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Fas-activated serine/threonine kinase

Phosphorylates the splicing regulator TIA1, thereby promoting the inclusion of FAS exon 6, which leads to an mRNA encoding a pro-apoptotic form of the receptor. Required for the biogenesis of some mitochondrial-encoded mRNAs, specifically stabilizes ND6 (NADH dehydrogenase complex subunit 6) mRNA, and regulates its levels.

AlphaFold DB , UniProt , Accession Q14296, Species HUMAN (Homo sapiens, Human), Gene FASTK, Length 549 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
1M37.6Very low37.9Very low237 Ų237173.7 Ų173.7100%1.16787%0.87SS**  0129.90-81-149.5-9000109.6
2R38.1Very low37.2Very low243 Ų243167.8 Ų167.892%0.91787%0.868SS**  trans59.9104161.7-65.4-176.4-179.9-175.10.4120.5
3R35.9Very low36.7Very low241 Ų241164.7 Ų164.791%0.90987%0.865SS**  -84.3-176.5129.7-92.7-169.5-177-171.72.2108.5
4P45.4Very low36.2Very low110 Ų110169.1 Ų169.171%0.71486%0.864SS**  cis-128.3-173.3-11.220.76.5000110.7
5R38Very low36Very low249 Ų249167.1 Ų167.194%0.9487%0.867SS**  172.8151.169.5-131.7-175.1-168-173.23.3109
6G41.3Very low35.5Very low76 Ų76164.2 Ų164.278%0.78486%0.859SS**  trans130.296.3150.800000116.5
7E36.3Very low35.1Very low184 Ų184166.2 Ų166.286%0.8686%0.863SS**  trans-77.9171.1160.7-67.3-162.3144.900111.7
8P39.5Very low34.7Very low129 Ų129161.4 Ų161.484%0.83886%0.861SS**  -148.7141.297.235-16.8000117
9G35.9Very low34.4Very low63 Ų63158.2 Ų158.265%0.64986%0.859SS**  79.9154.8126.800000121.3
10P34.5Very low34Very low132 Ų132157.4 Ų157.486%0.85786%0.859SS**  -117.2149.8-127.635.8-23.7000115.8
11R34.7Very low33.6Very low247 Ų247156.2 Ų156.293%0.93286%0.862SS**  trans-137.6131.8159.5-83-173.5-1751772.7110.2
12A29.6Very low33.1Very low103 Ų103149.8 Ų149.885%0.85185%0.846SS**  trans-64.7145.6-174.900000114.4
13P30.8Very low32.6Very low127 Ų127141.6 Ų141.683%0.82584%0.837SS**  trans-120.6158.215329.4-12.3000113.3
14R28.9Very low32.1Very low227 Ų227136.4 Ų136.486%0.85784%0.835SS**  trans-58.4155.9-173.2-62.2168.6174.8172.7-2.7114.1T16R14-T16 PolarHBondContact O-N 3.05Å; R14-T16 VanDerWaalsContact O-N 3.11Å
15P33.6Very low31.1Very low139 Ų139134.6 Ų134.690%0.90384%0.836SS**  trans-80.995172.832.6-28.9000110.3
16T28.7Very low30.4Very low120 Ų120130.4 Ų130.474%0.73683%0.827SS**  trans-92.2135.4151.5250000108.9R14R14-T16 PolarHBondContact O-N 3.05Å; R14-T16 VanDerWaalsContact O-N 3.11Å
17E27.2Very low29.6Very low198 Ų198132.7 Ų132.793%0.92583%0.831SS**  trans61.3108.7154.9-61.4-177.8157.400119.1
18G27.9Very low29.1Very low81 Ų81132.8 Ų132.884%0.83582%0.824SS**  trans-176.1131.1161.200000108.5
19A30.2Very low28.4Very low99 Ų99130.6 Ų130.682%0.81881%0.812SS**  cis-143.9125.119.300000111
20T25.1Very low28.1Very low142 Ų142128.7 Ų128.787%0.87179%0.788SS**  trans-67.4121.4156.4210000110.4
21C25.9Very low28Very low134 Ų134124.3 Ų124.391%0.90576%0.76SS**  trans-151.284.3153.3-89.10000108.4
22A28.4Very low27.8Very low102 Ų102116.9 Ų116.984%0.84374%0.744SS**  trans-139.895.7162.500000107.9
23G26Very low28.4Very low71 Ų71113.6 Ų113.673%0.73271%0.712SS**  trans-71.6157.916900000111.7
24P26Very low29.2Very low132 Ų132107.6 Ų107.686%0.85767%0.673SS**  trans-89149.1-167.735.6-32000112.3
25G24.3Very low30.1Very low72 Ų7297 Ų9774%0.74263%0.634SS**  trans87.4103.9159.700000115.2
26E24.1Very low30.6Very low160 Ų16090.7 Ų90.775%0.74859%0.592SS**  trans-175.5100.4140.2-107.4178.1-16000110.2W28E26-W28 VanDerWaalsContact CD-NE1 3.3Å; E26-W28 PolarHBondContact O-N 2.77Å; E26-W28 VanDerWaalsContact O-N 3.09Å; E26-W28 PolarHBondContact OE2-NE1 2.91Å
27S24.2Very low31.4Very low125 Ų12587.5 Ų87.587%0.87457%0.566SS**  trans-75.685177.153.70000110.8
28W26.5Very low32.2Very low185 Ų18579.8 Ų79.870%0.70153%0.533SS*.  trans-102.8105.5173.4-65.3101.5000111.5E26E26-W28 VanDerWaalsContact CD-NE1 3.3Å; E26-W28 PolarHBondContact O-N 2.77Å; E26-W28 VanDerWaalsContact O-N 3.09Å; E26-W28 PolarHBondContact OE2-NE1 2.91Å
29S24.5Very low32.9Very low83 Ų8376.7 Ų76.758%0.5850%0.497SS*.PPolyproline II helixtrans-83.3122.1168.746.10000111.1R37S29-R37 VanDerWaalsContact CB-NH2 3.32Å
30P29.9Very low33.3Very low24 Ų2474.4 Ų74.416%0.15647%0.471CS..PPolyproline II helixtrans-57.4156.2169.4-13.622.4000110.4R37 I353P30-R37 HydrophobicContact CB-CB 4.06Å; P30-R37 HydrophobicContact CB-CG 3.75Å; P30-R37 HydrophobicContact CG-CB 4.26Å; P30-R37 HydrophobicContact CG-CG 3.73Å; P30-R37 WeakPolarHBondContact O-CD 3.31Å; P30-R37 PolarHBondContact O-NE 2.89Å; P30-R37 PolarHBondContact O-NH1 3.27Å; P30-I353 HydrophobicContact CB-CD1 3.61Å; P30-I353 HydrophobicContact CG-CD1 3.87Å
31S32.3Very low33.9Very low39 Ų3970.1 Ų70.127%0.27345%0.447SS..PPolyproline II helixtrans-51.2144.6173.472.80000111N33 S34 R37S31-N33 PolarHBondContact O-N 2.8Å; S31-S34 WeakPolarHBondContact O-CB 3.09Å; S31-S34 PolarHBondContact O-N 3.23Å; S31-R37 WeakPolarHBondContact O-CD 3.4Å
32P29.8Very low34.5Very low92 Ų9265.7 Ų65.760%0.59742%0.42SS*.THydrogen-bonded Turntrans-54-16.3-174.83.1-10.7000114.9
33N42.5Very low34.5Very low34 Ų3468.2 Ų68.218%0.18241%0.414CS..THydrogen-bonded Turntrans-106.5-0.6-179-57.2-53.1000114.2S31 M35 Q245 K279S31-N33 PolarHBondContact O-N 2.8Å; N33-M35 PolarHBondContact O-N 3.49Å; N33-Q245 PolarHBondContact OD1-NE2 3.36Å; N33-K279 HydrophobicContact CB-CG 4.42Å; N33-K279 VanDerWaalsContact ND2-CE 3.35Å; N33-K279 WeakPolarHBondContact ND2-CE 3.5Å
34S46.7Very low34.7Very low0 Ų069.2 Ų69.20%041%0.406CS..  trans-59.8126.8173.4149.60000108.3S31 L36 R37 V38S31-S34 WeakPolarHBondContact O-CB 3.09Å; S31-S34 PolarHBondContact O-N 3.23Å; S34-L36 PolarHBondContact O-N 3.01Å; S34-L36 WeakPolarHBondContact OG-CB 3.46Å; S34-L36 PolarHBondContact OG-N 3.41Å; S34-R37 CarbonylContact O-C 3.53Å; S34-R37 VanDerWaalsContact O-CA 3.25Å; S34-R37 WeakPolarHBondContact O-CA 3.5Å; S34-R37 VanDerWaalsContact O-CB 3.25Å; S34-R37 WeakPolarHBondContact O-CB 3.4Å; S34-R37 PolarHBondContact O-N 3.39Å; S34-R37 PolarHBondContact OG-N 3.09Å; S34-R37 VanDerWaalsContact OG-N 3.07Å; S34-V38 PolarHBondContact O-N 3.45Å
35M48.6Very low34.9Very low6 Ų666.1 Ų66.13%0.0339%0.387CS..Hα-helixtrans-56.3-30.9174.8-154-178.1-5800111.7N33 V38 L39 L282 N317 M320 S321 Q324 Y357N33-M35 PolarHBondContact O-N 3.49Å; M35-V38 CarbonylContact O-C 3.51Å; M35-V38 PolarHBondContact O-N 3.26Å; M35-L39 HydrophobicContact CG-CD1 4.39Å; M35-L39 VanDerWaalsContact O-CB 3.26Å; M35-L39 WeakPolarHBondContact O-CB 3.42Å; M35-L39 WeakPolarHBondContact O-CD1 3.35Å; M35-L39 WeakPolarHBondContact O-CG 3.37Å; M35-L39 PolarHBondContact O-N 3.46Å; M35-L282 HydrophobicContact CG-CD1 4.32Å; M35-N317 WeakPolarHBondContact CE-O 3.48Å; M35-N317 PolarHBondContact N-OD1 3.16Å; M35-M320 HydrophobicContact CE-CB 3.37Å; M35-M320 HydrophobicContact SD-CB 3.61Å; M35-S321 WeakPolarHBondContact CE-OG 3.31Å; M35-Q324 PolarHBondContact SD-NE2 2.99Å; M35-Y357 VanDerWaalsContact CA-OH 3.24Å; M35-Y357 WeakPolarHBondContact CA-OH 3.46Å; M35-Y357 HydrophobicContact CB-CE1 4.35Å; M35-Y357 WeakPolarHBondContact CB-OH 3.09Å; M35-Y357 PolarHBondContact N-OH 3.21Å
36L44.5Very low35.2Very low5 Ų568.5 Ų68.53%0.02639%0.39CS..Hα-helixtrans-67.3-37.4169-93.6170000111.2S34 L39 L40 I353 R356 Y357S34-L36 PolarHBondContact O-N 3.01Å; S34-L36 WeakPolarHBondContact OG-CB 3.46Å; S34-L36 PolarHBondContact OG-N 3.41Å; L36-L39 CarbonylContact O-C 3.51Å; L36-L39 PolarHBondContact O-N 3.19Å; L36-L40 HydrophobicContact CB-CD1 4.27Å; L36-L40 HydrophobicContact CD2-CD1 3.62Å; L36-L40 HydrophobicContact CD2-CG 4.05Å; L36-L40 HydrophobicContact CG-CD1 4.46Å; L36-L40 VanDerWaalsContact O-CA 3.25Å; L36-L40 WeakPolarHBondContact O-CA 3.45Å; L36-L40 WeakPolarHBondContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 3.04Å; L36-I353 HydrophobicContact CB-CG2 4.16Å; L36-I353 HydrophobicContact CD1-CB 4.08Å; L36-I353 HydrophobicContact CD1-CG1 4.38Å; L36-I353 HydrophobicContact CD1-CG2 3.55Å; L36-I353 HydrophobicContact CG-CG2 4.43Å; L36-R356 HydrophobicContact CD1-CB 4.03Å; L36-Y357 HydrophobicContact CB-CE1 4.06Å; L36-Y357 HydrophobicContact CD1-CD1 3.89Å; L36-Y357 HydrophobicContact CD1-CE1 3.63Å; L36-Y357 HydrophobicContact CG-CD1 4.09Å; L36-Y357 HydrophobicContact CG-CE1 3.4Å; L36-Y357 VanDerWaalsContact CG-CE1 3.4Å; L36-Y357 PolarHBondContact N-OH 3.39Å
37R45.5Very low35.5Very low53 Ų5365 Ų6520%0.239%0.388CS..Hα-helixtrans-63-45.3165.1-121.8-153172.2143.3-11.8110.4S29 P30 S31 S34 L39 L40 S41S29-R37 VanDerWaalsContact CB-NH2 3.32Å; P30-R37 HydrophobicContact CB-CB 4.06Å; P30-R37 HydrophobicContact CB-CG 3.75Å; P30-R37 HydrophobicContact CG-CB 4.26Å; P30-R37 HydrophobicContact CG-CG 3.73Å; P30-R37 WeakPolarHBondContact O-CD 3.31Å; P30-R37 PolarHBondContact O-NE 2.89Å; P30-R37 PolarHBondContact O-NH1 3.27Å; S31-R37 WeakPolarHBondContact O-CD 3.4Å; S34-R37 CarbonylContact O-C 3.53Å; S34-R37 VanDerWaalsContact O-CA 3.25Å; S34-R37 WeakPolarHBondContact O-CA 3.5Å; S34-R37 VanDerWaalsContact O-CB 3.25Å; S34-R37 WeakPolarHBondContact O-CB 3.4Å; S34-R37 PolarHBondContact O-N 3.39Å; S34-R37 PolarHBondContact OG-N 3.09Å; S34-R37 VanDerWaalsContact OG-N 3.07Å; R37-L39 PolarHBondContact O-N 3.26Å; R37-L39 VanDerWaalsContact O-N 3.07Å; R37-L40 CarbonylContact O-C 3.46Å; R37-L40 PolarHBondContact O-N 3.4Å; R37-S41 WeakPolarHBondContact CB-OG 3.4Å; R37-S41 WeakPolarHBondContact CG-OG 3.34Å; R37-S41 WeakPolarHBondContact O-CA 3.44Å; R37-S41 WeakPolarHBondContact O-CB 3.2Å; R37-S41 PolarHBondContact O-N 3.26Å; R37-S41 PolarHBondContact O-OG 2.99Å
38V43.5Very low35.9Very low36 Ų3668.2 Ų68.222%0.21838%0.381CS..Hα-helixtrans-61.7-23.7176.4173.60000112.7S34 M35 L282S34-V38 PolarHBondContact O-N 3.45Å; M35-V38 CarbonylContact O-C 3.51Å; M35-V38 PolarHBondContact O-N 3.26Å; V38-L282 HydrophobicContact CG2-CD2 4.47Å
39L42Very low36.2Very low16 Ų1663 Ų638%0.08437%0.366CS..Hα-helixtrans-93.9-19.5172.5-66.4166.9000113.7M35 L36 R37 L390M35-L39 HydrophobicContact CG-CD1 4.39Å; M35-L39 VanDerWaalsContact O-CB 3.26Å; M35-L39 WeakPolarHBondContact O-CB 3.42Å; M35-L39 WeakPolarHBondContact O-CD1 3.35Å; M35-L39 WeakPolarHBondContact O-CG 3.37Å; M35-L39 PolarHBondContact O-N 3.46Å; L36-L39 CarbonylContact O-C 3.51Å; L36-L39 PolarHBondContact O-N 3.19Å; R37-L39 PolarHBondContact O-N 3.26Å; R37-L39 VanDerWaalsContact O-N 3.07Å; L39-L390 HydrophobicContact CB-CD2 4.22Å; L39-L390 HydrophobicContact CD2-CD1 4.48Å; L39-L390 HydrophobicContact CD2-CD2 4.38Å
40L39.7Very low36.2Very low51 Ų5163.9 Ų63.927%0.26737%0.373SS..Hα-helixtrans-131.68.1-171.2-57.1175000115L36 R37 I391L36-L40 HydrophobicContact CB-CD1 4.27Å; L36-L40 HydrophobicContact CD2-CD1 3.62Å; L36-L40 HydrophobicContact CD2-CG 4.05Å; L36-L40 HydrophobicContact CG-CD1 4.46Å; L36-L40 VanDerWaalsContact O-CA 3.25Å; L36-L40 WeakPolarHBondContact O-CA 3.45Å; L36-L40 WeakPolarHBondContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 3.04Å; R37-L40 CarbonylContact O-C 3.46Å; R37-L40 PolarHBondContact O-N 3.4Å; L40-I391 HydrophobicContact CB-CD1 4.13Å; L40-I391 HydrophobicContact CD2-CD1 4.39Å; L40-I391 HydrophobicContact CD2-CG1 4.14Å; L40-I391 WeakPolarHBondContact O-CD1 3.22Å
41S37.9Very low36.2Very low52 Ų5263.4 Ų63.436%0.36437%0.372SS..  trans-124.178.3177.3620000110.9R37 Q43R37-S41 WeakPolarHBondContact CB-OG 3.4Å; R37-S41 WeakPolarHBondContact CG-OG 3.34Å; R37-S41 WeakPolarHBondContact O-CA 3.44Å; R37-S41 WeakPolarHBondContact O-CB 3.2Å; R37-S41 PolarHBondContact O-N 3.26Å; R37-S41 PolarHBondContact O-OG 2.99Å; S41-Q43 VanDerWaalsContact C-N 3.28Å
42A37.3Very low36.2Very low41 Ų4166.1 Ų66.134%0.33938%0.383SS..  trans-94.417.4132.600000111.6T44 I391A42-T44 PolarHBondContact O-N 3.45Å; A42-T44 VanDerWaalsContact O-N 3.16Å; A42-I391 HydrophobicContact CB-CG2 3.94Å
43Q28.4Very low36.1Very low155 Ų15564.7 Ų64.772%0.72437%0.37SS*.  trans-83.782.4171.7-71.2-156.1-100110.7S41 I391S41-Q43 VanDerWaalsContact C-N 3.28Å; Q43-I391 HydrophobicContact CG-CD1 4.31Å
44T31.3Very low35.7Very low92 Ų9268.7 Ų68.756%0.56439%0.391SS*.SBendtrans-145.7114.7150.850.70000106.8A42A42-T44 PolarHBondContact O-N 3.45Å; A42-T44 VanDerWaalsContact O-N 3.16Å
45S30.5Very low34.9Very low67 Ų6774.9 Ų74.947%0.46942%0.423SS..  trans24.3122.9168.6176.20000117.7A47 R48S45-A47 PolarHBondContact O-N 2.88Å; S45-A47 WeakPolarHBondContact OG-CB 3.39Å; S45-A47 PolarHBondContact OG-N 3.49Å; S45-R48 PolarHBondContact O-N 3.45Å
46P29.7Very low34Very low123 Ų12376.9 Ų76.980%0.79944%0.436SS*.G310 helixtrans-55.7-16.6174.723.5-31.2000113.3R48P46-R48 PolarHBondContact O-N 3.39Å
47A30.6Very low33.3Very low85 Ų8578 Ų7870%0.70244%0.444SS*.G310 helixtrans-76.7-7.7176.800000115.5S45S45-A47 PolarHBondContact O-N 2.88Å; S45-A47 WeakPolarHBondContact OG-CB 3.39Å; S45-A47 PolarHBondContact OG-N 3.49Å
48R32.8Very low32.6Very low194 Ų19478.4 Ų78.473%0.73245%0.452SS*.G310 helixtrans-112.7-1178.3-69.4-170.4-174.9-171.33.2115.1S45 P46S45-R48 PolarHBondContact O-N 3.45Å; P46-R48 PolarHBondContact O-N 3.39Å
49L31.9Very low31.9Very low74 Ų7484.3 Ų84.339%0.38748%0.477SS..G310 helixtrans-92.2-2.2-175-73.9170.4000115.2G51 L52L49-G51 PolarHBondContact O-N 3.49Å; L49-L52 HydrophobicContact CD2-CD1 4.2Å
50S26.1Very low31.2Very low102 Ų10288.4 Ų88.471%0.71351%0.505SS*.G310 helixtrans-70.3-11.2175.7-53.70000114
51G29.5Very low30.6Very low14 Ų1490.5 Ų90.514%0.14452%0.522CS..G310 helixtrans-104.819.2-178.500000115.7L49 Y218L49-G51 PolarHBondContact O-N 3.49Å; G51-Y218 WeakPolarHBondContact O-CE2 3.15Å; G51-Y218 PolarHBondContact O-OH 3.49Å
52L31.4Very low30Very low96 Ų9693.9 Ų93.950%0.50355%0.545SS..  trans-1259.5177.1-80.3167.7000113L49 L54 R217L49-L52 HydrophobicContact CD2-CD1 4.2Å; L52-L54 PolarHBondContact O-N 3.41Å; L52-R217 HydrophobicContact CD2-CB 4.37Å; L52-R217 WeakPolarHBondContact CD2-O 3.12Å
53L28.5Very low29.7Very low63 Ų63100.2 Ų100.233%0.3357%0.572SS.*  trans-84.7101.6170.7-68169.5000107.8I55 P56 Y399L53-I55 PolarHBondContact O-N 2.9Å; L53-P56 HydrophobicContact CD1-CB 4.39Å; L53-Y399 VanDerWaalsContact CD2-OH 3.24Å; L53-Y399 WeakPolarHBondContact CD2-OH 3.45Å
54L32.9Very low29.6Very low117 Ų11795.7 Ų95.761%0.61357%0.567SS**SBendtrans-72-7.6163.8-101157000111.9L52 Y218L52-L54 PolarHBondContact O-N 3.41Å; L54-Y218 HydrophobicContact CD1-CD1 4.46Å; L54-Y218 HydrophobicContact CD2-CD1 4.47Å; L54-Y218 HydrophobicContact CG-CD1 4.12Å; L54-Y218 HydrophobicContact CG-CE1 4.19Å
55I30.1Very low29.5Very low131 Ų13197.9 Ų97.967%0.67258%0.582SS**SBendtrans-153.8127.7163.7-52.8178.8000105.5L53L53-I55 PolarHBondContact O-N 2.9Å
56P31Very low29.5Very low48 Ų48100 Ų10031%0.31260%0.597SS.*PPolyproline II helixtrans-69.3137.5172.8-18.235.8000108.9L53 V58 H156L53-P56 HydrophobicContact CD1-CB 4.39Å; P56-V58 PolarHBondContact O-N 3.22Å; P56-H156 WeakPolarHBondContact CB-CE1 3.38Å; P56-H156 WeakPolarHBondContact CG-CE1 3.49Å; P56-H156 WeakPolarHBondContact CG-ND1 3.46Å
57P30Very low29.6Very low28 Ų28103.4 Ų103.418%0.18260%0.6CS.*PPolyproline II helixtrans-63124.7161.923-15.9000105.7Q59 K398 Y399P57-Q59 PolarHBondContact O-N 3.32Å; P57-Q59 VanDerWaalsContact O-N 3.13Å; P57-K398 HydrophobicContact CB-CD 4.38Å; P57-K398 HydrophobicContact CG-CD 4.18Å; P57-K398 VanDerWaalsContact CG-NZ 3.34Å; P57-Y399 HydrophobicContact CB-CD1 4.32Å; P57-Y399 HydrophobicContact CB-CE1 3.34Å; P57-Y399 WeakPolarHBondContact CB-OH 3.25Å; P57-Y399 WeakPolarHBondContact CD-OH 3.3Å; P57-Y399 HydrophobicContact CG-CE1 3.96Å; P57-Y399 WeakPolarHBondContact CG-OH 3.25Å
58V29.1Very low29.5Very low61 Ų61112 Ų11237%0.3761%0.614SS.*PPolyproline II helixtrans-46.3116.8141.6161.90000108.1P56 P60 V160P56-V58 PolarHBondContact O-N 3.22Å; V58-P60 VanDerWaalsContact O-CD 3.3Å; V58-P60 WeakPolarHBondContact O-CD 3.33Å; V58-V160 HydrophobicContact CG2-CG1 4.5Å
59Q29.4Very low29.3Very low160 Ų160106 Ų10675%0.74861%0.612SS**PPolyproline II helixtrans-65.7124.4165-83.4177.1-56.900108.4P57P57-Q59 PolarHBondContact O-N 3.32Å; P57-Q59 VanDerWaalsContact O-N 3.13Å
60P28.3Very low29.2Very low102 Ų102110.1 Ų110.166%0.66264%0.635SS**  trans-77.5115.9146.47.511.8000106.2V58 C62V58-P60 VanDerWaalsContact O-CD 3.3Å; V58-P60 WeakPolarHBondContact O-CD 3.33Å; P60-C62 PolarHBondContact O-N 3.03Å; P60-C62 VanDerWaalsContact O-N 3.13Å
61C26.4Very low29.3Very low95 Ų95116.5 Ų116.564%0.64264%0.643SS**  trans-59.2116.5166.9-70.20000108.3L63C61-L63 PolarHBondContact O-N 3.49Å
62C25.5Very low29.2Very low123 Ų123121.5 Ų121.583%0.83167%0.673SS**  trans-61.3120.2167.9-54.80000108.9P60P60-C62 PolarHBondContact O-N 3.03Å; P60-C62 VanDerWaalsContact O-N 3.13Å
63L29.8Very low29.3Very low175 Ų175124 Ų12492%0.91669%0.692SS**  trans-12491.4149.3-80.6167.8000106.3C61C61-L63 PolarHBondContact O-N 3.49Å
64G26.7Very low29.4Very low59 Ų59124.7 Ų124.761%0.60872%0.715SS**  trans-63.2153.4159.800000109.7S66G64-S66 PolarHBondContact O-N 3.01Å; G64-S66 VanDerWaalsContact O-N 3.14Å
65P30.4Very low29.3Very low138 Ų138122.9 Ų122.990%0.89673%0.725SS**  trans-74.9108.9-17330.7-30.8000109.1
66S30.7Very low29.1Very low111 Ų111120.4 Ų120.478%0.77673%0.731SS**  trans-90.1116.4161.7-165.30000108.6G64 W68G64-S66 PolarHBondContact O-N 3.01Å; G64-S66 VanDerWaalsContact O-N 3.14Å; S66-W68 PolarHBondContact O-N 3.11Å
67K31.2Very low29.3Very low196 Ų196124.4 Ų124.485%0.85276%0.757SS**  trans-16.6115.7170.6-64.6176.4175.3-177.50114.7G69K67-G69 PolarHBondContact O-N 2.81Å; K67-G69 VanDerWaalsContact O-N 3.16Å
68W28.2Very low29.3Very low264 Ų264128.9 Ų128.9100%179%0.789SS**  trans-66.4105.2153.6-82.427.3000107.7S66S66-W68 PolarHBondContact O-N 3.11Å
69G29.3Very low29.5Very low68 Ų68129.4 Ų129.470%0.70180%0.8SS**  trans-101.3135.8157.900000108.1K67K67-G69 PolarHBondContact O-N 2.81Å; K67-G69 VanDerWaalsContact O-N 3.16Å
70D28.5Very low29.7Very low162 Ų162123.5 Ų123.587%0.86678%0.782SS**SBendtrans-51.2133.3179-70.1-55.7000114.1
71R28.4Very low30.7Very low235 Ų235122.7 Ų122.789%0.88778%0.777SS**  trans141.9129.5133.3-78.3-174.6-168.9-151.63.3111.7
72P26.8Very low31.8Very low119 Ų119120.3 Ų120.377%0.77376%0.759SS**  trans-88170.8175.136.4-31.4000111.4
73V35.4Very low33.3Very low148 Ų148120 Ų12090%0.89775%0.746SS**  trans118.9108.9157.4-177.10000113.4
74G30.3Very low35.7Very low78 Ų78113.3 Ų113.380%0.80472%0.718SS**  trans117.7109.9147.400000117.7
75G30.8Very low38.6Very low80 Ų80111.1 Ų111.183%0.82569%0.693SS**  trans89.6108.5148.500000117.9
76G24.9Very low41.3Very low78 Ų78107.2 Ų107.280%0.80466%0.662SS**  trans-70.2168.717300000114.4
77P35Very low44Very low132 Ų132107.7 Ų107.786%0.85765%0.647SS**  -136.9125.9103.828.5-11.7000113.8
78S30.1Very low46.8Very low122 Ų122101.4 Ų101.485%0.85362%0.622SS**  trans1598.2155.6-151.40000118.8
79A33Very low49.8Very low73 Ų7388.8 Ų88.860%0.60358%0.575SS**  trans-79.2118.4161.600000109.2
80G35.4Very low52.6Low35 Ų3589.1 Ų89.136%0.36156%0.558SS.*  trans-55.4149.3-172.800000114.5V82 Q83G80-V82 PolarHBondContact O-N 3.38Å; G80-Q83 PolarHBondContact O-N 3.34Å
81P47.6Very low55.6Low86 Ų8687.7 Ų87.756%0.55855%0.546SS*.Hα-helixtrans-60.7-17.2-166.720.5-31.8000115.2K108P81-K108 HydrophobicContact CB-CD 4.28Å
82V49.3Very low58.4Low44 Ų4476.5 Ų76.527%0.26750%0.504SS..Hα-helixtrans-76.6-38-178.7-175.50000112.1G80 G84G80-V82 PolarHBondContact O-N 3.38Å; V82-G84 VanDerWaalsContact C-N 3.28Å; V82-G84 PolarHBondContact O-N 3.06Å
83Q57.7Low61.2Low118 Ų11878.9 Ų78.955%0.55150%0.502SS*.Hα-helixtrans-75-20.9-179.3-70.9-179.4-4.500112.8G80 R87G80-Q83 PolarHBondContact O-N 3.34Å; Q83-R87 PolarHBondContact O-N 3.15Å; Q83-R87 PolarHBondContact O-NE 2.99Å
84G80Confident63.6Low33 Ų3373.7 Ų73.734%0.3447%0.472SS..Hα-helixtrans-66.9-48.7175.800000111.6V82 R87 L88V82-G84 VanDerWaalsContact C-N 3.28Å; V82-G84 PolarHBondContact O-N 3.06Å; G84-R87 PolarHBondContact O-N 3.45Å; G84-L88 VanDerWaalsContact O-CG 3.29Å; G84-L88 WeakPolarHBondContact O-CG 3.45Å; G84-L88 PolarHBondContact O-N 3.16Å
85L87.8Confident66.2Low14 Ų1470.6 Ų70.67%0.07344%0.438CS..Hα-helixtrans-66.8-43.5-175.6-178.259000112.7R87 L88 L89 W101 K108 V109L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 3.34Å; L85-L89 HydrophobicContact CD1-CD1 4.48Å; L85-L89 HydrophobicContact CD1-CG 4.31Å; L85-L89 HydrophobicContact CG-CD1 4.24Å; L85-L89 WeakPolarHBondContact O-CG 3.26Å; L85-L89 PolarHBondContact O-N 3.11Å; L85-W101 HydrophobicContact CD1-CB 3.95Å; L85-W101 WeakPolarHBondContact CD1-O 3.29Å; L85-K108 HydrophobicContact CD2-CB 4.47Å; L85-V109 HydrophobicContact CD2-CG2 3.96Å
86Q87.9Confident68.8Low55 Ų5568 Ų6826%0.25741%0.412SS..Hα-helixtrans-58.4-43.8176.5-178.2176.6-27.400111.4L88 L89 E90 V116Q86-L88 PolarHBondContact O-N 3.13Å; Q86-L89 PolarHBondContact O-N 3.19Å; Q86-E90 HydrophobicContact CG-CG 4.46Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.45Å; Q86-E90 PolarHBondContact NE2-OE1 3.4Å; Q86-E90 WeakPolarHBondContact O-CG 3.46Å; Q86-E90 PolarHBondContact O-N 2.93Å; Q86-V116 HydrophobicContact CG-CG1 4.4Å; Q86-V116 HydrophobicContact CG-CG2 4.35Å
87R87.1Confident71.8Confident122 Ų12266.6 Ų66.646%0.4638%0.384SS..Hα-helixtrans-62.5-42.1176-81-174.5-102.8172.3-11.8112.4Q83 G84 L85 L89 E90 Q91Q83-R87 PolarHBondContact O-N 3.15Å; Q83-R87 PolarHBondContact O-NE 2.99Å; G84-R87 PolarHBondContact O-N 3.45Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.36Å; R87-L89 VanDerWaalsContact C-N 3.31Å; R87-L89 PolarHBondContact O-N 3.36Å; R87-E90 PolarHBondContact O-N 2.87Å; R87-Q91 VanDerWaalsContact O-CB 3.31Å; R87-Q91 WeakPolarHBondContact O-CB 3.35Å; R87-Q91 VanDerWaalsContact O-CG 3.27Å; R87-Q91 WeakPolarHBondContact O-CG 3.44Å; R87-Q91 PolarHBondContact O-N 3.19Å
88L90.2Very high74.4Confident63 Ų6360.3 Ų60.333%0.3334%0.343SS..Hα-helixtrans-61.9-39.1176.2-69.4170.2000111.9G84 L85 Q86 A92 W101G84-L88 VanDerWaalsContact O-CG 3.29Å; G84-L88 WeakPolarHBondContact O-CG 3.45Å; G84-L88 PolarHBondContact O-N 3.16Å; L85-L88 PolarHBondContact O-N 3.34Å; Q86-L88 PolarHBondContact O-N 3.13Å; L88-A92 PolarHBondContact O-N 3.33Å; L88-W101 HydrophobicContact CB-CD2 3.96Å; L88-W101 HydrophobicContact CB-CE3 4.44Å; L88-W101 HydrophobicContact CB-CG 4.09Å; L88-W101 HydrophobicContact CD1-CD2 4.17Å; L88-W101 HydrophobicContact CD1-CE3 3.79Å; L88-W101 HydrophobicContact CD1-CH2 4.24Å; L88-W101 HydrophobicContact CD1-CZ3 3.83Å; L88-W101 HydrophobicContact CD2-CH2 4.05Å; L88-W101 HydrophobicContact CD2-CZ2 3.89Å; L88-W101 HydrophobicContact CD2-CZ3 4.48Å; L88-W101 HydrophobicContact CG-CD2 4.48Å
89L90.5Very high77.2Confident0 Ų056 Ų560%031%0.311CS..Hα-helixtrans-67.9-44.3175.1-67.6171000111.9L85 Q86 R87 Q91 A92 L98 W101 L102 H113 V116 A117 R120L85-L89 HydrophobicContact CD1-CD1 4.48Å; L85-L89 HydrophobicContact CD1-CG 4.31Å; L85-L89 HydrophobicContact CG-CD1 4.24Å; L85-L89 WeakPolarHBondContact O-CG 3.26Å; L85-L89 PolarHBondContact O-N 3.11Å; Q86-L89 PolarHBondContact O-N 3.19Å; R87-L89 VanDerWaalsContact C-N 3.31Å; R87-L89 PolarHBondContact O-N 3.36Å; L89-Q91 VanDerWaalsContact C-N 3.26Å; L89-Q91 PolarHBondContact O-N 3.03Å; L89-A92 WeakPolarHBondContact O-CB 3.36Å; L89-A92 PolarHBondContact O-N 3.27Å; L89-L98 HydrophobicContact CB-CD2 4.31Å; L89-L98 HydrophobicContact CD2-CD2 3.82Å; L89-L98 WeakPolarHBondContact O-CD2 3.4Å; L89-W101 HydrophobicContact CD2-CB 3.77Å; L89-W101 HydrophobicContact CG-CB 4.47Å; L89-L102 HydrophobicContact CD1-CD2 3.85Å; L89-L102 HydrophobicContact CD2-CD2 4.01Å; L89-L102 HydrophobicContact CD2-CG 3.91Å; L89-H113 HydrophobicContact CD1-CB 3.75Å; L89-V116 HydrophobicContact CB-CG1 3.97Å; L89-A117 HydrophobicContact CD2-CB 4.4Å; L89-R120 VanDerWaalsContact O-CG 3.32Å; L89-R120 WeakPolarHBondContact O-CG 3.47Å
90E89.1Confident79.8Confident75 Ų7558.3 Ų58.335%0.3530%0.304SS..Hα-helixtrans-65.3-30178.1-72.6171.1178.600112.8Q86 R87 V116 R120Q86-E90 HydrophobicContact CG-CG 4.46Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.45Å; Q86-E90 PolarHBondContact NE2-OE1 3.4Å; Q86-E90 WeakPolarHBondContact O-CG 3.46Å; Q86-E90 PolarHBondContact O-N 2.93Å; R87-E90 PolarHBondContact O-N 2.87Å; E90-V116 HydrophobicContact CG-CG1 3.66Å; E90-R120 VanDerWaalsContact O-CD 3.31Å; E90-R120 WeakPolarHBondContact O-CD 3.31Å; E90-R120 VanDerWaalsContact O-CZ 3.24Å; E90-R120 PolarHBondContact O-NE 3.05Å; E90-R120 VanDerWaalsContact O-NE 3.1Å
91Q90.7Very high82.4Confident131 Ų13159.6 Ų59.661%0.61230%0.298SS*.Hα-helixtrans-93.6-4.4-179.5-67.6178.1-7.700114.1R87 L89 K93R87-Q91 VanDerWaalsContact O-CB 3.31Å; R87-Q91 WeakPolarHBondContact O-CB 3.35Å; R87-Q91 VanDerWaalsContact O-CG 3.27Å; R87-Q91 WeakPolarHBondContact O-CG 3.44Å; R87-Q91 PolarHBondContact O-N 3.19Å; L89-Q91 VanDerWaalsContact C-N 3.26Å; L89-Q91 PolarHBondContact O-N 3.03Å; Q91-K93 PolarHBondContact O-N 3.01Å
92A87.2Confident84.3Confident0 Ų055.6 Ų55.60%027%0.272CS..  trans-53.6132.9-178.900000110.9L88 L89 E97 L98 R120L88-A92 PolarHBondContact O-N 3.33Å; L89-A92 WeakPolarHBondContact O-CB 3.36Å; L89-A92 PolarHBondContact O-N 3.27Å; A92-E97 WeakPolarHBondContact CA-OE2 3.16Å; A92-E97 HydrophobicContact CB-CB 4.01Å; A92-L98 HydrophobicContact CB-CD2 3.47Å; A92-L98 VanDerWaalsContact CB-CD2 3.47Å; A92-L98 HydrophobicContact CB-CG 3.77Å; A92-R120 HydrophobicContact CB-CG 4.42Å; A92-R120 PolarHBondContact O-NE 2.92Å; A92-R120 PolarHBondContact O-NH2 2.97Å
93K85.8Confident85.9Confident169 Ų16955.7 Ų55.774%0.73528%0.281SS*.SBendtrans-95.9-13.6-177-61.6-173.9-178.7-178.70113Q91 E97Q91-K93 PolarHBondContact O-N 3.01Å; K93-E97 PolarHBondContact N-OE2 3.39Å
94S85.1Confident87Confident40 Ų4054.9 Ų54.928%0.2828%0.278SS..SBendtrans-144.3154.9177.564.90000111.5G96 E97 L98S94-G96 PolarHBondContact O-N 3.46Å; S94-E97 WeakPolarHBondContact O-CB 3.46Å; S94-E97 PolarHBondContact O-N 3.06Å; S94-E97 VanDerWaalsContact O-N 3.09Å; S94-E97 PolarHBondContact OG-N 3.4Å; S94-L98 PolarHBondContact O-N 2.88Å
95P84.3Confident86.6Confident12 Ų1256.4 Ų56.48%0.07828%0.278CS..Hα-helixtrans-56.8-32.6171.8-2838.7000112.7E97 L98 L99 L121 L124 E135 T138P95-E97 VanDerWaalsContact C-N 3.34Å; P95-E97 PolarHBondContact O-N 2.89Å; P95-L98 WeakPolarHBondContact O-CB 3.39Å; P95-L98 PolarHBondContact O-N 2.88Å; P95-L99 PolarHBondContact O-N 2.93Å; P95-L121 HydrophobicContact CB-CD1 3.81Å; P95-L121 HydrophobicContact CG-CD1 3.76Å; P95-L124 HydrophobicContact CG-CD1 4.42Å; P95-E135 HydrophobicContact CG-CG 4.23Å; P95-T138 VanDerWaalsContact C-CG2 3.45Å; P95-T138 HydrophobicContact CB-CG2 3.67Å
96G86.1Confident86Confident27 Ų2760.4 Ų60.428%0.27830%0.304SS..Hα-helixtrans-67.1-32.8176.700000113.2S94 R100S94-G96 PolarHBondContact O-N 3.46Å; G96-R100 WeakPolarHBondContact O-CB 3.4Å; G96-R100 PolarHBondContact O-N 3.5Å
97E88.5Confident85.6Confident47 Ų4763.2 Ų63.222%0.2233%0.331CS..Hα-helixtrans-65.6-40.1170.7-82.5175.4-160.400111.8A92 K93 S94 P95 L99 R100 W101A92-E97 WeakPolarHBondContact CA-OE2 3.16Å; A92-E97 HydrophobicContact CB-CB 4.01Å; K93-E97 PolarHBondContact N-OE2 3.39Å; S94-E97 WeakPolarHBondContact O-CB 3.46Å; S94-E97 PolarHBondContact O-N 3.06Å; S94-E97 VanDerWaalsContact O-N 3.09Å; S94-E97 PolarHBondContact OG-N 3.4Å; P95-E97 VanDerWaalsContact C-N 3.34Å; P95-E97 PolarHBondContact O-N 2.89Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 3.01Å; E97-R100 PolarHBondContact O-N 3.25Å; E97-W101 WeakPolarHBondContact O-CB 2.94Å; E97-W101 VanDerWaalsContact O-CG 3.26Å; E97-W101 PolarHBondContact O-N 2.93Å
98L89.4Confident85.3Confident1 Ų161.9 Ų61.91%0.00533%0.328CS..Hα-helixtrans-58.4-47.3176.7-67.7172.6000111.2L89 A92 S94 P95 R100 W101 L102 A117 R120 L121 L124 L142L89-L98 HydrophobicContact CB-CD2 4.31Å; L89-L98 HydrophobicContact CD2-CD2 3.82Å; L89-L98 WeakPolarHBondContact O-CD2 3.4Å; A92-L98 HydrophobicContact CB-CD2 3.47Å; A92-L98 VanDerWaalsContact CB-CD2 3.47Å; A92-L98 HydrophobicContact CB-CG 3.77Å; S94-L98 PolarHBondContact O-N 2.88Å; P95-L98 WeakPolarHBondContact O-CB 3.39Å; P95-L98 PolarHBondContact O-N 2.88Å; L98-R100 PolarHBondContact O-N 3.04Å; L98-W101 PolarHBondContact O-N 3.34Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 2.8Å; L98-A117 HydrophobicContact CD2-CB 4.32Å; L98-R120 HydrophobicContact CD1-CB 4.27Å; L98-R120 HydrophobicContact CD1-CG 4.32Å; L98-R120 HydrophobicContact CD2-CB 4.07Å; L98-R120 HydrophobicContact CD2-CG 4.05Å; L98-L121 HydrophobicContact CD1-CB 3.99Å; L98-L124 HydrophobicContact CD1-CD1 4.08Å; L98-L142 HydrophobicContact CB-CD1 4.43Å
99L88.5Confident85.1Confident31 Ų3160 Ų6016%0.16232%0.319CS..Hα-helixtrans-60.3-44.8174.6-77.5178.3000112.3P95 E97 W101 L102 G103 T138 D141 L142P95-L99 PolarHBondContact O-N 2.93Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 3.01Å; L99-W101 VanDerWaalsContact C-N 3.34Å; L99-W101 PolarHBondContact O-N 2.88Å; L99-L102 PolarHBondContact O-N 3.39Å; L99-G103 PolarHBondContact O-N 3.42Å; L99-T138 HydrophobicContact CD1-CG2 3.34Å; L99-T138 HydrophobicContact CG-CG2 4.1Å; L99-D141 HydrophobicContact CD1-CB 3.53Å; L99-D141 HydrophobicContact CD2-CB 3.99Å; L99-D141 HydrophobicContact CG-CB 4.43Å; L99-L142 HydrophobicContact CD2-CB 3.96Å; L99-L142 HydrophobicContact CD2-CD1 4Å; L99-L142 HydrophobicContact CG-CD1 4.46Å
100R87.6Confident84.9Confident121 Ų12166.4 Ų66.446%0.45734%0.343SS..Hα-helixtrans-60.9-44.8179.5-167.2-173.7-55.4128.33.6111.3G96 E97 L98 G103 Q104G96-R100 WeakPolarHBondContact O-CB 3.4Å; G96-R100 PolarHBondContact O-N 3.5Å; E97-R100 PolarHBondContact O-N 3.25Å; L98-R100 PolarHBondContact O-N 3.04Å; R100-G103 PolarHBondContact O-N 3.21Å; R100-Q104 HydrophobicContact CG-CG 4.06Å; R100-Q104 WeakPolarHBondContact O-CB 3.2Å; R100-Q104 VanDerWaalsContact O-CG 3.27Å; R100-Q104 WeakPolarHBondContact O-CG 3.48Å; R100-Q104 PolarHBondContact O-N 3.44Å
101W89.2Confident84.7Confident62 Ų6263.7 Ų63.724%0.23533%0.333CS..Hα-helixtrans-66.9-38179.6-66.1132000112.6L85 L88 L89 E97 L98 L99L85-W101 HydrophobicContact CD1-CB 3.95Å; L85-W101 WeakPolarHBondContact CD1-O 3.29Å; L88-W101 HydrophobicContact CB-CD2 3.96Å; L88-W101 HydrophobicContact CB-CE3 4.44Å; L88-W101 HydrophobicContact CB-CG 4.09Å; L88-W101 HydrophobicContact CD1-CD2 4.17Å; L88-W101 HydrophobicContact CD1-CE3 3.79Å; L88-W101 HydrophobicContact CD1-CH2 4.24Å; L88-W101 HydrophobicContact CD1-CZ3 3.83Å; L88-W101 HydrophobicContact CD2-CH2 4.05Å; L88-W101 HydrophobicContact CD2-CZ2 3.89Å; L88-W101 HydrophobicContact CD2-CZ3 4.48Å; L88-W101 HydrophobicContact CG-CD2 4.48Å; L89-W101 HydrophobicContact CD2-CB 3.77Å; L89-W101 HydrophobicContact CG-CB 4.47Å; E97-W101 WeakPolarHBondContact O-CB 2.94Å; E97-W101 VanDerWaalsContact O-CG 3.26Å; E97-W101 PolarHBondContact O-N 2.93Å; L98-W101 PolarHBondContact O-N 3.34Å; L99-W101 VanDerWaalsContact C-N 3.34Å; L99-W101 PolarHBondContact O-N 2.88Å
102L88.3Confident84.4Confident3 Ų360.4 Ų60.42%0.01632%0.318CS..Hα-helixtrans-72.3-31.8174.1-65172.5000112.4L89 L98 L99 V109 H113 Y114 A117 L142 L145L89-L102 HydrophobicContact CD1-CD2 3.85Å; L89-L102 HydrophobicContact CD2-CD2 4.01Å; L89-L102 HydrophobicContact CD2-CG 3.91Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 2.8Å; L99-L102 PolarHBondContact O-N 3.39Å; L102-V109 HydrophobicContact CD2-CG1 3.84Å; L102-V109 HydrophobicContact CD2-CG2 4.4Å; L102-V109 WeakPolarHBondContact O-CG2 3.31Å; L102-H113 HydrophobicContact CD2-CB 4.21Å; L102-Y114 HydrophobicContact CD1-CD1 4.32Å; L102-Y114 HydrophobicContact CD1-CE1 4.48Å; L102-A117 HydrophobicContact CD1-CB 3.81Å; L102-L142 HydrophobicContact CD1-CD1 3.9Å; L102-L145 HydrophobicContact CB-CD2 3.56Å; L102-L145 HydrophobicContact CD1-CD2 3.65Å; L102-L145 HydrophobicContact CG-CD2 4.21Å
103G83.9Confident84.6Confident45 Ų4560.4 Ų60.446%0.46432%0.318SS..Hα-helixtrans-84.5-32.6-176.800000115.1L99 R100 N105L99-G103 PolarHBondContact O-N 3.42Å; R100-G103 PolarHBondContact O-N 3.21Å; G103-N105 VanDerWaalsContact C-N 3.32Å; G103-N105 PolarHBondContact O-N 3.04Å
104Q79.5Confident84.8Confident102 Ų10252.8 Ų52.848%0.47729%0.285SS..Hα-helixtrans-67.3-28-173.7-84.7179.9-3.300114.2R100R100-Q104 HydrophobicContact CG-CG 4.06Å; R100-Q104 WeakPolarHBondContact O-CB 3.2Å; R100-Q104 VanDerWaalsContact O-CG 3.27Å; R100-Q104 WeakPolarHBondContact O-CG 3.48Å; R100-Q104 PolarHBondContact O-N 3.44Å
105N71Confident84.9Confident64 Ų6451.5 Ų51.534%0.34228%0.275SS..  trans-141.669-175.7-72.3-95.9000110.8G103 S107 K108G103-N105 VanDerWaalsContact C-N 3.32Å; G103-N105 PolarHBondContact O-N 3.04Å; N105-S107 PolarHBondContact O-N 2.99Å; N105-S107 VanDerWaalsContact O-N 3.11Å; N105-K108 HydrophobicContact CB-CB 4.2Å; N105-K108 HydrophobicContact CB-CD 4.05Å; N105-K108 HydrophobicContact CB-CG 4.25Å; N105-K108 PolarHBondContact O-N 3.02Å
106P76.1Confident85.2Confident98 Ų9851.5 Ų51.564%0.63628%0.275SS*.G310 helixtrans-57.9-31.7-174.321.9-31.7000112.5K108 V109P106-K108 PolarHBondContact O-N 3.32Å; P106-V109 PolarHBondContact O-N 3.28Å
107S79.2Confident85.4Confident115 Ų11550.2 Ų50.280%0.80426%0.262SS*.G310 helixtrans-65.7-19.2176.658.80000114.7N105N105-S107 PolarHBondContact O-N 2.99Å; N105-S107 VanDerWaalsContact O-N 3.11Å
108K81.4Confident85.3Confident94 Ų9448 Ų4841%0.40925%0.252SS..G310 helixtrans-97.1-9.5177.8-63.6-180-176.5164.90112.6P81 L85 N105 P106 H113P81-K108 HydrophobicContact CB-CD 4.28Å; L85-K108 HydrophobicContact CD2-CB 4.47Å; N105-K108 HydrophobicContact CB-CB 4.2Å; N105-K108 HydrophobicContact CB-CD 4.05Å; N105-K108 HydrophobicContact CB-CG 4.25Å; N105-K108 PolarHBondContact O-N 3.02Å; P106-K108 PolarHBondContact O-N 3.32Å; K108-H113 PolarHBondContact O-CE1 3.24Å
109V85.1Confident85.1Confident24 Ų2451.2 Ų51.215%0.14526%0.264CS..  trans-79.9124.3-177.6-172.30000109.9L85 L102 P106 H113 Y114L85-V109 HydrophobicContact CD2-CG2 3.96Å; L102-V109 HydrophobicContact CD2-CG1 3.84Å; L102-V109 HydrophobicContact CD2-CG2 4.4Å; L102-V109 WeakPolarHBondContact O-CG2 3.31Å; P106-V109 PolarHBondContact O-N 3.28Å; V109-H113 HydrophobicContact CG1-CB 4.1Å; V109-Y114 HydrophobicContact CG1-CD2 4.25Å; V109-Y114 HydrophobicContact CG1-CE1 4.48Å; V109-Y114 HydrophobicContact CG1-CE2 3.51Å
110R85.9Confident85.1Confident134 Ų13452.6 Ų52.651%0.50627%0.267SS..  trans-106.9159.5172.6-66177.5178.6174.4-0.2109.7H112 H113R110-H112 VanDerWaalsContact C-N 3.28Å; R110-H112 PolarHBondContact O-N 2.92Å; R110-H112 VanDerWaalsContact O-N 3.16Å; R110-H113 PolarHBondContact N-ND1 3.24Å; R110-H113 VanDerWaalsContact O-CB 3.3Å; R110-H113 WeakPolarHBondContact O-CB 3.49Å; R110-H113 PolarHBondContact O-N 3.47Å
