2-OD2 3.16Å
669R32.5Very low31.9Very low234 Ų234166.2 Ų166.288%0.88382%0.823SS**  trans-103.4141.9168.5-92.6179.4167.2179.9-6108.3
670D29.1Very low32.1Very low148 Ų148164.9 Ų164.979%0.79182%0.82SS**  trans-127.7177.4154-66.8-81.2000108.2I668I668-D670 WeakPolarHBondContact CG2-OD2 3.16Å
671S32.6Very low32.4Very low103 Ų103169.9 Ų169.972%0.7282%0.822SS**  trans-156.3163.6-162.847.50000112.9
672T32Very low32.6Very low124 Ų124171.2 Ų171.276%0.76182%0.823SS**  trans66.1157.7179.969.90000113.5
673Q30.6Very low32.8Very low155 Ų155176.3 Ų176.372%0.72484%0.836SS**  cis-150.2177.1-9.6-133.7148.1-93.500106
674E32.4Very low32.8Very low161 Ų161174.1 Ų174.175%0.75283%0.831SS**  cis-157.5176.411.5-163.8150-88.200109.1
675D36.3Very low32.9Very low147 Ų147171.7 Ų171.779%0.78683%0.826SS**  trans-76.3155.5170.5-77.4-64.8000113.4
676L37Very low33Very low177 Ų177165.4 Ų165.493%0.92782%0.816SS**  trans-164.5136148.2-113.6169.6000112.4
677C34.2Very low33Very low117 Ų117163.8 Ų163.879%0.79182%0.817SS**  trans-93.2148.4-174.5-47.90000113.9
678R38.6Very low33.3Very low324 Ų324166.7 Ų166.7100%1.22383%0.827SS**  trans-160.70133.7-115.4177.7-170.7-170.73.1112.4

Retrieved 678 of 678 residues in 99.5 ms (Link to these results)

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