111A86Confident85.1Confident17 Ų1747 Ų4714%0.1425%0.246CC..Hα-helixtrans-47.5-45.9-179.900000113.8H113 Y114 F153 T157A111-H113 PolarHBondContact O-N 3.38Å; A111-Y114 WeakPolarHBondContact O-CD2 3.49Å; A111-Y114 PolarHBondContact O-N 3.39Å; A111-F153 HydrophobicContact CB-CB 4.23Å; A111-F153 HydrophobicContact CB-CD1 3.56Å; A111-F153 HydrophobicContact CB-CE1 4.24Å; A111-F153 HydrophobicContact CB-CG 4.06Å; A111-T157 HydrophobicContact CB-CG2 4.03Å; A111-T157 VanDerWaalsContact O-CG2 3.29Å; A111-T157 WeakPolarHBondContact O-CG2 3.42Å
112H85Confident84.7Confident63 Ų6345.3 Ų45.329%0.29225%0.247SC..Hα-helixtrans-64.6-24.5-179.466.7-92.9000113.9R110 Y114 S115 V116R110-H112 VanDerWaalsContact C-N 3.28Å; R110-H112 PolarHBondContact O-N 2.92Å; R110-H112 VanDerWaalsContact O-N 3.16Å; H112-Y114 PolarHBondContact O-N 3.05Å; H112-S115 WeakPolarHBondContact O-CB 3.42Å; H112-S115 PolarHBondContact O-N 3.04Å; H112-S115 VanDerWaalsContact O-N 3.07Å; H112-S115 PolarHBondContact O-OG 3.02Å; H112-V116 PolarHBondContact O-N 3.07Å; H112-V116 VanDerWaalsContact O-N 3.13Å
113H91.1Very high84.4Confident0 Ų050 Ų500%027%0.269CS..Hα-helixtrans-62.4-31.5177.4-64.2155.9000112L89 L102 K108 V109 R110 A111 S115 V116 A117L89-H113 HydrophobicContact CD1-CB 3.75Å; L102-H113 HydrophobicContact CD2-CB 4.21Å; K108-H113 PolarHBondContact O-CE1 3.24Å; V109-H113 HydrophobicContact CG1-CB 4.1Å; R110-H113 PolarHBondContact N-ND1 3.24Å; R110-H113 VanDerWaalsContact O-CB 3.3Å; R110-H113 WeakPolarHBondContact O-CB 3.49Å; R110-H113 PolarHBondContact O-N 3.47Å; A111-H113 PolarHBondContact O-N 3.38Å; H113-S115 VanDerWaalsContact C-N 3.34Å; H113-S115 PolarHBondContact O-N 3.1Å; H113-V116 PolarHBondContact O-N 2.94Å; H113-A117 WeakPolarHBondContact O-CB 3.29Å; H113-A117 PolarHBondContact O-N 3.48Å
114Y89.9Confident84.4Confident9 Ų948.7 Ų48.74%0.03525%0.252CS..Hα-helixtrans-65.4-37.7174.1-64-83.1000111.9L102 V109 A111 H112 V116 A117 L118 L145 I146 N149 F153L102-Y114 HydrophobicContact CD1-CD1 4.32Å; L102-Y114 HydrophobicContact CD1-CE1 4.48Å; V109-Y114 HydrophobicContact CG1-CD2 4.25Å; V109-Y114 HydrophobicContact CG1-CE1 4.48Å; V109-Y114 HydrophobicContact CG1-CE2 3.51Å; A111-Y114 WeakPolarHBondContact O-CD2 3.49Å; A111-Y114 PolarHBondContact O-N 3.39Å; H112-Y114 PolarHBondContact O-N 3.05Å; Y114-V116 VanDerWaalsContact C-N 3.34Å; Y114-A117 PolarHBondContact O-N 3.34Å; Y114-L118 PolarHBondContact O-N 3.23Å; Y114-L145 HydrophobicContact CD1-CD2 4.32Å; Y114-L145 HydrophobicContact CE1-CD2 3.57Å; Y114-L145 HydrophobicContact CE1-CG 4.01Å; Y114-I146 HydrophobicContact CD1-CB 4.5Å; Y114-I146 HydrophobicContact CD1-CG1 3.65Å; Y114-I146 HydrophobicContact CG-CG1 4.31Å; Y114-N149 HydrophobicContact CE1-CB 4.3Å; Y114-N149 HydrophobicContact CE2-CB 3.94Å; Y114-N149 WeakPolarHBondContact OH-CB 3.46Å; Y114-N149 PolarHBondContact OH-ND2 2.95Å; Y114-N149 PolarHBondContact OH-OD1 3.05Å; Y114-F153 HydrophobicContact CD1-CZ 4.22Å; Y114-F153 HydrophobicContact CD2-CD1 4.45Å; Y114-F153 AromaticContact CD2-CE1 3.3Å; Y114-F153 HydrophobicContact CD2-CE1 3.3Å; Y114-F153 AromaticContact CD2-CZ 3.38Å; Y114-F153 HydrophobicContact CD2-CZ 3.38Å; Y114-F153 AromaticContact CE2-CE1 3.66Å; Y114-F153 HydrophobicContact CE2-CE1 3.66Å; Y114-F153 HydrophobicContact CE2-CZ 4.06Å; Y114-F153 AromaticContact CG-CE1 3.94Å; Y114-F153 HydrophobicContact CG-CE1 3.94Å; Y114-F153 AromaticContact CG-CZ 3.48Å; Y114-F153 HydrophobicContact CG-CZ 3.48Å; Y114-F153 VanDerWaalsContact CG-CZ 3.48Å
115S87.1Confident84.3Confident12 Ų1245.9 Ų45.98%0.08424%0.24CC..Hα-helixtrans-67.2-34.5174.3770000112.7H112 H113 R119 L164H112-S115 WeakPolarHBondContact O-CB 3.42Å; H112-S115 PolarHBondContact O-N 3.04Å; H112-S115 VanDerWaalsContact O-N 3.07Å; H112-S115 PolarHBondContact O-OG 3.02Å; H113-S115 VanDerWaalsContact C-N 3.34Å; H113-S115 PolarHBondContact O-N 3.1Å; S115-R119 WeakPolarHBondContact O-CB 3.42Å; S115-R119 PolarHBondContact O-N 3.23Å; S115-R119 VanDerWaalsContact O-N 3.09Å; S115-L164 VanDerWaalsContact O-CD1 3.31Å; S115-L164 WeakPolarHBondContact O-CD1 3.32Å
116V89.5Confident84.1Confident12 Ų1246.2 Ų46.27%0.07326%0.258CS..Hα-helixtrans-67.5-43.8173.8176.80000110.2Q86 L89 E90 H112 H113 Y114 R119 R120Q86-V116 HydrophobicContact CG-CG1 4.4Å; Q86-V116 HydrophobicContact CG-CG2 4.35Å; L89-V116 HydrophobicContact CB-CG1 3.97Å; E90-V116 HydrophobicContact CG-CG1 3.66Å; H112-V116 PolarHBondContact O-N 3.07Å; H112-V116 VanDerWaalsContact O-N 3.13Å; H113-V116 PolarHBondContact O-N 2.94Å; Y114-V116 VanDerWaalsContact C-N 3.34Å; V116-R119 PolarHBondContact O-N 2.95Å; V116-R120 PolarHBondContact O-N 3.5Å
117A90.4Very high83.5Confident0 Ų045.7 Ų45.70%026%0.257CS..Hα-helixtrans-62.6-45.6177.400000112.3L89 L98 L102 H113 Y114 R119 R120 L121 L142L89-A117 HydrophobicContact CD2-CB 4.4Å; L98-A117 HydrophobicContact CD2-CB 4.32Å; L102-A117 HydrophobicContact CD1-CB 3.81Å; H113-A117 WeakPolarHBondContact O-CB 3.29Å; H113-A117 PolarHBondContact O-N 3.48Å; Y114-A117 PolarHBondContact O-N 3.34Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 3.01Å; A117-R120 PolarHBondContact O-N 3.31Å; A117-L121 VanDerWaalsContact O-CB 3.3Å; A117-L121 WeakPolarHBondContact O-CB 3.33Å; A117-L121 PolarHBondContact O-N 3.41Å; A117-L142 HydrophobicContact CB-CD1 4.42Å
118L86.4Confident82.3Confident0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-60.5-41.2174.5-77.2175.1000112Y114 L121 G122 L142 I146 C161 L164 L168 F170Y114-L118 PolarHBondContact O-N 3.23Å; L118-L121 HydrophobicContact CD2-CD2 4.45Å; L118-L121 WeakPolarHBondContact O-CB 3.23Å; L118-L121 PolarHBondContact O-N 3.45Å; L118-G122 PolarHBondContact O-N 3.29Å; L118-L142 HydrophobicContact CD2-CD2 3.8Å; L118-L142 HydrophobicContact CG-CD2 4.49Å; L118-I146 HydrophobicContact CD1-CD1 3.89Å; L118-I146 HydrophobicContact CD2-CD1 3.69Å; L118-I146 HydrophobicContact CG-CD1 3.7Å; L118-C161 HydrophobicContact CD1-CB 3.89Å; L118-L164 HydrophobicContact CB-CB 4.03Å; L118-L164 HydrophobicContact CB-CD1 3.85Å; L118-L164 HydrophobicContact CD1-CB 4.17Å; L118-L168 HydrophobicContact CB-CD1 4.29Å; L118-L168 HydrophobicContact CD2-CD1 3.82Å; L118-F170 HydrophobicContact CD2-CE2 4.43Å
119R85.9Confident80.8Confident70 Ų7049.3 Ų49.326%0.26427%0.269SS..Hα-helixtrans-63.5-46.1176.4-172.7-175.3-53.3152.115.4111.6S115 V116 A117 L121 G122 Q123 L164S115-R119 WeakPolarHBondContact O-CB 3.42Å; S115-R119 PolarHBondContact O-N 3.23Å; S115-R119 VanDerWaalsContact O-N 3.09Å; V116-R119 PolarHBondContact O-N 2.95Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 3.01Å; R119-L121 VanDerWaalsContact C-N 3.32Å; R119-L121 PolarHBondContact O-N 2.98Å; R119-G122 PolarHBondContact O-N 3.19Å; R119-Q123 PolarHBondContact O-N 3.46Å; R119-L164 HydrophobicContact CB-CD1 4.36Å
120R89.6Confident79Confident60 Ų6058.4 Ų58.423%0.22630%0.3CS..Hα-helixtrans-64.5-39.9178.8-176.660.9175.9175.6-4111.3L89 E90 A92 L98 V116 A117 G122 Q123 L124L89-R120 VanDerWaalsContact O-CG 3.32Å; L89-R120 WeakPolarHBondContact O-CG 3.47Å; E90-R120 VanDerWaalsContact O-CD 3.31Å; E90-R120 WeakPolarHBondContact O-CD 3.31Å; E90-R120 VanDerWaalsContact O-CZ 3.24Å; E90-R120 PolarHBondContact O-NE 3.05Å; E90-R120 VanDerWaalsContact O-NE 3.1Å; A92-R120 HydrophobicContact CB-CG 4.42Å; A92-R120 PolarHBondContact O-NE 2.92Å; A92-R120 PolarHBondContact O-NH2 2.97Å; L98-R120 HydrophobicContact CD1-CB 4.27Å; L98-R120 HydrophobicContact CD1-CG 4.32Å; L98-R120 HydrophobicContact CD2-CB 4.07Å; L98-R120 HydrophobicContact CD2-CG 4.05Å; V116-R120 PolarHBondContact O-N 3.5Å; A117-R120 PolarHBondContact O-N 3.31Å; R120-G122 VanDerWaalsContact C-N 3.28Å; R120-G122 PolarHBondContact O-N 3.39Å; R120-Q123 VanDerWaalsContact CD-OE1 3.28Å; R120-Q123 WeakPolarHBondContact O-CB 3.47Å; R120-Q123 PolarHBondContact O-N 2.91Å; R120-Q123 VanDerWaalsContact O-N 3.07Å; R120-L124 HydrophobicContact CG-CD1 4.15Å; R120-L124 HydrophobicContact CG-CG 4.33Å; R120-L124 WeakPolarHBondContact O-CG 3.42Å; R120-L124 PolarHBondContact O-N 3.21Å
121L86.5Confident77.2Confident3 Ų356.2 Ų56.22%0.01630%0.304CS..Hα-helixtrans-56-43.7173.6-179.665.6000111.3P95 L98 A117 L118 R119 Q123 L124 L125 L139 L142 L168P95-L121 HydrophobicContact CB-CD1 3.81Å; P95-L121 HydrophobicContact CG-CD1 3.76Å; L98-L121 HydrophobicContact CD1-CB 3.99Å; A117-L121 VanDerWaalsContact O-CB 3.3Å; A117-L121 WeakPolarHBondContact O-CB 3.33Å; A117-L121 PolarHBondContact O-N 3.41Å; L118-L121 HydrophobicContact CD2-CD2 4.45Å; L118-L121 WeakPolarHBondContact O-CB 3.23Å; L118-L121 PolarHBondContact O-N 3.45Å; R119-L121 VanDerWaalsContact C-N 3.32Å; R119-L121 PolarHBondContact O-N 2.98Å; L121-Q123 VanDerWaalsContact C-N 3.29Å; L121-Q123 PolarHBondContact O-N 3.48Å; L121-L124 PolarHBondContact O-N 3.47Å; L121-L124 VanDerWaalsContact O-N 3.13Å; L121-L125 HydrophobicContact CD1-CD1 4.12Å; L121-L125 HydrophobicContact CD1-CG 4.17Å; L121-L125 HydrophobicContact CG-CD1 3.94Å; L121-L125 HydrophobicContact CG-CG 4.37Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 3.44Å; L121-L139 HydrophobicContact CD1-CD2 4.2Å; L121-L139 HydrophobicContact CD2-CD2 3.31Å; L121-L139 HydrophobicContact CG-CD2 4.12Å; L121-L142 HydrophobicContact CD2-CD2 3.65Å; L121-L168 HydrophobicContact CD2-CD1 4.26Å
122G80.8Confident75.5Confident26 Ų2657.7 Ų57.727%0.26831%0.312SS..Hα-helixtrans-61.6-35.4175.400000114L118 R119 R120 G126L118-G122 PolarHBondContact O-N 3.29Å; R119-G122 PolarHBondContact O-N 3.19Å; R120-G122 VanDerWaalsContact C-N 3.28Å; R120-G122 PolarHBondContact O-N 3.39Å; G122-G126 PolarHBondContact O-N 2.61Å
123Q83.3Confident74Confident101 Ų10159.8 Ų59.847%0.47233%0.331SS..Hα-helixtrans-69.7-38.7173.5-63172-9.900112.1R119 R120 L121 S127R119-Q123 PolarHBondContact O-N 3.46Å; R120-Q123 VanDerWaalsContact CD-OE1 3.28Å; R120-Q123 WeakPolarHBondContact O-CB 3.47Å; R120-Q123 PolarHBondContact O-N 2.91Å; R120-Q123 VanDerWaalsContact O-N 3.07Å; L121-Q123 VanDerWaalsContact C-N 3.29Å; L121-Q123 PolarHBondContact O-N 3.48Å; Q123-S127 PolarHBondContact O-N 3.41Å; Q123-S127 PolarHBondContact O-OG 3.24Å
124L82.9Confident72.3Confident19 Ų1964.6 Ų64.610%0.09936%0.36CS..Hα-helixtrans-70-37.9178.4-68.9173.9000112.2P95 L98 R120 L121 S127P95-L124 HydrophobicContact CG-CD1 4.42Å; L98-L124 HydrophobicContact CD1-CD1 4.08Å; R120-L124 HydrophobicContact CG-CD1 4.15Å; R120-L124 HydrophobicContact CG-CG 4.33Å; R120-L124 WeakPolarHBondContact O-CG 3.42Å; R120-L124 PolarHBondContact O-N 3.21Å; L121-L124 PolarHBondContact O-N 3.47Å; L121-L124 VanDerWaalsContact O-N 3.13Å; L124-S127 PolarHBondContact O-OG 3.16Å; L124-S127 VanDerWaalsContact O-OG 3.05Å
125L77Confident71.2Confident43 Ų4364.7 Ų64.723%0.22536%0.361CS..Hα-helixtrans-74.9-38.3176.4-66.5174.4000111.8L121 S127 R128 E135 L139 L168L121-L125 HydrophobicContact CD1-CD1 4.12Å; L121-L125 HydrophobicContact CD1-CG 4.17Å; L121-L125 HydrophobicContact CG-CD1 3.94Å; L121-L125 HydrophobicContact CG-CG 4.37Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 3.44Å; L125-S127 PolarHBondContact O-N 2.82Å; L125-R128 PolarHBondContact O-N 3.29Å; L125-E135 WeakPolarHBondContact CD2-OE2 3.35Å; L125-L139 HydrophobicContact CD1-CD1 4.39Å; L125-L139 HydrophobicContact CD1-CD2 4.28Å; L125-L168 HydrophobicContact CD1-CD2 4.3Å
126G67.8Low70.4Confident71 Ų7171.1 Ų71.173%0.73239%0.389SS*.Hα-helixtrans-67.8-15.8178.300000114.6G122G122-G126 PolarHBondContact O-N 2.61Å
127S62.5Low69.8Low86 Ų8674.5 Ų74.560%0.60141%0.41SS*.THydrogen-bonded Turntrans-94-4.6-179.540.90000114.1Q123 L124 L125Q123-S127 PolarHBondContact O-N 3.41Å; Q123-S127 PolarHBondContact O-OG 3.24Å; L124-S127 PolarHBondContact O-OG 3.16Å; L124-S127 VanDerWaalsContact O-OG 3.05Å; L125-S127 PolarHBondContact O-N 2.82Å
128R54.4Low69.2Low146 Ų14675.2 Ų75.255%0.55141%0.414SS*.  trans-120128.1-179.6-85.7178.9162.9-178.1-5.3112.5L125 R130 E135L125-R128 PolarHBondContact O-N 3.29Å; R128-R130 PolarHBondContact O-N 3.03Å; R128-E135 IonicContact NH1-OE1 2.7Å; R128-E135 PolarHBondContact NH1-OE1 3.23Å
129P50.8Low69Low140 Ų14077 Ų7791%0.90942%0.423SS*.SBendtrans-73.4-4.7-178.726.1-31.1000114.9
130R46.4Very low69Low214 Ų21479.5 Ų79.581%0.80844%0.438SS*.SBendtrans-158.2121.5175.3-137.2172.9-175.3170.10.4109.9R128 P132R128-R130 PolarHBondContact O-N 3.03Å; R130-P132 WeakPolarHBondContact O-CD 3.48Å
131P47.8Very low69Low89 Ų8980.5 Ų80.558%0.57845%0.448SS*.  trans-71.9126.517827.1-30.8000109.7E135P131-E135 VanDerWaalsContact CA-OE2 3.29Å; P131-E135 WeakPolarHBondContact CA-OE2 3.49Å; P131-E135 HydrophobicContact CB-CB 4.35Å; P131-E135 WeakPolarHBondContact CB-OE2 3.34Å
132P50Low69.1Low48 Ų4880.7 Ų80.731%0.31245%0.449SS..  trans-59.9151.3166.822.2-33.5000111R130 V134 E135R130-P132 WeakPolarHBondContact O-CD 3.48Å; P132-V134 PolarHBondContact O-N 2.62Å; P132-E135 WeakPolarHBondContact CD-OE1 3.28Å; P132-E135 HydrophobicContact CG-CG 3.86Å; P132-E135 WeakPolarHBondContact CG-OE1 3.39Å; P132-E135 WeakPolarHBondContact O-CB 3.39Å; P132-E135 PolarHBondContact O-N 2.87Å
133P53.7Low69.5Low107 Ų10779.8 Ų79.870%0.69544%0.439SS*.Hα-helixtrans-57.2-26.7-178.421.4-32.4000113.2E135 Q136P133-E135 PolarHBondContact O-N 3.14Å; P133-Q136 PolarHBondContact O-N 2.94Å
134V54.9Low69.9Low101 Ų10179.6 Ų79.661%0.61244%0.438SS*.Hα-helixtrans-61.2-30.8175.2-175.90000112P132 Q136 V137 T138P132-V134 PolarHBondContact O-N 2.62Å; V134-Q136 VanDerWaalsContact C-N 3.31Å; V134-Q136 PolarHBondContact O-N 3.5Å; V134-V137 PolarHBondContact O-N 3.5Å; V134-T138 PolarHBondContact O-N 3.41Å; V134-T138 VanDerWaalsContact O-N 3.09Å; V134-T138 PolarHBondContact O-OG1 3.17Å
135E66.7Low70.3Confident11 Ų1180.7 Ų80.75%0.05144%0.444CS..Hα-helixtrans-68.3-28.2-179.3-77.6173.6-169.600112.8P95 L125 R128 P131 P132 P133 T138 L139P95-E135 HydrophobicContact CG-CG 4.23Å; L125-E135 WeakPolarHBondContact CD2-OE2 3.35Å; R128-E135 IonicContact NH1-OE1 2.7Å; R128-E135 PolarHBondContact NH1-OE1 3.23Å; P131-E135 VanDerWaalsContact CA-OE2 3.29Å; P131-E135 WeakPolarHBondContact CA-OE2 3.49Å; P131-E135 HydrophobicContact CB-CB 4.35Å; P131-E135 WeakPolarHBondContact CB-OE2 3.34Å; P132-E135 WeakPolarHBondContact CD-OE1 3.28Å; P132-E135 HydrophobicContact CG-CG 3.86Å; P132-E135 WeakPolarHBondContact CG-OE1 3.39Å; P132-E135 WeakPolarHBondContact O-CB 3.39Å; P132-E135 PolarHBondContact O-N 2.87Å; P133-E135 PolarHBondContact O-N 3.14Å; E135-T138 PolarHBondContact O-N 3.04Å; E135-L139 VanDerWaalsContact O-CB 3.3Å; E135-L139 WeakPolarHBondContact O-CB 3.3Å; E135-L139 VanDerWaalsContact O-CG 3.3Å; E135-L139 WeakPolarHBondContact O-CG 3.49Å; E135-L139 PolarHBondContact O-N 3.12Å
136Q71.1Confident70.9Confident147 Ų14778.7 Ų78.769%0.68743%0.433SS*.Hα-helixtrans-66-45.4174.6-94.8176.7-12.100112P133 V134 T138 L139 Q140P133-Q136 PolarHBondContact O-N 2.94Å; V134-Q136 VanDerWaalsContact C-N 3.31Å; V134-Q136 PolarHBondContact O-N 3.5Å; Q136-T138 VanDerWaalsContact C-N 3.28Å; Q136-T138 PolarHBondContact O-N 3.2Å; Q136-L139 PolarHBondContact O-N 3.01Å; Q136-Q140 WeakPolarHBondContact O-CB 3.14Å; Q136-Q140 PolarHBondContact O-N 3.15Å
137V76.9Confident72.1Confident82 Ų8277.2 Ų77.250%0.49741%0.408SS..Hα-helixtrans-60.5-44.2174.7-179.10000109.8V134 L139 Q140 D141V134-V137 PolarHBondContact O-N 3.5Å; V137-L139 VanDerWaalsContact C-N 3.34Å; V137-L139 PolarHBondContact O-N 3.19Å; V137-Q140 WeakPolarHBondContact O-CB 3.35Å; V137-Q140 PolarHBondContact O-N 2.87Å; V137-Q140 VanDerWaalsContact O-N 3.15Å; V137-D141 PolarHBondContact O-N 3.41Å
138T78.3Confident73.5Confident15 Ų1583.2 Ų83.29%0.09242%0.417CS..Hα-helixtrans-65-37.8-179.5-33.30000112.5P95 L99 V134 E135 Q136 L142P95-T138 VanDerWaalsContact C-CG2 3.45Å; P95-T138 HydrophobicContact CB-CG2 3.67Å; L99-T138 HydrophobicContact CD1-CG2 3.34Å; L99-T138 HydrophobicContact CG-CG2 4.1Å; V134-T138 PolarHBondContact O-N 3.41Å; V134-T138 VanDerWaalsContact O-N 3.09Å; V134-T138 PolarHBondContact O-OG1 3.17Å; E135-T138 PolarHBondContact O-N 3.04Å; Q136-T138 VanDerWaalsContact C-N 3.28Å; Q136-T138 PolarHBondContact O-N 3.2Å; T138-L142 WeakPolarHBondContact O-CB 3.36Å; T138-L142 PolarHBondContact O-N 3.42Å
139L81.9Confident75.3Confident37 Ų3778.7 Ų78.719%0.19440%0.404CS..Hα-helixtrans-65.2-42.5173.5-84.9163.3000111.3L121 L125 E135 Q136 V137 L142 S143 F170L121-L139 HydrophobicContact CD1-CD2 4.2Å; L121-L139 HydrophobicContact CD2-CD2 3.31Å; L121-L139 HydrophobicContact CG-CD2 4.12Å; L125-L139 HydrophobicContact CD1-CD1 4.39Å; L125-L139 HydrophobicContact CD1-CD2 4.28Å; E135-L139 VanDerWaalsContact O-CB 3.3Å; E135-L139 WeakPolarHBondContact O-CB 3.3Å; E135-L139 VanDerWaalsContact O-CG 3.3Å; E135-L139 WeakPolarHBondContact O-CG 3.49Å; E135-L139 PolarHBondContact O-N 3.12Å; Q136-L139 PolarHBondContact O-N 3.01Å; V137-L139 VanDerWaalsContact C-N 3.34Å; V137-L139 PolarHBondContact O-N 3.19Å; L139-L142 PolarHBondContact O-N 3.19Å; L139-S143 WeakPolarHBondContact O-CB 3.41Å; L139-S143 PolarHBondContact O-N 3.27Å; L139-F170 HydrophobicContact CD2-CE2 4.29Å; L139-F170 HydrophobicContact CD2-CZ 3.7Å
140Q86.3Confident77.1Confident123 Ų12372.1 Ų72.158%0.57536%0.361SS*.Hα-helixtrans-64.6-44.7178.5-162.7169.410.300110.8Q136 V137 L142 S143 Q144Q136-Q140 WeakPolarHBondContact O-CB 3.14Å; Q136-Q140 PolarHBondContact O-N 3.15Å; V137-Q140 WeakPolarHBondContact O-CB 3.35Å; V137-Q140 PolarHBondContact O-N 2.87Å; V137-Q140 VanDerWaalsContact O-N 3.15Å; Q140-L142 PolarHBondContact O-N 3.11Å; Q140-S143 WeakPolarHBondContact O-CB 3.46Å; Q140-S143 PolarHBondContact O-N 3.32Å; Q140-S143 PolarHBondContact O-OG 2.88Å; Q140-Q144 WeakPolarHBondContact O-CG 3.38Å; Q140-Q144 PolarHBondContact O-N 3.42Å
141D88.8Confident79.2Confident82 Ų8265.8 Ų65.844%0.43935%0.348SS..Hα-helixtrans-61.4-42.6174.9-70-22.8000112.1L99 V137 S143 Q144 L145L99-D141 HydrophobicContact CD1-CB 3.53Å; L99-D141 HydrophobicContact CD2-CB 3.99Å; L99-D141 HydrophobicContact CG-CB 4.43Å; V137-D141 PolarHBondContact O-N 3.41Å; D141-S143 VanDerWaalsContact C-N 3.32Å; D141-S143 PolarHBondContact O-N 3.35Å; D141-Q144 PolarHBondContact O-N 2.86Å; D141-L145 WeakPolarHBondContact O-CB 3.45Å; D141-L145 PolarHBondContact O-N 3.11Å
142L88.5Confident81.2Confident6 Ų665.3 Ų65.33%0.03135%0.347CS..Hα-helixtrans-66.4-39.8178.2-168.698.5000110.2L98 L99 L102 A117 L118 L121 T138 L139 Q140 L145 I146L98-L142 HydrophobicContact CB-CD1 4.43Å; L99-L142 HydrophobicContact CD2-CB 3.96Å; L99-L142 HydrophobicContact CD2-CD1 4Å; L99-L142 HydrophobicContact CG-CD1 4.46Å; L102-L142 HydrophobicContact CD1-CD1 3.9Å; A117-L142 HydrophobicContact CB-CD1 4.42Å; L118-L142 HydrophobicContact CD2-CD2 3.8Å; L118-L142 HydrophobicContact CG-CD2 4.49Å; L121-L142 HydrophobicContact CD2-CD2 3.65Å; T138-L142 WeakPolarHBondContact O-CB 3.36Å; T138-L142 PolarHBondContact O-N 3.42Å; L139-L142 PolarHBondContact O-N 3.19Å; Q140-L142 PolarHBondContact O-N 3.11Å; L142-L145 PolarHBondContact O-N 3.3Å; L142-I146 HydrophobicContact CD2-CD1 3.97Å; L142-I146 HydrophobicContact CG-CD1 4.11Å; L142-I146 VanDerWaalsContact O-CG1 3.26Å; L142-I146 WeakPolarHBondContact O-CG1 3.29Å; L142-I146 PolarHBondContact O-N 2.89Å
143S89.7Confident83.1Confident7 Ų763.3 Ų63.35%0.04933%0.333CS..Hα-helixtrans-61.8-45.8176.5810000111.2L139 Q140 D141 L145 I146 I147L139-S143 WeakPolarHBondContact O-CB 3.41Å; L139-S143 PolarHBondContact O-N 3.27Å; Q140-S143 WeakPolarHBondContact O-CB 3.46Å; Q140-S143 PolarHBondContact O-N 3.32Å; Q140-S143 PolarHBondContact O-OG 2.88Å; D141-S143 VanDerWaalsContact C-N 3.32Å; D141-S143 PolarHBondContact O-N 3.35Å; S143-L145 VanDerWaalsContact C-N 3.34Å; S143-L145 PolarHBondContact O-N 3.33Å; S143-I146 PolarHBondContact O-N 3.15Å; S143-I147 WeakPolarHBondContact O-CB 3.44Å; S143-I147 WeakPolarHBondContact O-CD1 3.3Å; S143-I147 WeakPolarHBondContact O-CG1 3.38Å; S143-I147 PolarHBondContact O-N 2.8Å
144Q92.1Very high84.6Confident98 Ų9862.3 Ų62.346%0.45832%0.322SS..Hα-helixtrans-64-39.7176.6-71.9-63.6-2400111.7Q140 D141 I146 I147 R148Q140-Q144 WeakPolarHBondContact O-CG 3.38Å; Q140-Q144 PolarHBondContact O-N 3.42Å; D141-Q144 PolarHBondContact O-N 2.86Å; Q144-I146 PolarHBondContact O-N 3.28Å; Q144-I147 PolarHBondContact O-N 3.47Å; Q144-R148 VanDerWaalsContact O-CB 3.3Å; Q144-R148 WeakPolarHBondContact O-CB 3.34Å; Q144-R148 PolarHBondContact O-N 2.95Å
145L90.7Very high86Confident42 Ų4261.6 Ų61.622%0.2231%0.314CS..Hα-helixtrans-62.7-42.4175.8-163.594.5000111.7L102 Y114 D141 L142 S143 N149L102-L145 HydrophobicContact CB-CD2 3.56Å; L102-L145 HydrophobicContact CD1-CD2 3.65Å; L102-L145 HydrophobicContact CG-CD2 4.21Å; Y114-L145 HydrophobicContact CD1-CD2 4.32Å; Y114-L145 HydrophobicContact CE1-CD2 3.57Å; Y114-L145 HydrophobicContact CE1-CG 4.01Å; D141-L145 WeakPolarHBondContact O-CB 3.45Å; D141-L145 PolarHBondContact O-N 3.11Å; L142-L145 PolarHBondContact O-N 3.3Å; S143-L145 VanDerWaalsContact C-N 3.34Å; S143-L145 PolarHBondContact O-N 3.33Å; L145-N149 PolarHBondContact O-N 3.41Å; L145-N149 PolarHBondContact O-ND2 3.48Å
146I90.6Very high86.7Confident1 Ų164.7 Ų64.71%0.00533%0.328CS..Hα-helixtrans-67.6-46.7176.6-66.4162.3000110.5Y114 L118 L142 S143 Q144 R148 N149 C150 F153 L176Y114-I146 HydrophobicContact CD1-CB 4.5Å; Y114-I146 HydrophobicContact CD1-CG1 3.65Å; Y114-I146 HydrophobicContact CG-CG1 4.31Å; L118-I146 HydrophobicContact CD1-CD1 3.89Å; L118-I146 HydrophobicContact CD2-CD1 3.69Å; L118-I146 HydrophobicContact CG-CD1 3.7Å; L142-I146 HydrophobicContact CD2-CD1 3.97Å; L142-I146 HydrophobicContact CG-CD1 4.11Å; L142-I146 VanDerWaalsContact O-CG1 3.26Å; L142-I146 WeakPolarHBondContact O-CG1 3.29Å; L142-I146 PolarHBondContact O-N 2.89Å; S143-I146 PolarHBondContact O-N 3.15Å; Q144-I146 PolarHBondContact O-N 3.28Å; I146-R148 VanDerWaalsContact C-N 3.33Å; I146-R148 PolarHBondContact O-N 3.27Å; I146-N149 CarbonylContact O-C 3.52Å; I146-N149 PolarHBondContact O-N 3.02Å; I146-N149 VanDerWaalsContact O-N 3.16Å; I146-C150 WeakPolarHBondContact O-CA 3.38Å; I146-C150 WeakPolarHBondContact O-CB 3.36Å; I146-C150 PolarHBondContact O-N 3.41Å; I146-F153 HydrophobicContact CG2-CE2 3.85Å; I146-F153 HydrophobicContact CG2-CZ 4.03Å; I146-L176 HydrophobicContact CB-CD1 3.8Å; I146-L176 HydrophobicContact CD1-CD1 4.47Å; I146-L176 HydrophobicContact CG2-CD1 3.53Å
147I92.2Very high87.6Confident40 Ų4058 Ų5821%0.20530%0.297CS..Hα-helixtrans-56.2-48.7178-68.3160.8000110.1S143 Q144 N149 C150 P175 L176 A179S143-I147 WeakPolarHBondContact O-CB 3.44Å; S143-I147 WeakPolarHBondContact O-CD1 3.3Å; S143-I147 WeakPolarHBondContact O-CG1 3.38Å; S143-I147 PolarHBondContact O-N 2.8Å; Q144-I147 PolarHBondContact O-N 3.47Å; I147-N149 PolarHBondContact O-N 3.32Å; I147-C150 VanDerWaalsContact O-CB 3.29Å; I147-C150 WeakPolarHBondContact O-CB 3.43Å; I147-C150 PolarHBondContact O-N 2.91Å; I147-P175 HydrophobicContact CD1-CB 3.92Å; I147-P175 HydrophobicContact CD1-CG 4.48Å; I147-L176 HydrophobicContact CD1-CB 4.34Å; I147-L176 HydrophobicContact CG1-CB 4.45Å; I147-L176 HydrophobicContact CG1-CD1 3.99Å; I147-A179 HydrophobicContact CB-CB 4.37Å; I147-A179 HydrophobicContact CG1-CB 3.93Å; I147-A179 HydrophobicContact CG2-CB 3.93Å
148R92.4Very high88Confident212 Ų21254 Ų5480%0.827%0.273SS*.Hα-helixtrans-59.6-32.9179.9-177.1176.9174.6-176.1-0.3113.4Q144 I146Q144-R148 VanDerWaalsContact O-CB 3.3Å; Q144-R148 WeakPolarHBondContact O-CB 3.34Å; Q144-R148 PolarHBondContact O-N 2.95Å; I146-R148 VanDerWaalsContact C-N 3.33Å; I146-R148 PolarHBondContact O-N 3.27Å
149N91.8Very high88.1Confident50 Ų5057.4 Ų57.427%0.26729%0.288SS..Hα-helixtrans-100.7-4.2-177.9-69.7-84.4000113.4Y114 L145 I146 I147 P151 S152 F153Y114-N149 HydrophobicContact CE1-CB 4.3Å; Y114-N149 HydrophobicContact CE2-CB 3.94Å; Y114-N149 WeakPolarHBondContact OH-CB 3.46Å; Y114-N149 PolarHBondContact OH-ND2 2.95Å; Y114-N149 PolarHBondContact OH-OD1 3.05Å; L145-N149 PolarHBondContact O-N 3.41Å; L145-N149 PolarHBondContact O-ND2 3.48Å; I146-N149 CarbonylContact O-C 3.52Å; I146-N149 PolarHBondContact O-N 3.02Å; I146-N149 VanDerWaalsContact O-N 3.16Å; I147-N149 PolarHBondContact O-N 3.32Å; N149-P151 VanDerWaalsContact C-N 3.32Å; N149-S152 WeakPolarHBondContact O-CB 3.45Å; N149-S152 PolarHBondContact O-N 3.21Å; N149-S152 PolarHBondContact O-OG 3.41Å; N149-F153 HydrophobicContact CB-CE1 4Å; N149-F153 VanDerWaalsContact O-CD1 3.28Å; N149-F153 WeakPolarHBondContact O-CD1 3.39Å; N149-F153 WeakPolarHBondContact O-CE1 3.41Å
150C89.3Confident88.1Confident2 Ų256.5 Ų56.51%0.01428%0.284CS..G310 helixtrans-53.3-39.4-176.9-163.90000113.7I146 I147 S152 F153 L180 E183I146-C150 WeakPolarHBondContact O-CA 3.38Å; I146-C150 WeakPolarHBondContact O-CB 3.36Å; I146-C150 PolarHBondContact O-N 3.41Å; I147-C150 VanDerWaalsContact O-CB 3.29Å; I147-C150 WeakPolarHBondContact O-CB 3.43Å; I147-C150 PolarHBondContact O-N 2.91Å; C150-S152 PolarHBondContact O-N 2.93Å; C150-S152 VanDerWaalsContact O-N 3.14Å; C150-F153 WeakPolarHBondContact O-CB 3.26Å; C150-F153 PolarHBondContact O-N 2.93Å; C150-L180 VanDerWaalsContact SG-CD2 3.54Å; C150-E183 HydrophobicContact CB-CG 4.32Å
151P89.6Confident88.1Confident81 Ų8150.6 Ų50.653%0.52626%0.256SS..G310 helixtrans-59.8-25.2176.3-25.835.9000114.2N149 F153 R187N149-P151 VanDerWaalsContact C-N 3.32Å; P151-F153 VanDerWaalsContact C-N 3.33Å; P151-R187 PolarHBondContact O-NH2 3.29Å
152S89Confident87.9Confident79 Ų7947.7 Ų47.755%0.55224%0.24SC*.G310 helixtrans-82.6-7.1178.574.70000114.1N149 C150N149-S152 WeakPolarHBondContact O-CB 3.45Å; N149-S152 PolarHBondContact O-N 3.21Å; N149-S152 PolarHBondContact O-OG 3.41Å; C150-S152 PolarHBondContact O-N 2.93Å; C150-S152 VanDerWaalsContact O-N 3.14Å
153F90.2Very high87.3Confident7 Ų752.9 Ų52.93%0.03126%0.264CS..SBendtrans-72.6162-175.4-69.87.1000110.7A111 Y114 I146 N149 C150 P151 T157 I158 L180 R187A111-F153 HydrophobicContact CB-CB 4.23Å; A111-F153 HydrophobicContact CB-CD1 3.56Å; A111-F153 HydrophobicContact CB-CE1 4.24Å; A111-F153 HydrophobicContact CB-CG 4.06Å; Y114-F153 HydrophobicContact CD1-CZ 4.22Å; Y114-F153 HydrophobicContact CD2-CD1 4.45Å; Y114-F153 AromaticContact CD2-CE1 3.3Å; Y114-F153 HydrophobicContact CD2-CE1 3.3Å; Y114-F153 AromaticContact CD2-CZ 3.38Å; Y114-F153 HydrophobicContact CD2-CZ 3.38Å; Y114-F153 AromaticContact CE2-CE1 3.66Å; Y114-F153 HydrophobicContact CE2-CE1 3.66Å; Y114-F153 HydrophobicContact CE2-CZ 4.06Å; Y114-F153 AromaticContact CG-CE1 3.94Å; Y114-F153 HydrophobicContact CG-CE1 3.94Å; Y114-F153 AromaticContact CG-CZ 3.48Å; Y114-F153 HydrophobicContact CG-CZ 3.48Å; Y114-F153 VanDerWaalsContact CG-CZ 3.48Å; I146-F153 HydrophobicContact CG2-CE2 3.85Å; I146-F153 HydrophobicContact CG2-CZ 4.03Å; N149-F153 HydrophobicContact CB-CE1 4Å; N149-F153 VanDerWaalsContact O-CD1 3.28Å; N149-F153 WeakPolarHBondContact O-CD1 3.39Å; N149-F153 WeakPolarHBondContact O-CE1 3.41Å; C150-F153 WeakPolarHBondContact O-CB 3.26Å; C150-F153 PolarHBondContact O-N 2.93Å; P151-F153 VanDerWaalsContact C-N 3.33Å; F153-T157 HydrophobicContact CB-CG2 4.15Å; F153-T157 HydrophobicContact CD1-CG2 4.47Å; F153-T157 HydrophobicContact CD2-CG2 3.66Å; F153-T157 HydrophobicContact CE2-CG2 4.14Å; F153-T157 HydrophobicContact CG-CG2 3.84Å; F153-I158 HydrophobicContact CB-CD1 4.41Å; F153-I158 HydrophobicContact CB-CG1 3.8Å; F153-I158 HydrophobicContact CD2-CG1 4.38Å; F153-L180 HydrophobicContact CD2-CD2 4.45Å; F153-R187 PolarHBondContact O-NH1 2.81Å; F153-R187 PolarHBondContact O-NH2 3.38Å
154D85.7Confident86.9Confident86 Ų8653.6 Ų53.646%0.4627%0.267SS..  trans-91166.8162.860.737.3000110H156 T157 I158D154-H156 PolarHBondContact O-N 3.04Å; D154-H156 PolarHBondContact OD1-N 3.21Å; D154-T157 PolarHBondContact O-N 3.02Å; D154-T157 VanDerWaalsContact OD1-CB 3.23Å; D154-T157 WeakPolarHBondContact OD1-CB 3.32Å; D154-T157 PolarHBondContact OD1-N 3.12Å; D154-T157 PolarHBondContact OD1-OG1 2.85Å; D154-I158 WeakPolarHBondContact O-CG1 3.37Å; D154-I158 PolarHBondContact O-N 3.4Å
155I83.5Confident86.4Confident85 Ų8548.9 Ų48.944%0.43625%0.246SC..Hα-helixtrans-61.2-28.2-177.8-161165.8000112.2H159I155-H159 PolarHBondContact O-N 3Å; I155-H159 PolarHBondContact O-ND1 2.85Å
156H83.2Confident85.6Confident76 Ų7651 Ų5135%0.35226%0.26SS..Hα-helixtrans-71-46178.1-177.821.4000111.1P56 D154 I158 H159 V160P56-H156 WeakPolarHBondContact CB-CE1 3.38Å; P56-H156 WeakPolarHBondContact CG-CE1 3.49Å; P56-H156 WeakPolarHBondContact CG-ND1 3.46Å; D154-H156 PolarHBondContact O-N 3.04Å; D154-H156 PolarHBondContact OD1-N 3.21Å; H156-I158 VanDerWaalsContact C-N 3.32Å; H156-I158 PolarHBondContact O-N 3.1Å; H156-H159 PolarHBondContact O-N 2.8Å; H156-V160 WeakPolarHBondContact CE1-CG2 3.45Å; H156-V160 WeakPolarHBondContact O-CG2 3.35Å; H156-V160 PolarHBondContact O-N 3.1Å
157T88Confident84.6Confident6 Ų656.6 Ų56.64%0.03729%0.289CS..Hα-helixtrans-62.2-41.2178.7-56.90000110.5A111 F153 D154 H159 V160 C161A111-T157 HydrophobicContact CB-CG2 4.03Å; A111-T157 VanDerWaalsContact O-CG2 3.29Å; A111-T157 WeakPolarHBondContact O-CG2 3.42Å; F153-T157 HydrophobicContact CB-CG2 4.15Å; F153-T157 HydrophobicContact CD1-CG2 4.47Å; F153-T157 HydrophobicContact CD2-CG2 3.66Å; F153-T157 HydrophobicContact CE2-CG2 4.14Å; F153-T157 HydrophobicContact CG-CG2 3.84Å; D154-T157 PolarHBondContact O-N 3.02Å; D154-T157 VanDerWaalsContact OD1-CB 3.23Å; D154-T157 WeakPolarHBondContact OD1-CB 3.32Å; D154-T157 PolarHBondContact OD1-N 3.12Å; D154-T157 PolarHBondContact OD1-OG1 2.85Å; T157-H159 PolarHBondContact O-N 3.29Å; T157-V160 PolarHBondContact O-N 3.08Å; T157-C161 WeakPolarHBondContact O-CB 3.4Å; T157-C161 PolarHBondContact O-N 3.31Å; T157-C161 PolarHBondContact O-SG 3.44Å
158I86Confident83.9Confident0 Ų056.7 Ų56.70%029%0.29CS..Hα-helixtrans-58.1-49.9174-67.6168.3000110.4F153 D154 H156 V160 C161 L162 L180 E183 R184F153-I158 HydrophobicContact CB-CD1 4.41Å; F153-I158 HydrophobicContact CB-CG1 3.8Å; F153-I158 HydrophobicContact CD2-CG1 4.38Å; D154-I158 WeakPolarHBondContact O-CG1 3.37Å; D154-I158 PolarHBondContact O-N 3.4Å; H156-I158 VanDerWaalsContact C-N 3.32Å; H156-I158 PolarHBondContact O-N 3.1Å; I158-V160 VanDerWaalsContact C-N 3.35Å; I158-V160 PolarHBondContact O-N 3.03Å; I158-C161 PolarHBondContact O-N 3.32Å; I158-L162 VanDerWaalsContact O-CB 3.3Å; I158-L162 WeakPolarHBondContact O-CB 3.29Å; I158-L162 PolarHBondContact O-N 2.56Å; I158-L180 HydrophobicContact CG2-CD2 4.19Å; I158-L180 WeakPolarHBondContact CG2-O 3.47Å; I158-E183 HydrophobicContact CD1-CB 3.86Å; I158-R184 HydrophobicContact CG2-CB 4.02Å
159H81.3Confident83.1Confident85 Ų8549.6 Ų49.639%0.39428%0.283SS..Hα-helixtrans-61.4-41.4179.1-71.4129.4000112.8I155 H156 T157 H163I155-H159 PolarHBondContact O-N 3Å; I155-H159 PolarHBondContact O-ND1 2.85Å; H156-H159 PolarHBondContact O-N 2.8Å; T157-H159 PolarHBondContact O-N 3.29Å; H159-H163 WeakPolarHBondContact O-CB 3.41Å; H159-H163 PolarHBondContact O-N 3.31Å
160V81.3Confident82.6Confident18 Ų1849 Ų4911%0.10928%0.278CS..Hα-helixtrans-67-44.7178.3176.40000110.7V58 H156 T157 I158 H163 L164V58-V160 HydrophobicContact CG2-CG1 4.5Å; H156-V160 WeakPolarHBondContact CE1-CG2 3.45Å; H156-V160 WeakPolarHBondContact O-CG2 3.35Å; H156-V160 PolarHBondContact O-N 3.1Å; T157-V160 PolarHBondContact O-N 3.08Å; I158-V160 VanDerWaalsContact C-N 3.35Å; I158-V160 PolarHBondContact O-N 3.03Å; V160-H163 PolarHBondContact O-N 3.09Å; V160-L164 HydrophobicContact CG1-CD1 3.76Å; V160-L164 HydrophobicContact CG1-CG 4.29Å; V160-L164 WeakPolarHBondContact O-CB 3.39Å; V160-L164 VanDerWaalsContact O-CG 3.26Å; V160-L164 WeakPolarHBondContact O-CG 3.37Å; V160-L164 PolarHBondContact O-N 3.21Å
161C86.1Confident82Confident0 Ų052.4 Ų52.40%030%0.3CS..Hα-helixtrans-65.2-41.4178.4-65.70000111.7L118 T157 I158 H163 L164 A165 L180L118-C161 HydrophobicContact CD1-CB 3.89Å; T157-C161 WeakPolarHBondContact O-CB 3.4Å; T157-C161 PolarHBondContact O-N 3.31Å; T157-C161 PolarHBondContact O-SG 3.44Å; I158-C161 PolarHBondContact O-N 3.32Å; C161-H163 PolarHBondContact O-N 2.89Å; C161-L164 PolarHBondContact O-N 2.69Å; C161-A165 VanDerWaalsContact O-CB 3.26Å; C161-A165 WeakPolarHBondContact O-CB 3.44Å; C161-A165 PolarHBondContact O-N 3.17Å; C161-L180 HydrophobicContact CB-CD1 3.91Å; C161-L180 HydrophobicContact CB-CD2 3.82Å
162L85.5Confident81.3Confident20 Ų2053.1 Ų53.111%0.10531%0.307CS..Hα-helixtrans-61.1-45.8176.2-167.183.5000110.8I158 A165 V166 V177 L180 E181I158-L162 VanDerWaalsContact O-CB 3.3Å; I158-L162 WeakPolarHBondContact O-CB 3.29Å; I158-L162 PolarHBondContact O-N 2.56Å; L162-A165 PolarHBondContact O-N 2.89Å; L162-V166 WeakPolarHBondContact O-CG2 3.36Å; L162-V166 PolarHBondContact O-N 2.73Å; L162-V166 VanDerWaalsContact O-N 3.07Å; L162-V177 HydrophobicContact CD1-CG1 4.01Å; L162-L180 HydrophobicContact CB-CB 4.46Å; L162-L180 HydrophobicContact CD1-CB 3.58Å; L162-L180 HydrophobicContact CD1-CD1 4.46Å; L162-E181 HydrophobicContact CD1-CG 3.73Å; L162-E181 HydrophobicContact CD2-CG 4.47Å
163H75.3Confident81Confident115 Ų11556 Ų5653%0.53232%0.316SS..Hα-helixtrans-63.7-45.1177.5-178.363.1000112.3H159 V160 C161 A165 V166 L167H159-H163 WeakPolarHBondContact O-CB 3.41Å; H159-H163 PolarHBondContact O-N 3.31Å; V160-H163 PolarHBondContact O-N 3.09Å; C161-H163 PolarHBondContact O-N 2.89Å; H163-A165 VanDerWaalsContact C-N 3.35Å; H163-V166 PolarHBondContact O-N 3.28Å; H163-L167 VanDerWaalsContact NE2-CD1 3.34Å; H163-L167 WeakPolarHBondContact NE2-CD1 3.45Å; H163-L167 WeakPolarHBondContact O-CG 3.36Å; H163-L167 PolarHBondContact O-N 2.92Å
164L82.2Confident80.8Confident22 Ų2256 Ų5612%0.11532%0.318CS..Hα-helixtrans-64.9-38.6176.9-70.6171.9000111.7S115 L118 R119 V160 C161 L167 L168S115-L164 VanDerWaalsContact O-CD1 3.31Å; S115-L164 WeakPolarHBondContact O-CD1 3.32Å; L118-L164 HydrophobicContact CB-CB 4.03Å; L118-L164 HydrophobicContact CB-CD1 3.85Å; L118-L164 HydrophobicContact CD1-CB 4.17Å; R119-L164 HydrophobicContact CB-CD1 4.36Å; V160-L164 HydrophobicContact CG1-CD1 3.76Å; V160-L164 HydrophobicContact CG1-CG 4.29Å; V160-L164 WeakPolarHBondContact O-CB 3.39Å; V160-L164 VanDerWaalsContact O-CG 3.26Å; V160-L164 WeakPolarHBondContact O-CG 3.37Å; V160-L164 PolarHBondContact O-N 3.21Å; C161-L164 PolarHBondContact O-N 2.69Å; L164-L167 PolarHBondContact O-N 3.08Å; L164-L168 VanDerWaalsContact O-CB 3.28Å; L164-L168 WeakPolarHBondContact O-CB 3.26Å; L164-L168 WeakPolarHBondContact O-CD1 3.21Å; L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 3.11Å
165A81Confident81.1Confident0 Ų055.9 Ų55.90%032%0.322CS..Hα-helixtrans-61-45.3176.200000111.3C161 L162 H163 L168 G169 F170 L176 V177C161-A165 VanDerWaalsContact O-CB 3.26Å; C161-A165 WeakPolarHBondContact O-CB 3.44Å; C161-A165 PolarHBondContact O-N 3.17Å; L162-A165 PolarHBondContact O-N 2.89Å; H163-A165 VanDerWaalsContact C-N 3.35Å; A165-L168 PolarHBondContact O-N 3.45Å; A165-G169 PolarHBondContact O-N 2.71Å; A165-F170 HydrophobicContact CB-CB 4.25Å; A165-F170 HydrophobicContact CB-CD2 4.07Å; A165-F170 HydrophobicContact CB-CG 4.38Å; A165-F170 WeakPolarHBondContact O-CB 3.4Å; A165-F170 WeakPolarHBondContact O-CD2 3.5Å; A165-F170 PolarHBondContact O-N 3.16Å; A165-L176 HydrophobicContact CB-CD2 4.07Å; A165-L176 HydrophobicContact CB-CG 4.48Å; A165-V177 HydrophobicContact CB-CG2 4.23Å
166V73.5Confident81.4Confident86 Ų8652 Ų5252%0.52130%0.302SS..Hα-helixtrans-63.8-44.1175.8174.30000111.4L162 H163 L168 G169L162-V166 WeakPolarHBondContact O-CG2 3.36Å; L162-V166 PolarHBondContact O-N 2.73Å; L162-V166 VanDerWaalsContact O-N 3.07Å; H163-V166 PolarHBondContact O-N 3.28Å; V166-L168 VanDerWaalsContact C-N 3.26Å; V166-L168 PolarHBondContact O-N 3.24Å; V166-G169 PolarHBondContact O-N 3.19Å
167L69.8Low81.5Confident119 Ų11948.6 Ų48.662%0.62329%0.287SS*.Hα-helixtrans-63.7-31.3177.5-76177.5000113.4H163 L164 G169H163-L167 VanDerWaalsContact NE2-CD1 3.34Å; H163-L167 WeakPolarHBondContact NE2-CD1 3.45Å; H163-L167 WeakPolarHBondContact O-CG 3.36Å; H163-L167 PolarHBondContact O-N 2.92Å; L164-L167 PolarHBondContact O-N 3.08Å; L167-G169 PolarHBondContact O-N 2.93Å
168L78.1Confident81.6Confident42 Ų4251 Ų5122%0.2230%0.303CS..THydrogen-bonded Turntrans-79-4.6175.9-74.2171.2000113.1L118 L121 L125 L164 A165 V166 F170L118-L168 HydrophobicContact CB-CD1 4.29Å; L118-L168 HydrophobicContact CD2-CD1 3.82Å; L121-L168 HydrophobicContact CD2-CD1 4.26Å; L125-L168 HydrophobicContact CD1-CD2 4.3Å; L164-L168 VanDerWaalsContact O-CB 3.28Å; L164-L168 WeakPolarHBondContact O-CB 3.26Å; L164-L168 WeakPolarHBondContact O-CD1 3.21Å; L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 3.11Å; A165-L168 PolarHBondContact O-N 3.45Å; V166-L168 VanDerWaalsContact C-N 3.26Å; V166-L168 PolarHBondContact O-N 3.24Å; L168-F170 HydrophobicContact CB-CD2 3.79Å; L168-F170 HydrophobicContact CB-CE2 3.88Å; L168-F170 HydrophobicContact CD1-CE2 3.98Å
169G74.6Confident81.9Confident63 Ų6351.9 Ų51.965%0.64931%0.31SS*.THydrogen-bonded Turntrans78.821.8179.700000114.3A165 V166 L167A165-G169 PolarHBondContact O-N 2.71Å; V166-G169 PolarHBondContact O-N 3.19Å; L167-G169 PolarHBondContact O-N 2.93Å
170F80.9Confident82.4Confident37 Ų3747.9 Ų47.916%0.16229%0.292CS..  trans-62.3134168.8-75.6-90.6000109.3L118 L139 A165 L168 L176 V177L118-F170 HydrophobicContact CD2-CE2 4.43Å; L139-F170 HydrophobicContact CD2-CE2 4.29Å; L139-F170 HydrophobicContact CD2-CZ 3.7Å; A165-F170 HydrophobicContact CB-CB 4.25Å; A165-F170 HydrophobicContact CB-CD2 4.07Å; A165-F170 HydrophobicContact CB-CG 4.38Å; A165-F170 WeakPolarHBondContact O-CB 3.4Å; A165-F170 WeakPolarHBondContact O-CD2 3.5Å; A165-F170 PolarHBondContact O-N 3.16Å; L168-F170 HydrophobicContact CB-CD2 3.79Å; L168-F170 HydrophobicContact CB-CE2 3.88Å; L168-F170 HydrophobicContact CD1-CE2 3.98Å; F170-L176 HydrophobicContact CD1-CB 4.46Å; F170-L176 HydrophobicContact CD1-CD2 3.89Å; F170-L176 HydrophobicContact CD2-CD2 4.17Å; F170-L176 HydrophobicContact CE1-CD2 3.84Å; F170-L176 HydrophobicContact CE2-CD2 4.11Å; F170-L176 HydrophobicContact CG-CD2 4.05Å; F170-L176 HydrophobicContact CZ-CD2 3.94Å; F170-V177 HydrophobicContact CB-CG2 4.07Å
171P77.7Confident82.6Confident74 Ų7449.7 Ų49.748%0.48130%0.299SS..  trans-61.7140.9-178.320.6-27.7000110.6D173 G174 V177P171-D173 WeakPolarHBondContact CB-OD1 3.32Å; P171-D173 PolarHBondContact O-N 2.82Å; P171-G174 WeakPolarHBondContact O-CA 3.48Å; P171-G174 PolarHBondContact O-N 3.01Å; P171-V177 WeakPolarHBondContact O-CG2 3.48Å
172S74.9Confident82.8Confident95 Ų9555.7 Ų55.766%0.66433%0.327SS*.THydrogen-bonded Turntrans-61.8-31.1-176.3-51.90000113V177S172-V177 WeakPolarHBondContact O-CG1 3.49Å
173D82.6Confident82.9Confident139 Ų13956.4 Ų56.474%0.74333%0.33SS*.THydrogen-bonded Turntrans-92.63.5173.757.5-31000112.8P171P171-D173 WeakPolarHBondContact CB-OD1 3.32Å; P171-D173 PolarHBondContact O-N 2.82Å
174G85.2Confident83.2Confident7 Ų754.4 Ų54.47%0.07232%0.318CS..SBendtrans-71153.5176.100000113P171 L176 V177 C178P171-G174 WeakPolarHBondContact O-CA 3.48Å; P171-G174 PolarHBondContact O-N 3.01Å; G174-L176 VanDerWaalsContact C-N 3.25Å; G174-L176 PolarHBondContact O-N 3.21Å; G174-L176 VanDerWaalsContact O-N 3.12Å; G174-V177 PolarHBondContact O-N 2.69Å; G174-V177 VanDerWaalsContact O-N 3.15Å; G174-C178 PolarHBondContact O-N 2.7Å; G174-C178 PolarHBondContact O-SG 2.64Å; G174-C178 VanDerWaalsContact O-SG 3.39Å
175P91.6Very high83.2Confident85 Ų8561 Ų6155%0.55234%0.341SS*.Hα-helixtrans-59-33.6-172.623.4-34.4000113.5I147 A179I147-P175 HydrophobicContact CD1-CB 3.92Å; I147-P175 HydrophobicContact CD1-CG 4.48Å; P175-A179 VanDerWaalsContact O-CB 3.3Å; P175-A179 WeakPolarHBondContact O-CB 3.34Å; P175-A179 PolarHBondContact O-N 2.9Å
176L90.4Very high83.2Confident3 Ų366.8 Ų66.82%0.01637%0.372CS..Hα-helixtrans-68.3-47.6178.7179.358.8000112.6I146 I147 A165 F170 G174 A179 L180I146-L176 HydrophobicContact CB-CD1 3.8Å; I146-L176 HydrophobicContact CD1-CD1 4.47Å; I146-L176 HydrophobicContact CG2-CD1 3.53Å; I147-L176 HydrophobicContact CD1-CB 4.34Å; I147-L176 HydrophobicContact CG1-CB 4.45Å; I147-L176 HydrophobicContact CG1-CD1 3.99Å; A165-L176 HydrophobicContact CB-CD2 4.07Å; A165-L176 HydrophobicContact CB-CG 4.48Å; F170-L176 HydrophobicContact CD1-CB 4.46Å; F170-L176 HydrophobicContact CD1-CD2 3.89Å; F170-L176 HydrophobicContact CD2-CD2 4.17Å; F170-L176 HydrophobicContact CE1-CD2 3.84Å; F170-L176 HydrophobicContact CE2-CD2 4.11Å; F170-L176 HydrophobicContact CG-CD2 4.05Å; F170-L176 HydrophobicContact CZ-CD2 3.94Å; G174-L176 VanDerWaalsContact C-N 3.25Å; G174-L176 PolarHBondContact O-N 3.21Å; G174-L176 VanDerWaalsContact O-N 3.12Å; L176-A179 PolarHBondContact O-N 3.23Å; L176-L180 HydrophobicContact CD1-CD1 3.89Å; L176-L180 HydrophobicContact CD1-CG 4.43Å; L176-L180 HydrophobicContact CG-CD1 4.07Å; L176-L180 WeakPolarHBondContact O-CG 3.37Å; L176-L180 PolarHBondContact O-N 3.22Å; L176-L180 VanDerWaalsContact O-N 3.11Å
177V86.4Confident83.4Confident4 Ų466.4 Ų66.42%0.02436%0.361CS..Hα-helixtrans-67.8-45.2-178.8-179.70000109.2L162 A165 F170 P171 S172 G174 A179 L180 E181L162-V177 HydrophobicContact CD1-CG1 4.01Å; A165-V177 HydrophobicContact CB-CG2 4.23Å; F170-V177 HydrophobicContact CB-CG2 4.07Å; P171-V177 WeakPolarHBondContact O-CG2 3.48Å; S172-V177 WeakPolarHBondContact O-CG1 3.49Å; G174-V177 PolarHBondContact O-N 2.69Å; G174-V177 VanDerWaalsContact O-N 3.15Å; V177-A179 PolarHBondContact O-N 3.45Å; V177-L180 PolarHBondContact O-N 2.94Å; V177-E181 HydrophobicContact CG1-CG 4.31Å; V177-E181 WeakPolarHBondContact O-CB 3.29Å; V177-E181 WeakPolarHBondContact O-CG 3.08Å; V177-E181 PolarHBondContact O-N 3.46Å
178C90.1Very high83.1Confident57 Ų5765.1 Ų65.139%0.38535%0.354SS..Hα-helixtrans-57-45.8175.9-67.40000112.7G174 E181 Q182G174-C178 PolarHBondContact O-N 2.7Å; G174-C178 PolarHBondContact O-SG 2.64Å; G174-C178 VanDerWaalsContact O-SG 3.39Å; C178-E181 PolarHBondContact O-N 3.19Å; C178-Q182 WeakPolarHBondContact O-CB 3.3Å; C178-Q182 PolarHBondContact O-N 2.87Å
179A92.6Very high81.9Confident18 Ų1867.9 Ų67.915%0.14938%0.375CS..Hα-helixtrans-64.3-44.8179.100000112.6I147 P175 L176 V177 Q182 E183I147-A179 HydrophobicContact CB-CB 4.37Å; I147-A179 HydrophobicContact CG1-CB 3.93Å; I147-A179 HydrophobicContact CG2-CB 3.93Å; P175-A179 VanDerWaalsContact O-CB 3.3Å; P175-A179 WeakPolarHBondContact O-CB 3.34Å; P175-A179 PolarHBondContact O-N 2.9Å; L176-A179 PolarHBondContact O-N 3.23Å; V177-A179 PolarHBondContact O-N 3.45Å; A179-Q182 PolarHBondContact O-N 3.25Å; A179-E183 PolarHBondContact O-N 2.88Å
180L89.8Confident80.7Confident1 Ų171.7 Ų71.71%0.00539%0.388CS..Hα-helixtrans-64.5-39.3177-76163.6000111.8C150 F153 I158 C161 L162 L176 V177 R184C150-L180 VanDerWaalsContact SG-CD2 3.54Å; F153-L180 HydrophobicContact CD2-CD2 4.45Å; I158-L180 HydrophobicContact CG2-CD2 4.19Å; I158-L180 WeakPolarHBondContact CG2-O 3.47Å; C161-L180 HydrophobicContact CB-CD1 3.91Å; C161-L180 HydrophobicContact CB-CD2 3.82Å; L162-L180 HydrophobicContact CB-CB 4.46Å; L162-L180 HydrophobicContact CD1-CB 3.58Å; L162-L180 HydrophobicContact CD1-CD1 4.46Å; L176-L180 HydrophobicContact CD1-CD1 3.89Å; L176-L180 HydrophobicContact CD1-CG 4.43Å; L176-L180 HydrophobicContact CG-CD1 4.07Å; L176-L180 WeakPolarHBondContact O-CG 3.37Å; L176-L180 PolarHBondContact O-N 3.22Å; L176-L180 VanDerWaalsContact O-N 3.11Å; V177-L180 PolarHBondContact O-N 2.94Å; L180-R184 WeakPolarHBondContact O-CB 3.4Å; L180-R184 PolarHBondContact O-N 3.03Å
181E86.5Confident78.6Confident57 Ų5777.7 Ų77.727%0.26641%0.414SS..Hα-helixtrans-66.2-40.8174.6-74.7-153158.900112.5L162 V177 C178 R184 R185L162-E181 HydrophobicContact CD1-CG 3.73Å; L162-E181 HydrophobicContact CD2-CG 4.47Å; V177-E181 HydrophobicContact CG1-CG 4.31Å; V177-E181 WeakPolarHBondContact O-CB 3.29Å; V177-E181 WeakPolarHBondContact O-CG 3.08Å; V177-E181 PolarHBondContact O-N 3.46Å; C178-E181 PolarHBondContact O-N 3.19Å; E181-R184 WeakPolarHBondContact O-CB 3.23Å; E181-R184 PolarHBondContact O-N 3.17Å; E181-R185 VanDerWaalsContact O-CG 3.31Å; E181-R185 WeakPolarHBondContact O-CG 3.36Å; E181-R185 PolarHBondContact O-N 3.32Å; E181-R185 IonicContact OE2-NH2 3.4Å; E181-R185 PolarHBondContact OE2-NH2 3.46Å
182Q89.6Confident76.9Confident126 Ų12679.3 Ų79.359%0.58942%0.424SS*.Hα-helixtrans-63.1-46.9177.9-172.3173.77.600110.9C178 A179 R184 R185 L186C178-Q182 WeakPolarHBondContact O-CB 3.3Å; C178-Q182 PolarHBondContact O-N 2.87Å; A179-Q182 PolarHBondContact O-N 3.25Å; Q182-R184 VanDerWaalsContact C-N 3.32Å; Q182-R184 PolarHBondContact O-N 2.89Å; Q182-R185 WeakPolarHBondContact O-CB 3.49Å; Q182-R185 PolarHBondContact O-N 3.36Å; Q182-R185 VanDerWaalsContact O-N 3.09Å; Q182-L186 HydrophobicContact CG-CD1 4.33Å; Q182-L186 WeakPolarHBondContact O-CG 3.37Å; Q182-L186 PolarHBondContact O-N 3.48Å
183E87.4Confident75.4Confident35 Ų3578.4 Ų78.416%0.16442%0.416CS..Hα-helixtrans-61.3-38.5173.6-84.8-65.1145.900112.4C150 I158 A179 R185 L186 R187C150-E183 HydrophobicContact CB-CG 4.32Å; I158-E183 HydrophobicContact CD1-CB 3.86Å; A179-E183 PolarHBondContact O-N 2.88Å; E183-R185 VanDerWaalsContact C-N 3.33Å; E183-R185 PolarHBondContact O-N 3.37Å; E183-L186 PolarHBondContact O-N 3.32Å; E183-R187 WeakPolarHBondContact O-CD 3.31Å; E183-R187 VanDerWaalsContact O-CG 3.26Å; E183-R187 WeakPolarHBondContact O-CG 3.22Å; E183-R187 PolarHBondContact O-N 2.84Å; E183-R187 IonicContact OE2-CZ 3.73Å; E183-R187 IonicContact OE2-NE 3.73Å; E183-R187 PolarHBondContact OE2-NE 2.92Å; E183-R187 IonicContact OE2-NH2 3.32Å; E183-R187 PolarHBondContact OE2-NH2 3.5Å
184R83.5Confident73.3Confident73 Ų7376 Ų7628%0.27541%0.408SS..Hα-helixtrans-61.4-41.8172.8-166.9-171.673.2-171.8-1.7111.5I158 L180 E181 Q182 R187 L188I158-R184 HydrophobicContact CG2-CB 4.02Å; L180-R184 WeakPolarHBondContact O-CB 3.4Å; L180-R184 PolarHBondContact O-N 3.03Å; E181-R184 WeakPolarHBondContact O-CB 3.23Å; E181-R184 PolarHBondContact O-N 3.17Å; Q182-R184 VanDerWaalsContact C-N 3.32Å; Q182-R184 PolarHBondContact O-N 2.89Å; R184-R187 PolarHBondContact O-N 2.95Å; R184-L188 WeakPolarHBondContact O-CG 3.26Å; R184-L188 PolarHBondContact O-N 3.38Å
185R81Confident71.2Confident161 Ų16180 Ų8061%0.60843%0.433SS*.Hα-helixtrans-67.2-41.8178.7-72.5177.9-162.3-150.97112.2E181 Q182 E183 R187 L188E181-R185 VanDerWaalsContact O-CG 3.31Å; E181-R185 WeakPolarHBondContact O-CG 3.36Å; E181-R185 PolarHBondContact O-N 3.32Å; E181-R185 IonicContact OE2-NH2 3.4Å; E181-R185 PolarHBondContact OE2-NH2 3.46Å; Q182-R185 WeakPolarHBondContact O-CB 3.49Å; Q182-R185 PolarHBondContact O-N 3.36Å; Q182-R185 VanDerWaalsContact O-N 3.09Å; E183-R185 VanDerWaalsContact C-N 3.33Å; E183-R185 PolarHBondContact O-N 3.37Å; R185-R187 PolarHBondContact O-N 3.24Å; R185-L188 PolarHBondContact O-N 3.01Å
186L81.3Confident69.1Low121 Ų12179.3 Ų79.363%0.63442%0.424SS*.Hα-helixtrans-63-26.9177.8-71169.5000113Q182 E183Q182-L186 HydrophobicContact CG-CD1 4.33Å; Q182-L186 WeakPolarHBondContact O-CG 3.37Å; Q182-L186 PolarHBondContact O-N 3.48Å; E183-L186 PolarHBondContact O-N 3.32Å
187R78.5Confident67Low77 Ų7785.2 Ų85.229%0.29145%0.452SS..THydrogen-bonded Turntrans-98.2-7.1-178.5-61.8168-174.7-143.60.2113.9P151 F153 E183 R184 R185P151-R187 PolarHBondContact O-NH2 3.29Å; F153-R187 PolarHBondContact O-NH1 2.81Å; F153-R187 PolarHBondContact O-NH2 3.38Å; E183-R187 WeakPolarHBondContact O-CD 3.31Å; E183-R187 VanDerWaalsContact O-CG 3.26Å; E183-R187 WeakPolarHBondContact O-CG 3.22Å; E183-R187 PolarHBondContact O-N 2.84Å; E183-R187 IonicContact OE2-CZ 3.73Å; E183-R187 IonicContact OE2-NE 3.73Å; E183-R187 PolarHBondContact OE2-NE 2.92Å; E183-R187 IonicContact OE2-NH2 3.32Å; E183-R187 PolarHBondContact OE2-NH2 3.5Å; R184-R187 PolarHBondContact O-N 2.95Å; R185-R187 PolarHBondContact O-N 3.24Å
188L61.7Low65.1Low93 Ų9390 Ų9049%0.48748%0.483SS..SBendtrans-66.8136.8166.1-81.6156.2000107.5R184 R185R184-L188 WeakPolarHBondContact O-CG 3.26Å; R184-L188 PolarHBondContact O-N 3.38Å; R185-L188 PolarHBondContact O-N 3.01Å
189P54.3Low63Low100 Ų10092.8 Ų92.865%0.64949%0.493SS*.  trans-54132.4178.620.6-30.7000109.5K191P189-K191 PolarHBondContact O-N 2.86Å
190P49.8Very low61.2Low142 Ų14292.8 Ų92.892%0.92249%0.49SS*.SBendtrans-72.323.6-166.527.4-34.8000114.9
191K36.5Very low59.3Low163 Ų163103.9 Ų103.971%0.70953%0.532SS*.SBendtrans-150.1122.5171.6-153169-179.8170.10107.7P189P189-K191 PolarHBondContact O-N 2.86Å
192P40.8Very low57.9Low108 Ų108103.2 Ų103.270%0.70154%0.541SS*.PPolyproline II helixtrans-54136.3158.324.7-28.7000105.8
193P43.5Very low56.5Low76 Ų7698.3 Ų98.349%0.49452%0.524SS..PPolyproline II helixtrans-49.7138.5167.623.3-31.1000106.7
194P39.6Very low55.4Low89 Ų89104.8 Ų104.858%0.57855%0.554SS**PPolyproline II helixtrans-47.4140176.522.4-32.6000107.4L196P194-L196 PolarHBondContact O-N 3.34Å
195P40.4Very low54.6Low92 Ų92102.4 Ų102.460%0.59755%0.552SS**PPolyproline II helixtrans-47.4120.1177.419.1-30000106.7Q197 P198P195-Q197 HydrophobicContact CB-CB 4.43Å; P195-Q197 HydrophobicContact CB-CG 4.23Å; P195-Q197 PolarHBondContact O-N 3.37Å; P195-P198 WeakPolarHBondContact O-CD 3.31Å
196L47.2Very low54.1Low70 Ų7094.9 Ų94.937%0.36652%0.524SS..SBendtrans-65.710.3-177.6-78163.8000111.9P194 L199 L200 L223P194-L196 PolarHBondContact O-N 3.34Å; L196-L199 HydrophobicContact CD2-CB 4.27Å; L196-L199 HydrophobicContact CD2-CD1 4.38Å; L196-L199 PolarHBondContact O-N 3.41Å; L196-L200 HydrophobicContact CB-CD1 3.87Å; L196-L200 HydrophobicContact CB-CG 4.32Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 2.9Å; L196-L223 HydrophobicContact CD1-CD1 4.43Å
197Q47.3Very low53.7Low127 Ų12792.5 Ų92.559%0.59351%0.51SS*.THydrogen-bonded Turntrans-62.8-34.8-174.3-71.5-179.7-22.300113.8P195P195-Q197 HydrophobicContact CB-CB 4.43Å; P195-Q197 HydrophobicContact CB-CG 4.23Å; P195-Q197 PolarHBondContact O-N 3.37Å
198P45.8Very low53.4Low104 Ų10492 Ų9268%0.67552%0.522SS*.THydrogen-bonded Turntrans-76.3-27.6171-10.526.1000112.5P195P195-P198 WeakPolarHBondContact O-CD 3.31Å
199L46.1Very low53.9Low115 Ų11588.4 Ų88.460%0.60251%0.506SS*.THydrogen-bonded Turntrans-86.3-7.9-169.6-101.3151000114.4L196 G205L196-L199 HydrophobicContact CD2-CB 4.27Å; L196-L199 HydrophobicContact CD2-CD1 4.38Å; L196-L199 PolarHBondContact O-N 3.41Å; L199-G205 WeakPolarHBondContact O-CA 3.42Å
200L53.8Low54.9Low18 Ų1883.8 Ų83.89%0.09448%0.476CS..THydrogen-bonded Turntrans-105.71179.6-63.3164.6000113.2L196 G202 L206 A209 L223 S226L196-L200 HydrophobicContact CB-CD1 3.87Å; L196-L200 HydrophobicContact CB-CG 4.32Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 2.9Å; L200-G202 PolarHBondContact O-N 3.44Å; L200-L206 HydrophobicContact CD2-CD1 4.11Å; L200-A209 HydrophobicContact CD2-CB 4.01Å; L200-L223 HydrophobicContact CD1-CD1 3.36Å; L200-L223 HydrophobicContact CD2-CD1 3.69Å; L200-L223 HydrophobicContact CG-CD1 4.16Å; L200-S226 VanDerWaalsContact CD1-CB 3.42Å
201R50.7Low56Low235 Ų23579.6 Ų79.689%0.88745%0.45SS*.SBendtrans-71.494.5166.9-83.9-166.2-179.6-156.21.8108.9
202G57.5Low57.6Low43 Ų4374.1 Ų74.144%0.44343%0.432SS..SBendtrans124.8147.9173.600000113.5L200 Q204 G205 L206L200-G202 PolarHBondContact O-N 3.44Å; G202-Q204 PolarHBondContact O-N 3.37Å; G202-Q204 VanDerWaalsContact O-N 3.16Å; G202-G205 PolarHBondContact O-N 3.07Å; G202-L206 PolarHBondContact O-N 3.42Å
203G59.9Low58.7Low23 Ų2373.2 Ų73.224%0.23743%0.426CS..Hα-helixtrans-56.1-33.2-175.700000114.6L206 E207G203-L206 PolarHBondContact O-N 3.02Å; G203-E207 WeakPolarHBondContact O-CB 3.36Å; G203-E207 PolarHBondContact O-N 3.45Å
204Q64.3Low59.5Low170 Ų17078.7 Ų78.779%0.79444%0.437SS*.Hα-helixtrans-67-40.6-179.5-67.5-178.7-000113.3G202 L206 E207 A208G202-Q204 PolarHBondContact O-N 3.37Å; G202-Q204 VanDerWaalsContact O-N 3.16Å; Q204-L206 VanDerWaalsContact C-N 3.31Å; Q204-L206 PolarHBondContact O-N 3Å; Q204-E207 PolarHBondContact O-N 3.28Å; Q204-A208 WeakPolarHBondContact O-CB 3.26Å; Q204-A208 PolarHBondContact O-N 3.31Å
205G66.4Low60.6Low23 Ų2375 Ų7524%0.23741%0.412CS..Hα-helixtrans-66.5-37.9177.400000111.6L199 G202 A208 A209L199-G205 WeakPolarHBondContact O-CA 3.42Å; G202-G205 PolarHBondContact O-N 3.07Å; G205-A208 PolarHBondContact O-N 3.38Å; G205-A209 WeakPolarHBondContact O-CB 3.37Å; G205-A209 PolarHBondContact O-N 2.74Å
206L70.7Confident61.5Low3 Ų373.4 Ų73.42%0.01640%0.398CS..Hα-helixtrans-67.2-42.8175.4-161.865.3000112.3L200 G202 G203 Q204 A208 A209 L210 L227 L235 V239L200-L206 HydrophobicContact CD2-CD1 4.11Å; G202-L206 PolarHBondContact O-N 3.42Å; G203-L206 PolarHBondContact O-N 3.02Å; Q204-L206 VanDerWaalsContact C-N 3.31Å; Q204-L206 PolarHBondContact O-N 3Å; L206-A208 PolarHBondContact O-N 2.87Å; L206-A209 PolarHBondContact O-N 3.1Å; L206-L210 HydrophobicContact CG-CD1 4.05Å; L206-L210 HydrophobicContact CG-CG 4.49Å; L206-L210 WeakPolarHBondContact O-CB 3.32Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.26Å; L206-L210 PolarHBondContact O-N 3.4Å; L206-L227 HydrophobicContact CD1-CD2 3.14Å; L206-L227 HydrophobicContact CD1-CG 3.64Å; L206-L227 HydrophobicContact CD2-CD2 3.46Å; L206-L227 VanDerWaalsContact CD2-CD2 3.46Å; L206-L227 HydrophobicContact CG-CD2 3.64Å; L206-L235 HydrophobicContact CD2-CD1 3.64Å; L206-L235 HydrophobicContact CD2-CD2 3.73Å; L206-L235 HydrophobicContact CD2-CG 4.36Å; L206-V239 HydrophobicContact CB-CG1 4.31Å; L206-V239 HydrophobicContact CD2-CG1 3.68Å; L206-V239 HydrophobicContact CG-CG1 4.13Å
207E72.9Confident62.1Low71 Ų7175.9 Ų75.933%0.33240%0.402SS..Hα-helixtrans-58-47.8174.6-167175.1166.100111.5G203 Q204 A209 L210 S211 H238 V239 L242G203-E207 WeakPolarHBondContact O-CB 3.36Å; G203-E207 PolarHBondContact O-N 3.45Å; Q204-E207 PolarHBondContact O-N 3.28Å; E207-A209 VanDerWaalsContact C-N 3.34Å; E207-A209 PolarHBondContact O-N 3.09Å; E207-L210 PolarHBondContact O-N 2.98Å; E207-S211 WeakPolarHBondContact O-CB 3.44Å; E207-S211 PolarHBondContact O-N 3.29Å; E207-S211 PolarHBondContact O-OG 3Å; E207-H238 IonicContact OE1-CD2 3.82Å; E207-H238 PolarHBondContact OE1-CD2 3.36Å; E207-H238 IonicContact OE1-NE2 3.66Å; E207-V239 HydrophobicContact CB-CG2 3.75Å; E207-V239 HydrophobicContact CG-CG2 4.03Å; E207-L242 HydrophobicContact CG-CD1 4.06Å
208A72.9Confident62.8Low66 Ų6674 Ų7455%0.54539%0.39SS..Hα-helixtrans-62-41.4177.400000111.8Q204 G205 L206 C212Q204-A208 WeakPolarHBondContact O-CB 3.26Å; Q204-A208 PolarHBondContact O-N 3.31Å; G205-A208 PolarHBondContact O-N 3.38Å; L206-A208 PolarHBondContact O-N 2.87Å; A208-C212 WeakPolarHBondContact O-CB 3.4Å; A208-C212 PolarHBondContact O-N 2.93Å
209A72.1Confident63.6Low18 Ų1869.7 Ų69.715%0.14936%0.362CS..Hα-helixtrans-66-45.9178.200000112L200 G205 L206 E207 S211 C212 F215 L223L200-A209 HydrophobicContact CD2-CB 4.01Å; G205-A209 WeakPolarHBondContact O-CB 3.37Å; G205-A209 PolarHBondContact O-N 2.74Å; L206-A209 PolarHBondContact O-N 3.1Å; E207-A209 VanDerWaalsContact C-N 3.34Å; E207-A209 PolarHBondContact O-N 3.09Å; A209-S211 VanDerWaalsContact C-N 3.34Å; A209-C212 WeakPolarHBondContact O-CB 3.18Å; A209-C212 PolarHBondContact O-N 3.43Å; A209-F215 WeakPolarHBondContact O-CB 3.42Å; A209-L223 HydrophobicContact CB-CD1 4.03Å; A209-L223 HydrophobicContact CB-CD2 3.86Å
210L73.6Confident64.4Low3 Ų369.8 Ų69.82%0.01636%0.355CS..Hα-helixtrans-69.6-30.6179.2-69.4172.6000112.8L206 E207 F215 L227 V239 L242 L243 H246L206-L210 HydrophobicContact CG-CD1 4.05Å; L206-L210 HydrophobicContact CG-CG 4.49Å; L206-L210 WeakPolarHBondContact O-CB 3.32Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.26Å; L206-L210 PolarHBondContact O-N 3.4Å; E207-L210 PolarHBondContact O-N 2.98Å; L210-F215 HydrophobicContact CD2-CD1 4.26Å; L210-F215 HydrophobicContact CD2-CE1 3.87Å; L210-L227 HydrophobicContact CD2-CD1 4.23Å; L210-V239 HydrophobicContact CD1-CG1 4.21Å; L210-L242 HydrophobicContact CB-CB 3.95Å; L210-L242 HydrophobicContact CB-CD1 4.28Å; L210-L242 HydrophobicContact CD1-CB 3.96Å; L210-L243 HydrophobicContact CD1-CB 4.09Å; L210-H246 HydrophobicContact CD2-CB 4.08Å
211S73.6Confident64.9Low54 Ų5476.2 Ų76.238%0.37838%0.384SS..Hα-helixtrans-81.8-15.6176.9-59.30000113.3E207 A209 P213 L242E207-S211 WeakPolarHBondContact O-CB 3.44Å; E207-S211 PolarHBondContact O-N 3.29Å; E207-S211 PolarHBondContact O-OG 3Å; A209-S211 VanDerWaalsContact C-N 3.34Å; S211-P213 WeakPolarHBondContact O-CD 3.45Å; S211-L242 WeakPolarHBondContact OG-CD1 3.38Å
212C69.8Low65.5Low49 Ų4972.5 Ų72.533%0.33138%0.376SS..  trans-62.6124.9-178.1-174.80000111.6A208 A209 R214 F215 L216A208-C212 WeakPolarHBondContact O-CB 3.4Å; A208-C212 PolarHBondContact O-N 2.93Å; A209-C212 WeakPolarHBondContact O-CB 3.18Å; A209-C212 PolarHBondContact O-N 3.43Å; C212-R214 PolarHBondContact O-N 3.45Å; C212-F215 HydrophobicContact CB-CB 4.16Å; C212-F215 PolarHBondContact O-N 3.36Å; C212-L216 WeakPolarHBondContact O-CG 3.35Å; C212-L216 PolarHBondContact O-N 3.41Å
213P64.9Low65.8Low88 Ų8870.7 Ų70.757%0.57136%0.357SS*.THydrogen-bonded Turntrans-55.2-29.6179.4-2835000114.7S211 R217S211-P213 WeakPolarHBondContact O-CD 3.45Å; P213-R217 WeakPolarHBondContact O-CG 3.13Å; P213-R217 PolarHBondContact O-N 3.4Å
214R60.5Low66.1Low192 Ų19270.2 Ų70.273%0.72535%0.349SS*.THydrogen-bonded Turntrans-70.2-41.8176.5-70.3-177.9170.9-172.1-2.9111.3C212 R217 Y218C212-R214 PolarHBondContact O-N 3.45Å; R214-R217 PolarHBondContact O-N 3.1Å; R214-Y218 PolarHBondContact O-N 3.13Å
215F62.5Low66.3Low12 Ų1265.3 Ų65.35%0.05333%0.333CS..THydrogen-bonded Turntrans-74.5-32.8179.4-163.9-103.7000112.2A209 L210 C212 R217 Y218 R220 L223 H246A209-F215 WeakPolarHBondContact O-CB 3.42Å; L210-F215 HydrophobicContact CD2-CD1 4.26Å; L210-F215 HydrophobicContact CD2-CE1 3.87Å; C212-F215 HydrophobicContact CB-CB 4.16Å; C212-F215 PolarHBondContact O-N 3.36Å; F215-R217 PolarHBondContact O-N 3.07Å; F215-Y218 PolarHBondContact O-N 2.83Å; F215-R220 HydrophobicContact CD2-CG 4.4Å; F215-R220 HydrophobicContact CE2-CB 4.01Å; F215-R220 HydrophobicContact CE2-CG 4.32Å; F215-L223 HydrophobicContact CD1-CD2 3.76Å; F215-L223 HydrophobicContact CD2-CD2 3.77Å; F215-L223 HydrophobicContact CE1-CD2 3.26Å; F215-L223 HydrophobicContact CE1-CG 4.49Å; F215-L223 HydrophobicContact CE2-CB 3.57Å; F215-L223 HydrophobicContact CE2-CD2 3.29Å; F215-L223 HydrophobicContact CE2-CG 3.98Å; F215-L223 HydrophobicContact CG-CD2 4Å; F215-L223 HydrophobicContact CZ-CB 3.76Å; F215-L223 HydrophobicContact CZ-CD2 3.05Å; F215-L223 HydrophobicContact CZ-CG 3.9Å; F215-H246 AromaticContact CD1-CE1 3.49Å; F215-H246 VanDerWaalsContact CD1-CE1 3.49Å; F215-H246 WeakPolarHBondContact CD1-CE1 3.32Å; F215-H246 AromaticContact CD1-ND1 3.66Å; F215-H246 AromaticContact CE1-CD2 3.81Å; F215-H246 AromaticContact CE1-CE1 2.94Å; F215-H246 WeakPolarHBondContact CE1-CE1 3.35Å; F215-H246 AromaticContact CE1-CG 3.84Å; F215-H246 AromaticContact CE1-ND1 3.31Å; F215-H246 VanDerWaalsContact CE1-ND1 3.31Å; F215-H246 WeakPolarHBondContact CE1-ND1 3.47Å; F215-H246 AromaticContact CE1-NE2 3.29Å; F215-H246 VanDerWaalsContact CE1-NE2 3.29Å; F215-H246 WeakPolarHBondContact CE1-NE2 3.46Å; F215-H246 AromaticContact CZ-CE1 3.39Å; F215-H246 WeakPolarHBondContact CZ-CE1 3.21Å; F215-H246 AromaticContact CZ-NE2 3.4Å; F215-H246 WeakPolarHBondContact CZ-NE2 3.28Å
216L59.9Low66.2Low58 Ų5865 Ų6530%0.30433%0.327SS..THydrogen-bonded Turntrans-59.6-23.4169.5-71.6170.1000113.3C212 H250C212-L216 WeakPolarHBondContact O-CG 3.35Å; C212-L216 PolarHBondContact O-N 3.41Å; L216-H250 PolarHBondContact O-CE1 2.84Å; L216-H250 PolarHBondContact O-NE2 2.83Å
217R58.7Low66Low121 Ų12165.1 Ų65.146%0.45733%0.328SS..THydrogen-bonded Turntrans-94.6-41.5176.9-71.1-179.4-173.21772.8112.9L52 P213 R214 F215 H250L52-R217 HydrophobicContact CD2-CB 4.37Å; L52-R217 WeakPolarHBondContact CD2-O 3.12Å; P213-R217 WeakPolarHBondContact O-CG 3.13Å; P213-R217 PolarHBondContact O-N 3.4Å; R214-R217 PolarHBondContact O-N 3.1Å; F215-R217 PolarHBondContact O-N 3.07Å; R217-H250 PolarHBondContact O-CE1 3.4Å
218Y61.4Low65.6Low87 Ų8763.3 Ų63.334%0.34133%0.325SS..SBendtrans-130.6114.2-172.2-61.1-78.7000112G51 L54 R214 F215 R220G51-Y218 WeakPolarHBondContact O-CE2 3.15Å; G51-Y218 PolarHBondContact O-OH 3.49Å; L54-Y218 HydrophobicContact CD1-CD1 4.46Å; L54-Y218 HydrophobicContact CD2-CD1 4.47Å; L54-Y218 HydrophobicContact CG-CD1 4.12Å; L54-Y218 HydrophobicContact CG-CE1 4.19Å; R214-Y218 PolarHBondContact O-N 3.13Å; F215-Y218 PolarHBondContact O-N 2.83Å; Y218-R220 PolarHBondContact O-N 3.26Å
219P64.1Low65.2Low15 Ų1567.1 Ų67.110%0.09733%0.332CS..  trans-71.3124.8174.929.2-33.7000109.8H250 L252P219-H250 HydrophobicContact CB-CB 4.2Å; P219-H250 WeakPolarHBondContact CD-ND1 3.26Å; P219-H250 HydrophobicContact CG-CB 4.02Å; P219-L252 HydrophobicContact CB-CD1 3.93Å; P219-L252 HydrophobicContact CB-CD2 4.41Å
220R61.6Low64.7Low117 Ų11767.5 Ų67.544%0.44234%0.335SS..  trans-98.7126.4175.9-63.9-177.1172.3173-5.3109.7F215 Y218 H222 L223 I224F215-R220 HydrophobicContact CD2-CG 4.4Å; F215-R220 HydrophobicContact CE2-CB 4.01Å; F215-R220 HydrophobicContact CE2-CG 4.32Å; Y218-R220 PolarHBondContact O-N 3.26Å; R220-H222 VanDerWaalsContact C-N 3.31Å; R220-H222 PolarHBondContact O-N 2.86Å; R220-L223 HydrophobicContact CB-CB 4.48Å; R220-L223 PolarHBondContact O-N 3.24Å; R220-I224 PolarHBondContact O-N 2.86Å
221Q64.5Low64.4Low153 Ų15375.6 Ų75.672%0.71537%0.365SS*.Hα-helixtrans-53.8-45.8179.9-81.7175.7-30.900112.2L223 I224 S225Q221-L223 VanDerWaalsContact C-N 3.26Å; Q221-L223 PolarHBondContact O-N 3.15Å; Q221-I224 WeakPolarHBondContact O-CB 3.33Å; Q221-I224 PolarHBondContact O-N 3.44Å; Q221-S225 PolarHBondContact O-N 3.11Å; Q221-S225 PolarHBondContact O-OG 3.08Å
222H63.5Low63.9Low156 Ų15674.5 Ų74.572%0.72236%0.357SS*.Hα-helixtrans-57.2-35.5177.3-65.9-68.3000113.8R220 S225 S226R220-H222 VanDerWaalsContact C-N 3.31Å; R220-H222 PolarHBondContact O-N 2.86Å; H222-S225 PolarHBondContact O-N 3.4Å; H222-S226 PolarHBondContact O-N 3.46Å; H222-S226 PolarHBondContact O-OG 2.95Å; H222-S226 VanDerWaalsContact O-OG 3.11Å
223L64.5Low63.7Low6 Ų678.2 Ų78.23%0.03137%0.369CS..Hα-helixtrans-72.7-35.4177.1-160.580.7000111.5L196 L200 A209 F215 R220 Q221 S225 S226 L227L196-L223 HydrophobicContact CD1-CD1 4.43Å; L200-L223 HydrophobicContact CD1-CD1 3.36Å; L200-L223 HydrophobicContact CD2-CD1 3.69Å; L200-L223 HydrophobicContact CG-CD1 4.16Å; A209-L223 HydrophobicContact CB-CD1 4.03Å; A209-L223 HydrophobicContact CB-CD2 3.86Å; F215-L223 HydrophobicContact CD1-CD2 3.76Å; F215-L223 HydrophobicContact CD2-CD2 3.77Å; F215-L223 HydrophobicContact CE1-CD2 3.26Å; F215-L223 HydrophobicContact CE1-CG 4.49Å; F215-L223 HydrophobicContact CE2-CB 3.57Å; F215-L223 HydrophobicContact CE2-CD2 3.29Å; F215-L223 HydrophobicContact CE2-CG 3.98Å; F215-L223 HydrophobicContact CG-CD2 4Å; F215-L223 HydrophobicContact CZ-CB 3.76Å; F215-L223 HydrophobicContact CZ-CD2 3.05Å; F215-L223 HydrophobicContact CZ-CG 3.9Å; R220-L223 HydrophobicContact CB-CB 4.48Å; R220-L223 PolarHBondContact O-N 3.24Å; Q221-L223 VanDerWaalsContact C-N 3.26Å; Q221-L223 PolarHBondContact O-N 3.15Å; L223-S225 VanDerWaalsContact C-N 3.32Å; L223-S226 PolarHBondContact O-N 3.39Å; L223-L227 HydrophobicContact CD2-CD1 4.19Å; L223-L227 HydrophobicContact CG-CD1 4.21Å; L223-L227 WeakPolarHBondContact O-CB 3.5Å; L223-L227 WeakPolarHBondContact O-CD1 3.32Å; L223-L227 VanDerWaalsContact O-CG 3.26Å; L223-L227 WeakPolarHBondContact O-CG 3.48Å; L223-L227 PolarHBondContact O-N 2.94Å
224I66.5Low64Low13 Ų1380.7 Ų80.77%0.06737%0.373CS..Hα-helixtrans-62.5-43.7175.4-61.6168.5000109.7R220 Q221 L227 A228 L252 E254 L257R220-I224 PolarHBondContact O-N 2.86Å; Q221-I224 WeakPolarHBondContact O-CB 3.33Å; Q221-I224 PolarHBondContact O-N 3.44Å; I224-L227 WeakPolarHBondContact O-CB 3.45Å; I224-L227 PolarHBondContact O-N 3.34Å; I224-A228 WeakPolarHBondContact O-CB 3.28Å; I224-A228 PolarHBondContact O-N 3.43Å; I224-L252 HydrophobicContact CD1-CD1 3.62Å; I224-L252 HydrophobicContact CD1-CD2 4.06Å; I224-L252 HydrophobicContact CD1-CG 4.4Å; I224-L252 HydrophobicContact CG1-CD1 4.17Å; I224-E254 HydrophobicContact CG2-CG 3.67Å; I224-L257 HydrophobicContact CG2-CD1 4.17Å
225S66.9Low64.9Low66 Ų6672.3 Ų72.346%0.46234%0.343SS..Hα-helixtrans-60.3-49.5174.5-55.50000111.6Q221 H222 L223 L227 A228 E229Q221-S225 PolarHBondContact O-N 3.11Å; Q221-S225 PolarHBondContact O-OG 3.08Å; H222-S225 PolarHBondContact O-N 3.4Å; L223-S225 VanDerWaalsContact C-N 3.32Å; S225-L227 VanDerWaalsContact C-N 3.3Å; S225-L227 PolarHBondContact O-N 3.1Å; S225-A228 PolarHBondContact O-N 3.04Å; S225-A228 VanDerWaalsContact O-N 3.11Å; S225-E229 WeakPolarHBondContact O-CG 3.5Å; S225-E229 PolarHBondContact O-N 3.3Å
226S64.2Low66Low17 Ų1775 Ų7512%0.11936%0.36CS..Hα-helixtrans-64.7-32.4177.7-600000113.6L200 H222 L223 A228 E229 A230L200-S226 VanDerWaalsContact CD1-CB 3.42Å; H222-S226 PolarHBondContact O-N 3.46Å; H222-S226 PolarHBondContact O-OG 2.95Å; H222-S226 VanDerWaalsContact O-OG 3.11Å; L223-S226 PolarHBondContact O-N 3.39Å; S226-A228 VanDerWaalsContact C-N 3.34Å; S226-E229 PolarHBondContact O-N 3.28Å; S226-A230 PolarHBondContact O-N 3.33Å; S226-A230 VanDerWaalsContact O-N 3.15Å
227L66.8Low67.4Low5 Ų574.8 Ų74.83%0.02636%0.362CS..Hα-helixtrans-64.4-39.9172.9-88162.7000111.6L206 L210 L223 I224 S225 E229 A230 L243 L257L206-L227 HydrophobicContact CD1-CD2 3.14Å; L206-L227 HydrophobicContact CD1-CG 3.64Å; L206-L227 HydrophobicContact CD2-CD2 3.46Å; L206-L227 VanDerWaalsContact CD2-CD2 3.46Å; L206-L227 HydrophobicContact CG-CD2 3.64Å; L210-L227 HydrophobicContact CD2-CD1 4.23Å; L223-L227 HydrophobicContact CD2-CD1 4.19Å; L223-L227 HydrophobicContact CG-CD1 4.21Å; L223-L227 WeakPolarHBondContact O-CB 3.5Å; L223-L227 WeakPolarHBondContact O-CD1 3.32Å; L223-L227 VanDerWaalsContact O-CG 3.26Å; L223-L227 WeakPolarHBondContact O-CG 3.48Å; L223-L227 PolarHBondContact O-N 2.94Å; I224-L227 WeakPolarHBondContact O-CB 3.45Å; I224-L227 PolarHBondContact O-N 3.34Å; S225-L227 VanDerWaalsContact C-N 3.3Å; S225-L227 PolarHBondContact O-N 3.1Å; L227-E229 VanDerWaalsContact C-N 3.31Å; L227-A230 PolarHBondContact O-N 2.92Å; L227-L243 HydrophobicContact CD1-CD1 3.83Å; L227-L243 HydrophobicContact CD2-CD1 3.7Å; L227-L243 HydrophobicContact CD2-CD2 4.33Å; L227-L243 HydrophobicContact CG-CD1 4.33Å; L227-L257 HydrophobicContact CB-CD1 4.14Å; L227-L257 HydrophobicContact CB-CD2 3.99Å; L227-L257 WeakPolarHBondContact O-CD2 3.45Å
228A64.9Low68.9Low34 Ų3473.8 Ų73.828%0.28136%0.363SS..Hα-helixtrans-72.9-27.2-18000000112.1I224 S225 S226 L257I224-A228 WeakPolarHBondContact O-CB 3.28Å; I224-A228 PolarHBondContact O-N 3.43Å; S225-A228 PolarHBondContact O-N 3.04Å; S225-A228 VanDerWaalsContact O-N 3.11Å; S226-A228 VanDerWaalsContact C-N 3.34Å; A228-L257 HydrophobicContact CB-CD2 4.16Å; A228-L257 HydrophobicContact CB-CG 4.32Å
229E65.6Low70.1Confident145 Ų14569.6 Ų69.668%0.67835%0.346SS*.Hα-helixtrans-76.6-27.3173-70.5172.7-177.600113.2S225 S226 L227S225-E229 WeakPolarHBondContact O-CG 3.5Å; S225-E229 PolarHBondContact O-N 3.3Å; S226-E229 PolarHBondContact O-N 3.28Å; L227-E229 VanDerWaalsContact C-N 3.31Å
230A61.7Low71.3Confident26 Ų2668.9 Ų68.922%0.21534%0.342CS..SBendtrans-70130.1177.800000110.7S226 L227 P232S226-A230 PolarHBondContact O-N 3.33Å; S226-A230 VanDerWaalsContact O-N 3.15Å; L227-A230 PolarHBondContact O-N 2.92Å; A230-P232 WeakPolarHBondContact O-CD 3.16Å; A230-P232 VanDerWaalsContact O-N 3.13Å
231R65.9Low72.7Confident173 Ų17363.7 Ų63.765%0.65332%0.323SS*.  trans-65.9111.5175.3-73.5-174.5179.7171.1-1.7109.3E233 E234R231-E233 PolarHBondContact O-N 3.32Å; R231-E233 VanDerWaalsContact O-N 3.16Å; R231-E234 HydrophobicContact CB-CG 4.26Å; R231-E234 PolarHBondContact O-N 2.87Å; R231-E234 VanDerWaalsContact O-N 3.13Å
232P64.4Low73.8Confident31 Ų3157.7 Ų57.720%0.20130%0.295CS..G310 helixtrans-66.6-22-172-1.610.7000113.1A230 E234 L235 M240 A260A230-P232 WeakPolarHBondContact O-CD 3.16Å; A230-P232 VanDerWaalsContact O-N 3.13Å; P232-E234 PolarHBondContact O-N 3.28Å; P232-L235 WeakPolarHBondContact O-CB 3.45Å; P232-L235 PolarHBondContact O-N 2.79Å; P232-M240 HydrophobicContact CB-CE 3.65Å; P232-M240 VanDerWaalsContact O-CE 3.25Å; P232-M240 WeakPolarHBondContact O-CE 3.37Å; P232-A260 HydrophobicContact CB-CB 3.51Å; P232-A260 HydrophobicContact CG-CB 3.07Å
233E65.6Low74.9Confident128 Ų12850.3 Ų50.360%0.59826%0.261SS*.G310 helixtrans-62.4-27.1176-65.7167.5-151.600113.1R231 L235 H263R231-E233 PolarHBondContact O-N 3.32Å; R231-E233 VanDerWaalsContact O-N 3.16Å; E233-L235 VanDerWaalsContact C-N 3.29Å; E233-H263 IonicContact OE1-CD2 3.87Å; E233-H263 IonicContact OE1-NE2 2.78Å
234E71.1Confident76.1Confident140 Ų14050 Ų5065%0.65426%0.26SS*.G310 helixtrans-85.7-4.2179.8-62.3173.8-166.400112.4R231 P232R231-E234 HydrophobicContact CB-CG 4.26Å; R231-E234 PolarHBondContact O-N 2.87Å; R231-E234 VanDerWaalsContact O-N 3.13Å; P232-E234 PolarHBondContact O-N 3.28Å
235L79Confident77.2Confident15 Ų1551 Ų518%0.07926%0.264CS..SBendtrans-89.2141.5-175.5-56.7-179.2000111.3L206 P232 E233 V239 M240 F264L206-L235 HydrophobicContact CD2-CD1 3.64Å; L206-L235 HydrophobicContact CD2-CD2 3.73Å; L206-L235 HydrophobicContact CD2-CG 4.36Å; P232-L235 WeakPolarHBondContact O-CB 3.45Å; P232-L235 PolarHBondContact O-N 2.79Å; E233-L235 VanDerWaalsContact C-N 3.29Å; L235-V239 HydrophobicContact CB-CB 4.41Å; L235-V239 HydrophobicContact CB-CG1 4.27Å; L235-V239 HydrophobicContact CD1-CG1 4.23Å; L235-V239 HydrophobicContact CD2-CG1 4.21Å; L235-V239 HydrophobicContact CG-CG1 4.48Å; L235-M240 HydrophobicContact CB-CE 4.1Å; L235-M240 HydrophobicContact CD1-CE 4.05Å; L235-F264 WeakPolarHBondContact O-CE2 3.38Å
236T85.5Confident78Confident68 Ų6847.9 Ų47.942%0.41724%0.242SC..  trans-68.8155.4175.470.30000111H238 V239 M240T236-H238 PolarHBondContact O-N 3.34Å; T236-H238 VanDerWaalsContact O-N 3.1Å; T236-V239 PolarHBondContact O-N 3.5Å; T236-V239 WeakPolarHBondContact OG1-CG2 3.1Å; T236-V239 PolarHBondContact OG1-N 3.03Å; T236-M240 PolarHBondContact O-N 3.13Å
237P89Confident79.1Confident55 Ų5547.1 Ų47.136%0.35724%0.237SC..Hα-helixtrans-53.5-32.7173.8-23.628.8000113.5V241 F264 L272P237-V241 VanDerWaalsContact O-CG2 3.29Å; P237-V241 WeakPolarHBondContact O-CG2 3.37Å; P237-V241 PolarHBondContact O-N 3.07Å; P237-F264 HydrophobicContact CB-CE1 4.39Å; P237-F264 HydrophobicContact CB-CZ 4.04Å; P237-F264 HydrophobicContact CG-CZ 3.89Å; P237-L272 HydrophobicContact CB-CD2 4.15Å; P237-L272 HydrophobicContact CG-CD2 4.41Å
238H89.7Confident80.1Confident99 Ų9947 Ų4746%0.45824%0.237SC..Hα-helixtrans-64.5-49.4177-174.473.1000111.7E207 T236 M240 V241 L242E207-H238 IonicContact OE1-CD2 3.82Å; E207-H238 PolarHBondContact OE1-CD2 3.36Å; E207-H238 IonicContact OE1-NE2 3.66Å; T236-H238 PolarHBondContact O-N 3.34Å; T236-H238 VanDerWaalsContact O-N 3.1Å; H238-M240 VanDerWaalsContact C-N 3.32Å; H238-M240 PolarHBondContact O-N 3.04Å; H238-V241 WeakPolarHBondContact O-CB 3.33Å; H238-V241 PolarHBondContact O-N 3.3Å; H238-L242 WeakPolarHBondContact O-CG 3.34Å; H238-L242 PolarHBondContact O-N 3.25Å
239V86.9Confident81Confident0 Ų050.9 Ų50.90%024%0.244CC..Hα-helixtrans-62.8-41.1178.5176.10000110.9L206 E207 L210 L235 T236 V241 L242 L243L206-V239 HydrophobicContact CB-CG1 4.31Å; L206-V239 HydrophobicContact CD2-CG1 3.68Å; L206-V239 HydrophobicContact CG-CG1 4.13Å; E207-V239 HydrophobicContact CB-CG2 3.75Å; E207-V239 HydrophobicContact CG-CG2 4.03Å; L210-V239 HydrophobicContact CD1-CG1 4.21Å; L235-V239 HydrophobicContact CB-CB 4.41Å; L235-V239 HydrophobicContact CB-CG1 4.27Å; L235-V239 HydrophobicContact CD1-CG1 4.23Å; L235-V239 HydrophobicContact CD2-CG1 4.21Å; L235-V239 HydrophobicContact CG-CG1 4.48Å; T236-V239 PolarHBondContact O-N 3.5Å; T236-V239 WeakPolarHBondContact OG1-CG2 3.1Å; T236-V239 PolarHBondContact OG1-N 3.03Å; V239-V241 VanDerWaalsContact C-N 3.31Å; V239-V241 PolarHBondContact O-N 2.89Å; V239-L242 WeakPolarHBondContact O-CB 3.44Å; V239-L242 PolarHBondContact O-N 2.64Å; V239-L242 VanDerWaalsContact O-N 3.15Å; V239-L243 PolarHBondContact O-N 2.86Å
240M89.3Confident81.9Confident0 Ų045 Ų450%022%0.217CC..Hα-helixtrans-62.8-38.2177.1-161.360.372.300112.4P232 L235 T236 H238 L243 A244 I261 F264 L280P232-M240 HydrophobicContact CB-CE 3.65Å; P232-M240 VanDerWaalsContact O-CE 3.25Å; P232-M240 WeakPolarHBondContact O-CE 3.37Å; L235-M240 HydrophobicContact CB-CE 4.1Å; L235-M240 HydrophobicContact CD1-CE 4.05Å; T236-M240 PolarHBondContact O-N 3.13Å; H238-M240 VanDerWaalsContact C-N 3.32Å; H238-M240 PolarHBondContact O-N 3.04Å; M240-L243 PolarHBondContact O-N 3.22Å; M240-L243 HydrophobicContact SD-CD2 4.01Å; M240-A244 WeakPolarHBondContact O-CB 3.42Å; M240-A244 PolarHBondContact O-N 2.94Å; M240-I261 HydrophobicContact CG-CG1 4.13Å; M240-I261 HydrophobicContact SD-CB 4.37Å; M240-I261 HydrophobicContact SD-CG1 3.5Å; M240-I261 VanDerWaalsContact SD-CG1 3.5Å; M240-F264 HydrophobicContact CB-CD1 4.24Å; M240-F264 HydrophobicContact CB-CE1 4.12Å; M240-F264 HydrophobicContact CB-CZ 4.35Å; M240-F264 HydrophobicContact CE-CB 3.97Å; M240-F264 HydrophobicContact CE-CD2 3.82Å; M240-F264 HydrophobicContact CE-CG 3.87Å; M240-F264 HydrophobicContact CG-CB 4.45Å; M240-F264 HydrophobicContact CG-CD1 3.81Å; M240-F264 HydrophobicContact CG-CE1 4.2Å; M240-F264 HydrophobicContact CG-CG 4.02Å; M240-L280 HydrophobicContact CB-CD2 3.89Å; M240-L280 HydrophobicContact CG-CD2 3.58Å
241V91.3Very high83.1Confident8 Ų845.8 Ų45.85%0.04821%0.214CC..Hα-helixtrans-62.9-44.5172.8163.60000111.6P237 H238 V239 L243 A244 Q245 V276 K279 L280P237-V241 VanDerWaalsContact O-CG2 3.29Å; P237-V241 WeakPolarHBondContact O-CG2 3.37Å; P237-V241 PolarHBondContact O-N 3.07Å; H238-V241 WeakPolarHBondContact O-CB 3.33Å; H238-V241 PolarHBondContact O-N 3.3Å; V239-V241 VanDerWaalsContact C-N 3.31Å; V239-V241 PolarHBondContact O-N 2.89Å; V241-L243 VanDerWaalsContact C-N 3.3Å; V241-L243 PolarHBondContact O-N 3.4Å; V241-A244 PolarHBondContact O-N 3.09Å; V241-Q245 HydrophobicContact CG1-CG 4.44Å; V241-Q245 WeakPolarHBondContact O-CB 3.47Å; V241-Q245 VanDerWaalsContact O-CG 3.26Å; V241-Q245 WeakPolarHBondContact O-CG 3.46Å; V241-Q245 PolarHBondContact O-N 3.13Å; V241-V276 HydrophobicContact CG2-CG1 3.73Å; V241-K279 HydrophobicContact CG1-CB 3.94Å; V241-K279 HydrophobicContact CG1-CD 3.42Å; V241-K279 VanDerWaalsContact CG1-CD 3.42Å; V241-K279 HydrophobicContact CG1-CG 4.34Å; V241-K279 HydrophobicContact CG2-CB 4.18Å; V241-K279 HydrophobicContact CG2-CD 4.27Å; V241-L280 HydrophobicContact CB-CD2 4.49Å; V241-L280 HydrophobicContact CG2-CD2 3.85Å; V241-L280 HydrophobicContact CG2-CG 4.09Å
242L87.5Confident84.2Confident26 Ų2637.8 Ų37.814%0.13618%0.184CC..Hα-helixtrans-62.1-40.9177.7-67.5176.9000111.2E207 L210 S211 H238 V239 Q245 H246E207-L242 HydrophobicContact CG-CD1 4.06Å; L210-L242 HydrophobicContact CB-CB 3.95Å; L210-L242 HydrophobicContact CB-CD1 4.28Å; L210-L242 HydrophobicContact CD1-CB 3.96Å; S211-L242 WeakPolarHBondContact OG-CD1 3.38Å; H238-L242 WeakPolarHBondContact O-CG 3.34Å; H238-L242 PolarHBondContact O-N 3.25Å; V239-L242 WeakPolarHBondContact O-CB 3.44Å; V239-L242 PolarHBondContact O-N 2.64Å; V239-L242 VanDerWaalsContact O-N 3.15Å; L242-Q245 PolarHBondContact O-N 3.43Å; L242-H246 WeakPolarHBondContact O-CB 3.4Å; L242-H246 PolarHBondContact O-N 2.99Å
243L86.8Confident85.3Confident2 Ų239.7 Ų39.71%0.0119%0.187CC..Hα-helixtrans-61.9-52.3175.5178.357.7000111.3L210 L227 V239 M240 V241 Q245 H246 L247 L257 I261L210-L243 HydrophobicContact CD1-CB 4.09Å; L227-L243 HydrophobicContact CD1-CD1 3.83Å; L227-L243 HydrophobicContact CD2-CD1 3.7Å; L227-L243 HydrophobicContact CD2-CD2 4.33Å; L227-L243 HydrophobicContact CG-CD1 4.33Å; V239-L243 PolarHBondContact O-N 2.86Å; M240-L243 PolarHBondContact O-N 3.22Å; M240-L243 HydrophobicContact SD-CD2 4.01Å; V241-L243 VanDerWaalsContact C-N 3.3Å; V241-L243 PolarHBondContact O-N 3.4Å; L243-Q245 VanDerWaalsContact C-N 3.29Å; L243-Q245 PolarHBondContact O-N 3.15Å; L243-H246 WeakPolarHBondContact O-CA 3.47Å; L243-H246 WeakPolarHBondContact O-CB 3.48Å; L243-H246 PolarHBondContact O-N 3.09Å; L243-L247 HydrophobicContact CD1-CD1 4.49Å; L243-L247 HydrophobicContact CD1-CG 4.28Å; L243-L247 HydrophobicContact CG-CD1 4.43Å; L243-L247 WeakPolarHBondContact O-CG 3.38Å; L243-L247 PolarHBondContact O-N 3.28Å; L243-L257 HydrophobicContact CD1-CD1 4.42Å; L243-L257 HydrophobicContact CD2-CD2 4.31Å; L243-I261 HydrophobicContact CG-CD1 4.44Å
244A90.4Very high86.4Confident0 Ų037.2 Ų37.20%018%0.176CC..Hα-helixtrans-55.7-44.617800000111.9M240 V241 A248 I261 K279 L280 P283M240-A244 WeakPolarHBondContact O-CB 3.42Å; M240-A244 PolarHBondContact O-N 2.94Å; V241-A244 PolarHBondContact O-N 3.09Å; A244-A248 WeakPolarHBondContact O-CB 3.48Å; A244-A248 PolarHBondContact O-N 3.34Å; A244-I261 HydrophobicContact CB-CD1 3.99Å; A244-K279 WeakPolarHBondContact CB-O 3.31Å; A244-L280 HydrophobicContact CB-CD2 4.21Å; A244-P283 HydrophobicContact CB-CG 3.84Å
245Q88.6Confident87.2Confident32 Ų3233.4 Ų33.415%0.1516%0.163CC..Hα-helixtrans-65-37.7175.5-73.8176.1-18.100112.6N33 V241 L242 L243 R249N33-Q245 PolarHBondContact OD1-NE2 3.36Å; V241-Q245 HydrophobicContact CG1-CG 4.44Å; V241-Q245 WeakPolarHBondContact O-CB 3.47Å; V241-Q245 VanDerWaalsContact O-CG 3.26Å; V241-Q245 WeakPolarHBondContact O-CG 3.46Å; V241-Q245 PolarHBondContact O-N 3.13Å; L242-Q245 PolarHBondContact O-N 3.43Å; L243-Q245 VanDerWaalsContact C-N 3.29Å; L243-Q245 PolarHBondContact O-N 3.15Å; Q245-R249 WeakPolarHBondContact O-CB 3Å; Q245-R249 PolarHBondContact O-N 3.16Å
246H83.9Confident87.5Confident2 Ų239.4 Ų39.41%0.00919%0.191CC..Hα-helixtrans-63.6-51.2177.1-176.781.6000111.2L210 F215 L242 L243 A248 R249 H250L210-H246 HydrophobicContact CD2-CB 4.08Å; F215-H246 AromaticContact CD1-CE1 3.49Å; F215-H246 VanDerWaalsContact CD1-CE1 3.49Å; F215-H246 WeakPolarHBondContact CD1-CE1 3.32Å; F215-H246 AromaticContact CD1-ND1 3.66Å; F215-H246 AromaticContact CE1-CD2 3.81Å; F215-H246 AromaticContact CE1-CE1 2.94Å; F215-H246 WeakPolarHBondContact CE1-CE1 3.35Å; F215-H246 AromaticContact CE1-CG 3.84Å; F215-H246 AromaticContact CE1-ND1 3.31Å; F215-H246 VanDerWaalsContact CE1-ND1 3.31Å; F215-H246 WeakPolarHBondContact CE1-ND1 3.47Å; F215-H246 AromaticContact CE1-NE2 3.29Å; F215-H246 VanDerWaalsContact CE1-NE2 3.29Å; F215-H246 WeakPolarHBondContact CE1-NE2 3.46Å; F215-H246 AromaticContact CZ-CE1 3.39Å; F215-H246 WeakPolarHBondContact CZ-CE1 3.21Å; F215-H246 AromaticContact CZ-NE2 3.4Å; F215-H246 WeakPolarHBondContact CZ-NE2 3.28Å; L242-H246 WeakPolarHBondContact O-CB 3.4Å; L242-H246 PolarHBondContact O-N 2.99Å; L243-H246 WeakPolarHBondContact O-CA 3.47Å; L243-H246 WeakPolarHBondContact O-CB 3.48Å; L243-H246 PolarHBondContact O-N 3.09Å; H246-A248 VanDerWaalsContact C-N 3.34Å; H246-A248 PolarHBondContact O-N 3.38Å; H246-R249 PolarHBondContact O-N 3.3Å; H246-H250 AromaticContact CE1-CD2 3.11Å; H246-H250 PolarHBondContact CE1-CD2 3.27Å; H246-H250 AromaticContact CE1-NE2 3.47Å; H246-H250 PolarHBondContact CE1-NE2 2.65Å; H246-H250 AromaticContact CG-CD2 3.9Å; H246-H250 AromaticContact ND1-CD2 3.33Å; H246-H250 PolarHBondContact ND1-CD2 2.7Å; H246-H250 VanDerWaalsContact ND1-CD2 3.33Å; H246-H250 AromaticContact ND1-NE2 3.63Å; H246-H250 AromaticContact NE2-CD2 3.57Å; H246-H250 PolarHBondContact O-CD2 3.37Å; H246-H250 VanDerWaalsContact O-CD2 3.3Å; H246-H250 PolarHBondContact O-N 2.83Å
247L87.7Confident87.6Confident1 Ų136.4 Ų36.41%0.00517%0.172CC..Hα-helixtrans-56.1-49177.2-64.3177.3000111.1L243 R251 L252 L257 L258 I261 P283 L287L243-L247 HydrophobicContact CD1-CD1 4.49Å; L243-L247 HydrophobicContact CD1-CG 4.28Å; L243-L247 HydrophobicContact CG-CD1 4.43Å; L243-L247 WeakPolarHBondContact O-CG 3.38Å; L243-L247 PolarHBondContact O-N 3.28Å; L247-R251 WeakPolarHBondContact O-CA 3.3Å; L247-R251 PolarHBondContact O-N 2.9Å; L247-L252 HydrophobicContact CD2-CB 3.85Å; L247-L252 HydrophobicContact CD2-CD1 4.31Å; L247-L252 PolarHBondContact O-N 3.05Å; L247-L257 HydrophobicContact CD1-CB 3.95Å; L247-L257 HydrophobicContact CD2-CD1 3.99Å; L247-L258 HydrophobicContact CD1-CD2 3.97Å; L247-L258 HydrophobicContact CD1-CG 4.35Å; L247-I261 HydrophobicContact CD1-CD1 3.79Å; L247-P283 HydrophobicContact CB-CB 4.42Å; L247-L287 HydrophobicContact CB-CD1 4.23Å
248A88.4Confident87.7Confident3 Ų333.8 Ų33.83%0.02516%0.155CC..Hα-helixtrans-60.1-49.5177.500000112.2A244 H246 H250 R251 L282 P283 R286A244-A248 WeakPolarHBondContact O-CB 3.48Å; A244-A248 PolarHBondContact O-N 3.34Å; H246-A248 VanDerWaalsContact C-N 3.34Å; H246-A248 PolarHBondContact O-N 3.38Å; A248-H250 PolarHBondContact O-N 3.43Å; A248-R251 PolarHBondContact O-N 2.83Å; A248-L282 HydrophobicContact CB-CD2 4.12Å; A248-L282 HydrophobicContact CB-CG 4.2Å; A248-P283 HydrophobicContact CB-CB 4.29Å; A248-R286 VanDerWaalsContact O-CD 3.32Å; A248-R286 WeakPolarHBondContact O-CD 3.31Å; A248-R286 PolarHBondContact O-NE 3.31Å
249R83.3Confident87.7Confident115 Ų11531 Ų3143%0.43414%0.142SC..Hα-helixtrans-59.4-45.9-178-178.5-178.4-62.3116.6-0.3111.7Q245 H246Q245-R249 WeakPolarHBondContact O-CB 3Å; Q245-R249 PolarHBondContact O-N 3.16Å; H246-R249 PolarHBondContact O-N 3.3Å
250H83.2Confident87.9Confident22 Ų2231.5 Ų31.510%0.10215%0.146CC..Hα-helixtrans-91.50.1-175-65.6-65.6000114.3L216 R217 P219 H246 A248 L252L216-H250 PolarHBondContact O-CE1 2.84Å; L216-H250 PolarHBondContact O-NE2 2.83Å; R217-H250 PolarHBondContact O-CE1 3.4Å; P219-H250 HydrophobicContact CB-CB 4.2Å; P219-H250 WeakPolarHBondContact CD-ND1 3.26Å; P219-H250 HydrophobicContact CG-CB 4.02Å; H246-H250 AromaticContact CE1-CD2 3.11Å; H246-H250 PolarHBondContact CE1-CD2 3.27Å; H246-H250 AromaticContact CE1-NE2 3.47Å; H246-H250 PolarHBondContact CE1-NE2 2.65Å; H246-H250 AromaticContact CG-CD2 3.9Å; H246-H250 AromaticContact ND1-CD2 3.33Å; H246-H250 PolarHBondContact ND1-CD2 2.7Å; H246-H250 VanDerWaalsContact ND1-CD2 3.33Å; H246-H250 AromaticContact ND1-NE2 3.63Å; H246-H250 AromaticContact NE2-CD2 3.57Å; H246-H250 PolarHBondContact O-CD2 3.37Å; H246-H250 VanDerWaalsContact O-CD2 3.3Å; H246-H250 PolarHBondContact O-N 2.83Å; A248-H250 PolarHBondContact O-N 3.43Å; H250-L252 VanDerWaalsContact C-N 3.27Å; H250-L252 HydrophobicContact CB-CD1 3.87Å; H250-L252 HydrophobicContact CB-CD2 4.27Å; H250-L252 HydrophobicContact CB-CG 3.69Å; H250-L252 PolarHBondContact O-N 3.35Å
251R88Confident88Confident42 Ų4231.5 Ų31.516%0.15815%0.146CC..THydrogen-bonded Turntrans5938.6-179.4-52.8175.7-64.6-170.59.9112.3L247 A248 L287 W485 R489 L495L247-R251 WeakPolarHBondContact O-CA 3.3Å; L247-R251 PolarHBondContact O-N 2.9Å; A248-R251 PolarHBondContact O-N 2.83Å; R251-L287 VanDerWaalsContact CA-CD2 3.48Å; R251-L287 HydrophobicContact CB-CD2 4.28Å; R251-W485 VanDerWaalsContact NH1-C 3.32Å; R251-W485 VanDerWaalsContact NH1-CB 3.3Å; R251-W485 PolarHBondContact NH1-O 3.47Å; R251-R489 WeakPolarHBondContact O-CB 3.33Å; R251-R489 PolarHBondContact O-N 3.19Å; R251-L495 HydrophobicContact CB-CD2 4.17Å; R251-L495 HydrophobicContact CG-CD1 4.41Å; R251-L495 HydrophobicContact CG-CD2 3.94Å
252L88Confident88.1Confident5 Ų531.1 Ų31.13%0.02614%0.144CC..  trans-89.1110.1-178.2-57.2172.2000108.7P219 I224 L247 H250 E254 L287 R489P219-L252 HydrophobicContact CB-CD1 3.93Å; P219-L252 HydrophobicContact CB-CD2 4.41Å; I224-L252 HydrophobicContact CD1-CD1 3.62Å; I224-L252 HydrophobicContact CD1-CD2 4.06Å; I224-L252 HydrophobicContact CD1-CG 4.4Å; I224-L252 HydrophobicContact CG1-CD1 4.17Å; L247-L252 HydrophobicContact CD2-CB 3.85Å; L247-L252 HydrophobicContact CD2-CD1 4.31Å; L247-L252 PolarHBondContact O-N 3.05Å; H250-L252 VanDerWaalsContact C-N 3.27Å; H250-L252 HydrophobicContact CB-CD1 3.87Å; H250-L252 HydrophobicContact CB-CD2 4.27Å; H250-L252 HydrophobicContact CB-CG 3.69Å; H250-L252 PolarHBondContact O-N 3.35Å; L252-E254 HydrophobicContact CB-CG 4.36Å; L252-E254 PolarHBondContact O-N 2.9Å; L252-L287 WeakPolarHBondContact O-CD1 3.3Å; L252-R489 HydrophobicContact CD2-CB 4.24Å; L252-R489 VanDerWaalsContact CD2-CD 3.43Å; L252-R489 HydrophobicContact CD2-CG 4.48Å
253R88.8Confident88.3Confident71 Ų7132.9 Ų32.927%0.26815%0.152SC..  trans-98.273.1-179.3-169.1-177.3-179.5-75.61.4109.6P255 L258 L287 Y289 C488R253-P255 WeakPolarHBondContact O-CD 3.24Å; R253-L258 HydrophobicContact CG-CD1 4.26Å; R253-L287 HydrophobicContact CG-CB 4.39Å; R253-Y289 HydrophobicContact CG-CD2 4.19Å; R253-Y289 VanDerWaalsContact CZ-CD2 3.42Å; R253-Y289 VanDerWaalsContact NH2-CD2 3.34Å; R253-C488 HydrophobicContact CB-CB 4.05Å
254E87.5Confident88.5Confident75 Ų7533 Ų3335%0.3515%0.152SC..  trans-96.1104.2-179.1-61.6-62.4161.300109.9I224 L252 Q256 L257 L258I224-E254 HydrophobicContact CG2-CG 3.67Å; L252-E254 HydrophobicContact CB-CG 4.36Å; L252-E254 PolarHBondContact O-N 2.9Å; E254-Q256 PolarHBondContact O-N 2.97Å; E254-L257 HydrophobicContact CB-CB 4.19Å; E254-L257 HydrophobicContact CB-CD1 4.01Å; E254-L257 HydrophobicContact CB-CG 4.24Å; E254-L257 HydrophobicContact CG-CD1 4.34Å; E254-L257 PolarHBondContact O-N 2.8Å; E254-L258 WeakPolarHBondContact O-CG 3.33Å; E254-L258 PolarHBondContact O-N 3.34Å; E254-L258 VanDerWaalsContact O-N 3.08Å
255P88.2Confident88.7Confident60 Ų6033.1 Ų33.139%0.3915%0.153SC..Hα-helixtrans-56.8-44.4-171.5-27.236.7000113.5R253 L257 L258 E259 Y289R253-P255 WeakPolarHBondContact O-CD 3.24Å; P255-L257 VanDerWaalsContact C-N 3.33Å; P255-L257 PolarHBondContact O-N 3.25Å; P255-L258 PolarHBondContact O-N 3.2Å; P255-L258 VanDerWaalsContact O-N 3.1Å; P255-E259 WeakPolarHBondContact O-CG 3.47Å; P255-E259 PolarHBondContact O-N 3.32Å; P255-Y289 HydrophobicContact CB-CE2 3.85Å; P255-Y289 HydrophobicContact CG-CE2 4.15Å
256Q85.4Confident89Confident142 Ų14233 Ų3366%0.66415%0.154SC*.Hα-helixtrans-57.7-44.6-179.4-68.2175.6-1500112.2E254 L258 A260E254-Q256 PolarHBondContact O-N 2.97Å; Q256-L258 VanDerWaalsContact C-N 3.35Å; Q256-A260 VanDerWaalsContact O-CB 3.23Å; Q256-A260 WeakPolarHBondContact O-CB 3.41Å; Q256-A260 PolarHBondContact O-N 3.2Å
257L87.5Confident89.3Confident4 Ų436.7 Ų36.72%0.02118%0.177CC..Hα-helixtrans-72.1-29.4178.5-64.8178000112.8I224 L227 A228 L243 L247 E254 P255 A260 I261I224-L257 HydrophobicContact CG2-CD1 4.17Å; L227-L257 HydrophobicContact CB-CD1 4.14Å; L227-L257 HydrophobicContact CB-CD2 3.99Å; L227-L257 WeakPolarHBondContact O-CD2 3.45Å; A228-L257 HydrophobicContact CB-CD2 4.16Å; A228-L257 HydrophobicContact CB-CG 4.32Å; L243-L257 HydrophobicContact CD1-CD1 4.42Å; L243-L257 HydrophobicContact CD2-CD2 4.31Å; L247-L257 HydrophobicContact CD1-CB 3.95Å; L247-L257 HydrophobicContact CD2-CD1 3.99Å; E254-L257 HydrophobicContact CB-CB 4.19Å; E254-L257 HydrophobicContact CB-CD1 4.01Å; E254-L257 HydrophobicContact CB-CG 4.24Å; E254-L257 HydrophobicContact CG-CD1 4.34Å; E254-L257 PolarHBondContact O-N 2.8Å; P255-L257 VanDerWaalsContact C-N 3.33Å; P255-L257 PolarHBondContact O-N 3.25Å; L257-A260 WeakPolarHBondContact O-CB 3.33Å; L257-I261 WeakPolarHBondContact O-CD1 3.25Å; L257-I261 VanDerWaalsContact O-CG1 3.29Å; L257-I261 WeakPolarHBondContact O-CG1 3.18Å; L257-I261 PolarHBondContact O-N 2.93Å
258L90.7Very high89.5Confident0 Ų038.7 Ų38.70%019%0.186CC..Hα-helixtrans-75-44177-69.7168000110.9L247 R253 E254 P255 Q256 A260 I261 A262 P283 F284 L287 Y289L247-L258 HydrophobicContact CD1-CD2 3.97Å; L247-L258 HydrophobicContact CD1-CG 4.35Å; R253-L258 HydrophobicContact CG-CD1 4.26Å; E254-L258 WeakPolarHBondContact O-CG 3.33Å; E254-L258 PolarHBondContact O-N 3.34Å; E254-L258 VanDerWaalsContact O-N 3.08Å; P255-L258 PolarHBondContact O-N 3.2Å; P255-L258 VanDerWaalsContact O-N 3.1Å; Q256-L258 VanDerWaalsContact C-N 3.35Å; L258-A260 VanDerWaalsContact C-N 3.31Å; L258-A260 PolarHBondContact O-N 2.74Å; L258-I261 PolarHBondContact O-N 3.39Å; L258-A262 PolarHBondContact O-N 3.42Å; L258-P283 HydrophobicContact CD2-CB 3.85Å; L258-P283 HydrophobicContact CD2-CG 4.31Å; L258-F284 HydrophobicContact CB-CD1 4.45Å; L258-F284 HydrophobicContact CB-CE1 3.9Å; L258-F284 HydrophobicContact CD2-CD1 4.17Å; L258-F284 HydrophobicContact CD2-CE1 4.07Å; L258-F284 WeakPolarHBondContact O-CE1 3.5Å; L258-F284 VanDerWaalsContact O-CZ 3.26Å; L258-F284 WeakPolarHBondContact O-CZ 3.22Å; L258-L287 HydrophobicContact CD1-CD1 4.18Å; L258-L287 HydrophobicContact CD2-CD1 4.06Å; L258-Y289 HydrophobicContact CB-CD1 3.81Å; L258-Y289 HydrophobicContact CB-CE1 3.69Å; L258-Y289 HydrophobicContact CB-CG 4.27Å; L258-Y289 HydrophobicContact CD1-CD1 3.94Å; L258-Y289 HydrophobicContact CD1-CD2 3.57Å; L258-Y289 HydrophobicContact CD1-CE1 4.41Å; L258-Y289 HydrophobicContact CD1-CE2 4.14Å; L258-Y289 HydrophobicContact CD1-CG 3.51Å; L258-Y289 HydrophobicContact CG-CD1 4.42Å; L258-Y289 HydrophobicContact CG-CG 4.44Å
259E90.5Very high89.7Confident40 Ų4039.3 Ų39.319%0.18719%0.188CC..Hα-helixtrans-61.8-40.1172.8-67.5-52.7143.200111.7P255 I261 A262 H263 Y289 P291 L292 E293P255-E259 WeakPolarHBondContact O-CG 3.47Å; P255-E259 PolarHBondContact O-N 3.32Å; E259-I261 PolarHBondContact O-N 2.93Å; E259-A262 WeakPolarHBondContact O-CB 3.42Å; E259-A262 PolarHBondContact O-N 2.94Å; E259-A262 VanDerWaalsContact O-N 3.1Å; E259-H263 WeakPolarHBondContact O-CB 3.28Å; E259-H263 PolarHBondContact O-N 2.79Å; E259-Y289 WeakPolarHBondContact CG-OH 3.38Å; E259-Y289 WeakPolarHBondContact OE1-CE1 3.39Å; E259-Y289 VanDerWaalsContact OE1-CZ 3.25Å; E259-Y289 PolarHBondContact OE1-OH 3Å; E259-P291 WeakPolarHBondContact OE1-CA 3.46Å; E259-L292 PolarHBondContact OE1-N 3.16Å; E259-L292 PolarHBondContact OE2-N 2.79Å; E259-L292 VanDerWaalsContact OE2-N 3.09Å; E259-E293 PolarHBondContact OE2-N 3.44Å
260A89.9Confident90.1Very high11 Ų1139.2 Ų39.29%0.09120%0.201CC..Hα-helixtrans-53.5-47.5171.600000113.7P232 Q256 L257 L258 A262 F264P232-A260 HydrophobicContact CB-CB 3.51Å; P232-A260 HydrophobicContact CG-CB 3.07Å; Q256-A260 VanDerWaalsContact O-CB 3.23Å; Q256-A260 WeakPolarHBondContact O-CB 3.41Å; Q256-A260 PolarHBondContact O-N 3.2Å; L257-A260 WeakPolarHBondContact O-CB 3.33Å; L258-A260 VanDerWaalsContact C-N 3.31Å; L258-A260 PolarHBondContact O-N 2.74Å; A260-A262 VanDerWaalsContact C-N 3.32Å; A260-F264 VanDerWaalsContact O-CB 3.32Å; A260-F264 WeakPolarHBondContact O-CB 3.32Å; A260-F264 PolarHBondContact O-N 3.18Å
261I92.1Very high90.4Very high0 Ų045.2 Ų45.20%023%0.229CC..Hα-helixtrans-65-38.9176-67.6160.9000110.6M240 L243 A244 L247 L257 L258 E259 F264 L265 L280 P283 F284M240-I261 HydrophobicContact CG-CG1 4.13Å; M240-I261 HydrophobicContact SD-CB 4.37Å; M240-I261 HydrophobicContact SD-CG1 3.5Å; M240-I261 VanDerWaalsContact SD-CG1 3.5Å; L243-I261 HydrophobicContact CG-CD1 4.44Å; A244-I261 HydrophobicContact CB-CD1 3.99Å; L247-I261 HydrophobicContact CD1-CD1 3.79Å; L257-I261 WeakPolarHBondContact O-CD1 3.25Å; L257-I261 VanDerWaalsContact O-CG1 3.29Å; L257-I261 WeakPolarHBondContact O-CG1 3.18Å; L257-I261 PolarHBondContact O-N 2.93Å; L258-I261 PolarHBondContact O-N 3.39Å; E259-I261 PolarHBondContact O-N 2.93Å; I261-F264 PolarHBondContact O-N 3.36Å; I261-L265 HydrophobicContact CG2-CD1 4.3Å; I261-L265 WeakPolarHBondContact O-CG 3.08Å; I261-L265 PolarHBondContact O-N 3.41Å; I261-L280 HydrophobicContact CG2-CB 4.14Å; I261-L280 HydrophobicContact CG2-CD2 4.32Å; I261-P283 HydrophobicContact CD1-CG 4.43Å; I261-F284 HydrophobicContact CB-CZ 3.93Å; I261-F284 HydrophobicContact CG2-CE2 3.83Å; I261-F284 HydrophobicContact CG2-CZ 3.77Å
262A93.4Very high90.6Very high0 Ų043.5 Ų43.50%022%0.223CC..Hα-helixtrans-65.7-45.6179.200000111.3L258 E259 A260 L265 V266 F284 P291 E293 F296L258-A262 PolarHBondContact O-N 3.42Å; E259-A262 WeakPolarHBondContact O-CB 3.42Å; E259-A262 PolarHBondContact O-N 2.94Å; E259-A262 VanDerWaalsContact O-N 3.1Å; A260-A262 VanDerWaalsContact C-N 3.32Å; A262-L265 WeakPolarHBondContact O-CB 3.34Å; A262-L265 PolarHBondContact O-N 2.97Å; A262-V266 WeakPolarHBondContact O-CG2 3.16Å; A262-V266 PolarHBondContact O-N 2.98Å; A262-F284 HydrophobicContact CB-CE1 4.3Å; A262-F284 HydrophobicContact CB-CZ 3.87Å; A262-P291 HydrophobicContact CB-CB 3.64Å; A262-P291 HydrophobicContact CB-CG 3.86Å; A262-E293 HydrophobicContact CB-CB 4.1Å; A262-F296 HydrophobicContact CB-CD2 3.75Å; A262-F296 HydrophobicContact CB-CE2 4.19Å
263H91.5Very high90.8Very high64 Ų6445.4 Ų45.430%0.29624%0.236SC..Hα-helixtrans-62.4-45.4175.4-171.867.1000111.5E233 E259 L265 V266 V267 E293E233-H263 IonicContact OE1-CD2 3.87Å; E233-H263 IonicContact OE1-NE2 2.78Å; E259-H263 WeakPolarHBondContact O-CB 3.28Å; E259-H263 PolarHBondContact O-N 2.79Å; H263-L265 VanDerWaalsContact C-N 3.29Å; H263-L265 PolarHBondContact O-N 3.04Å; H263-V266 WeakPolarHBondContact O-CB 3.34Å; H263-V266 PolarHBondContact O-N 3Å; H263-V267 WeakPolarHBondContact NE2-CG2 3.36Å; H263-V267 WeakPolarHBondContact O-CG2 3.41Å; H263-V267 PolarHBondContact O-N 3.05Å; H263-E293 IonicContact ND1-OE2 3.85Å; H263-E293 PolarHBondContact ND1-OE2 3.33Å
264F92.6Very high90.9Very high5 Ų542.1 Ų42.12%0.02222%0.224CC..Hα-helixtrans-56.5-42175.2179.2-89000112.6L235 P237 M240 A260 I261 V266 V267 Q268 L272 L280L235-F264 WeakPolarHBondContact O-CE2 3.38Å; P237-F264 HydrophobicContact CB-CE1 4.39Å; P237-F264 HydrophobicContact CB-CZ 4.04Å; P237-F264 HydrophobicContact CG-CZ 3.89Å; M240-F264 HydrophobicContact CB-CD1 4.24Å; M240-F264 HydrophobicContact CB-CE1 4.12Å; M240-F264 HydrophobicContact CB-CZ 4.35Å; M240-F264 HydrophobicContact CE-CB 3.97Å; M240-F264 HydrophobicContact CE-CD2 3.82Å; M240-F264 HydrophobicContact CE-CG 3.87Å; M240-F264 HydrophobicContact CG-CB 4.45Å; M240-F264 HydrophobicContact CG-CD1 3.81Å; M240-F264 HydrophobicContact CG-CE1 4.2Å; M240-F264 HydrophobicContact CG-CG 4.02Å; A260-F264 VanDerWaalsContact O-CB 3.32Å; A260-F264 WeakPolarHBondContact O-CB 3.32Å; A260-F264 PolarHBondContact O-N 3.18Å; I261-F264 PolarHBondContact O-N 3.36Å; F264-V266 VanDerWaalsContact C-N 3.31Å; F264-V266 PolarHBondContact O-N 3.17Å; F264-V267 PolarHBondContact O-N 2.89Å; F264-Q268 HydrophobicContact CD2-CG 4.13Å; F264-Q268 HydrophobicContact CE1-CB 4.33Å; F264-Q268 HydrophobicContact CE1-CG 4.21Å; F264-Q268 HydrophobicContact CE2-CG 3.77Å; F264-Q268 HydrophobicContact CG-CG 4.5Å; F264-Q268 HydrophobicContact CZ-CB 4.35Å; F264-Q268 HydrophobicContact CZ-CG 3.81Å; F264-Q268 WeakPolarHBondContact O-CB 3.37Å; F264-Q268 PolarHBondContact O-N 3.43Å; F264-L272 HydrophobicContact CE1-CD1 4.25Å; F264-L272 HydrophobicContact CE1-CD2 4.21Å; F264-L280 HydrophobicContact CD1-CD1 4.13Å; F264-L280 HydrophobicContact CE1-CD1 4.09Å
265L93.8Very high91.1Very high1 Ų144.8 Ų44.81%0.00524%0.235CC..Hα-helixtrans-60-40.1175.5-83.3164.3000112.3I261 A262 H263 E269 L272 V277 L280 V281 F284 F296 C299I261-L265 HydrophobicContact CG2-CD1 4.3Å; I261-L265 WeakPolarHBondContact O-CG 3.08Å; I261-L265 PolarHBondContact O-N 3.41Å; A262-L265 WeakPolarHBondContact O-CB 3.34Å; A262-L265 PolarHBondContact O-N 2.97Å; H263-L265 VanDerWaalsContact C-N 3.29Å; H263-L265 PolarHBondContact O-N 3.04Å; L265-E269 WeakPolarHBondContact O-CA 3.46Å; L265-E269 PolarHBondContact O-N 3.34Å; L265-L272 HydrophobicContact CD2-CD1 3.85Å; L265-V277 HydrophobicContact CD2-CB 4.41Å; L265-V277 HydrophobicContact CD2-CG1 4.05Å; L265-V277 HydrophobicContact CD2-CG2 4.07Å; L265-L280 HydrophobicContact CD1-CB 4.05Å; L265-L280 HydrophobicContact CD2-CB 3.93Å; L265-L280 HydrophobicContact CD2-CD1 3.63Å; L265-L280 HydrophobicContact CD2-CG 4.43Å; L265-L280 HydrophobicContact CG-CB 4.12Å; L265-L280 HydrophobicContact CG-CD1 4.06Å; L265-V281 HydrophobicContact CD1-CG2 4.02Å; L265-F284 HydrophobicContact CD1-CE2 4.07Å; L265-F296 HydrophobicContact CD1-CD2 4.42Å; L265-F296 HydrophobicContact CD1-CE2 3.75Å; L265-C299 PolarHBondContact O-SG 2.84Å; L265-C299 VanDerWaalsContact O-SG 3.32Å
266V93.8Very high91.4Very high29 Ų2943.6 Ų43.618%0.17623%0.226CC..Hα-helixtrans-69.6-48.5178.4173.60000111A262 H263 F264 Q268 E269 E293 Q295 C299A262-V266 WeakPolarHBondContact O-CG2 3.16Å; A262-V266 PolarHBondContact O-N 2.98Å; H263-V266 WeakPolarHBondContact O-CB 3.34Å; H263-V266 PolarHBondContact O-N 3Å; F264-V266 VanDerWaalsContact C-N 3.31Å; F264-V266 PolarHBondContact O-N 3.17Å; V266-Q268 PolarHBondContact O-N 2.77Å; V266-E269 WeakPolarHBondContact O-CB 3.04Å; V266-E269 PolarHBondContact O-N 3.13Å; V266-E293 HydrophobicContact CG2-CG 3.76Å; V266-Q295 HydrophobicContact CB-CB 4.44Å; V266-Q295 HydrophobicContact CG1-CB 3.67Å; V266-Q295 HydrophobicContact CG1-CG 4.43Å; V266-Q295 HydrophobicContact CG2-CB 3.83Å; V266-C299 HydrophobicContact CG2-CB 4.1Å
267V91.6Very high91.8Very high81 Ų8136.9 Ų36.949%0.49120%0.195SC..Hα-helixtrans-65.3-39.2-177.81740000111.9H263 F264H263-V267 WeakPolarHBondContact NE2-CG2 3.36Å; H263-V267 WeakPolarHBondContact O-CG2 3.41Å; H263-V267 PolarHBondContact O-N 3.05Å; F264-V267 PolarHBondContact O-N 2.89Å
268Q91.2Very high92.1Very high42 Ų4237.7 Ų37.720%0.19620%0.198CC..THydrogen-bonded Turntrans-96.213.5-175.4-62.3-67.5-21.300113.6F264 V266 T270 Q271 L272F264-Q268 HydrophobicContact CD2-CG 4.13Å; F264-Q268 HydrophobicContact CE1-CB 4.33Å; F264-Q268 HydrophobicContact CE1-CG 4.21Å; F264-Q268 HydrophobicContact CE2-CG 3.77Å; F264-Q268 HydrophobicContact CG-CG 4.5Å; F264-Q268 HydrophobicContact CZ-CB 4.35Å; F264-Q268 HydrophobicContact CZ-CG 3.81Å; F264-Q268 WeakPolarHBondContact O-CB 3.37Å; F264-Q268 PolarHBondContact O-N 3.43Å; V266-Q268 PolarHBondContact O-N 2.77Å; Q268-T270 VanDerWaalsContact C-N 3.26Å; Q268-T270 PolarHBondContact O-N 3.17Å; Q268-Q271 PolarHBondContact O-N 3.31Å; Q268-L272 HydrophobicContact CB-CD1 3.91Å; Q268-L272 HydrophobicContact CB-CD2 4.43Å; Q268-L272 HydrophobicContact CB-CG 3.94Å; Q268-L272 VanDerWaalsContact O-CG 3.31Å; Q268-L272 WeakPolarHBondContact O-CG 3.49Å; Q268-L272 PolarHBondContact O-N 3.09Å
269E93.1Very high92.3Very high17 Ų1740.3 Ų40.38%0.07921%0.21CC..THydrogen-bonded Turntrans-48.2-42.5-170.8-179.3-171.9151.600114.5L265 V266 Q271 R302 I303 R306L265-E269 WeakPolarHBondContact O-CA 3.46Å; L265-E269 PolarHBondContact O-N 3.34Å; V266-E269 WeakPolarHBondContact O-CB 3.04Å; V266-E269 PolarHBondContact O-N 3.13Å; E269-Q271 VanDerWaalsContact C-N 3.32Å; E269-Q271 PolarHBondContact O-N 3.26Å; E269-R302 WeakPolarHBondContact OE1-CB 3.29Å; E269-R302 IonicContact OE1-CZ 3.82Å; E269-R302 IonicContact OE1-NE 3.58Å; E269-R302 PolarHBondContact OE1-NE 2.95Å; E269-R302 IonicContact OE1-NH1 2.66Å; E269-R302 PolarHBondContact OE1-NH1 3.01Å; E269-R302 IonicContact OE1-NH2 3.02Å; E269-R302 IonicContact OE2-CZ 3.81Å; E269-R302 IonicContact OE2-NE 3.03Å; E269-R302 IonicContact OE2-NH1 3.19Å; E269-R302 PolarHBondContact OE2-NH1 3.36Å; E269-R302 IonicContact OE2-NH2 3.51Å; E269-R302 PolarHBondContact OE2-NH2 2.86Å; E269-I303 HydrophobicContact CG-CD1 3.98Å; E269-I303 HydrophobicContact CG-CG1 3.78Å; E269-R306 PolarHBondContact O-NH2 2.96Å
270T90.7Very high92.5Very high113 Ų11338.4 Ų38.469%0.69320%0.201SC*.THydrogen-bonded Turntrans-72.8-24.3-176.654.40000113.1Q268Q268-T270 VanDerWaalsContact C-N 3.26Å; Q268-T270 PolarHBondContact O-N 3.17Å
271Q89.5Confident92.8Very high148 Ų14837.9 Ų37.969%0.69220%0.197SC*.THydrogen-bonded Turntrans-95.7-17-175.6-56-173.629.600112.9Q268 E269Q268-Q271 PolarHBondContact O-N 3.31Å; E269-Q271 VanDerWaalsContact C-N 3.32Å; E269-Q271 PolarHBondContact O-N 3.26Å
272L91.9Very high92.9Very high6 Ų638.4 Ų38.43%0.03120%0.2CC..  trans-88.8129.1-174.2-62.9176.2000112.2P237 F264 L265 Q268 V276 V277 L280 R306P237-L272 HydrophobicContact CB-CD2 4.15Å; P237-L272 HydrophobicContact CG-CD2 4.41Å; F264-L272 HydrophobicContact CE1-CD1 4.25Å; F264-L272 HydrophobicContact CE1-CD2 4.21Å; L265-L272 HydrophobicContact CD2-CD1 3.85Å; Q268-L272 HydrophobicContact CB-CD1 3.91Å; Q268-L272 HydrophobicContact CB-CD2 4.43Å; Q268-L272 HydrophobicContact CB-CG 3.94Å; Q268-L272 VanDerWaalsContact O-CG 3.31Å; Q268-L272 WeakPolarHBondContact O-CG 3.49Å; Q268-L272 PolarHBondContact O-N 3.09Å; L272-V276 HydrophobicContact CD2-CG1 3.89Å; L272-V277 HydrophobicContact CB-CG2 3.74Å; L272-V277 HydrophobicContact CD1-CG2 4.38Å; L272-L280 HydrophobicContact CD1-CD1 4.1Å; L272-R306 PolarHBondContact O-NH2 3.02Å; L272-R306 VanDerWaalsContact O-NH2 3.12Å
273S92.5Very high92.9Very high44 Ų4438.4 Ų38.431%0.30820%0.2SC..  trans-83.5154.2168.865.20000111.5K275 V276 V277S273-K275 PolarHBondContact O-N 3.01Å; S273-V276 PolarHBondContact O-N 3.38Å; S273-V277 WeakPolarHBondContact O-CG2 3.37Å; S273-V277 PolarHBondContact O-N 2.96Å
274S91.4Very high93Very high2 Ų235.4 Ų35.41%0.01419%0.185CC..Hα-helixtrans-52.6-31.7174.953.90000113.2V276 V277 Q278 E307 A311 A314S274-V276 VanDerWaalsContact C-N 3.32Å; S274-V276 PolarHBondContact O-N 3.06Å; S274-V277 PolarHBondContact O-N 3.47Å; S274-Q278 PolarHBondContact O-N 3.02Å; S274-E307 PolarHBondContact N-OE2 3Å; S274-A311 WeakPolarHBondContact OG-CB 3.48Å; S274-A314 WeakPolarHBondContact O-CB 3.21Å
275K91.6Very high93Very high131 Ų13135.1 Ų35.157%0.5718%0.184SC*.Hα-helixtrans-64.3-32.3177.3-67.8-177.6-175.2171.70113.6S273 Q278 A311S273-K275 PolarHBondContact O-N 3.01Å; K275-Q278 WeakPolarHBondContact O-CG 3.38Å; K275-Q278 PolarHBondContact O-NE2 2.93Å; K275-A311 HydrophobicContact CG-CB 4.12Å
276V93.8Very high93Very high36 Ų3637 Ų3722%0.21819%0.191CC..Hα-helixtrans-83-46.9175.4176.10000109.5V241 L272 S273 S274 Q278 K279 L280V241-V276 HydrophobicContact CG2-CG1 3.73Å; L272-V276 HydrophobicContact CD2-CG1 3.89Å; S273-V276 PolarHBondContact O-N 3.38Å; S274-V276 VanDerWaalsContact C-N 3.32Å; S274-V276 PolarHBondContact O-N 3.06Å; V276-Q278 VanDerWaalsContact C-N 3.33Å; V276-Q278 PolarHBondContact O-N 2.95Å; V276-K279 WeakPolarHBondContact O-CB 3.27Å; V276-K279 PolarHBondContact O-N 3.27Å; V276-L280 HydrophobicContact CG1-CD1 3.96Å; V276-L280 HydrophobicContact CG1-CG 4.32Å; V276-L280 PolarHBondContact O-N 3.19Å
277V95.2Very high92.9Very high0 Ų035.6 Ų35.60%018%0.183CC..Hα-helixtrans-57-42.5-177.7175.50000112L265 L272 S273 S274 K279 L280 V281 L300 I303 I318L265-V277 HydrophobicContact CD2-CB 4.41Å; L265-V277 HydrophobicContact CD2-CG1 4.05Å; L265-V277 HydrophobicContact CD2-CG2 4.07Å; L272-V277 HydrophobicContact CB-CG2 3.74Å; L272-V277 HydrophobicContact CD1-CG2 4.38Å; S273-V277 WeakPolarHBondContact O-CG2 3.37Å; S273-V277 PolarHBondContact O-N 2.96Å; S274-V277 PolarHBondContact O-N 3.47Å; V277-K279 PolarHBondContact O-N 3.34Å; V277-K279 VanDerWaalsContact O-N 3.09Å; V277-L280 PolarHBondContact O-N 3.35Å; V277-L280 VanDerWaalsContact O-N 3.1Å; V277-V281 HydrophobicContact CG1-CG2 3.81Å; V277-V281 WeakPolarHBondContact O-CB 3.29Å; V277-V281 WeakPolarHBondContact O-CG2 3.45Å; V277-V281 PolarHBondContact O-N 2.86Å; V277-L300 HydrophobicContact CG1-CD2 3.67Å; V277-I303 HydrophobicContact CG1-CG2 4.46Å; V277-I303 HydrophobicContact CG2-CD1 4.07Å; V277-I303 HydrophobicContact CG2-CG2 4.15Å; V277-I318 HydrophobicContact CB-CD1 4.17Å; V277-I318 HydrophobicContact CG1-CD1 3.79Å; V277-I318 HydrophobicContact CG1-CG1 4.31Å
278Q94.2Very high92.9Very high21 Ų2134 Ų3410%0.09817%0.172CC..Hα-helixtrans-56.9-29.6176.570175.4-50.400113.6S274 K275 V276 L282 A314 N317 I318S274-Q278 PolarHBondContact O-N 3.02Å; K275-Q278 WeakPolarHBondContact O-CG 3.38Å; K275-Q278 PolarHBondContact O-NE2 2.93Å; V276-Q278 VanDerWaalsContact C-N 3.33Å; V276-Q278 PolarHBondContact O-N 2.95Å; Q278-L282 PolarHBondContact O-N 3.28Å; Q278-A314 HydrophobicContact CB-CB 4.25Å; Q278-A314 HydrophobicContact CG-CB 4.16Å; Q278-A314 VanDerWaalsContact NE2-CB 3.28Å; Q278-N317 HydrophobicContact CB-CB 4.16Å; Q278-N317 PolarHBondContact OE1-ND2 3.43Å; Q278-I318 HydrophobicContact CB-CD1 4.38Å; Q278-I318 HydrophobicContact CB-CG1 3.84Å
279K94.1Very high93.1Very high56 Ų5632.7 Ų32.724%0.24317%0.165CC..Hα-helixtrans-81.8-36.5179.9-55.5177.6-170176.60111.1N33 V241 A244 V276 V277 L282N33-K279 HydrophobicContact CB-CG 4.42Å; N33-K279 VanDerWaalsContact ND2-CE 3.35Å; N33-K279 WeakPolarHBondContact ND2-CE 3.5Å; V241-K279 HydrophobicContact CG1-CB 3.94Å; V241-K279 HydrophobicContact CG1-CD 3.42Å; V241-K279 VanDerWaalsContact CG1-CD 3.42Å; V241-K279 HydrophobicContact CG1-CG 4.34Å; V241-K279 HydrophobicContact CG2-CB 4.18Å; V241-K279 HydrophobicContact CG2-CD 4.27Å; A244-K279 WeakPolarHBondContact CB-O 3.31Å; V276-K279 WeakPolarHBondContact O-CB 3.27Å; V276-K279 PolarHBondContact O-N 3.27Å; V277-K279 PolarHBondContact O-N 3.34Å; V277-K279 VanDerWaalsContact O-N 3.09Å; K279-L282 WeakPolarHBondContact O-CB 3.37Å
280L94.9Very high93.1Very high0 Ų036.4 Ų36.40%019%0.185CC..Hα-helixtrans-69.8-35.6175.3-64.7178.6000111.9M240 V241 A244 I261 F264 L265 L272 V276 V277 P283 F284M240-L280 HydrophobicContact CB-CD2 3.89Å; M240-L280 HydrophobicContact CG-CD2 3.58Å; V241-L280 HydrophobicContact CB-CD2 4.49Å; V241-L280 HydrophobicContact CG2-CD2 3.85Å; V241-L280 HydrophobicContact CG2-CG 4.09Å; A244-L280 HydrophobicContact CB-CD2 4.21Å; I261-L280 HydrophobicContact CG2-CB 4.14Å; I261-L280 HydrophobicContact CG2-CD2 4.32Å; F264-L280 HydrophobicContact CD1-CD1 4.13Å; F264-L280 HydrophobicContact CE1-CD1 4.09Å; L265-L280 HydrophobicContact CD1-CB 4.05Å; L265-L280 HydrophobicContact CD2-CB 3.93Å; L265-L280 HydrophobicContact CD2-CD1 3.63Å; L265-L280 HydrophobicContact CD2-CG 4.43Å; L265-L280 HydrophobicContact CG-CB 4.12Å; L265-L280 HydrophobicContact CG-CD1 4.06Å; L272-L280 HydrophobicContact CD1-CD1 4.1Å; V276-L280 HydrophobicContact CG1-CD1 3.96Å; V276-L280 HydrophobicContact CG1-CG 4.32Å; V276-L280 PolarHBondContact O-N 3.19Å; V277-L280 PolarHBondContact O-N 3.35Å; V277-L280 VanDerWaalsContact O-N 3.1Å; L280-P283 VanDerWaalsContact O-CD 3.26Å; L280-P283 WeakPolarHBondContact O-CD 3.43Å; L280-P283 WeakPolarHBondContact O-CG 3.5Å; L280-F284 WeakPolarHBondContact O-CE2 3.37Å
281V95.5Very high93.1Very high0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-78.9-26.8-179.6175.80000112.8L265 V277 F284 L300L265-V281 HydrophobicContact CD1-CG2 4.02Å; V277-V281 HydrophobicContact CG1-CG2 3.81Å; V277-V281 WeakPolarHBondContact O-CB 3.29Å; V277-V281 WeakPolarHBondContact O-CG2 3.45Å; V277-V281 PolarHBondContact O-N 2.86Å; V281-F284 WeakPolarHBondContact O-CB 3.44Å; V281-F284 WeakPolarHBondContact O-CD2 3.46Å; V281-F284 PolarHBondContact O-N 2.93Å; V281-F284 VanDerWaalsContact O-N 3.07Å; V281-L300 HydrophobicContact CG2-CD1 4.13Å; V281-L300 HydrophobicContact CG2-CD2 3.65Å
282L93.7Very high93.1Very high11 Ų1130.8 Ų30.86%0.05816%0.155CC..Hα-helixtrans-45.7-50.1-179.3178.767.6000115.2M35 V38 A248 Q278 K279 F284 R286M35-L282 HydrophobicContact CG-CD1 4.32Å; V38-L282 HydrophobicContact CG2-CD2 4.47Å; A248-L282 HydrophobicContact CB-CD2 4.12Å; A248-L282 HydrophobicContact CB-CG 4.2Å; Q278-L282 PolarHBondContact O-N 3.28Å; K279-L282 WeakPolarHBondContact O-CB 3.37Å; L282-F284 VanDerWaalsContact C-N 3.31Å; L282-F284 PolarHBondContact O-N 3.39Å; L282-R286 WeakPolarHBondContact O-CB 3.46Å; L282-R286 PolarHBondContact O-N 3.19Å
283P93.3Very high92.9Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-60.2-36.7179.823.6-36.6000113.2A244 L247 A248 L258 I261 L280 R286 L287A244-P283 HydrophobicContact CB-CG 3.84Å; L247-P283 HydrophobicContact CB-CB 4.42Å; A248-P283 HydrophobicContact CB-CB 4.29Å; L258-P283 HydrophobicContact CD2-CB 3.85Å; L258-P283 HydrophobicContact CD2-CG 4.31Å; I261-P283 HydrophobicContact CD1-CG 4.43Å; L280-P283 VanDerWaalsContact O-CD 3.26Å; L280-P283 WeakPolarHBondContact O-CD 3.43Å; L280-P283 WeakPolarHBondContact O-CG 3.5Å; P283-R286 PolarHBondContact O-N 3.37Å; P283-L287 HydrophobicContact CB-CD1 3.94Å; P283-L287 WeakPolarHBondContact O-CB 3.24Å; P283-L287 WeakPolarHBondContact O-CG 3.34Å; P283-L287 PolarHBondContact O-N 3.17Å
284F95.4Very high92.9Very high0 Ų038.2 Ų38.20%019%0.185CC..Hα-helixtrans-60.3-52.9-179.6-58.3-63000111.4L258 I261 A262 L265 L280 V281 L282 N288 Y289 P291 F296 L325L258-F284 HydrophobicContact CB-CD1 4.45Å; L258-F284 HydrophobicContact CB-CE1 3.9Å; L258-F284 HydrophobicContact CD2-CD1 4.17Å; L258-F284 HydrophobicContact CD2-CE1 4.07Å; L258-F284 WeakPolarHBondContact O-CE1 3.5Å; L258-F284 VanDerWaalsContact O-CZ 3.26Å; L258-F284 WeakPolarHBondContact O-CZ 3.22Å; I261-F284 HydrophobicContact CB-CZ 3.93Å; I261-F284 HydrophobicContact CG2-CE2 3.83Å; I261-F284 HydrophobicContact CG2-CZ 3.77Å; A262-F284 HydrophobicContact CB-CE1 4.3Å; A262-F284 HydrophobicContact CB-CZ 3.87Å; L265-F284 HydrophobicContact CD1-CE2 4.07Å; L280-F284 WeakPolarHBondContact O-CE2 3.37Å; V281-F284 WeakPolarHBondContact O-CB 3.44Å; V281-F284 WeakPolarHBondContact O-CD2 3.46Å; V281-F284 PolarHBondContact O-N 2.93Å; V281-F284 VanDerWaalsContact O-N 3.07Å; L282-F284 VanDerWaalsContact C-N 3.31Å; L282-F284 PolarHBondContact O-N 3.39Å; F284-N288 PolarHBondContact O-N 3.21Å; F284-N288 VanDerWaalsContact O-N 3.09Å; F284-Y289 WeakPolarHBondContact CB-O 3.27Å; F284-Y289 AromaticContact CD1-CD1 3.89Å; F284-Y289 HydrophobicContact CD1-CD1 3.89Å; F284-Y289 HydrophobicContact CE1-CD1 4.25Å; F284-Y289 PolarHBondContact O-N 2.85Å; F284-P291 HydrophobicContact CD1-CG 3.55Å; F284-P291 HydrophobicContact CE1-CG 3.47Å; F284-P291 VanDerWaalsContact CE1-CG 3.47Å; F284-P291 HydrophobicContact CG-CG 4.13Å; F284-P291 HydrophobicContact CZ-CG 4.03Å; F284-F296 AromaticContact CD2-CE2 3.91Å; F284-F296 HydrophobicContact CD2-CE2 3.91Å; F284-F296 AromaticContact CD2-CZ 3.62Å; F284-F296 HydrophobicContact CD2-CZ 3.62Å; F284-F296 AromaticContact CE2-CE2 3.62Å; F284-F296 HydrophobicContact CE2-CE2 3.62Å; F284-F296 AromaticContact CE2-CZ 3.86Å; F284-F296 HydrophobicContact CE2-CZ 3.86Å; F284-F296 HydrophobicContact CG-CZ 4.19Å; F284-F296 HydrophobicContact CZ-CE2 4.14Å; F284-L325 HydrophobicContact CB-CD1 3.91Å; F284-L325 WeakPolarHBondContact O-CD2 3.48Å
285G92.6Very high93Very high0 Ų042.7 Ų42.70%021%0.206CC..Hα-helixtrans-58.9-53.9175.300000111.5L287 N288 S321 Q324 G496G285-L287 PolarHBondContact O-N 3.38Å; G285-N288 PolarHBondContact O-N 3.47Å; G285-N288 VanDerWaalsContact O-N 3.17Å; G285-S321 WeakPolarHBondContact CA-O 3.25Å; G285-Q324 PolarHBondContact O-OE1 3.45Å; G285-G496 VanDerWaalsContact O-CA 3.29Å; G285-G496 WeakPolarHBondContact O-CA 2.94Å
286R92.2Very high93.1Very high40 Ų4036.6 Ų36.615%0.15118%0.179CC..Hα-helixtrans-62.1-41.4-174.1-178.3173.1176.984.3-11.3113.5A248 L282 P283 N288 L495 G496A248-R286 VanDerWaalsContact O-CD 3.32Å; A248-R286 WeakPolarHBondContact O-CD 3.31Å; A248-R286 PolarHBondContact O-NE 3.31Å; L282-R286 WeakPolarHBondContact O-CB 3.46Å; L282-R286 PolarHBondContact O-N 3.19Å; P283-R286 PolarHBondContact O-N 3.37Å; R286-N288 VanDerWaalsContact C-N 3.27Å; R286-L495 WeakPolarHBondContact O-CA 3.36Å; R286-L495 WeakPolarHBondContact O-CB 3.36Å; R286-L495 WeakPolarHBondContact O-CD2 3.32Å; R286-G496 PolarHBondContact O-N 2.94Å
287L92.5Very high93.1Very high0 Ų037.2 Ų37.20%018%0.18CC..THydrogen-bonded Turntrans-89.83.8-176.7-53.6173.1000112.4L247 R251 L252 R253 L258 P283 G285 Y289 L495L247-L287 HydrophobicContact CB-CD1 4.23Å; R251-L287 VanDerWaalsContact CA-CD2 3.48Å; R251-L287 HydrophobicContact CB-CD2 4.28Å; L252-L287 WeakPolarHBondContact O-CD1 3.3Å; R253-L287 HydrophobicContact CG-CB 4.39Å; L258-L287 HydrophobicContact CD1-CD1 4.18Å; L258-L287 HydrophobicContact CD2-CD1 4.06Å; P283-L287 HydrophobicContact CB-CD1 3.94Å; P283-L287 WeakPolarHBondContact O-CB 3.24Å; P283-L287 WeakPolarHBondContact O-CG 3.34Å; P283-L287 PolarHBondContact O-N 3.17Å; G285-L287 PolarHBondContact O-N 3.38Å; L287-Y289 VanDerWaalsContact C-N 3.28Å; L287-Y289 PolarHBondContact O-N 3.09Å; L287-L495 HydrophobicContact CD2-CD2 4.47Å
288N91.9Very high93.1Very high48 Ų4839.7 Ų39.726%0.25720%0.197SC..THydrogen-bonded Turntrans50.751.6-178.7-163.932.3000111F284 G285 R286 V493 L494F284-N288 PolarHBondContact O-N 3.21Å; F284-N288 VanDerWaalsContact O-N 3.09Å; G285-N288 PolarHBondContact O-N 3.47Å; G285-N288 VanDerWaalsContact O-N 3.17Å; R286-N288 VanDerWaalsContact C-N 3.27Å; N288-V493 HydrophobicContact CB-CG1 4.09Å; N288-L494 VanDerWaalsContact CB-O 3.27Å; N288-L494 WeakPolarHBondContact CB-O 3.39Å
289Y94.5Very high93.2Very high14 Ų1438.8 Ų38.86%0.05519%0.192CC..  trans-119.7115.8-178.5-174.6-81.2000109R253 P255 L258 E259 F284 L287 P291 L325R253-Y289 HydrophobicContact CG-CD2 4.19Å; R253-Y289 VanDerWaalsContact CZ-CD2 3.42Å; R253-Y289 VanDerWaalsContact NH2-CD2 3.34Å; P255-Y289 HydrophobicContact CB-CE2 3.85Å; P255-Y289 HydrophobicContact CG-CE2 4.15Å; L258-Y289 HydrophobicContact CB-CD1 3.81Å; L258-Y289 HydrophobicContact CB-CE1 3.69Å; L258-Y289 HydrophobicContact CB-CG 4.27Å; L258-Y289 HydrophobicContact CD1-CD1 3.94Å; L258-Y289 HydrophobicContact CD1-CD2 3.57Å; L258-Y289 HydrophobicContact CD1-CE1 4.41Å; L258-Y289 HydrophobicContact CD1-CE2 4.14Å; L258-Y289 HydrophobicContact CD1-CG 3.51Å; L258-Y289 HydrophobicContact CG-CD1 4.42Å; L258-Y289 HydrophobicContact CG-CG 4.44Å; E259-Y289 WeakPolarHBondContact CG-OH 3.38Å; E259-Y289 WeakPolarHBondContact OE1-CE1 3.39Å; E259-Y289 VanDerWaalsContact OE1-CZ 3.25Å; E259-Y289 PolarHBondContact OE1-OH 3Å; F284-Y289 WeakPolarHBondContact CB-O 3.27Å; F284-Y289 AromaticContact CD1-CD1 3.89Å; F284-Y289 HydrophobicContact CD1-CD1 3.89Å; F284-Y289 HydrophobicContact CE1-CD1 4.25Å; F284-Y289 PolarHBondContact O-N 2.85Å; L287-Y289 VanDerWaalsContact C-N 3.28Å; L287-Y289 PolarHBondContact O-N 3.09Å; Y289-P291 HydrophobicContact CD1-CG 4.47Å; Y289-L325 WeakPolarHBondContact O-CD2 3.48Å
290L92.8Very high93.3Very high95 Ų9536.2 Ų36.250%0.49718%0.181SC..  trans-93120.2171.9-177.465000108.4M297L290-M297 HydrophobicContact CD1-CE 3.63Å
291P92.7Very high93.2Very high13 Ų1340.6 Ų40.68%0.08420%0.202CC..  trans-60.2148.8177.5-26.737.6000114.1E259 A262 F284 Y289 E293 F296E259-P291 WeakPolarHBondContact OE1-CA 3.46Å; A262-P291 HydrophobicContact CB-CB 3.64Å; A262-P291 HydrophobicContact CB-CG 3.86Å; F284-P291 HydrophobicContact CD1-CG 3.55Å; F284-P291 HydrophobicContact CE1-CG 3.47Å; F284-P291 VanDerWaalsContact CE1-CG 3.47Å; F284-P291 HydrophobicContact CG-CG 4.13Å; F284-P291 HydrophobicContact CZ-CG 4.03Å; Y289-P291 HydrophobicContact CD1-CG 4.47Å; P291-E293 HydrophobicContact CB-CB 4.46Å; P291-F296 HydrophobicContact CB-CB 4.42Å; P291-F296 HydrophobicContact CB-CD1 4.4Å; P291-F296 HydrophobicContact CB-CD2 4.41Å; P291-F296 HydrophobicContact CB-CG 4.17Å; P291-F296 HydrophobicContact CG-CD1 3.95Å; P291-F296 HydrophobicContact CG-CD2 4.04Å; P291-F296 HydrophobicContact CG-CE1 3.94Å; P291-F296 HydrophobicContact CG-CE2 4.01Å; P291-F296 HydrophobicContact CG-CG 4Å; P291-F296 HydrophobicContact CG-CZ 3.95Å
292L89.5Confident93.2Very high129 Ų12946.3 Ų46.368%0.67522%0.223SC*.SBendtrans-80.5-22.4172.1-61.4177.5000112.2E259 Q294E259-L292 PolarHBondContact OE1-N 3.16Å; E259-L292 PolarHBondContact OE2-N 2.79Å; E259-L292 VanDerWaalsContact OE2-N 3.09Å; L292-Q294 PolarHBondContact O-N 3.49Å; L292-Q294 VanDerWaalsContact O-N 3.08Å; L292-Q294 PolarHBondContact O-NE2 3.18Å
293E87.7Confident93.2Very high49 Ų4945.8 Ų45.823%0.22922%0.221CC..  trans-54.1108.3173.7177.154.9-92.500111.7E259 A262 H263 V266 P291 Q295 F296E259-E293 PolarHBondContact OE2-N 3.44Å; A262-E293 HydrophobicContact CB-CB 4.1Å; H263-E293 IonicContact ND1-OE2 3.85Å; H263-E293 PolarHBondContact ND1-OE2 3.33Å; V266-E293 HydrophobicContact CG2-CG 3.76Å; P291-E293 HydrophobicContact CB-CB 4.46Å; E293-Q295 VanDerWaalsContact C-N 3.26Å; E293-Q295 PolarHBondContact O-N 3.19Å; E293-Q295 PolarHBondContact OE1-N 3.18Å; E293-F296 HydrophobicContact CB-CB 4.26Å; E293-F296 HydrophobicContact CG-CB 4.21Å; E293-F296 WeakPolarHBondContact O-CB 3.39Å; E293-F296 PolarHBondContact O-N 3.25Å; E293-F296 VanDerWaalsContact O-N 3.1Å
294Q91Very high93.3Very high158 Ų15846 Ų4674%0.73822%0.222SC*.THydrogen-bonded Turntrans-66.2-29.6-173.3-62.6-60-54.200112.3L292 F296 P298L292-Q294 PolarHBondContact O-N 3.49Å; L292-Q294 VanDerWaalsContact O-N 3.08Å; L292-Q294 PolarHBondContact O-NE2 3.18Å; Q294-F296 VanDerWaalsContact C-N 3.25Å; Q294-F296 PolarHBondContact O-N 3.29Å; Q294-P298 WeakPolarHBondContact O-CD 3.3Å
295Q94.7Very high93.1Very high95 Ų9550.2 Ų50.244%0.44426%0.256SS..THydrogen-bonded Turntrans-80.1-5.7178.6-64.4-58-35.100113.2V266 E293 M297 P298 C299V266-Q295 HydrophobicContact CB-CB 4.44Å; V266-Q295 HydrophobicContact CG1-CB 3.67Å; V266-Q295 HydrophobicContact CG1-CG 4.43Å; V266-Q295 HydrophobicContact CG2-CB 3.83Å; E293-Q295 VanDerWaalsContact C-N 3.26Å; E293-Q295 PolarHBondContact O-N 3.19Å; E293-Q295 PolarHBondContact OE1-N 3.18Å; Q295-M297 PolarHBondContact O-N 2.85Å; Q295-P298 WeakPolarHBondContact O-CD 3.47Å; Q295-C299 WeakPolarHBondContact O-CB 3.3Å; Q295-C299 PolarHBondContact O-N 2.64Å
296F93.4Very high93Very high3 Ų355.1 Ų55.11%0.01328%0.275CS..Hα-helixtrans-57.6-51.6-176.4178.5-102.1000112.7A262 L265 F284 P291 E293 Q294 L300A262-F296 HydrophobicContact CB-CD2 3.75Å; A262-F296 HydrophobicContact CB-CE2 4.19Å; L265-F296 HydrophobicContact CD1-CD2 4.42Å; L265-F296 HydrophobicContact CD1-CE2 3.75Å; F284-F296 AromaticContact CD2-CE2 3.91Å; F284-F296 HydrophobicContact CD2-CE2 3.91Å; F284-F296 AromaticContact CD2-CZ 3.62Å; F284-F296 HydrophobicContact CD2-CZ 3.62Å; F284-F296 AromaticContact CE2-CE2 3.62Å; F284-F296 HydrophobicContact CE2-CE2 3.62Å; F284-F296 AromaticContact CE2-CZ 3.86Å; F284-F296 HydrophobicContact CE2-CZ 3.86Å; F284-F296 HydrophobicContact CG-CZ 4.19Å; F284-F296 HydrophobicContact CZ-CE2 4.14Å; P291-F296 HydrophobicContact CB-CB 4.42Å; P291-F296 HydrophobicContact CB-CD1 4.4Å; P291-F296 HydrophobicContact CB-CD2 4.41Å; P291-F296 HydrophobicContact CB-CG 4.17Å; P291-F296 HydrophobicContact CG-CD1 3.95Å; P291-F296 HydrophobicContact CG-CD2 4.04Å; P291-F296 HydrophobicContact CG-CE1 3.94Å; P291-F296 HydrophobicContact CG-CE2 4.01Å; P291-F296 HydrophobicContact CG-CG 4Å; P291-F296 HydrophobicContact CG-CZ 3.95Å; E293-F296 HydrophobicContact CB-CB 4.26Å; E293-F296 HydrophobicContact CG-CB 4.21Å; E293-F296 WeakPolarHBondContact O-CB 3.39Å; E293-F296 PolarHBondContact O-N 3.25Å; E293-F296 VanDerWaalsContact O-N 3.1Å; Q294-F296 VanDerWaalsContact C-N 3.25Å; Q294-F296 PolarHBondContact O-N 3.29Å; F296-L300 HydrophobicContact CD1-CD1 4.16Å; F296-L300 HydrophobicContact CE1-CD1 3.57Å; F296-L300 HydrophobicContact CE2-CD1 4.13Å; F296-L300 HydrophobicContact CZ-CD1 3.56Å; F296-L300 HydrophobicContact CZ-CG 4.47Å; F296-L300 WeakPolarHBondContact O-CG 3.4Å; F296-L300 PolarHBondContact O-N 3.43Å; F296-L300 VanDerWaalsContact O-N 3.08Å
297M94.2Very high92.9Very high49 Ų4954.8 Ų54.824%0.24128%0.275CS..Hα-helixtrans-69.5-49.1-179.8-69.2-63.1177.300112.7L290 Q295 C299 L300 E301 L322 C327L290-M297 HydrophobicContact CD1-CE 3.63Å; Q295-M297 PolarHBondContact O-N 2.85Å; M297-C299 VanDerWaalsContact C-N 3.26Å; M297-C299 PolarHBondContact O-N 2.91Å; M297-L300 PolarHBondContact O-N 3.29Å; M297-L300 VanDerWaalsContact O-N 3.11Å; M297-E301 PolarHBondContact O-N 3.18Å; M297-L322 HydrophobicContact CE-CD2 3.8Å; M297-L322 HydrophobicContact SD-CD2 3.8Å; M297-C327 HydrophobicContact CE-CB 3.22Å; M297-C327 VanDerWaalsContact CE-SG 3.54Å; M297-C327 HydrophobicContact SD-CB 3.98Å
298P95.5Very high92.5Very high53 Ų5355.1 Ų55.134%0.34428%0.277SS..Hα-helixtrans-55.6-37.3174-27.535000114.1Q294 Q295 R302Q294-P298 WeakPolarHBondContact O-CD 3.3Å; Q295-P298 WeakPolarHBondContact O-CD 3.47Å; P298-R302 WeakPolarHBondContact O-CG 3.46Å; P298-R302 PolarHBondContact O-N 3.06Å; P298-R302 VanDerWaalsContact O-N 3.15Å; P298-R302 PolarHBondContact O-NE 3.13Å
299C95.4Very high92.1Very high1 Ų154.9 Ų54.91%0.00729%0.287CS..Hα-helixtrans-61.8-50.5173.5170.20000111.2L265 V266 Q295 M297 E301 R302 I303L265-C299 PolarHBondContact O-SG 2.84Å; L265-C299 VanDerWaalsContact O-SG 3.32Å; V266-C299 HydrophobicContact CG2-CB 4.1Å; Q295-C299 WeakPolarHBondContact O-CB 3.3Å; Q295-C299 PolarHBondContact O-N 2.64Å; M297-C299 VanDerWaalsContact C-N 3.26Å; M297-C299 PolarHBondContact O-N 2.91Å; C299-E301 VanDerWaalsContact C-N 3.34Å; C299-E301 PolarHBondContact O-N 3.03Å; C299-R302 PolarHBondContact O-N 3.37Å; C299-I303 WeakPolarHBondContact O-CG1 3.04Å; C299-I303 PolarHBondContact O-N 3.41Å; C299-I303 VanDerWaalsContact SG-CD1 3.55Å
300L95.3Very high91.7Very high2 Ų259.3 Ų59.31%0.0132%0.315CS..Hα-helixtrans-62.5-38.4179-70.3-178.4000112.9V277 V281 F296 M297 I303 L304 L322V277-L300 HydrophobicContact CG1-CD2 3.67Å; V281-L300 HydrophobicContact CG2-CD1 4.13Å; V281-L300 HydrophobicContact CG2-CD2 3.65Å; F296-L300 HydrophobicContact CD1-CD1 4.16Å; F296-L300 HydrophobicContact CE1-CD1 3.57Å; F296-L300 HydrophobicContact CE2-CD1 4.13Å; F296-L300 HydrophobicContact CZ-CD1 3.56Å; F296-L300 HydrophobicContact CZ-CG 4.47Å; F296-L300 WeakPolarHBondContact O-CG 3.4Å; F296-L300 PolarHBondContact O-N 3.43Å; F296-L300 VanDerWaalsContact O-N 3.08Å; M297-L300 PolarHBondContact O-N 3.29Å; M297-L300 VanDerWaalsContact O-N 3.11Å; L300-I303 PolarHBondContact O-N 3.5Å; L300-L304 WeakPolarHBondContact O-CB 3Å; L300-L304 VanDerWaalsContact O-CG 3.22Å; L300-L304 WeakPolarHBondContact O-CG 2.92Å; L300-L304 PolarHBondContact O-N 3.14Å; L300-L322 HydrophobicContact CD1-CD1 4.45Å; L300-L322 HydrophobicContact CD1-CD2 3.9Å
301E94.5Very high91.5Very high92 Ų9255.3 Ų55.343%0.4330%0.295SS..Hα-helixtrans-62.5-43.1175.6-72.5-167.2170.100112.3M297 C299 L304 A305 P329M297-E301 PolarHBondContact O-N 3.18Å; C299-E301 VanDerWaalsContact C-N 3.34Å; C299-E301 PolarHBondContact O-N 3.03Å; E301-L304 PolarHBondContact O-N 2.58Å; E301-A305 WeakPolarHBondContact O-CB 3.35Å; E301-A305 PolarHBondContact O-N 2.88Å; E301-P329 HydrophobicContact CG-CB 3.69Å; E301-P329 HydrophobicContact CG-CG 4.4Å; E301-P329 VanDerWaalsContact OE1-CB 3.24Å; E301-P329 WeakPolarHBondContact OE1-CB 3.47Å
302R94.8Very high91.2Very high120 Ų12055.4 Ų55.445%0.45330%0.296SS..Hα-helixtrans-65.6-43.2176.7-74.8-177.2-74.2140.1-5.3112.1E269 P298 C299 A305 R306E269-R302 WeakPolarHBondContact OE1-CB 3.29Å; E269-R302 IonicContact OE1-CZ 3.82Å; E269-R302 IonicContact OE1-NE 3.58Å; E269-R302 PolarHBondContact OE1-NE 2.95Å; E269-R302 IonicContact OE1-NH1 2.66Å; E269-R302 PolarHBondContact OE1-NH1 3.01Å; E269-R302 IonicContact OE1-NH2 3.02Å; E269-R302 IonicContact OE2-CZ 3.81Å; E269-R302 IonicContact OE2-NE 3.03Å; E269-R302 IonicContact OE2-NH1 3.19Å; E269-R302 PolarHBondContact OE2-NH1 3.36Å; E269-R302 IonicContact OE2-NH2 3.51Å; E269-R302 PolarHBondContact OE2-NH2 2.86Å; P298-R302 WeakPolarHBondContact O-CG 3.46Å; P298-R302 PolarHBondContact O-N 3.06Å; P298-R302 VanDerWaalsContact O-N 3.15Å; P298-R302 PolarHBondContact O-NE 3.13Å; C299-R302 PolarHBondContact O-N 3.37Å; R302-A305 PolarHBondContact O-N 3.22Å; R302-R306 PolarHBondContact O-N 3.44Å
303I94.3Very high91.2Very high1 Ų150.1 Ų50.11%0.00527%0.269CS..Hα-helixtrans-60.6-47.3174-68.2166.3000110.5E269 V277 C299 L300 A305 R306 E307E269-I303 HydrophobicContact CG-CD1 3.98Å; E269-I303 HydrophobicContact CG-CG1 3.78Å; V277-I303 HydrophobicContact CG1-CG2 4.46Å; V277-I303 HydrophobicContact CG2-CD1 4.07Å; V277-I303 HydrophobicContact CG2-CG2 4.15Å; C299-I303 WeakPolarHBondContact O-CG1 3.04Å; C299-I303 PolarHBondContact O-N 3.41Å; C299-I303 VanDerWaalsContact SG-CD1 3.55Å; L300-I303 PolarHBondContact O-N 3.5Å; I303-A305 PolarHBondContact O-N 3.22Å; I303-R306 PolarHBondContact O-N 3.47Å; I303-E307 HydrophobicContact CG2-CG 4.3Å; I303-E307 VanDerWaalsContact O-CB 3.28Å; I303-E307 WeakPolarHBondContact O-CB 3.25Å; I303-E307 WeakPolarHBondContact O-CG 3.33Å; I303-E307 PolarHBondContact O-N 3.25Å
304L93.9Very high91.4Very high5 Ų547.9 Ų47.93%0.02626%0.259CS..Hα-helixtrans-62.4-42.7178.3-74168.1000111L300 E301 R306 E307 A308 T315 I318 L319 L322 P329 A332L300-L304 WeakPolarHBondContact O-CB 3Å; L300-L304 VanDerWaalsContact O-CG 3.22Å; L300-L304 WeakPolarHBondContact O-CG 2.92Å; L300-L304 PolarHBondContact O-N 3.14Å; E301-L304 PolarHBondContact O-N 2.58Å; L304-R306 VanDerWaalsContact C-N 3.27Å; L304-R306 PolarHBondContact O-N 2.95Å; L304-E307 PolarHBondContact O-N 3.09Å; L304-A308 WeakPolarHBondContact O-CA 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.47Å; L304-A308 PolarHBondContact O-N 2.63Å; L304-T315 HydrophobicContact CD2-CG2 3.76Å; L304-I318 HydrophobicContact CD1-CG2 4.16Å; L304-I318 HydrophobicContact CD2-CB 4.26Å; L304-I318 HydrophobicContact CD2-CD1 4.09Å; L304-I318 HydrophobicContact CD2-CG2 4.15Å; L304-I318 HydrophobicContact CG-CG2 4.42Å; L304-L319 HydrophobicContact CD1-CD2 4.21Å; L304-L322 HydrophobicContact CD1-CD1 4.47Å; L304-P329 HydrophobicContact CD1-CG 4.16Å; L304-A332 HydrophobicContact CB-CB 4.47Å; L304-A332 HydrophobicContact CD1-CB 4.06Å
305A92.2Very high91.5Very high87 Ų8740.4 Ų40.472%0.71922%0.224SC*.Hα-helixtrans-59.9-37.7176.800000112.6E301 R302 I303E301-A305 WeakPolarHBondContact O-CB 3.35Å; E301-A305 PolarHBondContact O-N 2.88Å; R302-A305 PolarHBondContact O-N 3.22Å; I303-A305 PolarHBondContact O-N 3.22Å
306R90.9Very high91.4Very high103 Ų10335.9 Ų35.939%0.38920%0.203SC..Hα-helixtrans-75.7-44.1178.2-176.4177.270.9-1335.5113.1E269 L272 R302 I303 L304E269-R306 PolarHBondContact O-NH2 2.96Å; L272-R306 PolarHBondContact O-NH2 3.02Å; L272-R306 VanDerWaalsContact O-NH2 3.12Å; R302-R306 PolarHBondContact O-N 3.44Å; I303-R306 PolarHBondContact O-N 3.47Å; L304-R306 VanDerWaalsContact C-N 3.27Å; L304-R306 PolarHBondContact O-N 2.95Å
307E89.8Confident91.3Very high34 Ų3435.9 Ų35.916%0.15920%0.203CC..Hα-helixtrans-107.3-9.9-162.8-65.7-78133.800114.4S274 I303 L304 G309 V310 A311S274-E307 PolarHBondContact N-OE2 3Å; I303-E307 HydrophobicContact CG2-CG 4.3Å; I303-E307 VanDerWaalsContact O-CB 3.28Å; I303-E307 WeakPolarHBondContact O-CB 3.25Å; I303-E307 WeakPolarHBondContact O-CG 3.33Å; I303-E307 PolarHBondContact O-N 3.25Å; L304-E307 PolarHBondContact O-N 3.09Å; E307-G309 VanDerWaalsContact C-N 3.25Å; E307-G309 PolarHBondContact O-N 2.98Å; E307-G309 VanDerWaalsContact O-N 3.13Å; E307-V310 PolarHBondContact O-N 3.07Å; E307-A311 PolarHBondContact O-N 3.29Å
308A84.8Confident91.3Very high6 Ų633.6 Ų33.65%0.0519%0.191CC..THydrogen-bonded Turntrans-59.9-34.1-165.600000114.1L304 T315 F335L304-A308 WeakPolarHBondContact O-CA 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.47Å; L304-A308 PolarHBondContact O-N 2.63Å; A308-T315 VanDerWaalsContact CA-OG1 3.29Å; A308-T315 WeakPolarHBondContact CA-OG1 3.26Å; A308-T315 HydrophobicContact CB-CG2 3.57Å; A308-T315 PolarHBondContact O-OG1 3.28Å; A308-F335 HydrophobicContact CB-CD1 3.57Å; A308-F335 HydrophobicContact CB-CE1 3.43Å; A308-F335 VanDerWaalsContact CB-CE1 3.43Å; A308-F335 HydrophobicContact CB-CG 4.41Å; A308-F335 HydrophobicContact CB-CZ 4.18Å
309G82.2Confident91.3Very high44 Ų4431.1 Ų31.145%0.45418%0.175SC..THydrogen-bonded Turntrans-77.3-24.6176.900000114.4E307E307-G309 VanDerWaalsContact C-N 3.25Å; E307-G309 PolarHBondContact O-N 2.98Å; E307-G309 VanDerWaalsContact O-N 3.13Å
310V87.3Confident91.2Very high106 Ų10631.1 Ų31.164%0.64218%0.175SC*.THydrogen-bonded Turntrans-77.5-36.7-175.7-176.50000111.4E307E307-V310 PolarHBondContact O-N 3.07Å
311A87.2Confident91.1Very high11 Ų1131.1 Ų31.19%0.09118%0.175CC..  trans-138.576-176.700000112.7S274 K275 E307 L313 A314 T315S274-A311 WeakPolarHBondContact OG-CB 3.48Å; K275-A311 HydrophobicContact CG-CB 4.12Å; E307-A311 PolarHBondContact O-N 3.29Å; A311-L313 VanDerWaalsContact C-N 3.33Å; A311-L313 PolarHBondContact O-N 2.77Å; A311-L313 VanDerWaalsContact O-N 3.17Å; A311-A314 HydrophobicContact CB-CB 4Å; A311-A314 WeakPolarHBondContact O-CA 3.18Å; A311-A314 WeakPolarHBondContact O-CB 3.29Å; A311-A314 PolarHBondContact O-N 2.75Å; A311-T315 PolarHBondContact O-N 2.81Å; A311-T315 PolarHBondContact O-OG1 3.5Å
312P87.3Confident91.1Very high16 Ų1626.8 Ų26.810%0.10416%0.155CC..Hα-helixtrans-54.2-42.4-172.2-22.325.4000114.7A314 T315 V316 F341 Y344 I345P312-A314 VanDerWaalsContact C-N 3.3Å; P312-A314 PolarHBondContact O-N 2.77Å; P312-T315 WeakPolarHBondContact O-CB 3.39Å; P312-T315 PolarHBondContact O-N 2.91Å; P312-V316 WeakPolarHBondContact O-CG2 3.11Å; P312-V316 PolarHBondContact O-N 3.33Å; P312-F341 HydrophobicContact CB-CE2 3.68Å; P312-F341 HydrophobicContact CB-CZ 3.81Å; P312-F341 HydrophobicContact CG-CE2 4.32Å; P312-Y344 HydrophobicContact CG-CD1 3.8Å; P312-Y344 HydrophobicContact CG-CE1 3.36Å; P312-I345 HydrophobicContact CB-CD1 3.88Å; P312-I345 HydrophobicContact CB-CG1 3.87Å; P312-I345 HydrophobicContact CG-CG1 4.48Å
313L88.6Confident91.1Very high18 Ų1821 Ų219%0.09413%0.133CC..Hα-helixtrans-63.7-38.4179.2178.863000111.4A311 N317 I353 V354 Y357A311-L313 VanDerWaalsContact C-N 3.33Å; A311-L313 PolarHBondContact O-N 2.77Å; A311-L313 VanDerWaalsContact O-N 3.17Å; L313-N317 WeakPolarHBondContact O-CB 3.24Å; L313-N317 PolarHBondContact O-N 3.07Å; L313-N317 PolarHBondContact O-ND2 2.87Å; L313-N317 VanDerWaalsContact O-ND2 3.16Å; L313-I353 HydrophobicContact CD1-CG2 4.3Å; L313-V354 HydrophobicContact CD1-CG2 3.87Å; L313-Y357 HydrophobicContact CD1-CE2 4.45Å
314A91.5Very high91Very high2 Ų221.3 Ų21.32%0.01714%0.135CC..Hα-helixtrans-67.3-45.2177.800000111S274 Q278 A311 P312 V316 N317 I318S274-A314 WeakPolarHBondContact O-CB 3.21Å; Q278-A314 HydrophobicContact CB-CB 4.25Å; Q278-A314 HydrophobicContact CG-CB 4.16Å; Q278-A314 VanDerWaalsContact NE2-CB 3.28Å; A311-A314 HydrophobicContact CB-CB 4Å; A311-A314 WeakPolarHBondContact O-CA 3.18Å; A311-A314 WeakPolarHBondContact O-CB 3.29Å; A311-A314 PolarHBondContact O-N 2.75Å; P312-A314 VanDerWaalsContact C-N 3.3Å; P312-A314 PolarHBondContact O-N 2.77Å; A314-V316 VanDerWaalsContact C-N 3.33Å; A314-V316 PolarHBondContact O-N 3.24Å; A314-N317 PolarHBondContact O-N 2.73Å; A314-I318 WeakPolarHBondContact O-CG1 3.44Å; A314-I318 PolarHBondContact O-N 3.43Å
315T93.1Very high90.9Very high1 Ų121.8 Ų21.81%0.00614%0.137CC..Hα-helixtrans-51.2-51.8173.7-48.50000111.1L304 A308 A311 P312 N317 I318 L319 V336L304-T315 HydrophobicContact CD2-CG2 3.76Å; A308-T315 VanDerWaalsContact CA-OG1 3.29Å; A308-T315 WeakPolarHBondContact CA-OG1 3.26Å; A308-T315 HydrophobicContact CB-CG2 3.57Å; A308-T315 PolarHBondContact O-OG1 3.28Å; A311-T315 PolarHBondContact O-N 2.81Å; A311-T315 PolarHBondContact O-OG1 3.5Å; P312-T315 WeakPolarHBondContact O-CB 3.39Å; P312-T315 PolarHBondContact O-N 2.91Å; T315-N317 PolarHBondContact O-N 3.16Å; T315-I318 PolarHBondContact O-N 3.42Å; T315-L319 WeakPolarHBondContact O-CG 3.35Å; T315-L319 PolarHBondContact O-N 2.84Å; T315-V336 HydrophobicContact CG2-CG1 4Å
316V92.4Very high90.9Very high0 Ų025.5 Ų25.50%013%0.132CC..Hα-helixtrans-70.5-34.9-178-175.20000111.3P312 A314 I318 L319 M320 V336 F341 V354 Y357 L361P312-V316 WeakPolarHBondContact O-CG2 3.11Å; P312-V316 PolarHBondContact O-N 3.33Å; A314-V316 VanDerWaalsContact C-N 3.33Å; A314-V316 PolarHBondContact O-N 3.24Å; V316-I318 VanDerWaalsContact C-N 3.35Å; V316-I318 PolarHBondContact O-N 3.48Å; V316-L319 PolarHBondContact O-N 2.83Å; V316-M320 HydrophobicContact CG1-CG 4.34Å; V316-M320 WeakPolarHBondContact O-CB 3.45Å; V316-M320 VanDerWaalsContact O-CG 3.25Å; V316-M320 WeakPolarHBondContact O-CG 3.47Å; V316-M320 PolarHBondContact O-N 2.99Å; V316-V336 HydrophobicContact CG2-CG1 4.44Å; V316-F341 HydrophobicContact CG2-CE1 3.99Å; V316-F341 HydrophobicContact CG2-CZ 3.81Å; V316-V354 HydrophobicContact CG1-CG1 4.49Å; V316-V354 HydrophobicContact CG2-CG1 3.97Å; V316-Y357 HydrophobicContact CB-CD2 4.18Å; V316-Y357 HydrophobicContact CG1-CD2 3.39Å; V316-Y357 HydrophobicContact CG1-CE2 4.41Å; V316-Y357 HydrophobicContact CG1-CG 3.81Å; V316-L361 HydrophobicContact CG1-CD1 4.1Å
317N92.2Very high91Very high3 Ų322.2 Ų22.22%0.01613%0.125CC..Hα-helixtrans-64-37.2173.2-77.8-40.8000112.5M35 Q278 L313 A314 T315 M320 S321 Y357M35-N317 WeakPolarHBondContact CE-O 3.48Å; M35-N317 PolarHBondContact N-OD1 3.16Å; Q278-N317 HydrophobicContact CB-CB 4.16Å; Q278-N317 PolarHBondContact OE1-ND2 3.43Å; L313-N317 WeakPolarHBondContact O-CB 3.24Å; L313-N317 PolarHBondContact O-N 3.07Å; L313-N317 PolarHBondContact O-ND2 2.87Å; L313-N317 VanDerWaalsContact O-ND2 3.16Å; A314-N317 PolarHBondContact O-N 2.73Å; T315-N317 PolarHBondContact O-N 3.16Å; N317-M320 PolarHBondContact O-N 3.29Å; N317-S321 PolarHBondContact O-N 3.26Å; N317-S321 PolarHBondContact O-OG 3.14Å; N317-S321 VanDerWaalsContact O-OG 3.06Å; N317-Y357 WeakPolarHBondContact OD1-CE2 3.36Å; N317-Y357 PolarHBondContact OD1-OH 2.84Å
318I94.8Very high91.1Very high1 Ų121.2 Ų21.21%0.00512%0.12CC..Hα-helixtrans-62.6-51.7173.1-66.1162000109.2V277 Q278 L304 A314 T315 V316 M320 S321 L322V277-I318 HydrophobicContact CB-CD1 4.17Å; V277-I318 HydrophobicContact CG1-CD1 3.79Å; V277-I318 HydrophobicContact CG1-CG1 4.31Å; Q278-I318 HydrophobicContact CB-CD1 4.38Å; Q278-I318 HydrophobicContact CB-CG1 3.84Å; L304-I318 HydrophobicContact CD1-CG2 4.16Å; L304-I318 HydrophobicContact CD2-CB 4.26Å; L304-I318 HydrophobicContact CD2-CD1 4.09Å; L304-I318 HydrophobicContact CD2-CG2 4.15Å; L304-I318 HydrophobicContact CG-CG2 4.42Å; A314-I318 WeakPolarHBondContact O-CG1 3.44Å; A314-I318 PolarHBondContact O-N 3.43Å; T315-I318 PolarHBondContact O-N 3.42Å; V316-I318 VanDerWaalsContact C-N 3.35Å; V316-I318 PolarHBondContact O-N 3.48Å; I318-M320 VanDerWaalsContact C-N 3.26Å; I318-M320 PolarHBondContact O-N 2.86Å; I318-S321 WeakPolarHBondContact O-CA 3.44Å; I318-S321 WeakPolarHBondContact O-CB 3.46Å; I318-S321 PolarHBondContact O-N 3.11Å; I318-L322 HydrophobicContact CG2-CD1 4.04Å; I318-L322 HydrophobicContact CG2-CG 4.38Å; I318-L322 WeakPolarHBondContact O-CG 3.08Å; I318-L322 PolarHBondContact O-N 3.04Å
319L95.3Very high91.5Very high0 Ų021.4 Ų21.40%012%0.121CC..Hα-helixtrans-58.9-36.3178.1-70.6177.6000113.1L304 T315 V316 S321 L322 C323 P329 A332 V336 L361L304-L319 HydrophobicContact CD1-CD2 4.21Å; T315-L319 WeakPolarHBondContact O-CG 3.35Å; T315-L319 PolarHBondContact O-N 2.84Å; V316-L319 PolarHBondContact O-N 2.83Å; L319-S321 VanDerWaalsContact C-N 3.28Å; L319-S321 PolarHBondContact O-N 3.43Å; L319-L322 HydrophobicContact CD2-CD1 4.48Å; L319-L322 PolarHBondContact O-N 3.32Å; L319-C323 VanDerWaalsContact O-CB 3.25Å; L319-C323 WeakPolarHBondContact O-CB 3.25Å; L319-C323 PolarHBondContact O-N 3.47Å; L319-P329 HydrophobicContact CD2-CG 4Å; L319-A332 HydrophobicContact CD1-CB 4.4Å; L319-A332 HydrophobicContact CD2-CB 3.82Å; L319-V336 HydrophobicContact CD1-CB 4.28Å; L319-V336 HydrophobicContact CD1-CG1 3.6Å; L319-V336 HydrophobicContact CD1-CG2 3.74Å; L319-L361 HydrophobicContact CB-CD1 4.04Å; L319-L361 HydrophobicContact CB-CD2 4.19Å; L319-L361 HydrophobicContact CD1-CD1 4.3Å
320M92.3Very high92Very high2 Ų224.4 Ų24.41%0.0112%0.122CC..Hα-helixtrans-65.4-32.4174.9-76.8-51-44.600112.7M35 V316 N317 I318 Q324 Y357 L360 L361M35-M320 HydrophobicContact CE-CB 3.37Å; M35-M320 HydrophobicContact SD-CB 3.61Å; V316-M320 HydrophobicContact CG1-CG 4.34Å; V316-M320 WeakPolarHBondContact O-CB 3.45Å; V316-M320 VanDerWaalsContact O-CG 3.25Å; V316-M320 WeakPolarHBondContact O-CG 3.47Å; V316-M320 PolarHBondContact O-N 2.99Å; N317-M320 PolarHBondContact O-N 3.29Å; I318-M320 VanDerWaalsContact C-N 3.26Å; I318-M320 PolarHBondContact O-N 2.86Å; M320-Q324 WeakPolarHBondContact O-CG 3.31Å; M320-Q324 PolarHBondContact O-N 2.99Å; M320-Y357 HydrophobicContact CE-CD1 4.46Å; M320-Y357 HydrophobicContact CG-CD1 3.6Å; M320-Y357 HydrophobicContact CG-CD2 3.97Å; M320-Y357 HydrophobicContact CG-CE1 3.91Å; M320-Y357 HydrophobicContact CG-CE2 4.27Å; M320-Y357 HydrophobicContact CG-CG 3.6Å; M320-Y357 HydrophobicContact SD-CD1 3.87Å; M320-Y357 HydrophobicContact SD-CG 4Å; M320-L360 HydrophobicContact CE-CB 4.42Å; M320-L360 HydrophobicContact CE-CD2 3.29Å; M320-L360 HydrophobicContact CE-CG 3.83Å; M320-L360 HydrophobicContact SD-CD2 4.37Å; M320-L360 HydrophobicContact SD-CG 4.49Å; M320-L361 HydrophobicContact SD-CD1 4.35Å; M320-L361 HydrophobicContact SD-CD2 4.01Å; M320-L361 HydrophobicContact SD-CG 3.81Å
321S93.4Very high92.2Very high1 Ų129.8 Ų29.81%0.00713%0.131CC..Hα-helixtrans-73.3-42.6177.9-57.10000109.2M35 G285 N317 I318 L319 Q324 L325M35-S321 WeakPolarHBondContact CE-OG 3.31Å; G285-S321 WeakPolarHBondContact CA-O 3.25Å; N317-S321 PolarHBondContact O-N 3.26Å; N317-S321 PolarHBondContact O-OG 3.14Å; N317-S321 VanDerWaalsContact O-OG 3.06Å; I318-S321 WeakPolarHBondContact O-CA 3.44Å; I318-S321 WeakPolarHBondContact O-CB 3.46Å; I318-S321 PolarHBondContact O-N 3.11Å; L319-S321 VanDerWaalsContact C-N 3.28Å; L319-S321 PolarHBondContact O-N 3.43Å; S321-Q324 WeakPolarHBondContact O-CB 3.26Å; S321-Q324 PolarHBondContact O-N 3.29Å; S321-L325 PolarHBondContact O-N 2.77Å
322L95.2Very high92.5Very high1 Ų129.7 Ų29.71%0.00513%0.13CC..Hα-helixtrans-64.5-36.7174.7-69-176.4000113M297 L300 L304 I318 L319 Q324 L325 R326 C327 P329M297-L322 HydrophobicContact CE-CD2 3.8Å; M297-L322 HydrophobicContact SD-CD2 3.8Å; L300-L322 HydrophobicContact CD1-CD1 4.45Å; L300-L322 HydrophobicContact CD1-CD2 3.9Å; L304-L322 HydrophobicContact CD1-CD1 4.47Å; I318-L322 HydrophobicContact CG2-CD1 4.04Å; I318-L322 HydrophobicContact CG2-CG 4.38Å; I318-L322 WeakPolarHBondContact O-CG 3.08Å; I318-L322 PolarHBondContact O-N 3.04Å; L319-L322 HydrophobicContact CD2-CD1 4.48Å; L319-L322 PolarHBondContact O-N 3.32Å; L322-Q324 VanDerWaalsContact C-N 3.32Å; L322-Q324 PolarHBondContact O-N 3.07Å; L322-L325 CarbonylContact O-C 3.5Å; L322-L325 WeakPolarHBondContact O-CA 3.11Å; L322-L325 PolarHBondContact O-N 2.93Å; L322-L325 VanDerWaalsContact O-N 3.11Å; L322-R326 PolarHBondContact O-N 3.34Å; L322-C327 WeakPolarHBondContact CB-O 3.43Å; L322-C327 PolarHBondContact O-N 3.11Å; L322-P329 HydrophobicContact CD1-CG 4.21Å
323C94.3Very high92.8Very high0 Ų028.9 Ų28.90%013%0.125CC..Hα-helixtrans-59.1-43172.7-179.70000111.5L319 L325 R326 L328 L361 A364 R503L319-C323 VanDerWaalsContact O-CB 3.25Å; L319-C323 WeakPolarHBondContact O-CB 3.25Å; L319-C323 PolarHBondContact O-N 3.47Å; C323-L325 PolarHBondContact O-N 3.05Å; C323-R326 PolarHBondContact O-N 3.27Å; C323-R326 VanDerWaalsContact O-N 3.14Å; C323-L328 HydrophobicContact CB-CD2 3.87Å; C323-L328 HydrophobicContact CB-CG 4.44Å; C323-L361 HydrophobicContact CB-CD2 3.89Å; C323-A364 VanDerWaalsContact SG-CB 3.51Å; C323-R503 PolarHBondContact O-NH2 3.45Å; C323-R503 VanDerWaalsContact O-NH2 3.07Å
324Q92.3Very high93.1Very high7 Ų733.1 Ų33.13%0.03314%0.144CC..Hα-helixtrans-61.6-36176.1-69.9171.912.600111.7M35 G285 M320 S321 L322 L500M35-Q324 PolarHBondContact SD-NE2 2.99Å; G285-Q324 PolarHBondContact O-OE1 3.45Å; M320-Q324 WeakPolarHBondContact O-CG 3.31Å; M320-Q324 PolarHBondContact O-N 2.99Å; S321-Q324 WeakPolarHBondContact O-CB 3.26Å; S321-Q324 PolarHBondContact O-N 3.29Å; L322-Q324 VanDerWaalsContact C-N 3.32Å; L322-Q324 PolarHBondContact O-N 3.07Å; Q324-L500 HydrophobicContact CG-CB 4.48Å; Q324-L500 HydrophobicContact CG-CD2 4.14Å
325L92.2Very high93.3Very high15 Ų1536.5 Ų36.58%0.07916%0.158CC..Hα-helixtrans-80.8-5.4177.4-62.8175.5000114.9F284 Y289 S321 L322 C323 C327F284-L325 HydrophobicContact CB-CD1 3.91Å; F284-L325 WeakPolarHBondContact O-CD2 3.48Å; Y289-L325 WeakPolarHBondContact O-CD2 3.48Å; S321-L325 PolarHBondContact O-N 2.77Å; L322-L325 CarbonylContact O-C 3.5Å; L322-L325 WeakPolarHBondContact O-CA 3.11Å; L322-L325 PolarHBondContact O-N 2.93Å; L322-L325 VanDerWaalsContact O-N 3.11Å; C323-L325 PolarHBondContact O-N 3.05Å; L325-C327 VanDerWaalsContact C-N 3.32Å; L325-C327 HydrophobicContact CB-CB 4.49Å; L325-C327 PolarHBondContact O-SG 3.2Å; L325-C327 VanDerWaalsContact O-SG 3.37Å
326R92.5Very high93.3Very high164 Ų16436.5 Ų36.562%0.61916%0.158SC*.THydrogen-bonded Turntrans64.928.9-172.4-48.6177.5-167.3-161.53.5114.3L322 C323L322-R326 PolarHBondContact O-N 3.34Å; C323-R326 PolarHBondContact O-N 3.27Å; C323-R326 VanDerWaalsContact O-N 3.14Å
327C91.9Very high93.4Very high34 Ų3436.6 Ų36.623%0.2316%0.159CC..  trans-12166.7-175-58.60000111.3M297 L322 L325 P329M297-C327 HydrophobicContact CE-CB 3.22Å; M297-C327 VanDerWaalsContact CE-SG 3.54Å; M297-C327 HydrophobicContact SD-CB 3.98Å; L322-C327 WeakPolarHBondContact CB-O 3.43Å; L322-C327 PolarHBondContact O-N 3.11Å; L325-C327 VanDerWaalsContact C-N 3.32Å; L325-C327 HydrophobicContact CB-CB 4.49Å; L325-C327 PolarHBondContact O-SG 3.2Å; L325-C327 VanDerWaalsContact O-SG 3.37Å; C327-P329 VanDerWaalsContact O-CD 3.31Å; C327-P329 WeakPolarHBondContact O-CD 3.25Å
328L92.5Very high93.5Very high13 Ų1337.7 Ų37.77%0.06817%0.166CC..  trans-92.2114.2-174.3-74.2174.6000112.5C323 F330 L333 L361 A364 L369C323-L328 HydrophobicContact CB-CD2 3.87Å; C323-L328 HydrophobicContact CB-CG 4.44Å; L328-F330 PolarHBondContact O-N 3.49Å; L328-L333 HydrophobicContact CB-CD1 3.98Å; L328-L333 HydrophobicContact CB-CG 4.48Å; L328-L333 HydrophobicContact CD2-CD2 4.33Å; L328-L361 HydrophobicContact CD2-CD2 3.87Å; L328-A364 HydrophobicContact CD1-CB 3.98Å; L328-L369 HydrophobicContact CB-CD1 3.95Å; L328-L369 HydrophobicContact CD1-CD1 4.11Å
329P92.9Very high93.4Very high10 Ų1042 Ų427%0.06519%0.194CC..  trans-76.8124.9-178.826.9-31000112.3E301 L304 L319 L322 C327 R331 A332 L333E301-P329 HydrophobicContact CG-CB 3.69Å; E301-P329 HydrophobicContact CG-CG 4.4Å; E301-P329 VanDerWaalsContact OE1-CB 3.24Å; E301-P329 WeakPolarHBondContact OE1-CB 3.47Å; L304-P329 HydrophobicContact CD1-CG 4.16Å; L319-P329 HydrophobicContact CD2-CG 4Å; L322-P329 HydrophobicContact CD1-CG 4.21Å; C327-P329 VanDerWaalsContact O-CD 3.31Å; C327-P329 WeakPolarHBondContact O-CD 3.25Å; P329-R331 PolarHBondContact O-N 3.4Å; P329-A332 HydrophobicContact CB-CB 4.44Å; P329-A332 HydrophobicContact CG-CB 3.87Å; P329-A332 PolarHBondContact O-N 3.49Å; P329-L333 PolarHBondContact O-N 3.5Å
330F92.7Very high93.2Very high107 Ų10744.4 Ų44.447%0.46922%0.219SC..Hα-helixtrans-57.8-42.2-173-78.2-110.9000113.4L328 A332 L333 H334 Y372L328-F330 PolarHBondContact O-N 3.49Å; F330-A332 PolarHBondContact O-N 3.43Å; F330-L333 PolarHBondContact O-N 3.32Å; F330-H334 WeakPolarHBondContact O-CB 3.33Å; F330-H334 PolarHBondContact O-N 3.45Å; F330-Y372 AromaticContact CD1-CD2 3.63Å; F330-Y372 HydrophobicContact CD1-CD2 3.63Å; F330-Y372 HydrophobicContact CD1-CE2 4.4Å; F330-Y372 AromaticContact CE1-CD2 3.99Å; F330-Y372 HydrophobicContact CE1-CD2 3.99Å; F330-Y372 HydrophobicContact CG-CD2 4.4Å
331R92.2Very high93.2Very high219 Ų21944.7 Ų44.783%0.82622%0.221SC*.Hα-helixtrans-64.1-41.3-179.5-66.8-175.7-178.8-170.11.2111.9P329 H334 F335P329-R331 PolarHBondContact O-N 3.4Å; R331-H334 PolarHBondContact O-N 3.05Å; R331-F335 PolarHBondContact O-N 3.31Å
332A93.1Very high93.1Very high9 Ų945 Ų457%0.07422%0.222CC..Hα-helixtrans-70-38.617800000111.5L304 L319 P329 F330 F335 V336L304-A332 HydrophobicContact CB-CB 4.47Å; L304-A332 HydrophobicContact CD1-CB 4.06Å; L319-A332 HydrophobicContact CD1-CB 4.4Å; L319-A332 HydrophobicContact CD2-CB 3.82Å; P329-A332 HydrophobicContact CB-CB 4.44Å; P329-A332 HydrophobicContact CG-CB 3.87Å; P329-A332 PolarHBondContact O-N 3.49Å; F330-A332 PolarHBondContact O-N 3.43Å; A332-F335 PolarHBondContact O-N 2.99Å; A332-V336 WeakPolarHBondContact O-CG2 3.27Å; A332-V336 PolarHBondContact O-N 2.76Å
333L94.6Very high92.9Very high0 Ų050.1 Ų50.10%025%0.249CC..Hα-helixtrans-58.6-47171.9-70.8176.9000111.5L328 P329 F330 F335 V336 F337 V365 L369 Y372L328-L333 HydrophobicContact CB-CD1 3.98Å; L328-L333 HydrophobicContact CB-CG 4.48Å; L328-L333 HydrophobicContact CD2-CD2 4.33Å; P329-L333 PolarHBondContact O-N 3.5Å; F330-L333 PolarHBondContact O-N 3.32Å; L333-F335 VanDerWaalsContact C-N 3.27Å; L333-F335 PolarHBondContact O-N 3.29Å; L333-V336 PolarHBondContact O-N 3.36Å; L333-F337 HydrophobicContact CB-CD2 4.42Å; L333-F337 HydrophobicContact CD2-CE2 3.99Å; L333-F337 WeakPolarHBondContact O-CB 3.21Å; L333-F337 VanDerWaalsContact O-CD2 3.27Å; L333-F337 WeakPolarHBondContact O-CD2 3.41Å; L333-F337 PolarHBondContact O-N 3.06Å; L333-V365 HydrophobicContact CD1-CG2 3.7Å; L333-V365 HydrophobicContact CD2-CG2 4.03Å; L333-V365 HydrophobicContact CG-CG2 4.45Å; L333-L369 HydrophobicContact CD1-CD1 3.65Å; L333-Y372 HydrophobicContact CB-CE2 3.65Å; L333-Y372 HydrophobicContact CD1-CD2 4.12Å; L333-Y372 HydrophobicContact CD1-CE2 4.04Å
334H94.5Very high92.7Very high107 Ų10756.5 Ų56.550%0.49528%0.275SS..Hα-helixtrans-57.9-41.5176.9-172.9-69.5000111.7F330 R331 S338 Y372 P375F330-H334 WeakPolarHBondContact O-CB 3.33Å; F330-H334 PolarHBondContact O-N 3.45Å; R331-H334 PolarHBondContact O-N 3.05Å; H334-S338 PolarHBondContact O-N 2.94Å; H334-Y372 WeakPolarHBondContact CA-OH 3.36Å; H334-Y372 PolarHBondContact N-OH 3.48Å; H334-P375 WeakPolarHBondContact CD2-CD 3.44Å; H334-P375 WeakPolarHBondContact O-CG 3.4Å
335F94.1Very high92.4Very high73 Ų7356.3 Ų56.332%0.3227%0.274SS..Hα-helixtrans-65.3-51.2176.4179.6-100.1000112.4A308 R331 A332 L333 F337 S338 F341A308-F335 HydrophobicContact CB-CD1 3.57Å; A308-F335 HydrophobicContact CB-CE1 3.43Å; A308-F335 VanDerWaalsContact CB-CE1 3.43Å; A308-F335 HydrophobicContact CB-CG 4.41Å; A308-F335 HydrophobicContact CB-CZ 4.18Å; R331-F335 PolarHBondContact O-N 3.31Å; A332-F335 PolarHBondContact O-N 2.99Å; L333-F335 VanDerWaalsContact C-N 3.27Å; L333-F335 PolarHBondContact O-N 3.29Å; F335-F337 VanDerWaalsContact C-N 3.3Å; F335-F337 PolarHBondContact O-N 3.38Å; F335-S338 VanDerWaalsContact O-CB 3.23Å; F335-S338 WeakPolarHBondContact O-CB 3.25Å; F335-S338 PolarHBondContact O-N 3.32Å; F335-S338 PolarHBondContact O-OG 2.92Å; F335-F341 AromaticContact CD1-CD2 3.97Å; F335-F341 HydrophobicContact CD1-CD2 3.97Å; F335-F341 HydrophobicContact CD1-CE2 4.23Å; F335-F341 AromaticContact CE1-CD2 3.31Å; F335-F341 HydrophobicContact CE1-CD2 3.31Å; F335-F341 AromaticContact CE1-CE2 3.58Å; F335-F341 HydrophobicContact CE1-CE2 3.58Å; F335-F341 HydrophobicContact CE1-CG 4.24Å; F335-F341 AromaticContact CZ-CD2 3.83Å; F335-F341 HydrophobicContact CZ-CD2 3.83Å; F335-F341 HydrophobicContact CZ-CE2 4.42Å; F335-F341 WeakPolarHBondContact O-CB 3.31Å
336V94.4Very high92.1Very high0 Ų058.7 Ų58.70%029%0.292CS..Hα-helixtrans-73-20.3-175.3-58.70000114T315 V316 L319 A332 L333 F341 L358T315-V336 HydrophobicContact CG2-CG1 4Å; V316-V336 HydrophobicContact CG2-CG1 4.44Å; L319-V336 HydrophobicContact CD1-CB 4.28Å; L319-V336 HydrophobicContact CD1-CG1 3.6Å; L319-V336 HydrophobicContact CD1-CG2 3.74Å; A332-V336 WeakPolarHBondContact O-CG2 3.27Å; A332-V336 PolarHBondContact O-N 2.76Å; L333-V336 PolarHBondContact O-N 3.36Å; V336-F341 VanDerWaalsContact CA-CD1 3.44Å; V336-F341 HydrophobicContact CB-CD1 3.9Å; V336-F341 HydrophobicContact CB-CE1 3.59Å; V336-F341 HydrophobicContact CB-CZ 4.14Å; V336-F341 HydrophobicContact CG1-CD1 4.33Å; V336-F341 HydrophobicContact CG1-CE1 3.74Å; V336-F341 HydrophobicContact CG1-CE2 4.31Å; V336-F341 HydrophobicContact CG1-CZ 3.74Å; V336-F341 WeakPolarHBondContact O-CD1 3.37Å; V336-L358 HydrophobicContact CB-CD2 4.07Å; V336-L358 HydrophobicContact CG2-CD2 4.12Å
337F95.1Very high91.7Very high2 Ų254.4 Ų54.41%0.00930%0.298CS..THydrogen-bonded Turntrans-93.40.6170.5-67.4-52.7000113.6L333 F335 I342 L358 L361 D362 V365 P375 L377L333-F337 HydrophobicContact CB-CD2 4.42Å; L333-F337 HydrophobicContact CD2-CE2 3.99Å; L333-F337 WeakPolarHBondContact O-CB 3.21Å; L333-F337 VanDerWaalsContact O-CD2 3.27Å; L333-F337 WeakPolarHBondContact O-CD2 3.41Å; L333-F337 PolarHBondContact O-N 3.06Å; F335-F337 VanDerWaalsContact C-N 3.3Å; F335-F337 PolarHBondContact O-N 3.38Å; F337-I342 WeakPolarHBondContact O-CD1 3.44Å; F337-L358 HydrophobicContact CD1-CD2 4.43Å; F337-L358 HydrophobicContact CE1-CB 4.32Å; F337-L358 HydrophobicContact CE1-CD2 4.16Å; F337-L361 HydrophobicContact CZ-CB 3.78Å; F337-D362 HydrophobicContact CE1-CB 4.01Å; F337-D362 HydrophobicContact CZ-CB 3.95Å; F337-V365 HydrophobicContact CE2-CG2 4Å; F337-P375 HydrophobicContact CB-CB 4.09Å; F337-P375 HydrophobicContact CB-CG 4Å; F337-P375 WeakPolarHBondContact CB-O 3.46Å; F337-P375 WeakPolarHBondContact CD2-O 3.46Å; F337-L377 HydrophobicContact CD1-CB 4.16Å; F337-L377 HydrophobicContact CE1-CB 4.05Å
338S93.9Very high91.4Very high26 Ų2654.3 Ų54.318%0.18230%0.297CS..SBendtrans-63.1142.9174.971.90000110.8H334 F335 G340 F341 I342H334-S338 PolarHBondContact O-N 2.94Å; F335-S338 VanDerWaalsContact O-CB 3.23Å; F335-S338 WeakPolarHBondContact O-CB 3.25Å; F335-S338 PolarHBondContact O-N 3.32Å; F335-S338 PolarHBondContact O-OG 2.92Å; S338-G340 PolarHBondContact O-N 3.26Å; S338-F341 PolarHBondContact O-N 3.09Å; S338-F341 WeakPolarHBondContact OG-CB 3.29Å; S338-F341 PolarHBondContact OG-N 2.78Å; S338-I342 WeakPolarHBondContact O-CG1 3.43Å; S338-I342 PolarHBondContact O-N 2.89Å; S338-I342 VanDerWaalsContact O-N 3.12Å
339P92Very high90.9Very high91 Ų9158.6 Ų58.659%0.59133%0.326SS*.Hα-helixtrans-54.7-36175.1-26.934.8000112.8I342 N343P339-I342 PolarHBondContact O-N 3.1Å; P339-N343 VanDerWaalsContact O-CB 3.27Å; P339-N343 WeakPolarHBondContact O-CB 3.49Å; P339-N343 PolarHBondContact O-N 3.2Å; P339-N343 PolarHBondContact O-ND2 3.44Å
340G91.6Very high90.4Very high51 Ų5161.3 Ų61.353%0.52634%0.337SS..Hα-helixtrans-61-49.6177.600000112.8S338 N343 Y344S338-G340 PolarHBondContact O-N 3.26Å; G340-N343 PolarHBondContact O-N 3.05Å; G340-Y344 VanDerWaalsContact O-CB 3.32Å; G340-Y344 WeakPolarHBondContact O-CB 3.32Å; G340-Y344 PolarHBondContact O-N 2.77Å
341F92.6Very high90Very high8 Ų857.1 Ų57.14%0.03532%0.323CS..Hα-helixtrans-64.2-43178.8-176.5-97.8000112.3P312 V316 F335 V336 S338 Y344 I345 L358P312-F341 HydrophobicContact CB-CE2 3.68Å; P312-F341 HydrophobicContact CB-CZ 3.81Å; P312-F341 HydrophobicContact CG-CE2 4.32Å; V316-F341 HydrophobicContact CG2-CE1 3.99Å; V316-F341 HydrophobicContact CG2-CZ 3.81Å; F335-F341 AromaticContact CD1-CD2 3.97Å; F335-F341 HydrophobicContact CD1-CD2 3.97Å; F335-F341 HydrophobicContact CD1-CE2 4.23Å; F335-F341 AromaticContact CE1-CD2 3.31Å; F335-F341 HydrophobicContact CE1-CD2 3.31Å; F335-F341 AromaticContact CE1-CE2 3.58Å; F335-F341 HydrophobicContact CE1-CE2 3.58Å; F335-F341 HydrophobicContact CE1-CG 4.24Å; F335-F341 AromaticContact CZ-CD2 3.83Å; F335-F341 HydrophobicContact CZ-CD2 3.83Å; F335-F341 HydrophobicContact CZ-CE2 4.42Å; F335-F341 WeakPolarHBondContact O-CB 3.31Å; V336-F341 VanDerWaalsContact CA-CD1 3.44Å; V336-F341 HydrophobicContact CB-CD1 3.9Å; V336-F341 HydrophobicContact CB-CE1 3.59Å; V336-F341 HydrophobicContact CB-CZ 4.14Å; V336-F341 HydrophobicContact CG1-CD1 4.33Å; V336-F341 HydrophobicContact CG1-CE1 3.74Å; V336-F341 HydrophobicContact CG1-CE2 4.31Å; V336-F341 HydrophobicContact CG1-CZ 3.74Å; V336-F341 WeakPolarHBondContact O-CD1 3.37Å; S338-F341 PolarHBondContact O-N 3.09Å; S338-F341 WeakPolarHBondContact OG-CB 3.29Å; S338-F341 PolarHBondContact OG-N 2.78Å; F341-Y344 PolarHBondContact O-N 2.92Å; F341-I345 HydrophobicContact CD1-CD1 3.38Å; F341-I345 HydrophobicContact CD2-CD1 4.23Å; F341-I345 HydrophobicContact CE1-CD1 2.96Å; F341-I345 HydrophobicContact CE1-CG1 4.4Å; F341-I345 HydrophobicContact CE2-CD1 3.86Å; F341-I345 HydrophobicContact CG-CD1 4.04Å; F341-I345 HydrophobicContact CZ-CD1 3.23Å; F341-I345 HydrophobicContact CZ-CG1 4.48Å; F341-I345 PolarHBondContact O-N 3.37Å; F341-L358 HydrophobicContact CE1-CD2 4.45Å
342I91.3Very high89.5Confident8 Ų851.6 Ų51.64%0.04131%0.309CS..Hα-helixtrans-62.8-46.6178.9-72.8174.4000111.5F337 S338 P339 Y344 I345 S346 L358 L377F337-I342 WeakPolarHBondContact O-CD1 3.44Å; S338-I342 WeakPolarHBondContact O-CG1 3.43Å; S338-I342 PolarHBondContact O-N 2.89Å; S338-I342 VanDerWaalsContact O-N 3.12Å; P339-I342 PolarHBondContact O-N 3.1Å; I342-Y344 VanDerWaalsContact C-N 3.34Å; I342-I345 PolarHBondContact O-N 3.07Å; I342-S346 PolarHBondContact O-N 2.89Å; I342-S346 VanDerWaalsContact O-N 3.11Å; I342-S346 PolarHBondContact O-OG 3.01Å; I342-L358 HydrophobicContact CG1-CD1 4.38Å; I342-L377 HydrophobicContact CD1-CD1 3.98Å
343N90.2Very high88.9Confident108 Ų10852.3 Ų52.358%0.57831%0.311SS*.Hα-helixtrans-64.2-42.4178.1-72.5-13.5000110.6P339 G340 I345 S346P339-N343 VanDerWaalsContact O-CB 3.27Å; P339-N343 WeakPolarHBondContact O-CB 3.49Å; P339-N343 PolarHBondContact O-N 3.2Å; P339-N343 PolarHBondContact O-ND2 3.44Å; G340-N343 PolarHBondContact O-N 3.05Å; N343-I345 PolarHBondContact O-N 3.08Å; N343-S346 PolarHBondContact O-N 3.13Å
344Y89.3Confident88.4Confident134 Ų13452.4 Ų52.453%0.52531%0.312SS..Hα-helixtrans-57.3-49.7176.1178.5-115.7000112.2P312 G340 F341 I342 S346 G347P312-Y344 HydrophobicContact CG-CD1 3.8Å; P312-Y344 HydrophobicContact CG-CE1 3.36Å; G340-Y344 VanDerWaalsContact O-CB 3.32Å; G340-Y344 WeakPolarHBondContact O-CB 3.32Å; G340-Y344 PolarHBondContact O-N 2.77Å; F341-Y344 PolarHBondContact O-N 2.92Å; I342-Y344 VanDerWaalsContact C-N 3.34Å; Y344-S346 VanDerWaalsContact C-N 3.3Å; Y344-S346 PolarHBondContact O-N 2.9Å; Y344-G347 PolarHBondContact O-N 3.13Å
345I86.6Confident88.1Confident3 Ų351.1 Ų51.12%0.01530%0.302CS..Hα-helixtrans-66.3-31.1-179.7-81154000113.2P312 F341 I342 N343 G347 T348 A351 V354P312-I345 HydrophobicContact CB-CD1 3.88Å; P312-I345 HydrophobicContact CB-CG1 3.87Å; P312-I345 HydrophobicContact CG-CG1 4.48Å; F341-I345 HydrophobicContact CD1-CD1 3.38Å; F341-I345 HydrophobicContact CD2-CD1 4.23Å; F341-I345 HydrophobicContact CE1-CD1 2.96Å; F341-I345 HydrophobicContact CE1-CG1 4.4Å; F341-I345 HydrophobicContact CE2-CD1 3.86Å; F341-I345 HydrophobicContact CG-CD1 4.04Å; F341-I345 HydrophobicContact CZ-CD1 3.23Å; F341-I345 HydrophobicContact CZ-CG1 4.48Å; F341-I345 PolarHBondContact O-N 3.37Å; I342-I345 PolarHBondContact O-N 3.07Å; N343-I345 PolarHBondContact O-N 3.08Å; I345-G347 PolarHBondContact O-N 2.78Å; I345-G347 VanDerWaalsContact O-N 3.15Å; I345-T348 WeakPolarHBondContact O-CB 3.39Å; I345-T348 PolarHBondContact O-N 3.42Å; I345-T348 PolarHBondContact O-OG1 2.83Å; I345-A351 WeakPolarHBondContact O-CB 3.27Å; I345-V354 HydrophobicContact CD1-CG1 3.61Å; I345-V354 HydrophobicContact CG1-CG1 4.3Å; I345-V354 HydrophobicContact CG2-CB 3.7Å; I345-V354 HydrophobicContact CG2-CG1 3.73Å; I345-V354 HydrophobicContact CG2-CG2 4.3Å
346S85.3Confident87.7Confident65 Ų6550.3 Ų50.346%0.45530%0.297SS..Hα-helixtrans-59.5-26.5-178.1-62.90000112.5I342 N343 Y344I342-S346 PolarHBondContact O-N 2.89Å; I342-S346 VanDerWaalsContact O-N 3.11Å; I342-S346 PolarHBondContact O-OG 3.01Å; N343-S346 PolarHBondContact O-N 3.13Å; Y344-S346 VanDerWaalsContact C-N 3.3Å; Y344-S346 PolarHBondContact O-N 2.9Å
347G84.1Confident87.4Confident74 Ų7450.6 Ų50.676%0.76330%0.298SS*.THydrogen-bonded Turntrans-90.42.4174.100000115.6Y344 I345Y344-G347 PolarHBondContact O-N 3.13Å; I345-G347 PolarHBondContact O-N 2.78Å; I345-G347 VanDerWaalsContact O-N 3.15Å
348T85.5Confident87.3Confident33 Ų3350.7 Ų50.720%0.20230%0.299CS..SBendtrans-95.4154.7-176.869.70000112.2I345 H350 A351I345-T348 WeakPolarHBondContact O-CB 3.39Å; I345-T348 PolarHBondContact O-N 3.42Å; I345-T348 PolarHBondContact O-OG1 2.83Å; T348-H350 PolarHBondContact O-N 3.17Å; T348-H350 PolarHBondContact OG1-N 3.26Å; T348-A351 WeakPolarHBondContact O-CB 3.31Å; T348-A351 PolarHBondContact O-N 3.35Å; T348-A351 VanDerWaalsContact O-N 3.07Å; T348-A351 PolarHBondContact OG1-N 3.18Å
349P83.2Confident87.1Confident103 Ų10349.6 Ų49.667%0.66929%0.291SS*.THydrogen-bonded Turntrans-62.3-8.8172.626.5-36.5000113.5
350H80.9Confident87Confident67 Ų6745.6 Ų45.631%0.3127%0.265SS..THydrogen-bonded Turntrans-100.42.2180-55.7-40000113.4T348 L352 I353 V354T348-H350 PolarHBondContact O-N 3.17Å; T348-H350 PolarHBondContact OG1-N 3.26Å; H350-L352 VanDerWaalsContact C-N 3.32Å; H350-L352 PolarHBondContact O-N 3.07Å; H350-I353 PolarHBondContact O-N 2.92Å; H350-I353 VanDerWaalsContact O-N 3.14Å; H350-V354 HydrophobicContact CB-CG2 4.14Å; H350-V354 WeakPolarHBondContact O-CG2 3.36Å; H350-V354 PolarHBondContact O-N 3.37Å
351A84.7Confident87.1Confident19 Ų1943.2 Ų43.216%0.15724%0.24CC..Hα-helixtrans-48.6-48.2-173.200000113.3I345 T348 I353 V354 R355I345-A351 WeakPolarHBondContact O-CB 3.27Å; T348-A351 WeakPolarHBondContact O-CB 3.31Å; T348-A351 PolarHBondContact O-N 3.35Å; T348-A351 VanDerWaalsContact O-N 3.07Å; T348-A351 PolarHBondContact OG1-N 3.18Å; A351-I353 PolarHBondContact O-N 3.39Å; A351-V354 PolarHBondContact O-N 3.23Å; A351-R355 VanDerWaalsContact O-CB 3.3Å; A351-R355 WeakPolarHBondContact O-CB 3.38Å; A351-R355 VanDerWaalsContact O-CG 3.23Å; A351-R355 WeakPolarHBondContact O-CG 3.31Å; A351-R355 PolarHBondContact O-N 2.85Å
352L81.5Confident87.1Confident102 Ų10243 Ų4353%0.53424%0.239SC..Hα-helixtrans-64.3-44.6-177-174.866.4000113H350 R356H350-L352 VanDerWaalsContact C-N 3.32Å; H350-L352 PolarHBondContact O-N 3.07Å; L352-R356 WeakPolarHBondContact O-CG 3.49Å; L352-R356 PolarHBondContact O-N 3.48Å
353I80.4Confident87.1Confident25 Ų2542.9 Ų42.913%0.12824%0.239CC..Hα-helixtrans-65.5-47.2180-68.8158.3000109.4P30 L36 L313 H350 A351 R356 Y357P30-I353 HydrophobicContact CB-CD1 3.61Å; P30-I353 HydrophobicContact CG-CD1 3.87Å; L36-I353 HydrophobicContact CB-CG2 4.16Å; L36-I353 HydrophobicContact CD1-CB 4.08Å; L36-I353 HydrophobicContact CD1-CG1 4.38Å; L36-I353 HydrophobicContact CD1-CG2 3.55Å; L36-I353 HydrophobicContact CG-CG2 4.43Å; L313-I353 HydrophobicContact CD1-CG2 4.3Å; H350-I353 PolarHBondContact O-N 2.92Å; H350-I353 VanDerWaalsContact O-N 3.14Å; A351-I353 PolarHBondContact O-N 3.39Å; I353-R356 WeakPolarHBondContact O-CB 3.39Å; I353-R356 PolarHBondContact O-N 3.15Å; I353-Y357 HydrophobicContact CG2-CD2 4.4Å; I353-Y357 HydrophobicContact CG2-CE2 3.99Å; I353-Y357 PolarHBondContact O-N 3.22Å; I353-Y357 VanDerWaalsContact O-N 3.11Å
354V85.4Confident87.2Confident1 Ų137.7 Ų37.71%0.00621%0.211CC..Hα-helixtrans-67.6-38.9-178.81790000110.9L313 V316 I345 H350 A351 R356 Y357 L358L313-V354 HydrophobicContact CD1-CG2 3.87Å; V316-V354 HydrophobicContact CG1-CG1 4.49Å; V316-V354 HydrophobicContact CG2-CG1 3.97Å; I345-V354 HydrophobicContact CD1-CG1 3.61Å; I345-V354 HydrophobicContact CG1-CG1 4.3Å; I345-V354 HydrophobicContact CG2-CB 3.7Å; I345-V354 HydrophobicContact CG2-CG1 3.73Å; I345-V354 HydrophobicContact CG2-CG2 4.3Å; H350-V354 HydrophobicContact CB-CG2 4.14Å; H350-V354 WeakPolarHBondContact O-CG2 3.36Å; H350-V354 PolarHBondContact O-N 3.37Å; A351-V354 PolarHBondContact O-N 3.23Å; V354-R356 VanDerWaalsContact C-N 3.29Å; V354-R356 PolarHBondContact O-N 3.21Å; V354-Y357 CarbonylContact O-C 3.56Å; V354-Y357 WeakPolarHBondContact O-CB 3.39Å; V354-Y357 PolarHBondContact O-N 2.92Å; V354-Y357 VanDerWaalsContact O-N 3.12Å; V354-L358 HydrophobicContact CG1-CD1 4Å; V354-L358 HydrophobicContact CG1-CG 4.02Å; V354-L358 WeakPolarHBondContact O-CG 3.36Å; V354-L358 PolarHBondContact O-N 3.46Å
355R87.3Confident87.4Confident81 Ų8131.4 Ų31.431%0.30619%0.187SC..Hα-helixtrans-57.7-39.7173.2-80.6-179.663.5-171.12.7113A351 L358 S359 Q381 V383A351-R355 VanDerWaalsContact O-CB 3.3Å; A351-R355 WeakPolarHBondContact O-CB 3.38Å; A351-R355 VanDerWaalsContact O-CG 3.23Å; A351-R355 WeakPolarHBondContact O-CG 3.31Å; A351-R355 PolarHBondContact O-N 2.85Å; R355-L358 PolarHBondContact O-N 2.98Å; R355-S359 WeakPolarHBondContact O-CB 3.36Å; R355-S359 PolarHBondContact O-N 3.27Å; R355-S359 PolarHBondContact O-OG 3.11Å; R355-Q381 PolarHBondContact NE-O 3.2Å; R355-Q381 VanDerWaalsContact NE-O 3.13Å; R355-Q381 PolarHBondContact NH2-O 2.6Å; R355-V383 HydrophobicContact CB-CG2 4.26Å
356R85.7Confident87.6Confident56 Ų5632.9 Ų32.921%0.21119%0.194CC..Hα-helixtrans-64.3-43.9174.5-73.2179.4-178.6170.33.6111.7L36 L352 I353 V354 S359 L360 V383L36-R356 HydrophobicContact CD1-CB 4.03Å; L352-R356 WeakPolarHBondContact O-CG 3.49Å; L352-R356 PolarHBondContact O-N 3.48Å; I353-R356 WeakPolarHBondContact O-CB 3.39Å; I353-R356 PolarHBondContact O-N 3.15Å; V354-R356 VanDerWaalsContact C-N 3.29Å; V354-R356 PolarHBondContact O-N 3.21Å; R356-S359 PolarHBondContact O-N 2.71Å; R356-L360 PolarHBondContact O-N 3.14Å; R356-V383 HydrophobicContact CB-CG2 4.28Å; R356-V383 HydrophobicContact CG-CG2 3.64Å
357Y88.5Confident87.8Confident5 Ų530.7 Ų30.72%0.0218%0.177CC..Hα-helixtrans-63.4-45.5174.5-69.1-25000112.9M35 L36 L313 V316 N317 M320 I353 V354 S359 L360 L361M35-Y357 VanDerWaalsContact CA-OH 3.24Å; M35-Y357 WeakPolarHBondContact CA-OH 3.46Å; M35-Y357 HydrophobicContact CB-CE1 4.35Å; M35-Y357 WeakPolarHBondContact CB-OH 3.09Å; M35-Y357 PolarHBondContact N-OH 3.21Å; L36-Y357 HydrophobicContact CB-CE1 4.06Å; L36-Y357 HydrophobicContact CD1-CD1 3.89Å; L36-Y357 HydrophobicContact CD1-CE1 3.63Å; L36-Y357 HydrophobicContact CG-CD1 4.09Å; L36-Y357 HydrophobicContact CG-CE1 3.4Å; L36-Y357 VanDerWaalsContact CG-CE1 3.4Å; L36-Y357 PolarHBondContact N-OH 3.39Å; L313-Y357 HydrophobicContact CD1-CE2 4.45Å; V316-Y357 HydrophobicContact CB-CD2 4.18Å; V316-Y357 HydrophobicContact CG1-CD2 3.39Å; V316-Y357 HydrophobicContact CG1-CE2 4.41Å; V316-Y357 HydrophobicContact CG1-CG 3.81Å; N317-Y357 WeakPolarHBondContact OD1-CE2 3.36Å; N317-Y357 PolarHBondContact OD1-OH 2.84Å; M320-Y357 HydrophobicContact CE-CD1 4.46Å; M320-Y357 HydrophobicContact CG-CD1 3.6Å; M320-Y357 HydrophobicContact CG-CD2 3.97Å; M320-Y357 HydrophobicContact CG-CE1 3.91Å; M320-Y357 HydrophobicContact CG-CE2 4.27Å; M320-Y357 HydrophobicContact CG-CG 3.6Å; M320-Y357 HydrophobicContact SD-CD1 3.87Å; M320-Y357 HydrophobicContact SD-CG 4Å; I353-Y357 HydrophobicContact CG2-CD2 4.4Å; I353-Y357 HydrophobicContact CG2-CE2 3.99Å; I353-Y357 PolarHBondContact O-N 3.22Å; I353-Y357 VanDerWaalsContact O-N 3.11Å; V354-Y357 CarbonylContact O-C 3.56Å; V354-Y357 WeakPolarHBondContact O-CB 3.39Å; V354-Y357 PolarHBondContact O-N 2.92Å; V354-Y357 VanDerWaalsContact O-N 3.12Å; Y357-S359 PolarHBondContact O-N 2.73Å; Y357-L360 CarbonylContact O-C 3.48Å; Y357-L360 PolarHBondContact O-N 3.21Å; Y357-L360 VanDerWaalsContact O-N 3.11Å; Y357-L361 WeakPolarHBondContact O-CB 3.2Å; Y357-L361 WeakPolarHBondContact O-CG 3.37Å; Y357-L361 PolarHBondContact O-N 2.87Å
358L92.9Very high88.1Confident4 Ų428.9 Ų28.92%0.02115%0.148CC..Hα-helixtrans-60.8-37176.7-68.6177.4000110.9V336 F337 F341 I342 V354 R355 L361 D362 L377V336-L358 HydrophobicContact CB-CD2 4.07Å; V336-L358 HydrophobicContact CG2-CD2 4.12Å; F337-L358 HydrophobicContact CD1-CD2 4.43Å; F337-L358 HydrophobicContact CE1-CB 4.32Å; F337-L358 HydrophobicContact CE1-CD2 4.16Å; F341-L358 HydrophobicContact CE1-CD2 4.45Å; I342-L358 HydrophobicContact CG1-CD1 4.38Å; V354-L358 HydrophobicContact CG1-CD1 4Å; V354-L358 HydrophobicContact CG1-CG 4.02Å; V354-L358 WeakPolarHBondContact O-CG 3.36Å; V354-L358 PolarHBondContact O-N 3.46Å; R355-L358 PolarHBondContact O-N 2.98Å; L358-L361 HydrophobicContact CD2-CD1 4.44Å; L358-L361 PolarHBondContact O-N 3.36Å; L358-D362 WeakPolarHBondContact O-CB 3.22Å; L358-D362 PolarHBondContact O-N 3.28Å; L358-L377 HydrophobicContact CB-CD1 4.18Å; L358-L377 HydrophobicContact CB-CD2 4.08Å; L358-L377 HydrophobicContact CD1-CD1 4.4Å
359S90.5Very high88.4Confident4 Ų428.9 Ų28.93%0.02815%0.147CC..Hα-helixtrans-65.6-38.6175.1-56.80000112R355 R356 Y357 T363 V383R355-S359 WeakPolarHBondContact O-CB 3.36Å; R355-S359 PolarHBondContact O-N 3.27Å; R355-S359 PolarHBondContact O-OG 3.11Å; R356-S359 PolarHBondContact O-N 2.71Å; Y357-S359 PolarHBondContact O-N 2.73Å; S359-T363 WeakPolarHBondContact O-CB 3.43Å; S359-T363 PolarHBondContact O-N 3.39Å; S359-T363 PolarHBondContact O-OG1 3.36Å; S359-V383 WeakPolarHBondContact CB-O 3.42Å; S359-V383 PolarHBondContact OG-N 3.49Å
360L89.8Confident88.5Confident7 Ų730.1 Ų30.14%0.03716%0.155CC..Hα-helixtrans-72.1-38.7175.5179.552.3000112.7M320 R356 Y357 T363 A364 I385 F386 Y428 L500M320-L360 HydrophobicContact CE-CB 4.42Å; M320-L360 HydrophobicContact CE-CD2 3.29Å; M320-L360 HydrophobicContact CE-CG 3.83Å; M320-L360 HydrophobicContact SD-CD2 4.37Å; M320-L360 HydrophobicContact SD-CG 4.49Å; R356-L360 PolarHBondContact O-N 3.14Å; Y357-L360 CarbonylContact O-C 3.48Å; Y357-L360 PolarHBondContact O-N 3.21Å; Y357-L360 VanDerWaalsContact O-N 3.11Å; L360-T363 WeakPolarHBondContact O-CB 3.43Å; L360-T363 PolarHBondContact O-N 2.98Å; L360-A364 WeakPolarHBondContact O-CB 3.29Å; L360-A364 PolarHBondContact O-N 3.2Å; L360-I385 HydrophobicContact CB-CD1 3.91Å; L360-I385 HydrophobicContact CB-CG1 4.11Å; L360-I385 HydrophobicContact CB-CG2 3.77Å; L360-I385 HydrophobicContact CD1-CD1 3.89Å; L360-I385 HydrophobicContact CD1-CG2 4.32Å; L360-I385 HydrophobicContact CD2-CG2 3.91Å; L360-I385 HydrophobicContact CG-CD1 4.46Å; L360-I385 HydrophobicContact CG-CG2 4.21Å; L360-F386 HydrophobicContact CD2-CZ 4.12Å; L360-Y428 WeakPolarHBondContact CD1-OH 3.39Å; L360-L500 HydrophobicContact CD1-CD2 4.2Å; L360-L500 HydrophobicContact CD2-CD2 4.09Å; L360-L500 HydrophobicContact CG-CD2 4.44Å
361L93.5Very high88.7Confident0 Ų029.5 Ų29.50%017%0.167CC..Hα-helixtrans-64.2-42.8172.2-71171.3000110.4V316 L319 M320 C323 L328 F337 Y357 L358 T363 A364 V365V316-L361 HydrophobicContact CG1-CD1 4.1Å; L319-L361 HydrophobicContact CB-CD1 4.04Å; L319-L361 HydrophobicContact CB-CD2 4.19Å; L319-L361 HydrophobicContact CD1-CD1 4.3Å; M320-L361 HydrophobicContact SD-CD1 4.35Å; M320-L361 HydrophobicContact SD-CD2 4.01Å; M320-L361 HydrophobicContact SD-CG 3.81Å; C323-L361 HydrophobicContact CB-CD2 3.89Å; L328-L361 HydrophobicContact CD2-CD2 3.87Å; F337-L361 HydrophobicContact CZ-CB 3.78Å; Y357-L361 WeakPolarHBondContact O-CB 3.2Å; Y357-L361 WeakPolarHBondContact O-CG 3.37Å; Y357-L361 PolarHBondContact O-N 2.87Å; L358-L361 HydrophobicContact CD2-CD1 4.44Å; L358-L361 PolarHBondContact O-N 3.36Å; L361-T363 VanDerWaalsContact C-N 3.25Å; L361-T363 PolarHBondContact O-N 2.8Å; L361-A364 PolarHBondContact O-N 2.77Å; L361-A364 VanDerWaalsContact O-N 3.09Å; L361-V365 WeakPolarHBondContact O-CG2 3.34Å; L361-V365 PolarHBondContact O-N 3.39Å
362D93.3Very high89Confident4 Ų429.8 Ų29.82%0.02116%0.164CC..Hα-helixtrans-63-36.8178.6-172.765.1000110.9F337 L358 E366 R376 L377 Q382F337-D362 HydrophobicContact CE1-CB 4.01Å; F337-D362 HydrophobicContact CZ-CB 3.95Å; L358-D362 WeakPolarHBondContact O-CB 3.22Å; L358-D362 PolarHBondContact O-N 3.28Å; D362-E366 PolarHBondContact O-N 3.41Å; D362-E366 VanDerWaalsContact O-N 3.13Å; D362-R376 PolarHBondContact O-NH2 3.11Å; D362-R376 IonicContact OD1-CZ 3.03Å; D362-R376 IonicContact OD1-NE 3.8Å; D362-R376 PolarHBondContact OD1-NE 3.48Å; D362-R376 IonicContact OD1-NH2 3.62Å; D362-R376 PolarHBondContact OD1-NH2 3.44Å; D362-R376 IonicContact OD2-NH2 3.35Å; D362-L377 HydrophobicContact CB-CB 3.85Å; D362-L377 PolarHBondContact OD1-N 3Å; D362-Q382 PolarHBondContact OD2-NE2 3.19Å
363T90.4Very high89.4Confident5 Ų536.6 Ų36.63%0.03118%0.183CC..Hα-helixtrans-63.2-48.9170-640000111.5S359 L360 L361 V365 E366 L367 P426 Y454S359-T363 WeakPolarHBondContact O-CB 3.43Å; S359-T363 PolarHBondContact O-N 3.39Å; S359-T363 PolarHBondContact O-OG1 3.36Å; L360-T363 WeakPolarHBondContact O-CB 3.43Å; L360-T363 PolarHBondContact O-N 2.98Å; L361-T363 VanDerWaalsContact C-N 3.25Å; L361-T363 PolarHBondContact O-N 2.8Å; T363-V365 VanDerWaalsContact C-N 3.31Å; T363-V365 PolarHBondContact O-N 2.78Å; T363-E366 WeakPolarHBondContact O-CB 3.5Å; T363-E366 PolarHBondContact O-N 3.22Å; T363-L367 HydrophobicContact CG2-CD1 3.65Å; T363-L367 HydrophobicContact CG2-CG 4.33Å; T363-L367 WeakPolarHBondContact O-CG 3.48Å; T363-L367 PolarHBondContact O-N 3.06Å; T363-P426 HydrophobicContact CG2-CG 3.41Å; T363-P426 VanDerWaalsContact CG2-CG 3.41Å; T363-P426 VanDerWaalsContact OG1-CG 3.22Å; T363-P426 WeakPolarHBondContact OG1-CG 3.3Å; T363-Y454 WeakPolarHBondContact CG2-OH 3.5Å; T363-Y454 PolarHBondContact OG1-OH 2.97Å
364A92.5Very high89.9Confident0 Ų036.4 Ų36.40%019%0.187CC..Hα-helixtrans-62.8-38.7179.800000111.8C323 L328 L360 L361 L367 E368C323-A364 VanDerWaalsContact SG-CB 3.51Å; L328-A364 HydrophobicContact CD1-CB 3.98Å; L360-A364 WeakPolarHBondContact O-CB 3.29Å; L360-A364 PolarHBondContact O-N 3.2Å; L361-A364 PolarHBondContact O-N 2.77Å; L361-A364 VanDerWaalsContact O-N 3.09Å; A364-L367 PolarHBondContact O-N 3.11Å; A364-E368 WeakPolarHBondContact O-CA 3.23Å; A364-E368 WeakPolarHBondContact O-CB 3.32Å; A364-E368 WeakPolarHBondContact O-CG 3.45Å; A364-E368 PolarHBondContact O-N 3.17Å
365V93.6Very high90.3Very high2 Ų238.1 Ų38.11%0.01220%0.198CC..Hα-helixtrans-60.8-45.7173.7171.70000111L333 F337 L361 T363 L369 Y372L333-V365 HydrophobicContact CD1-CG2 3.7Å; L333-V365 HydrophobicContact CD2-CG2 4.03Å; L333-V365 HydrophobicContact CG-CG2 4.45Å; F337-V365 HydrophobicContact CE2-CG2 4Å; L361-V365 WeakPolarHBondContact O-CG2 3.34Å; L361-V365 PolarHBondContact O-N 3.39Å; T363-V365 VanDerWaalsContact C-N 3.31Å; T363-V365 PolarHBondContact O-N 2.78Å; V365-L369 HydrophobicContact CG2-CD1 4.22Å; V365-L369 CarbonylContact O-C 3.39Å; V365-L369 WeakPolarHBondContact O-CB 3.09Å; V365-L369 PolarHBondContact O-N 3.24Å; V365-L369 VanDerWaalsContact O-N 3.12Å; V365-Y372 HydrophobicContact CG1-CD1 3.32Å; V365-Y372 HydrophobicContact CG1-CE1 3.97Å; V365-Y372 HydrophobicContact CG1-CG 3.67Å
366E90.1Very high90.6Very high33 Ų3336.9 Ų36.915%0.15419%0.193CC..Hα-helixtrans-61.2-45.1177.9-165.567.8-146.700112.3D362 T363 R376 P455 R457D362-E366 PolarHBondContact O-N 3.41Å; D362-E366 VanDerWaalsContact O-N 3.13Å; T363-E366 WeakPolarHBondContact O-CB 3.5Å; T363-E366 PolarHBondContact O-N 3.22Å; E366-R376 IonicContact OE2-CZ 3.27Å; E366-R376 IonicContact OE2-NH1 2.92Å; E366-R376 PolarHBondContact OE2-NH1 2.77Å; E366-R376 IonicContact OE2-NH2 2.71Å; E366-R376 PolarHBondContact OE2-NH2 2.91Å; E366-P455 HydrophobicContact CG-CG 4.44Å; E366-R457 WeakPolarHBondContact OE1-CA 3.37Å
367L90.1Very high90.9Very high19 Ų1934.2 Ų34.210%0.09918%0.183CC..Hα-helixtrans-84.6-35.9-171.3-64.5177.2000113T363 A364 P455 H504 L507 M508T363-L367 HydrophobicContact CG2-CD1 3.65Å; T363-L367 HydrophobicContact CG2-CG 4.33Å; T363-L367 WeakPolarHBondContact O-CG 3.48Å; T363-L367 PolarHBondContact O-N 3.06Å; A364-L367 PolarHBondContact O-N 3.11Å; L367-P455 HydrophobicContact CD2-CG 3.56Å; L367-H504 HydrophobicContact CD1-CB 3.73Å; L367-L507 HydrophobicContact CB-CB 4.23Å; L367-L507 HydrophobicContact CB-CD1 4.01Å; L367-L507 HydrophobicContact CD2-CB 4.35Å; L367-M508 HydrophobicContact CD1-CG 4.04Å; L367-M508 HydrophobicContact CD1-SD 4.5Å; L367-M508 HydrophobicContact CD2-CG 3.75Å
368E91.1Very high90.9Very high36 Ų3636.8 Ų36.817%0.16820%0.201CC..Hα-helixtrans-109-19.1-168.6-53.7-174.6168.500113.7A364 P370 R503 H504 L507A364-E368 WeakPolarHBondContact O-CA 3.23Å; A364-E368 WeakPolarHBondContact O-CB 3.32Å; A364-E368 WeakPolarHBondContact O-CG 3.45Å; A364-E368 PolarHBondContact O-N 3.17Å; E368-P370 WeakPolarHBondContact O-CD 3.45Å; E368-R503 IonicContact OE1-CZ 2.9Å; E368-R503 IonicContact OE1-NE 3.87Å; E368-R503 PolarHBondContact OE1-NE 2.96Å; E368-R503 IonicContact OE1-NH2 2.73Å; E368-R503 PolarHBondContact OE1-NH2 3.31Å; E368-R503 IonicContact OE2-NH2 2.71Å; E368-H504 IonicContact OE1-CD2 3.7Å; E368-H504 PolarHBondContact OE1-CD2 3.46Å; E368-H504 VanDerWaalsContact OE1-CD2 3.27Å; E368-H504 IonicContact OE1-NE2 2.76Å; E368-H504 PolarHBondContact OE1-NE2 3.5Å; E368-L507 HydrophobicContact CG-CD1 3.87Å
369L91.5Very high90.5Very high34 Ų3445.4 Ų45.418%0.17823%0.233CC..  trans-125.570.6-172-59.4178.7000112.7L328 L333 V365 G371 Y372L328-L369 HydrophobicContact CB-CD1 3.95Å; L328-L369 HydrophobicContact CD1-CD1 4.11Å; L333-L369 HydrophobicContact CD1-CD1 3.65Å; V365-L369 HydrophobicContact CG2-CD1 4.22Å; V365-L369 CarbonylContact O-C 3.39Å; V365-L369 WeakPolarHBondContact O-CB 3.09Å; V365-L369 PolarHBondContact O-N 3.24Å; V365-L369 VanDerWaalsContact O-N 3.12Å; L369-G371 PolarHBondContact O-N 3.12Å; L369-Y372 PolarHBondContact O-N 2.78Å; L369-Y372 VanDerWaalsContact O-N 3.08Å
370P84.8Confident90.3Very high129 Ų12956.8 Ų56.884%0.83828%0.275SS*.THydrogen-bonded Turntrans-60.3-19.7-177.324-34.4000114.5E368E368-P370 WeakPolarHBondContact O-CD 3.45Å
371G85.4Confident90Very high54 Ų5458.5 Ų58.556%0.55728%0.283SS*.THydrogen-bonded Turntrans-91-0.6178.900000115.7L369 R373L369-G371 PolarHBondContact O-N 3.12Å; G371-R373 PolarHBondContact O-N 3.11Å
372Y91.2Very high89.5Confident24 Ų2462.1 Ų62.19%0.09430%0.3CS..  trans-74.6116.1-176.5179.9-93.4000112.1F330 L333 H334 V365 L369 G374 P375F330-Y372 AromaticContact CD1-CD2 3.63Å; F330-Y372 HydrophobicContact CD1-CD2 3.63Å; F330-Y372 HydrophobicContact CD1-CE2 4.4Å; F330-Y372 AromaticContact CE1-CD2 3.99Å; F330-Y372 HydrophobicContact CE1-CD2 3.99Å; F330-Y372 HydrophobicContact CG-CD2 4.4Å; L333-Y372 HydrophobicContact CB-CE2 3.65Å; L333-Y372 HydrophobicContact CD1-CD2 4.12Å; L333-Y372 HydrophobicContact CD1-CE2 4.04Å; H334-Y372 WeakPolarHBondContact CA-OH 3.36Å; H334-Y372 PolarHBondContact N-OH 3.48Å; V365-Y372 HydrophobicContact CG1-CD1 3.32Å; V365-Y372 HydrophobicContact CG1-CE1 3.97Å; V365-Y372 HydrophobicContact CG1-CG 3.67Å; L369-Y372 PolarHBondContact O-N 2.78Å; L369-Y372 VanDerWaalsContact O-N 3.08Å; Y372-G374 VanDerWaalsContact CE1-C 3.43Å; Y372-G374 WeakPolarHBondContact CE1-O 3.33Å; Y372-G374 VanDerWaalsContact CZ-CA 3.45Å; Y372-P375 VanDerWaalsContact CE1-O 3.29Å; Y372-P375 WeakPolarHBondContact CE1-O 3.35Å; Y372-P375 PolarHBondContact OH-O 3.35Å
373R90Very high89Confident245 Ų24563.2 Ų63.293%0.92531%0.307SS*.  trans-106.17.3179.6-60.4-173.5-178.6-162.90.2114.3G371G371-R373 PolarHBondContact O-N 3.11Å
374G90.7Very high88.2Confident21 Ų2166.9 Ų66.922%0.21633%0.331CS..SBendtrans-78.5-178.5-178.900000113.4Y372Y372-G374 VanDerWaalsContact CE1-C 3.43Å; Y372-G374 WeakPolarHBondContact CE1-O 3.33Å; Y372-G374 VanDerWaalsContact CZ-CA 3.45Å
375P93.4Very high87.3Confident37 Ų3767.1 Ų67.124%0.2433%0.332CS..  trans-61.4150.4176.726.9-34000111.4H334 F337 Y372H334-P375 WeakPolarHBondContact CD2-CD 3.44Å; H334-P375 WeakPolarHBondContact O-CG 3.4Å; F337-P375 HydrophobicContact CB-CB 4.09Å; F337-P375 HydrophobicContact CB-CG 4Å; F337-P375 WeakPolarHBondContact CB-O 3.46Å; F337-P375 WeakPolarHBondContact CD2-O 3.46Å; Y372-P375 VanDerWaalsContact CE1-O 3.29Å; Y372-P375 WeakPolarHBondContact CE1-O 3.35Å; Y372-P375 PolarHBondContact OH-O 3.35Å
376R92.9Very high86.1Confident55 Ų5568.7 Ų68.721%0.20834%0.339CS..  trans-124.5160-178.2-64-64.3-62.4-77.4-4.3110.3D362 E366 P378D362-R376 PolarHBondContact O-NH2 3.11Å; D362-R376 IonicContact OD1-CZ 3.03Å; D362-R376 IonicContact OD1-NE 3.8Å; D362-R376 PolarHBondContact OD1-NE 3.48Å; D362-R376 IonicContact OD1-NH2 3.62Å; D362-R376 PolarHBondContact OD1-NH2 3.44Å; D362-R376 IonicContact OD2-NH2 3.35Å; E366-R376 IonicContact OE2-CZ 3.27Å; E366-R376 IonicContact OE2-NH1 2.92Å; E366-R376 PolarHBondContact OE2-NH1 2.77Å; E366-R376 IonicContact OE2-NH2 2.71Å; E366-R376 PolarHBondContact OE2-NH2 2.91Å; R376-P378 WeakPolarHBondContact O-CD 3.45Å
377L92Very high84.5Confident1 Ų170.6 Ų70.61%0.00535%0.354CS..  trans-66.9125.9178.4-169.466.1000110.3F337 I342 L358 D362 Q381 Q382 R457F337-L377 HydrophobicContact CD1-CB 4.16Å; F337-L377 HydrophobicContact CE1-CB 4.05Å; I342-L377 HydrophobicContact CD1-CD1 3.98Å; L358-L377 HydrophobicContact CB-CD1 4.18Å; L358-L377 HydrophobicContact CB-CD2 4.08Å; L358-L377 HydrophobicContact CD1-CD1 4.4Å; D362-L377 HydrophobicContact CB-CB 3.85Å; D362-L377 PolarHBondContact OD1-N 3Å; L377-Q381 HydrophobicContact CD1-CB 3.95Å; L377-Q381 HydrophobicContact CG-CB 4.2Å; L377-Q382 HydrophobicContact CD2-CG 3.86Å; L377-Q382 HydrophobicContact CG-CG 4.2Å; L377-R457 PolarHBondContact O-NH2 3.08Å
378P89.1Confident83Confident59 Ų5975 Ų7538%0.38337%0.374SS..  trans-59.2139.8173.4-25.735000111.6R376 R380 Q381 Q382R376-P378 WeakPolarHBondContact O-CD 3.45Å; P378-R380 PolarHBondContact O-N 3.48Å; P378-R380 VanDerWaalsContact O-N 3.1Å; P378-Q381 PolarHBondContact O-N 3.12Å; P378-Q382 PolarHBondContact O-N 3.22Å
379R84.7Confident81.3Confident184 Ų18475.3 Ų75.369%0.69438%0.379SS*.THydrogen-bonded Turntrans-54.5-34.9-178.7-74.6-171.2176.6172.8-0.4113.4Q381 Q382R379-Q381 PolarHBondContact O-N 3.49Å; R379-Q382 PolarHBondContact O-N 3.2Å
380R85.4Confident79.7Confident244 Ų24474.8 Ų74.892%0.92138%0.376SS*.THydrogen-bonded Turntrans-62.2-22.1177.4-62.6-178-178.5179.20.1113.5P378P378-R380 PolarHBondContact O-N 3.48Å; P378-R380 VanDerWaalsContact O-N 3.1Å
381Q83.8Confident78.1Confident42 Ų4270.1 Ų70.120%0.19634%0.344CS..THydrogen-bonded Turntrans-101.5-18.5-177.6-67.4175.8-7.300113.4R355 L377 P378 R379R355-Q381 PolarHBondContact NE-O 3.2Å; R355-Q381 VanDerWaalsContact NE-O 3.13Å; R355-Q381 PolarHBondContact NH2-O 2.6Å; L377-Q381 HydrophobicContact CD1-CB 3.95Å; L377-Q381 HydrophobicContact CG-CB 4.2Å; P378-Q381 PolarHBondContact O-N 3.12Å; R379-Q381 PolarHBondContact O-N 3.49Å
382Q83.7Confident76.5Confident77 Ų7769.7 Ų69.736%0.3633%0.331SS..  trans-56.2138.1173.5-72.2176.5-18.600110D362 L377 P378 R379D362-Q382 PolarHBondContact OD2-NE2 3.19Å; L377-Q382 HydrophobicContact CD2-CG 3.86Å; L377-Q382 HydrophobicContact CG-CG 4.2Å; P378-Q382 PolarHBondContact O-N 3.22Å; R379-Q382 PolarHBondContact O-N 3.2Å
383V81.8Confident74.9Confident26 Ų2670.1 Ų70.116%0.15834%0.335CS..  trans-132.5153.7175.9-65.60000109.5R355 R356 S359 I385R355-V383 HydrophobicContact CB-CG2 4.26Å; R356-V383 HydrophobicContact CB-CG2 4.28Å; R356-V383 HydrophobicContact CG-CG2 3.64Å; S359-V383 WeakPolarHBondContact CB-O 3.42Å; S359-V383 PolarHBondContact OG-N 3.49Å; V383-I385 PolarHBondContact O-N 2.84Å
384P74.1Confident73.6Confident83 Ų8364.1 Ų64.154%0.53931%0.312SS..  trans-53.8125.9168.1-23.833.5000110
385I73.5Confident72.1Confident5 Ų565.7 Ų65.73%0.02632%0.323CS..SBendtrans-69.6-46.4-172.8-59.8162.3000110.2L360 V383 P426L360-I385 HydrophobicContact CB-CD1 3.91Å; L360-I385 HydrophobicContact CB-CG1 4.11Å; L360-I385 HydrophobicContact CB-CG2 3.77Å; L360-I385 HydrophobicContact CD1-CD1 3.89Å; L360-I385 HydrophobicContact CD1-CG2 4.32Å; L360-I385 HydrophobicContact CD2-CG2 3.91Å; L360-I385 HydrophobicContact CG-CD1 4.46Å; L360-I385 HydrophobicContact CG-CG2 4.21Å; V383-I385 PolarHBondContact O-N 2.84Å; I385-P426 HydrophobicContact CD1-CB 3.77Å; I385-P426 HydrophobicContact CD1-CG 3.66Å; I385-P426 PolarHBondContact N-O 2.68Å
386F69.6Low70.8Confident35 Ų3568.5 Ų68.515%0.15433%0.329CS..  trans-125.788177.1-48.1-77.8000109.4L360 Q388 L390 G427 Y428L360-F386 HydrophobicContact CD2-CZ 4.12Å; F386-Q388 PolarHBondContact O-N 3.35Å; F386-Q388 VanDerWaalsContact O-N 3.14Å; F386-L390 HydrophobicContact CD1-CD2 3.73Å; F386-L390 HydrophobicContact CE1-CD2 3.84Å; F386-G427 WeakPolarHBondContact CB-O 3.46Å; F386-G427 WeakPolarHBondContact CD2-O 3.44Å; F386-Y428 HydrophobicContact CD2-CD1 4.25Å; F386-Y428 HydrophobicContact CD2-CE1 4.35Å; F386-Y428 HydrophobicContact CE2-CD1 4.07Å; F386-Y428 AromaticContact CE2-CE1 3.73Å; F386-Y428 HydrophobicContact CE2-CE1 3.73Å
387P56Low69.5Low73 Ų7369.3 Ų69.347%0.47434%0.342SS..SBendtrans-67.4-12.7178.727.6-34.9000112.9
388Q58.9Low68.5Low110 Ų11075.3 Ų75.351%0.51437%0.368SS..SBendtrans-142.6155-179.2-68.3-175.9-100109.4F386F386-Q388 PolarHBondContact O-N 3.35Å; F386-Q388 VanDerWaalsContact O-N 3.14Å
389P55.7Low67.8Low43 Ų4376.5 Ų76.528%0.27937%0.366SS..  trans-51.4143.8170.4-2533.1000111.3I391P389-I391 PolarHBondContact O-N 3.09Å
390L57.2Low67.8Low23 Ų2369 Ų6912%0.1234%0.342CS..  trans-53.7136.4177.4-65.3175.7000109.7L39 F386 T392 D393 R394L39-L390 HydrophobicContact CB-CD2 4.22Å; L39-L390 HydrophobicContact CD2-CD1 4.48Å; L39-L390 HydrophobicContact CD2-CD2 4.38Å; F386-L390 HydrophobicContact CD1-CD2 3.73Å; F386-L390 HydrophobicContact CE1-CD2 3.84Å; L390-T392 PolarHBondContact O-N 2.95Å; L390-T392 VanDerWaalsContact O-N 3.09Å; L390-D393 WeakPolarHBondContact O-CB 3.12Å; L390-D393 PolarHBondContact O-N 2.9Å; L390-R394 PolarHBondContact O-N 3.36Å
391I50.4Low68.1Low32 Ų3259 Ų5916%0.16431%0.305CS..Hα-helixtrans-60.9-29.1-174.1-59.6-167.3000111.5L40 A42 Q43 P389 D393 R394 A395L40-I391 HydrophobicContact CB-CD1 4.13Å; L40-I391 HydrophobicContact CD2-CD1 4.39Å; L40-I391 HydrophobicContact CD2-CG1 4.14Å; L40-I391 WeakPolarHBondContact O-CD1 3.22Å; A42-I391 HydrophobicContact CB-CG2 3.94Å; Q43-I391 HydrophobicContact CG-CD1 4.31Å; P389-I391 PolarHBondContact O-N 3.09Å; I391-D393 PolarHBondContact O-N 3.16Å; I391-R394 PolarHBondContact O-N 3.45Å; I391-R394 VanDerWaalsContact O-N 3.17Å; I391-A395 WeakPolarHBondContact O-CB 3.45Å; I391-A395 PolarHBondContact O-N 2.97Å
392T52.7Low68.4Low45 Ų4558 Ų5828%0.27630%0.3SS..Hα-helixtrans-58.9-36.6173.452.30000112.8L390 R396L390-T392 PolarHBondContact O-N 2.95Å; L390-T392 VanDerWaalsContact O-N 3.09Å; T392-R396 WeakPolarHBondContact O-CB 3.23Å; T392-R396 WeakPolarHBondContact O-CG 2.99Å; T392-R396 PolarHBondContact O-N 3.36Å; T392-R396 VanDerWaalsContact O-N 3.14Å
393D57.8Low68.7Low33 Ų3360 Ų6018%0.17631%0.314CS..Hα-helixtrans-72.9-40.1176.3-67.5-23.7000110.2L390 I391 A395 R396 C397 W485 H486 R498L390-D393 WeakPolarHBondContact O-CB 3.12Å; L390-D393 PolarHBondContact O-N 2.9Å; I391-D393 PolarHBondContact O-N 3.16Å; D393-A395 VanDerWaalsContact C-N 3.35Å; D393-A395 PolarHBondContact O-N 3.27Å; D393-R396 CarbonylContact O-C 3.5Å; D393-R396 PolarHBondContact O-N 3.29Å; D393-C397 WeakPolarHBondContact O-CA 3.17Å; D393-C397 WeakPolarHBondContact O-CB 3.22Å; D393-C397 PolarHBondContact O-N 2.69Å; D393-W485 PolarHBondContact OD1-NE1 3.42Å; D393-H486 IonicContact OD1-CD2 3.27Å; D393-H486 IonicContact OD1-NE2 2.78Å; D393-H486 PolarHBondContact OD1-NE2 3.02Å; D393-R498 IonicContact OD1-CZ 2.8Å; D393-R498 IonicContact OD1-NH1 3Å; D393-R498 IonicContact OD1-NH2 2.61Å; D393-R498 PolarHBondContact OD1-NH2 2.91Å; D393-R498 IonicContact OD2-CZ 3.41Å; D393-R498 VanDerWaalsContact OD2-CZ 3.27Å; D393-R498 IonicContact OD2-NH1 3.68Å; D393-R498 PolarHBondContact OD2-NH1 3.19Å; D393-R498 IonicContact OD2-NH2 3.15Å; D393-R498 PolarHBondContact OD2-NH2 3.18Å
394R62.4Low69.2Low118 Ų11862.3 Ų62.345%0.44532%0.324SS..Hα-helixtrans-60.9-40.8172.9-70.1-176.3169.8171.8-3.3113L390 I391 R396 C397L390-R394 PolarHBondContact O-N 3.36Å; I391-R394 PolarHBondContact O-N 3.45Å; I391-R394 VanDerWaalsContact O-N 3.17Å; R394-R396 VanDerWaalsContact C-N 3.3Å; R394-R396 PolarHBondContact O-N 2.94Å; R394-C397 PolarHBondContact O-SG 3.19Å
395A58.1Low70.2Confident54 Ų5458.4 Ų58.445%0.44630%0.298SS..Hα-helixtrans-73.6-23.4-179.900000113I391 D393I391-A395 WeakPolarHBondContact O-CB 3.45Å; I391-A395 PolarHBondContact O-N 2.97Å; D393-A395 VanDerWaalsContact C-N 3.35Å; D393-A395 PolarHBondContact O-N 3.27Å
396R66.8Low71.2Confident96 Ų9658.7 Ų58.736%0.36230%0.302SS..Hα-helixtrans-109.74.5-178.5-63.4-177.2-176.3-132.23.9113.4T392 D393 R394 K398 Y399 W485T392-R396 WeakPolarHBondContact O-CB 3.23Å; T392-R396 WeakPolarHBondContact O-CG 2.99Å; T392-R396 PolarHBondContact O-N 3.36Å; T392-R396 VanDerWaalsContact O-N 3.14Å; D393-R396 CarbonylContact O-C 3.5Å; D393-R396 PolarHBondContact O-N 3.29Å; R394-R396 VanDerWaalsContact C-N 3.3Å; R394-R396 PolarHBondContact O-N 2.94Å; R396-K398 PolarHBondContact O-N 2.66Å; R396-K398 VanDerWaalsContact O-N 3.13Å; R396-Y399 HydrophobicContact CB-CD2 4.28Å; R396-Y399 PolarHBondContact O-N 2.86Å; R396-W485 HydrophobicContact CB-CD2 3.9Å; R396-W485 HydrophobicContact CB-CE3 4.2Å; R396-W485 HydrophobicContact CB-CG 4.44Å; R396-W485 HydrophobicContact CB-CH2 4.06Å; R396-W485 HydrophobicContact CB-CZ2 3.79Å; R396-W485 HydrophobicContact CB-CZ3 4.28Å; R396-W485 VanDerWaalsContact CD-CB 3.49Å; R396-W485 VanDerWaalsContact CD-CD2 3.49Å; R396-W485 HydrophobicContact CG-CD2 4.35Å; R396-W485 HydrophobicContact CG-CG 4.46Å; R396-W485 WeakPolarHBondContact O-CH2 3.21Å
397C66.7Low72.3Confident73 Ų7359.7 Ų59.749%0.49331%0.307SS..G310 helixtrans-56.7-34.4-176.964.20000112.4D393 R394 Y399 S400D393-C397 WeakPolarHBondContact O-CA 3.17Å; D393-C397 WeakPolarHBondContact O-CB 3.22Å; D393-C397 PolarHBondContact O-N 2.69Å; R394-C397 PolarHBondContact O-SG 3.19Å; C397-Y399 PolarHBondContact O-N 2.7Å; C397-Y399 VanDerWaalsContact O-N 3.08Å; C397-S400 WeakPolarHBondContact O-CB 3.14Å; C397-S400 PolarHBondContact O-N 3.07Å
398K70.3Confident74.2Confident126 Ų12656.2 Ų56.255%0.54828%0.284SS..G310 helixtrans-60.8-16.2175.266.6179.1173.1-175.30115.3P57 R396P57-K398 HydrophobicContact CB-CD 4.38Å; P57-K398 HydrophobicContact CG-CD 4.18Å; P57-K398 VanDerWaalsContact CG-NZ 3.34Å; R396-K398 PolarHBondContact O-N 2.66Å; R396-K398 VanDerWaalsContact O-N 3.13Å
399Y74.9Confident75.9Confident84 Ų8451 Ų5133%0.32926%0.26SS..G310 helixtrans-108.74.6175.7-52-80.8000112.1L53 P57 R396 C397L53-Y399 VanDerWaalsContact CD2-OH 3.24Å; L53-Y399 WeakPolarHBondContact CD2-OH 3.45Å; P57-Y399 HydrophobicContact CB-CD1 4.32Å; P57-Y399 HydrophobicContact CB-CE1 3.34Å; P57-Y399 WeakPolarHBondContact CB-OH 3.25Å; P57-Y399 WeakPolarHBondContact CD-OH 3.3Å; P57-Y399 HydrophobicContact CG-CE1 3.96Å; P57-Y399 WeakPolarHBondContact CG-OH 3.25Å; R396-Y399 HydrophobicContact CB-CD2 4.28Å; R396-Y399 PolarHBondContact O-N 2.86Å; C397-Y399 PolarHBondContact O-N 2.7Å; C397-Y399 VanDerWaalsContact O-N 3.08Å
400S84.5Confident77.8Confident28 Ų2853.2 Ų53.220%0.19626%0.263CS..  trans-78.1139.7-176.3-172.10000110.1C397 K402 E483C397-S400 WeakPolarHBondContact O-CB 3.14Å; C397-S400 PolarHBondContact O-N 3.07Å; S400-K402 PolarHBondContact O-N 3.41Å; S400-K402 VanDerWaalsContact OG-CB 3.29Å; S400-K402 WeakPolarHBondContact OG-CB 3.27Å; S400-K402 PolarHBondContact OG-N 3.42Å; S400-E483 VanDerWaalsContact CA-OE1 3.22Å; S400-E483 WeakPolarHBondContact CA-OE1 3.32Å; S400-E483 WeakPolarHBondContact CB-OE1 3.49Å; S400-E483 PolarHBondContact OG-OE1 3.41Å
401H90.7Very high79.5Confident33 Ų3355 Ų5515%0.15327%0.27CS..THydrogen-bonded Turntrans-73.51.4169.9-6193.1000111.7D403 I404 V405 E483 L520 E521H401-D403 PolarHBondContact O-N 3.27Å; H401-I404 HydrophobicContact CB-CG2 4.29Å; H401-I404 VanDerWaalsContact O-CG2 3.23Å; H401-I404 WeakPolarHBondContact O-CG2 3.37Å; H401-I404 PolarHBondContact O-N 2.88Å; H401-V405 HydrophobicContact CB-CG2 4.46Å; H401-V405 WeakPolarHBondContact O-CB 3.48Å; H401-V405 VanDerWaalsContact O-CG2 3.24Å; H401-V405 WeakPolarHBondContact O-CG2 3.23Å; H401-V405 PolarHBondContact O-N 3.33Å; H401-E483 IonicContact CE1-OE2 3.19Å; H401-E483 IonicContact CG-OE2 3.06Å; H401-E483 PolarHBondContact N-OE1 3.07Å; H401-E483 IonicContact ND1-OE1 2.78Å; H401-E483 IonicContact ND1-OE2 2.58Å; H401-E483 PolarHBondContact ND1-OE2 3.08Å; H401-L520 HydrophobicContact CB-CB 4.38Å; H401-L520 HydrophobicContact CB-CD1 3.68Å; H401-E521 IonicContact CE1-OE1 3.46Å; H401-E521 WeakPolarHBondContact NE2-CG 3.34Å
402K90.3Very high81.5Confident22 Ų2253.5 Ų53.510%0.09626%0.263CS..Hα-helixtrans-58.1-46-176.9-166.5171.9-157.3159.50113.4S400 I404 V405 A406 D421 F432 L481S400-K402 PolarHBondContact O-N 3.41Å; S400-K402 VanDerWaalsContact OG-CB 3.29Å; S400-K402 WeakPolarHBondContact OG-CB 3.27Å; S400-K402 PolarHBondContact OG-N 3.42Å; K402-I404 PolarHBondContact O-N 2.92Å; K402-V405 PolarHBondContact O-N 2.93Å; K402-A406 VanDerWaalsContact O-CB 3.25Å; K402-A406 WeakPolarHBondContact O-CB 3.43Å; K402-A406 PolarHBondContact O-N 2.8Å; K402-D421 WeakPolarHBondContact CE-OD2 3.45Å; K402-D421 IonicContact NZ-OD1 3.2Å; K402-D421 PolarHBondContact NZ-OD1 2.61Å; K402-D421 IonicContact NZ-OD2 3.98Å; K402-D421 PolarHBondContact NZ-OD2 3Å; K402-F432 HydrophobicContact CG-CE2 4.16Å; K402-F432 HydrophobicContact CG-CZ 3.68Å; K402-F432 WeakPolarHBondContact O-CZ 3.24Å; K402-L481 HydrophobicContact CB-CD1 3.63Å; K402-L481 HydrophobicContact CD-CD1 4.45Å; K402-L481 HydrophobicContact CG-CD1 3.85Å
403D90.3Very high83.5Confident119 Ų11951.8 Ų51.864%0.63625%0.252SS*.Hα-helixtrans-66.7-42.3-176.1-63.8-21000111.5H401 A406 E407H401-D403 PolarHBondContact O-N 3.27Å; D403-A406 PolarHBondContact O-N 3.38Å; D403-E407 WeakPolarHBondContact O-CB 3.25Å; D403-E407 PolarHBondContact O-N 3.3Å
404I91.7Very high85.1Confident74 Ų7450.6 Ų50.638%0.37925%0.247SC..Hα-helixtrans-70.3-35.2178.2-160.3-179.3000111.8H401 K402 G408 L526 L529H401-I404 HydrophobicContact CB-CG2 4.29Å; H401-I404 VanDerWaalsContact O-CG2 3.23Å; H401-I404 WeakPolarHBondContact O-CG2 3.37Å; H401-I404 PolarHBondContact O-N 2.88Å; K402-I404 PolarHBondContact O-N 2.92Å; I404-G408 PolarHBondContact O-N 3.43Å; I404-L526 HydrophobicContact CG1-CD1 4.33Å; I404-L529 HydrophobicContact CB-CD2 4.13Å; I404-L529 HydrophobicContact CD1-CD2 4.03Å; I404-L529 HydrophobicContact CG1-CD2 3.6Å; I404-L529 HydrophobicContact CG2-CD2 3.9Å; I404-L529 VanDerWaalsContact O-CD2 3.26Å; I404-L529 WeakPolarHBondContact O-CD2 3.03Å
405V95.4Very high86.4Confident0 Ų051.8 Ų51.80%026%0.258CS..Hα-helixtrans-69.9-40.21741720000111.2H401 K402 E407 G408 L409 F432 L481 L515 L520 L529 L533H401-V405 HydrophobicContact CB-CG2 4.46Å; H401-V405 WeakPolarHBondContact O-CB 3.48Å; H401-V405 VanDerWaalsContact O-CG2 3.24Å; H401-V405 WeakPolarHBondContact O-CG2 3.23Å; H401-V405 PolarHBondContact O-N 3.33Å; K402-V405 PolarHBondContact O-N 2.93Å; V405-E407 VanDerWaalsContact C-N 3.32Å; V405-E407 PolarHBondContact O-N 3.13Å; V405-G408 PolarHBondContact O-N 3.49Å; V405-L409 HydrophobicContact CG1-CD1 4.04Å; V405-L409 HydrophobicContact CG1-CG 4.3Å; V405-L409 WeakPolarHBondContact O-CB 3.39Å; V405-L409 WeakPolarHBondContact O-CG 3.49Å; V405-L409 PolarHBondContact O-N 3.4Å; V405-F432 HydrophobicContact CB-CE2 4.04Å; V405-F432 HydrophobicContact CB-CZ 4.23Å; V405-F432 HydrophobicContact CG1-CD2 4.08Å; V405-F432 HydrophobicContact CG1-CE2 3.47Å; V405-F432 VanDerWaalsContact CG1-CE2 3.47Å; V405-F432 HydrophobicContact CG1-CZ 3.95Å; V405-L481 HydrophobicContact CB-CD2 4.36Å; V405-L481 HydrophobicContact CG1-CD2 4.38Å; V405-L481 HydrophobicContact CG2-CD2 3.99Å; V405-L515 HydrophobicContact CG1-CD1 4.03Å; V405-L520 HydrophobicContact CG2-CD1 4.45Å; V405-L520 HydrophobicContact CG2-CD2 3.79Å; V405-L529 HydrophobicContact CG2-CD1 4.4Å; V405-L529 HydrophobicContact CG2-CD2 4.33Å; V405-L533 HydrophobicContact CG1-CD1 4.38Å; V405-L533 HydrophobicContact CG1-CD2 4.26Å
406A93.9Very high87.9Confident11 Ų1153.5 Ų53.59%0.09126%0.257CS..Hα-helixtrans-59.1-46.6174.500000110.5K402 D403 L409 R410 Y418 F432K402-A406 VanDerWaalsContact O-CB 3.25Å; K402-A406 WeakPolarHBondContact O-CB 3.43Å; K402-A406 PolarHBondContact O-N 2.8Å; D403-A406 PolarHBondContact O-N 3.38Å; A406-L409 PolarHBondContact O-N 2.77Å; A406-R410 WeakPolarHBondContact O-CB 3.26Å; A406-R410 PolarHBondContact O-N 3.33Å; A406-Y418 PolarHBondContact O-OH 3.33Å; A406-F432 HydrophobicContact CB-CE1 3.65Å; A406-F432 HydrophobicContact CB-CZ 3.85Å
407E93.9Very high89.1Confident56 Ų5650.7 Ų50.726%0.26225%0.247SC..Hα-helixtrans-63.3-42.2175.9-179.756.8-16000112.2D403 V405 L409 R410 Q411 L526D403-E407 WeakPolarHBondContact O-CB 3.25Å; D403-E407 PolarHBondContact O-N 3.3Å; V405-E407 VanDerWaalsContact C-N 3.32Å; V405-E407 PolarHBondContact O-N 3.13Å; E407-L409 PolarHBondContact O-N 3.35Å; E407-R410 VanDerWaalsContact CD-NH2 3.26Å; E407-R410 PolarHBondContact O-N 2.58Å; E407-R410 IonicContact OE1-CZ 2.82Å; E407-R410 IonicContact OE1-NE 2.71Å; E407-R410 IonicContact OE1-NH2 3.62Å; E407-R410 PolarHBondContact OE1-NH2 3.13Å; E407-R410 IonicContact OE2-CZ 3.85Å; E407-R410 IonicContact OE2-NE 3.93Å; E407-R410 PolarHBondContact OE2-NE 3.33Å; E407-R410 IonicContact OE2-NH2 2.73Å; E407-R410 PolarHBondContact OE2-NH2 2.87Å; E407-Q411 PolarHBondContact O-N 3.08Å; E407-Q411 PolarHBondContact OE1-NE2 2.94Å; E407-L526 HydrophobicContact CB-CD1 4.36Å; E407-L526 HydrophobicContact CG-CD1 3.99Å; E407-L526 HydrophobicContact CG-CD2 3.76Å
408G95.1Very high90.4Very high0 Ų048.2 Ų48.20%023%0.227CC..Hα-helixtrans-61.8-40.9175.100000113.2I404 V405 L412I404-G408 PolarHBondContact O-N 3.43Å; V405-G408 PolarHBondContact O-N 3.49Å; G408-L412 WeakPolarHBondContact O-CB 3.46Å; G408-L412 PolarHBondContact O-N 2.98Å; G408-L412 VanDerWaalsContact O-N 3.14Å
409L95.4Very high91.4Very high0 Ų047.4 Ų47.40%022%0.221CC..Hα-helixtrans-69.4-41.2175.5-71.4172.9000111.8V405 A406 E407 Q411 L412 L413 Y418 F432 L479 L533 L537V405-L409 HydrophobicContact CG1-CD1 4.04Å; V405-L409 HydrophobicContact CG1-CG 4.3Å; V405-L409 WeakPolarHBondContact O-CB 3.39Å; V405-L409 WeakPolarHBondContact O-CG 3.49Å; V405-L409 PolarHBondContact O-N 3.4Å; A406-L409 PolarHBondContact O-N 2.77Å; E407-L409 PolarHBondContact O-N 3.35Å; L409-Q411 PolarHBondContact O-N 3.49Å; L409-L412 PolarHBondContact O-N 2.78Å; L409-L412 VanDerWaalsContact O-N 3.15Å; L409-L413 HydrophobicContact CD2-CD1 3.99Å; L409-L413 WeakPolarHBondContact O-CB 3.36Å; L409-L413 PolarHBondContact O-N 2.78Å; L409-Y418 HydrophobicContact CB-CD1 4.19Å; L409-Y418 HydrophobicContact CB-CE1 3.93Å; L409-F432 HydrophobicContact CD1-CB 4Å; L409-F432 HydrophobicContact CD1-CD1 3.72Å; L409-F432 HydrophobicContact CD1-CD2 4Å; L409-F432 HydrophobicContact CD1-CE1 4.16Å; L409-F432 HydrophobicContact CD1-CE2 4.41Å; L409-F432 HydrophobicContact CD1-CG 3.63Å; L409-F432 HydrophobicContact CD1-CZ 4.48Å; L409-L479 HydrophobicContact CD1-CD2 3.88Å; L409-L479 HydrophobicContact CD2-CD2 3.83Å; L409-L479 HydrophobicContact CG-CD2 4.41Å; L409-L533 HydrophobicContact CD2-CD1 4.23Å; L409-L533 HydrophobicContact CG-CD1 4.19Å; L409-L537 HydrophobicContact CD2-CD1 4.26Å
410R94.6Very high92.2Very high91 Ų9147 Ų4734%0.34322%0.222SC..Hα-helixtrans-57.5-49.2176.7-170.9-177.471.281.21.4111.2A406 E407 L412 G414 E415A406-R410 WeakPolarHBondContact O-CB 3.26Å; A406-R410 PolarHBondContact O-N 3.33Å; E407-R410 VanDerWaalsContact CD-NH2 3.26Å; E407-R410 PolarHBondContact O-N 2.58Å; E407-R410 IonicContact OE1-CZ 2.82Å; E407-R410 IonicContact OE1-NE 2.71Å; E407-R410 IonicContact OE1-NH2 3.62Å; E407-R410 PolarHBondContact OE1-NH2 3.13Å; E407-R410 IonicContact OE2-CZ 3.85Å; E407-R410 IonicContact OE2-NE 3.93Å; E407-R410 PolarHBondContact OE2-NE 3.33Å; E407-R410 IonicContact OE2-NH2 2.73Å; E407-R410 PolarHBondContact OE2-NH2 2.87Å; R410-L412 VanDerWaalsContact C-N 3.29Å; R410-L412 PolarHBondContact O-N 2.69Å; R410-G414 VanDerWaalsContact O-CA 3.3Å; R410-G414 WeakPolarHBondContact O-CA 3.24Å; R410-G414 PolarHBondContact O-N 3.14Å; R410-E415 HydrophobicContact CG-CB 4.35Å
411Q93.4Very high92.3Very high60 Ų6048.8 Ų48.828%0.2823%0.23SC..Hα-helixtrans-71.2-19.9177.1-66.9-169.510.900114.2E407 L409 K530E407-Q411 PolarHBondContact O-N 3.08Å; E407-Q411 PolarHBondContact OE1-NE2 2.94Å; L409-Q411 PolarHBondContact O-N 3.49Å; Q411-K530 HydrophobicContact CB-CD 4.19Å
412L93.3Very high92.1Very high0 Ų049 Ų490%023%0.231CC..Hα-helixtrans-90.4-44.1-178.4-174.262.6000112.3G408 L409 R410 K530 L533 R534 L537 W544G408-L412 WeakPolarHBondContact O-CB 3.46Å; G408-L412 PolarHBondContact O-N 2.98Å; G408-L412 VanDerWaalsContact O-N 3.14Å; L409-L412 PolarHBondContact O-N 2.78Å; L409-L412 VanDerWaalsContact O-N 3.15Å; R410-L412 VanDerWaalsContact C-N 3.29Å; R410-L412 PolarHBondContact O-N 2.69Å; L412-K530 HydrophobicContact CB-CD 4.4Å; L412-K530 HydrophobicContact CB-CG 4.15Å; L412-K530 HydrophobicContact CD1-CD 4.3Å; L412-K530 HydrophobicContact CD1-CG 3.94Å; L412-L533 HydrophobicContact CD2-CB 4.13Å; L412-R534 HydrophobicContact CD1-CB 4.18Å; L412-R534 VanDerWaalsContact CD1-NH2 3.27Å; L412-R534 HydrophobicContact CD2-CB 4.11Å; L412-L537 HydrophobicContact CD2-CD1 3.84Å; L412-W544 HydrophobicContact CD1-CZ2 3.81Å; L412-W544 HydrophobicContact CD2-CH2 4.42Å; L412-W544 HydrophobicContact CD2-CZ2 3.86Å; L412-W544 HydrophobicContact CG-CZ2 3.89Å; L412-W544 PolarHBondContact O-NE1 3.11Å
413L93.5Very high91.9Very high9 Ų950.7 Ų50.75%0.04724%0.244CC..Hα-helixtrans-114.7-26.9-168.2-54.6178.8000113.2L409 K417 L434 L537 W544L409-L413 HydrophobicContact CD2-CD1 3.99Å; L409-L413 WeakPolarHBondContact O-CB 3.36Å; L409-L413 PolarHBondContact O-N 2.78Å; L413-K417 HydrophobicContact CB-CB 3.85Å; L413-K417 HydrophobicContact CB-CG 4.14Å; L413-K417 WeakPolarHBondContact O-CG 3.36Å; L413-L434 HydrophobicContact CD1-CD2 3.44Å; L413-L434 VanDerWaalsContact CD1-CD2 3.44Å; L413-L537 HydrophobicContact CD1-CD1 4.07Å; L413-L537 HydrophobicContact CD2-CD1 4.2Å; L413-L537 HydrophobicContact CG-CD1 4.47Å; L413-W544 HydrophobicContact CD2-CB 3.87Å; L413-W544 HydrophobicContact CD2-CD2 3.45Å; L413-W544 VanDerWaalsContact CD2-CD2 3.45Å; L413-W544 HydrophobicContact CD2-CE3 3.89Å; L413-W544 HydrophobicContact CD2-CG 3.45Å; L413-W544 VanDerWaalsContact CD2-CG 3.45Å
414G91.6Very high91.6Very high8 Ų845 Ų458%0.08221%0.214CC..  trans92.1148.2-162.900000112.6R410 E416 K417R410-G414 VanDerWaalsContact O-CA 3.3Å; R410-G414 WeakPolarHBondContact O-CA 3.24Å; R410-G414 PolarHBondContact O-N 3.14Å; G414-E416 WeakPolarHBondContact CA-OE2 3.5Å; G414-E416 PolarHBondContact O-N 3.35Å; G414-K417 PolarHBondContact O-N 3.34Å
415E89.8Confident91Very high143 Ų14344 Ų4467%0.66821%0.212SC*.G310 helixtrans-64.8-25.3-177.4-167.7-177.7168.500112.6R410 K417R410-E415 HydrophobicContact CG-CB 4.35Å; E415-K417 VanDerWaalsContact C-N 3.27Å; E415-K417 PolarHBondContact O-N 3.03Å
416E90.6Very high90Very high90 Ų9045.4 Ų45.442%0.42122%0.221SC..G310 helixtrans-76.6-11.9-179.178.5-68.7169.600114G414 P444 V445G414-E416 WeakPolarHBondContact CA-OE2 3.5Å; G414-E416 PolarHBondContact O-N 3.35Å; E416-P444 HydrophobicContact CG-CB 4.34Å; E416-P444 CarbonylContact O-C 3.59Å; E416-P444 WeakPolarHBondContact O-CA 3.47Å; E416-V445 PolarHBondContact O-N 3.2Å
417K91.9Very high89.3Confident37 Ų3745 Ų4516%0.16122%0.218CC..G310 helixtrans-91.7-7.9-175-63.8-57.7-169.6161.60114.8L413 G414 E415 V442 P444 V445L413-K417 HydrophobicContact CB-CB 3.85Å; L413-K417 HydrophobicContact CB-CG 4.14Å; L413-K417 WeakPolarHBondContact O-CG 3.36Å; G414-K417 PolarHBondContact O-N 3.34Å; E415-K417 VanDerWaalsContact C-N 3.27Å; E415-K417 PolarHBondContact O-N 3.03Å; K417-V442 HydrophobicContact CB-CG1 3.95Å; K417-V442 HydrophobicContact CD-CG1 4.24Å; K417-V442 HydrophobicContact CG-CG1 4.37Å; K417-V442 PolarHBondContact NZ-O 2.97Å; K417-P444 HydrophobicContact CD-CG 4.38Å; K417-V445 VanDerWaalsContact C-CG2 3.43Å; K417-V445 WeakPolarHBondContact O-CG2 3.42Å
418Y93.5Very high88.9Confident21 Ų2142.5 Ų42.58%0.08221%0.206CC..EExtended strand (participates in β ladder)trans-141.1162.3177.871.2-86.6000112.7A406 L409 Q420 F432 L433A406-Y418 PolarHBondContact O-OH 3.33Å; L409-Y418 HydrophobicContact CB-CD1 4.19Å; L409-Y418 HydrophobicContact CB-CE1 3.93Å; Y418-Q420 HydrophobicContact CE2-CB 4.33Å; Y418-F432 AromaticContact CD2-CD1 3.7Å; Y418-F432 HydrophobicContact CD2-CD1 3.7Å; Y418-F432 HydrophobicContact CD2-CE1 4.48Å; Y418-F432 AromaticContact CE2-CD1 3.73Å; Y418-F432 HydrophobicContact CE2-CD1 3.73Å; Y418-F432 HydrophobicContact CE2-CE1 4.05Å; Y418-L433 CarbonylContact C-O 3.55Å; Y418-L433 VanDerWaalsContact CA-O 3.24Å; Y418-L433 WeakPolarHBondContact CA-O 3.45Å
419R92.1Very high88.3Confident109 Ų10943.4 Ų43.441%0.41121%0.212SC..EExtended strand (participates in β ladder)trans-117.9132.9168.8-67.4-73.3-169.3-179.34.2109L422 F432 L433 V445R419-L422 HydrophobicContact CB-CB 4.38Å; R419-F432 CarbonylContact O-C 3.46Å; R419-F432 VanDerWaalsContact O-CA 3.3Å; R419-F432 WeakPolarHBondContact O-CA 3.36Å; R419-L433 PolarHBondContact N-O 2.77Å; R419-L433 PolarHBondContact O-N 3.04Å; R419-V445 HydrophobicContact CG-CB 3.97Å; R419-V445 HydrophobicContact CG-CG1 3.36Å; R419-V445 HydrophobicContact CG-CG2 4.31Å
420Q90.1Very high88Confident75 Ų7543.4 Ų43.435%0.3521%0.212SC..EExtended strand (participates in β ladder)trans-99.8143.6174.7-176.1176.7-29.100110.1Y418 L422 D431 F432Y418-Q420 HydrophobicContact CE2-CB 4.33Å; Q420-L422 VanDerWaalsContact C-N 3.25Å; Q420-L422 PolarHBondContact O-N 2.92Å; Q420-D431 WeakPolarHBondContact CA-O 3.42Å; Q420-F432 HydrophobicContact CB-CD1 4.12Å; Q420-F432 HydrophobicContact CB-CE1 4.21Å; Q420-F432 HydrophobicContact CG-CD1 4.12Å; Q420-F432 HydrophobicContact CG-CE1 3.83Å
421D86.8Confident87.9Confident67 Ų6739.6 Ų39.636%0.35820%0.199SC..SBendtrans58.529.7173.3-77.2-61.1000115.1K402 T423 T430 D431K402-D421 WeakPolarHBondContact CE-OD2 3.45Å; K402-D421 IonicContact NZ-OD1 3.2Å; K402-D421 PolarHBondContact NZ-OD1 2.61Å; K402-D421 IonicContact NZ-OD2 3.98Å; K402-D421 PolarHBondContact NZ-OD2 3Å; D421-T423 PolarHBondContact O-N 3.24Å; D421-T430 WeakPolarHBondContact CA-O 3.46Å; D421-T430 PolarHBondContact N-O 3.33Å; D421-D431 PolarHBondContact N-O 2.88Å
422L87.1Confident87.9Confident36 Ų3636.8 Ų36.819%0.18819%0.185CC..  trans-74.3124.5-179.5-174.268.6000110.4R419 Q420 V424 C429 T430 L433 P450 F451R419-L422 HydrophobicContact CB-CB 4.38Å; Q420-L422 VanDerWaalsContact C-N 3.25Å; Q420-L422 PolarHBondContact O-N 2.92Å; L422-V424 HydrophobicContact CD2-CG1 4.12Å; L422-V424 HydrophobicContact CG-CG1 4.29Å; L422-V424 PolarHBondContact O-N 3.43Å; L422-C429 CarbonylContact O-C 3.52Å; L422-C429 WeakPolarHBondContact O-CA 3.4Å; L422-T430 PolarHBondContact O-N 2.98Å; L422-T430 PolarHBondContact O-OG1 3.34Å; L422-T430 VanDerWaalsContact O-OG1 3.08Å; L422-L433 HydrophobicContact CD2-CD1 4.17Å; L422-P450 HydrophobicContact CD2-CB 3.6Å; L422-P450 HydrophobicContact CD2-CG 3.73Å; L422-F451 HydrophobicContact CD1-CE1 4.2Å; L422-F451 HydrophobicContact CD1-CZ 4.08Å; L422-F451 HydrophobicContact CD2-CD1 4.48Å; L422-F451 HydrophobicContact CD2-CE1 3.87Å; L422-F451 HydrophobicContact CD2-CZ 4.29Å; L422-F451 HydrophobicContact CG-CE1 4.07Å; L422-F451 HydrophobicContact CG-CZ 4.44Å
423T85.5Confident88Confident58 Ų5836.8 Ų36.836%0.35619%0.185SC..EExtended strand (participates in β ladder)trans-85.1108.8171.8-60.80000109.4D421 Y428D421-T423 PolarHBondContact O-N 3.24Å; T423-Y428 CarbonylContact C-O 3.39Å; T423-Y428 WeakPolarHBondContact CA-O 3.44Å
424V84Confident88.1Confident1 Ų136.3 Ų36.31%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-91.8147.6177.5-58.30000110.8L422 G427 Y428 T430 L433 F451 L505 M508 Y510L422-V424 HydrophobicContact CD2-CG1 4.12Å; L422-V424 HydrophobicContact CG-CG1 4.29Å; L422-V424 PolarHBondContact O-N 3.43Å; V424-G427 CarbonylContact O-C 3.54Å; V424-G427 WeakPolarHBondContact O-CA 3.46Å; V424-G427 PolarHBondContact O-N 3.18Å; V424-Y428 WeakPolarHBondContact CG2-O 3.48Å; V424-Y428 PolarHBondContact N-O 2.81Å; V424-Y428 PolarHBondContact O-N 3.4Å; V424-T430 HydrophobicContact CG1-CG2 3.95Å; V424-T430 HydrophobicContact CG2-CG2 4.15Å; V424-L433 HydrophobicContact CG1-CD1 4.31Å; V424-F451 HydrophobicContact CB-CD1 4.29Å; V424-F451 HydrophobicContact CG1-CD1 4.07Å; V424-F451 HydrophobicContact CG1-CE1 4.2Å; V424-L505 HydrophobicContact CG2-CD2 3.6Å; V424-M508 HydrophobicContact CG2-CE 4.34Å; V424-Y510 WeakPolarHBondContact CB-OH 3.27Å; V424-Y510 HydrophobicContact CG1-CE1 4.32Å; V424-Y510 WeakPolarHBondContact CG1-OH 3.35Å; V424-Y510 HydrophobicContact CG2-CE2 4.2Å
425P78.9Confident88.1Confident53 Ų5336 Ų3634%0.34418%0.179SC..THydrogen-bonded Turntrans-49.6137.3171.9-27.635.4000111.3Y454P425-Y454 HydrophobicContact CB-CD2 3.96Å
426P75.3Confident88.2Confident28 Ų2829.2 Ų29.218%0.18215%0.148CC..THydrogen-bonded Turncis-91.813.2626.5-12.1000113.7T363 I385 Y428 Y454T363-P426 HydrophobicContact CG2-CG 3.41Å; T363-P426 VanDerWaalsContact CG2-CG 3.41Å; T363-P426 VanDerWaalsContact OG1-CG 3.22Å; T363-P426 WeakPolarHBondContact OG1-CG 3.3Å; I385-P426 HydrophobicContact CD1-CB 3.77Å; I385-P426 HydrophobicContact CD1-CG 3.66Å; I385-P426 PolarHBondContact N-O 2.68Å; P426-Y428 HydrophobicContact CG-CE2 4.36Å; P426-Y454 HydrophobicContact CB-CE2 4.15Å; P426-Y454 HydrophobicContact CG-CE2 3.78Å
427G79.8Confident88.2Confident3 Ų326 Ų263%0.03114%0.135CC..THydrogen-bonded Turntrans142.519.7179.800000114.4F386 V424F386-G427 WeakPolarHBondContact CB-O 3.46Å; F386-G427 WeakPolarHBondContact CD2-O 3.44Å; V424-G427 CarbonylContact O-C 3.54Å; V424-G427 WeakPolarHBondContact O-CA 3.46Å; V424-G427 PolarHBondContact O-N 3.18Å
428Y84Confident87.9Confident4 Ų427.2 Ų27.22%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-83.1125.2177.1-71.1-62.4000110.6L360 F386 T423 V424 P426 R501 H504 M508L360-Y428 WeakPolarHBondContact CD1-OH 3.39Å; F386-Y428 HydrophobicContact CD2-CD1 4.25Å; F386-Y428 HydrophobicContact CD2-CE1 4.35Å; F386-Y428 HydrophobicContact CE2-CD1 4.07Å; F386-Y428 AromaticContact CE2-CE1 3.73Å; F386-Y428 HydrophobicContact CE2-CE1 3.73Å; T423-Y428 CarbonylContact C-O 3.39Å; T423-Y428 WeakPolarHBondContact CA-O 3.44Å; V424-Y428 WeakPolarHBondContact CG2-O 3.48Å; V424-Y428 PolarHBondContact N-O 2.81Å; V424-Y428 PolarHBondContact O-N 3.4Å; P426-Y428 HydrophobicContact CG-CE2 4.36Å; Y428-R501 HydrophobicContact CD1-CB 3.85Å; Y428-R501 HydrophobicContact CD1-CG 3.6Å; Y428-R501 HydrophobicContact CE1-CB 3.84Å; Y428-R501 HydrophobicContact CE1-CG 4.12Å; Y428-R501 HydrophobicContact CG-CG 4.18Å; Y428-H504 HydrophobicContact CD2-CB 4.33Å; Y428-H504 HydrophobicContact CE2-CB 3.51Å; Y428-H504 AromaticContact CE2-CG 3.99Å; Y428-H504 AromaticContact CE2-ND1 3.63Å; Y428-H504 AromaticContact CZ-ND1 3.54Å; Y428-H504 PolarHBondContact OH-CE1 3.38Å; Y428-H504 PolarHBondContact OH-ND1 2.92Å; Y428-M508 HydrophobicContact CD2-CE 4.17Å
429C84.2Confident87.6Confident18 Ų1830.2 Ų30.212%0.12217%0.172CC..EExtended strand (participates in β ladder)trans-74.1133.1168.5-171.50000109.8L422 R501L422-C429 CarbonylContact O-C 3.52Å; L422-C429 WeakPolarHBondContact O-CA 3.4Å; C429-R501 PolarHBondContact O-NE 2.87Å; C429-R501 PolarHBondContact O-NH1 2.82Å
430T88.6Confident87.5Confident0 Ų025.2 Ų25.20%016%0.155CC..PPolyproline II helixtrans-96.4147.1169.462.50000109.9D421 L422 V424 L433 V478 L505D421-T430 WeakPolarHBondContact CA-O 3.46Å; D421-T430 PolarHBondContact N-O 3.33Å; L422-T430 PolarHBondContact O-N 2.98Å; L422-T430 PolarHBondContact O-OG1 3.34Å; L422-T430 VanDerWaalsContact O-OG1 3.08Å; V424-T430 HydrophobicContact CG1-CG2 3.95Å; V424-T430 HydrophobicContact CG2-CG2 4.15Å; T430-L433 HydrophobicContact CG2-CD1 4.46Å; T430-V478 HydrophobicContact CG2-CG1 3.98Å; T430-V478 HydrophobicContact CG2-CG2 3.92Å; T430-L505 HydrophobicContact CG2-CD2 4.33Å
431D91.2Very high87.6Confident12 Ų1223.5 Ų23.56%0.06415%0.153CC..SBendtrans-78.7-55.5-179.3-50-51.6000110Q420 D421 L479 V480 L481 R501Q420-D431 WeakPolarHBondContact CA-O 3.42Å; D421-D431 PolarHBondContact N-O 2.88Å; D431-L479 WeakPolarHBondContact CB-O 3.35Å; D431-V480 WeakPolarHBondContact OD2-CA 3.22Å; D431-L481 HydrophobicContact CB-CB 4.43Å; D431-L481 HydrophobicContact CB-CD1 4.17Å; D431-L481 HydrophobicContact CB-CG 4.12Å; D431-L481 PolarHBondContact OD2-N 3.43Å; D431-R501 IonicContact OD1-NH1 2.7Å; D431-R501 IonicContact OD1-NH2 2.7Å; D431-R501 IonicContact OD2-CZ 2.73Å; D431-R501 IonicContact OD2-NH2 3.18Å; D431-R501 PolarHBondContact OD2-NH2 2.71Å
432F95.1Very high87.9Confident0 Ų020.6 Ų20.60%014%0.138CC..EExtended strand (participates in β ladder)trans-136.7136.1165-50.5-87.9000110.6K402 V405 A406 L409 Y418 R419 Q420 V478 L479 L481K402-F432 HydrophobicContact CG-CE2 4.16Å; K402-F432 HydrophobicContact CG-CZ 3.68Å; K402-F432 WeakPolarHBondContact O-CZ 3.24Å; V405-F432 HydrophobicContact CB-CE2 4.04Å; V405-F432 HydrophobicContact CB-CZ 4.23Å; V405-F432 HydrophobicContact CG1-CD2 4.08Å; V405-F432 HydrophobicContact CG1-CE2 3.47Å; V405-F432 VanDerWaalsContact CG1-CE2 3.47Å; V405-F432 HydrophobicContact CG1-CZ 3.95Å; A406-F432 HydrophobicContact CB-CE1 3.65Å; A406-F432 HydrophobicContact CB-CZ 3.85Å; L409-F432 HydrophobicContact CD1-CB 4Å; L409-F432 HydrophobicContact CD1-CD1 3.72Å; L409-F432 HydrophobicContact CD1-CD2 4Å; L409-F432 HydrophobicContact CD1-CE1 4.16Å; L409-F432 HydrophobicContact CD1-CE2 4.41Å; L409-F432 HydrophobicContact CD1-CG 3.63Å; L409-F432 HydrophobicContact CD1-CZ 4.48Å; Y418-F432 AromaticContact CD2-CD1 3.7Å; Y418-F432 HydrophobicContact CD2-CD1 3.7Å; Y418-F432 HydrophobicContact CD2-CE1 4.48Å; Y418-F432 AromaticContact CE2-CD1 3.73Å; Y418-F432 HydrophobicContact CE2-CD1 3.73Å; Y418-F432 HydrophobicContact CE2-CE1 4.05Å; R419-F432 CarbonylContact O-C 3.46Å; R419-F432 VanDerWaalsContact O-CA 3.3Å; R419-F432 WeakPolarHBondContact O-CA 3.36Å; Q420-F432 HydrophobicContact CB-CD1 4.12Å; Q420-F432 HydrophobicContact CB-CE1 4.21Å; Q420-F432 HydrophobicContact CG-CD1 4.12Å; Q420-F432 HydrophobicContact CG-CE1 3.83Å; F432-V478 CarbonylContact O-C 3.56Å; F432-V478 VanDerWaalsContact O-CA 3.29Å; F432-V478 WeakPolarHBondContact O-CA 3.29Å; F432-L479 HydrophobicContact CB-CB 4.18Å; F432-L479 HydrophobicContact CD2-CB 4.33Å; F432-L479 PolarHBondContact N-O 3.48Å; F432-L479 PolarHBondContact O-N 3.33Å; F432-L481 HydrophobicContact CE2-CD1 3.93Å; F432-L481 HydrophobicContact CE2-CG 4.25Å
433L94.5Very high88.1Confident0 Ų020.7 Ų20.70%014%0.139CC..EExtended strand (participates in β ladder)trans-120132.2177.7179.8150.7000110.5Y418 R419 L422 V424 T430 P450 V477 V478 Y510Y418-L433 CarbonylContact C-O 3.55Å; Y418-L433 VanDerWaalsContact CA-O 3.24Å; Y418-L433 WeakPolarHBondContact CA-O 3.45Å; R419-L433 PolarHBondContact N-O 2.77Å; R419-L433 PolarHBondContact O-N 3.04Å; L422-L433 HydrophobicContact CD2-CD1 4.17Å; V424-L433 HydrophobicContact CG1-CD1 4.31Å; T430-L433 HydrophobicContact CG2-CD1 4.46Å; L433-P450 HydrophobicContact CD1-CB 4.44Å; L433-P450 HydrophobicContact CD2-CB 3.68Å; L433-V477 CarbonylContact C-O 3.48Å; L433-V477 WeakPolarHBondContact CA-O 3.45Å; L433-V478 HydrophobicContact CD1-CG2 4.26Å; L433-V478 HydrophobicContact CG-CG2 4.47Å; L433-Y510 HydrophobicContact CD1-CD1 4.26Å; L433-Y510 HydrophobicContact CD1-CE1 3.77Å
434L94.7Very high88.3Confident0 Ų020 Ų200%014%0.136CC..EExtended strand (participates in β ladder)trans-119.8151.4173.8-56.490.8000110L413 V442 R476 V477 L479L413-L434 HydrophobicContact CD1-CD2 3.44Å; L413-L434 VanDerWaalsContact CD1-CD2 3.44Å; L434-V442 HydrophobicContact CD2-CG1 3.97Å; L434-R476 CarbonylContact O-C 3.58Å; L434-R476 WeakPolarHBondContact O-CA 3.35Å; L434-V477 HydrophobicContact CB-CB 4.43Å; L434-V477 PolarHBondContact N-O 3.44Å; L434-V477 PolarHBondContact O-N 2.87Å; L434-L479 HydrophobicContact CD1-CD1 3.22Å; L434-L479 HydrophobicContact CD1-CD2 4.45Å; L434-L479 HydrophobicContact CD1-CG 4.41Å
435C93Very high88.3Confident0 Ų020.1 Ų20.10%014%0.136CC..EExtended strand (participates in β ladder)trans-110.4130.9168.2-63.20000108.8L443 Q448 Q475C435-L443 HydrophobicContact CB-CB 4.46Å; C435-L443 PolarHBondContact O-N 3.31Å; C435-Q448 HydrophobicContact CB-CB 3.9Å; C435-Q448 HydrophobicContact CB-CG 3.78Å; C435-Q475 CarbonylContact C-O 3.55Å; C435-Q475 WeakPolarHBondContact CA-O 3.45Å
436A91.8Very high88.4Confident1 Ų127.5 Ų27.51%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-125.2144.8178.400000110.7A441 A474 Q475 L542A436-A441 CarbonylContact C-O 3.52Å; A436-A441 VanDerWaalsContact CA-O 3.28Å; A436-A441 WeakPolarHBondContact CA-O 3.27Å; A436-A474 CarbonylContact O-C 3.54Å; A436-A474 WeakPolarHBondContact O-CA 3.48Å; A436-A474 WeakPolarHBondContact O-CB 3.2Å; A436-Q475 HydrophobicContact CB-CB 4.47Å; A436-Q475 PolarHBondContact N-O 3.37Å; A436-Q475 PolarHBondContact O-N 3.39Å; A436-L542 HydrophobicContact CB-CD2 3.49Å; A436-L542 VanDerWaalsContact CB-CD2 3.49Å
437S90.2Very high88.6Confident23 Ų2330.9 Ų30.916%0.16118%0.177CC..  trans-67.1168.216862.20000110.8S439 G440 A441S437-S439 PolarHBondContact O-N 3.02Å; S437-S439 PolarHBondContact OG-N 2.88Å; S437-S439 PolarHBondContact OG-OG 3.27Å; S437-G440 WeakPolarHBondContact O-CA 3.16Å; S437-G440 PolarHBondContact O-N 2.76Å; S437-A441 PolarHBondContact N-O 3.45Å; S437-A441 WeakPolarHBondContact OG-CB 3.49Å; S437-A441 PolarHBondContact OG-N 2.81Å
438S86.3Confident88.8Confident62 Ų6233.3 Ų33.343%0.43419%0.188SC..THydrogen-bonded Turntrans-54.4-32168.155.60000114.4G440 D472S438-G440 PolarHBondContact O-N 3.05Å; S438-D472 WeakPolarHBondContact CB-OD1 3.35Å; S438-D472 WeakPolarHBondContact CB-OD2 3.21Å; S438-D472 PolarHBondContact OG-OD1 3.37Å; S438-D472 PolarHBondContact OG-OD2 3.25Å
439S87.5Confident88.8Confident84 Ų8437.7 Ų37.759%0.58721%0.211SC*.THydrogen-bonded Turntrans-77.30.7175.259.70000113.7S437S437-S439 PolarHBondContact O-N 3.02Å; S437-S439 PolarHBondContact OG-N 2.88Å; S437-S439 PolarHBondContact OG-OG 3.27Å
440G89.8Confident88.5Confident5 Ų537.7 Ų37.75%0.05221%0.211CC..  trans83.43.9-179.400000114.5S437 S438 V442 L542 R543S437-G440 WeakPolarHBondContact O-CA 3.16Å; S437-G440 PolarHBondContact O-N 2.76Å; S438-G440 PolarHBondContact O-N 3.05Å; G440-V442 PolarHBondContact O-N 3.22Å; G440-L542 CarbonylContact O-C 3.33Å; G440-L542 VanDerWaalsContact O-CA 3.27Å; G440-L542 WeakPolarHBondContact O-CA 3.5Å; G440-R543 PolarHBondContact O-N 2.46Å
441A91.7Very high88.2Confident38 Ų3841.1 Ų41.131%0.31423%0.226SC..BIsolated β-bridgetrans-71.5124-179.800000111.1A436 S437 L443 R543A436-A441 CarbonylContact C-O 3.52Å; A436-A441 VanDerWaalsContact CA-O 3.28Å; A436-A441 WeakPolarHBondContact CA-O 3.27Å; S437-A441 PolarHBondContact N-O 3.45Å; S437-A441 WeakPolarHBondContact OG-CB 3.49Å; S437-A441 PolarHBondContact OG-N 2.81Å; A441-L443 WeakPolarHBondContact O-CG 3.41Å; A441-L443 PolarHBondContact O-N 2.99Å; A441-R543 CarbonylContact C-O 3.57Å; A441-R543 WeakPolarHBondContact CA-O 3.1Å
442V92.8Very high87.7Confident6 Ų642 Ų424%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-71.8117.5178.4-176.70000110.2K417 L434 G440 L542 R543 W544K417-V442 HydrophobicContact CB-CG1 3.95Å; K417-V442 HydrophobicContact CD-CG1 4.24Å; K417-V442 HydrophobicContact CG-CG1 4.37Å; K417-V442 PolarHBondContact NZ-O 2.97Å; L434-V442 HydrophobicContact CD2-CG1 3.97Å; G440-V442 PolarHBondContact O-N 3.22Å; V442-L542 HydrophobicContact CG2-CB 4.14Å; V442-R543 PolarHBondContact N-O 3.45Å; V442-W544 HydrophobicContact CB-CB 4.48Å; V442-W544 HydrophobicContact CG2-CE3 4.49Å
443L91.1Very high86.4Confident39 Ų3947.1 Ų47.120%0.20426%0.264CS..EExtended strand (participates in β ladder)trans-92.1146.1-174-54.6178.8000111C435 A441 V445 Q448 A474C435-L443 HydrophobicContact CB-CB 4.46Å; C435-L443 PolarHBondContact O-N 3.31Å; A441-L443 WeakPolarHBondContact O-CG 3.41Å; A441-L443 PolarHBondContact O-N 2.99Å; L443-V445 PolarHBondContact O-N 3.33Å; L443-Q448 HydrophobicContact CB-CG 3.9Å; L443-Q448 HydrophobicContact CD1-CG 4.12Å; L443-A474 HydrophobicContact CD1-CB 4.11Å
444P89.5Confident84.8Confident44 Ų4450.9 Ų50.929%0.28628%0.279SS..PPolyproline II helixtrans-60.1127.4170.7-19.532.2000111E416 K417 R446 T447E416-P444 HydrophobicContact CG-CB 4.34Å; E416-P444 CarbonylContact O-C 3.59Å; E416-P444 WeakPolarHBondContact O-CA 3.47Å; K417-P444 HydrophobicContact CD-CG 4.38Å; P444-R446 PolarHBondContact O-N 2.9Å; P444-T447 PolarHBondContact O-N 3.41Å; P444-T447 VanDerWaalsContact O-N 3.14Å; P444-T447 PolarHBondContact O-OG1 3.19Å
445V84.3Confident83Confident2 Ų252.6 Ų52.61%0.01229%0.29CS..G310 helixtrans-70.6-19.3-172.7-168.90000112.4E416 K417 R419 L443 T447 Q448 P450E416-V445 PolarHBondContact O-N 3.2Å; K417-V445 VanDerWaalsContact C-CG2 3.43Å; K417-V445 WeakPolarHBondContact O-CG2 3.42Å; R419-V445 HydrophobicContact CG-CB 3.97Å; R419-V445 HydrophobicContact CG-CG1 3.36Å; R419-V445 HydrophobicContact CG-CG2 4.31Å; L443-V445 PolarHBondContact O-N 3.33Å; V445-T447 PolarHBondContact O-N 2.96Å; V445-Q448 PolarHBondContact O-N 3.43Å; V445-Q448 VanDerWaalsContact O-O 3.07Å; V445-P450 HydrophobicContact CG1-CB 4.31Å
446R80.5Confident80.9Confident208 Ų20856.5 Ų56.579%0.78532%0.316SS*.G310 helixtrans-66.1-21.6175-64.2-172.2-177.1-167.52.6113.3P444P444-R446 PolarHBondContact O-N 2.9Å
447T80.1Confident78.9Confident99 Ų9961.4 Ų61.461%0.60733%0.334SS*.G310 helixtrans-99.4-2.3-179.165.70000113.1P444 V445P444-T447 PolarHBondContact O-N 3.41Å; P444-T447 VanDerWaalsContact O-N 3.14Å; P444-T447 PolarHBondContact O-OG1 3.19Å; V445-T447 PolarHBondContact O-N 2.96Å
448Q83.3Confident76.5Confident55 Ų5565 Ų6526%0.25736%0.359SS..SBendtrans-118.3143.8-174.8-57.6-56.7-51.800109.9C435 L443 V445 P450C435-Q448 HydrophobicContact CB-CB 3.9Å; C435-Q448 HydrophobicContact CB-CG 3.78Å; L443-Q448 HydrophobicContact CB-CG 3.9Å; L443-Q448 HydrophobicContact CD1-CG 4.12Å; V445-Q448 PolarHBondContact O-N 3.43Å; V445-Q448 VanDerWaalsContact O-O 3.07Å; Q448-P450 VanDerWaalsContact O-CD 3.23Å; Q448-P450 WeakPolarHBondContact O-CD 3.17Å
449D83.8Confident73.9Confident95 Ų9564.8 Ų64.851%0.50836%0.357SS..  trans-73112.8162-171.3-8.2000108.1F451 R476D449-F451 PolarHBondContact O-N 3.13Å; D449-F451 WeakPolarHBondContact OD1-CB 3.26Å; D449-F451 VanDerWaalsContact OD1-CD2 3.25Å; D449-F451 WeakPolarHBondContact OD1-CD2 3.39Å; D449-F451 PolarHBondContact OD1-N 2.79Å; D449-R476 PolarHBondContact O-NE 3.43Å; D449-R476 PolarHBondContact O-NH2 2.82Å
450P78.8Confident71.2Confident18 Ų1865.2 Ų65.212%0.11736%0.357CS..  trans-70.5-18.1179.332.1-36.9000111.8L422 L433 V445 Q448L422-P450 HydrophobicContact CD2-CB 3.6Å; L422-P450 HydrophobicContact CD2-CG 3.73Å; L433-P450 HydrophobicContact CD1-CB 4.44Å; L433-P450 HydrophobicContact CD2-CB 3.68Å; V445-P450 HydrophobicContact CG1-CB 4.31Å; Q448-P450 VanDerWaalsContact O-CD 3.23Å; Q448-P450 WeakPolarHBondContact O-CD 3.17Å
451F83.1Confident68.5Low73 Ų7375 Ų7532%0.3240%0.402SS..SBendtrans-84.1132.8-179.1-52.4-63000110L422 V424 D449L422-F451 HydrophobicContact CD1-CE1 4.2Å; L422-F451 HydrophobicContact CD1-CZ 4.08Å; L422-F451 HydrophobicContact CD2-CD1 4.48Å; L422-F451 HydrophobicContact CD2-CE1 3.87Å; L422-F451 HydrophobicContact CD2-CZ 4.29Å; L422-F451 HydrophobicContact CG-CE1 4.07Å; L422-F451 HydrophobicContact CG-CZ 4.44Å; V424-F451 HydrophobicContact CB-CD1 4.29Å; V424-F451 HydrophobicContact CG1-CD1 4.07Å; V424-F451 HydrophobicContact CG1-CE1 4.2Å; D449-F451 PolarHBondContact O-N 3.13Å; D449-F451 WeakPolarHBondContact OD1-CB 3.26Å; D449-F451 VanDerWaalsContact OD1-CD2 3.25Å; D449-F451 WeakPolarHBondContact OD1-CD2 3.39Å; D449-F451 PolarHBondContact OD1-N 2.79Å
452L79.7Confident65.7Low29 Ų2976.8 Ų76.815%0.15242%0.424CS..  trans-75.7146.4163.4-69.5172.4000109.1Y454 R476 M508 G509 Y510L452-Y454 PolarHBondContact O-N 3.09Å; L452-R476 HydrophobicContact CD1-CB 4.32Å; L452-R476 HydrophobicContact CD2-CB 4.46Å; L452-R476 HydrophobicContact CD2-CG 4.13Å; L452-R476 VanDerWaalsContact CD2-NH1 3.32Å; L452-R476 HydrophobicContact CG-CB 4.29Å; L452-R476 HydrophobicContact CG-CG 4.13Å; L452-M508 VanDerWaalsContact CD1-O 3.24Å; L452-M508 WeakPolarHBondContact CD1-O 3.31Å; L452-G509 WeakPolarHBondContact CD1-O 3.35Å; L452-Y510 HydrophobicContact CB-CE2 4.4Å; L452-Y510 HydrophobicContact CD1-CD1 4.05Å; L452-Y510 HydrophobicContact CD1-CD2 3.88Å; L452-Y510 HydrophobicContact CD1-CE1 4.1Å; L452-Y510 HydrophobicContact CD1-CE2 3.94Å; L452-Y510 HydrophobicContact CD1-CG 3.93Å; L452-Y510 HydrophobicContact CG-CE1 4.21Å; L452-Y510 HydrophobicContact CG-CE2 4.39Å; L452-Y510 PolarHBondContact N-OH 3.2Å
453P67.2Low62.8Low109 Ų10984.3 Ų84.371%0.70846%0.459SS*.  trans-53.5111.7167.8-18.829.7000107.6
454Y62.2Low60Low78 Ų7885.8 Ų85.831%0.30648%0.477SS..PPolyproline II helixtrans-59.2132.3177.3-170.8-93.8000107.5T363 P425 P426 L452 M508T363-Y454 WeakPolarHBondContact CG2-OH 3.5Å; T363-Y454 PolarHBondContact OG1-OH 2.97Å; P425-Y454 HydrophobicContact CB-CD2 3.96Å; P426-Y454 HydrophobicContact CB-CE2 4.15Å; P426-Y454 HydrophobicContact CG-CE2 3.78Å; L452-Y454 PolarHBondContact O-N 3.09Å; Y454-M508 HydrophobicContact CD2-SD 3.82Å; Y454-M508 HydrophobicContact CE2-SD 3.64Å
455P55.7Low57.4Low37 Ų3788.4 Ų88.424%0.2450%0.502CS..PPolyproline II helixtrans-51.3131.6-165.913.2-26.3000110.7E366 L367 R457E366-P455 HydrophobicContact CG-CG 4.44Å; L367-P455 HydrophobicContact CD2-CG 3.56Å; P455-R457 PolarHBondContact O-N 2.87Å
456P49.5Very low54.8Low82 Ų8293.8 Ų93.853%0.53254%0.54SS..PPolyproline II helixtrans-68.4132.9-179.128.1-31.1000107.8S458 C459P456-S458 PolarHBondContact O-N 3.12Å; P456-C459 VanDerWaalsContact CG-SG 3.56Å
457R49.3Very low52.5Low103 Ų10389.1 Ų89.139%0.38954%0.539SS..THydrogen-bonded Turntrans-46.4105.9169.5-78.5-175.2176.2-177.3-6108.3E366 L377 P455 C459E366-R457 WeakPolarHBondContact OE1-CA 3.37Å; L377-R457 PolarHBondContact O-NH2 3.08Å; P455-R457 PolarHBondContact O-N 2.87Å; R457-C459 PolarHBondContact O-N 3.01Å
458S40.3Very low50.4Low98 Ų9888.9 Ų88.969%0.68555%0.547SS*.THydrogen-bonded Turntrans27.977.4172.8-44.20000113.1P456P456-S458 PolarHBondContact O-N 3.12Å
459C31.5Very low48.2Very low58 Ų5892.2 Ų92.239%0.39257%0.571SS.*  trans-58.9128.6158.2-67.90000106.6P456 R457 Q461 A464P456-C459 VanDerWaalsContact CG-SG 3.56Å; R457-C459 PolarHBondContact O-N 3.01Å; C459-Q461 PolarHBondContact O-N 3.14Å; C459-A464 HydrophobicContact CB-CB 3.79Å; C459-A464 WeakPolarHBondContact SG-CB 3.44Å
460P31.8Very low45.9Very low93 Ų9394.5 Ų94.560%0.60459%0.589SS**  trans-51.2132.9168.3-17.328.1000106.9G462 Q463P460-G462 PolarHBondContact O-N 3.3Å; P460-Q463 PolarHBondContact O-N 2.98Å
461Q32.3Very low44.5Very low210 Ų210104.4 Ų104.498%0.98162%0.624SS**THydrogen-bonded Turntrans-42104.4167-84.4166.2-35.700107.8C459C459-Q461 PolarHBondContact O-N 3.14Å
462G32.7Very low43.1Very low76 Ų76106 Ų10678%0.78464%0.636SS**THydrogen-bonded Turntrans132.4-8.4174.600000119.8P460P460-G462 PolarHBondContact O-N 3.3Å
463Q32.9Very low42.7Very low165 Ų165109.4 Ų109.477%0.77166%0.66SS**SBendtrans-130.89.5-171.4-78-176.39.100119.1P460P460-Q463 PolarHBondContact O-N 2.98Å
464A32.1Very low43.3Very low70 Ų70104.7 Ų104.758%0.57963%0.63SS**SBendtrans-113.817.1-175.400000116.7C459C459-A464 HydrophobicContact CB-CB 3.79Å; C459-A464 WeakPolarHBondContact SG-CB 3.44Å
465A33.4Very low44.6Very low98 Ų98105 Ų10581%0.8163%0.634SS**SBendtrans-103.53.9-178.700000115.3
466S31.6Very low46.3Very low115 Ų115104.7 Ų104.780%0.80463%0.628SS**SBendtrans-107.114.6-16748.80000116.8
467S32.4Very low48.5Very low111 Ų111100.8 Ų100.878%0.77660%0.603SS**  trans-135.340.2169.665.30000113.9T469S467-T469 PolarHBondContact O-N 3.48Å
468A34.9Very low50.7Low94 Ų9495.9 Ų95.978%0.77758%0.584SS**  trans-82.1101.3164.700000109T470A468-T470 PolarHBondContact O-N 3.41Å
469T37.3Very low53.4Low124 Ų12491.2 Ų91.276%0.76155%0.552SS**  trans-57.2104.5163.412.30000108.6S467 R471S467-T469 PolarHBondContact O-N 3.48Å; T469-R471 PolarHBondContact O-N 3.37Å
470T35.8Very low56.4Low143 Ų14388.6 Ų88.688%0.87753%0.534SS*.SBendtrans17.534.9142.316.30000120.7A468A468-T470 PolarHBondContact O-N 3.41Å
471R49.4Very low59.3Low226 Ų22684.3 Ų84.385%0.85351%0.506SS*.SBendtrans-133.7122.6169.2-79.2-174.6-177.6163.22.7109T469 P473T469-R471 PolarHBondContact O-N 3.37Å; R471-P473 VanDerWaalsContact O-N 3.14Å
472D54.1Low62.2Low107 Ų10777.5 Ų77.557%0.57247%0.471SS*.  trans-45.3114.7172.4-155.7-22.5000110.6S438 A474S438-D472 WeakPolarHBondContact CB-OD1 3.35Å; S438-D472 WeakPolarHBondContact CB-OD2 3.21Å; S438-D472 PolarHBondContact OG-OD1 3.37Å; S438-D472 PolarHBondContact OG-OD2 3.25Å; D472-A474 PolarHBondContact O-N 3.21Å; D472-A474 VanDerWaalsContact O-N 3.1Å
473P70.5Confident64.8Low100 Ų10074 Ų7465%0.64944%0.435SS*.PPolyproline II helixtrans-67.5116.2-167.524.9-33000110.2R471 Q475R471-P473 VanDerWaalsContact O-N 3.14Å; P473-Q475 PolarHBondContact O-N 2.86Å
474A80.4Confident67.5Low11 Ų1173.3 Ų73.39%0.09143%0.425CS..PPolyproline II helixtrans-57.1131176.900000110.9A436 L443 D472 R476A436-A474 CarbonylContact O-C 3.54Å; A436-A474 WeakPolarHBondContact O-CA 3.48Å; A436-A474 WeakPolarHBondContact O-CB 3.2Å; L443-A474 HydrophobicContact CD1-CB 4.11Å; D472-A474 PolarHBondContact O-N 3.21Å; D472-A474 VanDerWaalsContact O-N 3.1Å; A474-R476 WeakPolarHBondContact O-CD 3.49Å; A474-R476 PolarHBondContact O-NE 3.35Å; A474-R476 PolarHBondContact O-NH1 3.05Å
475Q88.7Confident70.1Confident83 Ų8370.9 Ų70.939%0.38840%0.401SS..EExtended strand (participates in β ladder)trans-71.9141.2172.3-63.9-179.3-13.900109.9C435 A436 P473C435-Q475 CarbonylContact C-O 3.55Å; C435-Q475 WeakPolarHBondContact CA-O 3.45Å; A436-Q475 HydrophobicContact CB-CB 4.47Å; A436-Q475 PolarHBondContact N-O 3.37Å; A436-Q475 PolarHBondContact O-N 3.39Å; P473-Q475 PolarHBondContact O-N 2.86Å
476R92.3Very high72.7Confident31 Ų3166.7 Ų66.712%0.11736%0.364CS..EExtended strand (participates in β ladder)trans-109.9106.6178.3-79.255.9169.6-134.7-8.2108.5L434 D449 L452 A474 Y510 Q511L434-R476 CarbonylContact O-C 3.58Å; L434-R476 WeakPolarHBondContact O-CA 3.35Å; D449-R476 PolarHBondContact O-NE 3.43Å; D449-R476 PolarHBondContact O-NH2 2.82Å; L452-R476 HydrophobicContact CD1-CB 4.32Å; L452-R476 HydrophobicContact CD2-CB 4.46Å; L452-R476 HydrophobicContact CD2-CG 4.13Å; L452-R476 VanDerWaalsContact CD2-NH1 3.32Å; L452-R476 HydrophobicContact CG-CB 4.29Å; L452-R476 HydrophobicContact CG-CG 4.13Å; A474-R476 WeakPolarHBondContact O-CD 3.49Å; A474-R476 PolarHBondContact O-NE 3.35Å; A474-R476 PolarHBondContact O-NH1 3.05Å; R476-Y510 HydrophobicContact CB-CD1 3.65Å; R476-Y510 HydrophobicContact CB-CE1 3.89Å; R476-Y510 HydrophobicContact CG-CE1 4.3Å; R476-Y510 WeakPolarHBondContact O-CA 3.4Å; R476-Q511 PolarHBondContact O-N 2.71Å
477V94.4Very high75.5Confident0 Ų061.9 Ų61.90%033%0.329CS..EExtended strand (participates in β ladder)trans-98.4125.1-177.7-173.90000109L433 L434 L479 Q511 L513 L540 L542L433-V477 CarbonylContact C-O 3.48Å; L433-V477 WeakPolarHBondContact CA-O 3.45Å; L434-V477 HydrophobicContact CB-CB 4.43Å; L434-V477 PolarHBondContact N-O 3.44Å; L434-V477 PolarHBondContact O-N 2.87Å; V477-L479 HydrophobicContact CG1-CD1 4.1Å; V477-Q511 CarbonylContact C-O 3.45Å; V477-Q511 VanDerWaalsContact CA-O 3.31Å; V477-Q511 WeakPolarHBondContact CA-O 3.31Å; V477-Q511 HydrophobicContact CG2-CB 4.35Å; V477-L513 HydrophobicContact CG1-CB 4.37Å; V477-L540 HydrophobicContact CG1-CD1 3.86Å; V477-L542 HydrophobicContact CG1-CD1 4.45Å; V477-L542 HydrophobicContact CG2-CD1 4.27Å; V477-L542 HydrophobicContact CG2-CD2 4.4Å
478V94.9Very high78.1Confident0 Ų056.7 Ų56.70%029%0.292CS..EExtended strand (participates in β ladder)trans-110.2114.6176.4178.90000109.1T430 F432 L433 V480 Y510 Q511 L512 L513T430-V478 HydrophobicContact CG2-CG1 3.98Å; T430-V478 HydrophobicContact CG2-CG2 3.92Å; F432-V478 CarbonylContact O-C 3.56Å; F432-V478 VanDerWaalsContact O-CA 3.29Å; F432-V478 WeakPolarHBondContact O-CA 3.29Å; L433-V478 HydrophobicContact CD1-CG2 4.26Å; L433-V478 HydrophobicContact CG-CG2 4.47Å; V478-V480 HydrophobicContact CG1-CG2 3.88Å; V478-V480 PolarHBondContact O-N 2.84Å; V478-Y510 HydrophobicContact CG2-CD1 3.63Å; V478-Y510 HydrophobicContact CG2-CE1 4.49Å; V478-Y510 HydrophobicContact CG2-CG 4.07Å; V478-Q511 PolarHBondContact N-O 3.42Å; V478-L512 HydrophobicContact CB-CD2 3.87Å; V478-L512 HydrophobicContact CG1-CD2 4.4Å; V478-L512 WeakPolarHBondContact O-CA 3.43Å; V478-L513 PolarHBondContact O-N 3.14Å
479L97.1Very high80.6Confident0 Ų057 Ų570%027%0.273CS..EExtended strand (participates in β ladder)trans-76.3118.6167.9-77.455.3000107.1L409 D431 F432 L434 V477 L513 L515 L537L409-L479 HydrophobicContact CD1-CD2 3.88Å; L409-L479 HydrophobicContact CD2-CD2 3.83Å; L409-L479 HydrophobicContact CG-CD2 4.41Å; D431-L479 WeakPolarHBondContact CB-O 3.35Å; F432-L479 HydrophobicContact CB-CB 4.18Å; F432-L479 HydrophobicContact CD2-CB 4.33Å; F432-L479 PolarHBondContact N-O 3.48Å; F432-L479 PolarHBondContact O-N 3.33Å; L434-L479 HydrophobicContact CD1-CD1 3.22Å; L434-L479 HydrophobicContact CD1-CD2 4.45Å; L434-L479 HydrophobicContact CD1-CG 4.41Å; V477-L479 HydrophobicContact CG1-CD1 4.1Å; L479-L513 CarbonylContact C-O 3.59Å; L479-L513 WeakPolarHBondContact CA-O 3.32Å; L479-L513 HydrophobicContact CD1-CB 4.1Å; L479-L513 HydrophobicContact CD1-CD2 3.89Å; L479-L513 HydrophobicContact CG-CB 4.18Å; L479-L513 HydrophobicContact CG-CD2 3.86Å; L479-L513 HydrophobicContact CG-CG 4.3Å; L479-L515 HydrophobicContact CB-CD1 4.17Å; L479-L515 HydrophobicContact CD2-CD1 4.18Å; L479-L515 HydrophobicContact CG-CD1 4.35Å; L479-L537 HydrophobicContact CD1-CD2 4.17Å; L479-L537 HydrophobicContact CD2-CD2 4.46Å
480V94.5Very high82.7Confident3 Ų355 Ų552%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-104.5111.3-177-178.70000108.5D431 V478 R482 E502 L512 L513 P514 L515D431-V480 WeakPolarHBondContact OD2-CA 3.22Å; V478-V480 HydrophobicContact CG1-CG2 3.88Å; V478-V480 PolarHBondContact O-N 2.84Å; V480-R482 HydrophobicContact CG1-CG 4.42Å; V480-R482 PolarHBondContact O-N 3.25Å; V480-E502 HydrophobicContact CG1-CG 4.11Å; V480-E502 WeakPolarHBondContact CG1-OE1 3.25Å; V480-L512 HydrophobicContact CG2-CB 4.3Å; V480-L512 HydrophobicContact CG2-CD2 4.04Å; V480-L513 PolarHBondContact N-O 3.48Å; V480-P514 WeakPolarHBondContact O-CA 3.45Å; V480-L515 PolarHBondContact O-N 3.5Å
481L93.5Very high84.9Confident3 Ų348.9 Ų48.92%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-73.2115.8173.7-68.2172.4000108.7K402 V405 D431 F432 E483 H486 L515 L520K402-L481 HydrophobicContact CB-CD1 3.63Å; K402-L481 HydrophobicContact CD-CD1 4.45Å; K402-L481 HydrophobicContact CG-CD1 3.85Å; V405-L481 HydrophobicContact CB-CD2 4.36Å; V405-L481 HydrophobicContact CG1-CD2 4.38Å; V405-L481 HydrophobicContact CG2-CD2 3.99Å; D431-L481 HydrophobicContact CB-CB 4.43Å; D431-L481 HydrophobicContact CB-CD1 4.17Å; D431-L481 HydrophobicContact CB-CG 4.12Å; D431-L481 PolarHBondContact OD2-N 3.43Å; F432-L481 HydrophobicContact CE2-CD1 3.93Å; F432-L481 HydrophobicContact CE2-CG 4.25Å; L481-E483 HydrophobicContact CB-CG 4.38Å; L481-E483 PolarHBondContact O-N 3.35Å; L481-H486 PolarHBondContact O-CE1 3.32Å; L481-H486 VanDerWaalsContact O-CE1 3.22Å; L481-H486 PolarHBondContact O-ND1 2.9Å; L481-H486 VanDerWaalsContact O-ND1 3.11Å; L481-L515 HydrophobicContact CD2-CB 4.2Å; L481-L515 HydrophobicContact CD2-CD1 4.03Å; L481-L520 HydrophobicContact CD2-CD1 3.85Å
482R92.3Very high86.7Confident68 Ų6848.1 Ų48.126%0.25722%0.22SC..EExtended strand (participates in β ladder)trans-99.781.4175.6-76.3-174.6177.8171.41.2108.9V480 F487 L494 E502 P514 L515 F517V480-R482 HydrophobicContact CG1-CG 4.42Å; V480-R482 PolarHBondContact O-N 3.25Å; R482-F487 HydrophobicContact CB-CE2 3.87Å; R482-F487 HydrophobicContact CB-CZ 3.9Å; R482-F487 HydrophobicContact CG-CZ 4.41Å; R482-L494 HydrophobicContact CG-CD2 4.38Å; R482-E502 IonicContact CZ-OE1 3.86Å; R482-E502 IonicContact CZ-OE2 3.7Å; R482-E502 IonicContact NE-OE1 3.55Å; R482-E502 PolarHBondContact NE-OE1 3.45Å; R482-E502 IonicContact NE-OE2 3.44Å; R482-E502 PolarHBondContact NE-OE2 2.91Å; R482-E502 IonicContact NH2-OE1 3.53Å; R482-E502 IonicContact NH2-OE2 2.69Å; R482-E502 PolarHBondContact NH2-OE2 2.86Å; R482-P514 HydrophobicContact CG-CB 4.5Å; R482-L515 PolarHBondContact N-O 3.05Å; R482-F517 WeakPolarHBondContact O-CB 3.3Å; R482-F517 PolarHBondContact O-N 2.94Å
483E89.3Confident88.4Confident3 Ų344.6 Ų44.61%0.01420%0.203CC..  trans-72.7153.3-177.4-60.5-74.9-165.300111.3S400 H401 L481 W485 H486 F487S400-E483 VanDerWaalsContact CA-OE1 3.22Å; S400-E483 WeakPolarHBondContact CA-OE1 3.32Å; S400-E483 WeakPolarHBondContact CB-OE1 3.49Å; S400-E483 PolarHBondContact OG-OE1 3.41Å; H401-E483 IonicContact CE1-OE2 3.19Å; H401-E483 IonicContact CG-OE2 3.06Å; H401-E483 PolarHBondContact N-OE1 3.07Å; H401-E483 IonicContact ND1-OE1 2.78Å; H401-E483 IonicContact ND1-OE2 2.58Å; H401-E483 PolarHBondContact ND1-OE2 3.08Å; L481-E483 HydrophobicContact CB-CG 4.38Å; L481-E483 PolarHBondContact O-N 3.35Å; E483-W485 HydrophobicContact CB-CD2 3.68Å; E483-W485 HydrophobicContact CB-CE3 3.75Å; E483-W485 HydrophobicContact CB-CG 4.43Å; E483-W485 HydrophobicContact CB-CH2 3.73Å; E483-W485 HydrophobicContact CB-CZ2 3.65Å; E483-W485 HydrophobicContact CB-CZ3 3.77Å; E483-W485 HydrophobicContact CG-CH2 3.66Å; E483-W485 HydrophobicContact CG-CZ2 3.56Å; E483-W485 HydrophobicContact CG-CZ3 4.18Å; E483-W485 PolarHBondContact O-N 2.8Å; E483-H486 PolarHBondContact N-ND1 2.79Å; E483-H486 VanDerWaalsContact O-CB 3.25Å; E483-H486 WeakPolarHBondContact O-CB 3.43Å; E483-H486 PolarHBondContact O-N 2.79Å; E483-F487 VanDerWaalsContact O-CD2 3.31Å; E483-F487 WeakPolarHBondContact O-CD2 3.21Å
484R89.1Confident89.4Confident149 Ų14940.9 Ų40.956%0.56218%0.177SC*.G310 helixtrans-51.7-29.3-179.4-172.5170.6-177.8157.73.6114.1F517R484-F517 HydrophobicContact CB-CD1 3.99Å; R484-F517 HydrophobicContact CB-CD2 3.84Å; R484-F517 HydrophobicContact CB-CE1 4.09Å; R484-F517 HydrophobicContact CB-CE2 3.97Å; R484-F517 HydrophobicContact CB-CG 3.85Å; R484-F517 HydrophobicContact CB-CZ 4.1Å; R484-F517 HydrophobicContact CG-CD2 4.31Å; R484-F517 HydrophobicContact CG-CE1 4.2Å; R484-F517 HydrophobicContact CG-CE2 3.92Å; R484-F517 HydrophobicContact CG-CZ 3.86Å
485W85.3Confident89.9Confident20 Ų2040.9 Ų40.98%0.07618%0.176CC..G310 helixtrans-86.4-3.5179.366.286.3000115.5R251 D393 R396 E483R251-W485 VanDerWaalsContact NH1-C 3.32Å; R251-W485 VanDerWaalsContact NH1-CB 3.3Å; R251-W485 PolarHBondContact NH1-O 3.47Å; D393-W485 PolarHBondContact OD1-NE1 3.42Å; R396-W485 HydrophobicContact CB-CD2 3.9Å; R396-W485 HydrophobicContact CB-CE3 4.2Å; R396-W485 HydrophobicContact CB-CG 4.44Å; R396-W485 HydrophobicContact CB-CH2 4.06Å; R396-W485 HydrophobicContact CB-CZ2 3.79Å; R396-W485 HydrophobicContact CB-CZ3 4.28Å; R396-W485 VanDerWaalsContact CD-CB 3.49Å; R396-W485 VanDerWaalsContact CD-CD2 3.49Å; R396-W485 HydrophobicContact CG-CD2 4.35Å; R396-W485 HydrophobicContact CG-CG 4.46Å; R396-W485 WeakPolarHBondContact O-CH2 3.21Å; E483-W485 HydrophobicContact CB-CD2 3.68Å; E483-W485 HydrophobicContact CB-CE3 3.75Å; E483-W485 HydrophobicContact CB-CG 4.43Å; E483-W485 HydrophobicContact CB-CH2 3.73Å; E483-W485 HydrophobicContact CB-CZ2 3.65Å; E483-W485 HydrophobicContact CB-CZ3 3.77Å; E483-W485 HydrophobicContact CG-CH2 3.66Å; E483-W485 HydrophobicContact CG-CZ2 3.56Å; E483-W485 HydrophobicContact CG-CZ3 4.18Å; E483-W485 PolarHBondContact O-N 2.8Å
486H88.5Confident89.9Confident9 Ų936.9 Ų36.94%0.04216%0.157CC..G310 helixtrans-79.7-10.9171-61.9164.6000112.5D393 L481 E483 L494 L495 R498D393-H486 IonicContact OD1-CD2 3.27Å; D393-H486 IonicContact OD1-NE2 2.78Å; D393-H486 PolarHBondContact OD1-NE2 3.02Å; L481-H486 PolarHBondContact O-CE1 3.32Å; L481-H486 VanDerWaalsContact O-CE1 3.22Å; L481-H486 PolarHBondContact O-ND1 2.9Å; L481-H486 VanDerWaalsContact O-ND1 3.11Å; E483-H486 PolarHBondContact N-ND1 2.79Å; E483-H486 VanDerWaalsContact O-CB 3.25Å; E483-H486 WeakPolarHBondContact O-CB 3.43Å; E483-H486 PolarHBondContact O-N 2.79Å; H486-L494 HydrophobicContact CB-CD2 4.08Å; H486-L495 VanDerWaalsContact O-CG 3.32Å; H486-L495 WeakPolarHBondContact O-CG 3.32Å; H486-L495 PolarHBondContact O-N 2.85Å; H486-R498 HydrophobicContact CB-CG 3.95Å; H486-R498 PolarHBondContact CD2-NE 3.4Å; H486-R498 PolarHBondContact CD2-NH2 3.35Å; H486-R498 VanDerWaalsContact NE2-CZ 3.29Å; H486-R498 PolarHBondContact NE2-NH2 3.32Å
487F90.2Very high89.7Confident15 Ų1536.5 Ų36.57%0.06616%0.159CC..BIsolated β-bridgetrans-102.4164.5-179.8-62.3-95.1000113R482 E483 G491 V493 L494 F517R482-F487 HydrophobicContact CB-CE2 3.87Å; R482-F487 HydrophobicContact CB-CZ 3.9Å; R482-F487 HydrophobicContact CG-CZ 4.41Å; E483-F487 VanDerWaalsContact O-CD2 3.31Å; E483-F487 WeakPolarHBondContact O-CD2 3.21Å; F487-G491 WeakPolarHBondContact CD1-O 3.37Å; F487-G491 WeakPolarHBondContact CG-O 3.46Å; F487-V493 CarbonylContact C-O 3.43Å; F487-V493 VanDerWaalsContact CA-O 3.27Å; F487-V493 WeakPolarHBondContact CA-O 3.47Å; F487-L494 HydrophobicContact CD1-CD2 3.96Å; F487-L494 HydrophobicContact CD1-CG 4.17Å; F487-L494 HydrophobicContact CD2-CD2 4.29Å; F487-L494 HydrophobicContact CE1-CD2 3.63Å; F487-L494 HydrophobicContact CE1-CG 3.79Å; F487-L494 HydrophobicContact CE2-CD2 3.98Å; F487-L494 HydrophobicContact CG-CD2 4.29Å; F487-L494 HydrophobicContact CZ-CD2 3.64Å; F487-L494 HydrophobicContact CZ-CG 4.23Å; F487-F517 HydrophobicContact CD2-CD1 4.29Å; F487-F517 HydrophobicContact CD2-CE1 4.18Å; F487-F517 HydrophobicContact CE2-CD1 4.05Å; F487-F517 HydrophobicContact CE2-CE1 4.23Å
488C88.4Confident89.4Confident1 Ų137.2 Ų37.21%0.00716%0.162CC..  trans-56161.5158.1-64.30000110.1R253 D490 G491 V493R253-C488 HydrophobicContact CB-CB 4.05Å; C488-D490 VanDerWaalsContact CB-OD1 3.28Å; C488-D490 WeakPolarHBondContact CB-OD1 3.3Å; C488-D490 PolarHBondContact O-N 3.1Å; C488-D490 VanDerWaalsContact O-N 3.13Å; C488-G491 PolarHBondContact O-N 3.47Å; C488-V493 HydrophobicContact CB-CB 4.47Å; C488-V493 PolarHBondContact N-O 2.91Å; C488-V493 PolarHBondContact SG-O 3.44Å
489R85.8Confident89.3Confident100 Ų10038 Ų3838%0.37717%0.168SC..THydrogen-bonded Turntrans-59.8-28.8-171.9-172.7179.9-178-166.44.8113.2R251 L252 G491R251-R489 WeakPolarHBondContact O-CB 3.33Å; R251-R489 PolarHBondContact O-N 3.19Å; L252-R489 HydrophobicContact CD2-CB 4.24Å; L252-R489 VanDerWaalsContact CD2-CD 3.43Å; L252-R489 HydrophobicContact CD2-CG 4.48Å; R489-G491 PolarHBondContact O-N 2.89Å
490D82.2Confident89Confident84 Ų8438.2 Ų38.245%0.44917%0.169SC..THydrogen-bonded Turntrans-69.6-1117565.9-9.4000113.9C488 R492C488-D490 VanDerWaalsContact CB-OD1 3.28Å; C488-D490 WeakPolarHBondContact CB-OD1 3.3Å; C488-D490 PolarHBondContact O-N 3.1Å; C488-D490 VanDerWaalsContact O-N 3.13Å; D490-R492 VanDerWaalsContact C-N 3.29Å; D490-R492 PolarHBondContact O-N 3.01Å; D490-R492 PolarHBondContact OD1-N 3.37Å; D490-R492 VanDerWaalsContact OD1-N 3.1Å
491G82.5Confident88.8Confident13 Ų1339 Ų3913%0.13417%0.172CC..SBendtrans80.6-1.4-179.900000114.7F487 C488 R489F487-G491 WeakPolarHBondContact CD1-O 3.37Å; F487-G491 WeakPolarHBondContact CG-O 3.46Å; C488-G491 PolarHBondContact O-N 3.47Å; R489-G491 PolarHBondContact O-N 2.89Å
492R85.9Confident88.7Confident210 Ų21040 Ų4079%0.79218%0.177SC*.SBendtrans-96.1-39.5-166.8-61.2-178.3-178.6-162.2-0.1113.8D490D490-R492 VanDerWaalsContact C-N 3.29Å; D490-R492 PolarHBondContact O-N 3.01Å; D490-R492 PolarHBondContact OD1-N 3.37Å; D490-R492 VanDerWaalsContact OD1-N 3.1Å
493V90.5Very high88.7Confident34 Ų3438 Ų3821%0.20617%0.169CC..SBendtrans-110122.7-171.9-179.60000110.5N288 F487 C488N288-V493 HydrophobicContact CB-CG1 4.09Å; F487-V493 CarbonylContact C-O 3.43Å; F487-V493 VanDerWaalsContact CA-O 3.27Å; F487-V493 WeakPolarHBondContact CA-O 3.47Å; C488-V493 HydrophobicContact CB-CB 4.47Å; C488-V493 PolarHBondContact N-O 2.91Å; C488-V493 PolarHBondContact SG-O 3.44Å
494L90.8Very high88.7Confident21 Ų2137.8 Ų37.811%0.1117%0.168CC..BIsolated β-bridgetrans-59137.8171.6-75.4172.9000110.7N288 R482 H486 F487 R498 A499N288-L494 VanDerWaalsContact CB-O 3.27Å; N288-L494 WeakPolarHBondContact CB-O 3.39Å; R482-L494 HydrophobicContact CG-CD2 4.38Å; H486-L494 HydrophobicContact CB-CD2 4.08Å; F487-L494 HydrophobicContact CD1-CD2 3.96Å; F487-L494 HydrophobicContact CD1-CG 4.17Å; F487-L494 HydrophobicContact CD2-CD2 4.29Å; F487-L494 HydrophobicContact CE1-CD2 3.63Å; F487-L494 HydrophobicContact CE1-CG 3.79Å; F487-L494 HydrophobicContact CE2-CD2 3.98Å; F487-L494 HydrophobicContact CG-CD2 4.29Å; F487-L494 HydrophobicContact CZ-CD2 3.64Å; F487-L494 HydrophobicContact CZ-CG 4.23Å; L494-R498 HydrophobicContact CB-CB 4.47Å; L494-R498 HydrophobicContact CD2-CB 4.31Å; L494-A499 HydrophobicContact CB-CB 4.45Å
495L91.2Very high88.8Confident11 Ų1130.7 Ų30.76%0.05814%0.141CC..  trans-60.4147.5172.4-62.8171.9000110.4R251 R286 L287 H486 S497 R498 A499R251-L495 HydrophobicContact CB-CD2 4.17Å; R251-L495 HydrophobicContact CG-CD1 4.41Å; R251-L495 HydrophobicContact CG-CD2 3.94Å; R286-L495 WeakPolarHBondContact O-CA 3.36Å; R286-L495 WeakPolarHBondContact O-CB 3.36Å; R286-L495 WeakPolarHBondContact O-CD2 3.32Å; L287-L495 HydrophobicContact CD2-CD2 4.47Å; H486-L495 VanDerWaalsContact O-CG 3.32Å; H486-L495 WeakPolarHBondContact O-CG 3.32Å; H486-L495 PolarHBondContact O-N 2.85Å; L495-S497 PolarHBondContact O-N 2.97Å; L495-S497 VanDerWaalsContact O-N 3.11Å; L495-R498 WeakPolarHBondContact O-CA 3.33Å; L495-R498 WeakPolarHBondContact O-CB 3.36Å; L495-R498 PolarHBondContact O-N 3.48Å; L495-A499 PolarHBondContact O-N 2.84Å
496G90.2Very high89.1Confident0 Ų031.6 Ų31.60%016%0.156CC..Hα-helixtrans-57.2-34.9-17200000114.2G285 R286 R498 A499 L500G285-G496 VanDerWaalsContact O-CA 3.29Å; G285-G496 WeakPolarHBondContact O-CA 2.94Å; R286-G496 PolarHBondContact O-N 2.94Å; G496-R498 VanDerWaalsContact C-N 3.32Å; G496-R498 PolarHBondContact O-N 3.23Å; G496-A499 PolarHBondContact O-N 2.89Å; G496-L500 WeakPolarHBondContact O-CB 3.29Å; G496-L500 PolarHBondContact O-N 2.85Å
497S87Confident89.2Confident23 Ų2335.4 Ų35.416%0.16118%0.177CC..Hα-helixtrans-66.3-31.6175.462.80000113.5L495 R501L495-S497 PolarHBondContact O-N 2.97Å; L495-S497 VanDerWaalsContact O-N 3.11Å; S497-R501 PolarHBondContact O-N 3.31Å
498R89Confident89.2Confident15 Ų1535.5 Ų35.56%0.05718%0.177CC..Hα-helixtrans-77.7-45.5176.3-63.9-71.2172.1-176.6-2.7110.5D393 H486 L494 L495 G496 L500 R501 E502D393-R498 IonicContact OD1-CZ 2.8Å; D393-R498 IonicContact OD1-NH1 3Å; D393-R498 IonicContact OD1-NH2 2.61Å; D393-R498 PolarHBondContact OD1-NH2 2.91Å; D393-R498 IonicContact OD2-CZ 3.41Å; D393-R498 VanDerWaalsContact OD2-CZ 3.27Å; D393-R498 IonicContact OD2-NH1 3.68Å; D393-R498 PolarHBondContact OD2-NH1 3.19Å; D393-R498 IonicContact OD2-NH2 3.15Å; D393-R498 PolarHBondContact OD2-NH2 3.18Å; H486-R498 HydrophobicContact CB-CG 3.95Å; H486-R498 PolarHBondContact CD2-NE 3.4Å; H486-R498 PolarHBondContact CD2-NH2 3.35Å; H486-R498 VanDerWaalsContact NE2-CZ 3.29Å; H486-R498 PolarHBondContact NE2-NH2 3.32Å; L494-R498 HydrophobicContact CB-CB 4.47Å; L494-R498 HydrophobicContact CD2-CB 4.31Å; L495-R498 WeakPolarHBondContact O-CA 3.33Å; L495-R498 WeakPolarHBondContact O-CB 3.36Å; L495-R498 PolarHBondContact O-N 3.48Å; G496-R498 VanDerWaalsContact C-N 3.32Å; G496-R498 PolarHBondContact O-N 3.23Å; R498-L500 VanDerWaalsContact C-N 3.26Å; R498-L500 PolarHBondContact O-N 2.93Å; R498-R501 PolarHBondContact O-N 2.96Å; R498-E502 PolarHBondContact O-N 2.8Å
499A91.8Very high89.2Confident16 Ų1637.9 Ų37.913%0.13220%0.202CC..Hα-helixtrans-59.1-37.8174.200000112.2L494 L495 G496 R503L494-A499 HydrophobicContact CB-CB 4.45Å; L495-A499 PolarHBondContact O-N 2.84Å; G496-A499 PolarHBondContact O-N 2.89Å; A499-R503 WeakPolarHBondContact O-CB 3.33Å; A499-R503 PolarHBondContact O-N 2.89Å; A499-R503 PolarHBondContact O-NH1 3.43Å
500L91.2Very high89.5Confident4 Ų433.5 Ų33.52%0.02119%0.186CC..Hα-helixtrans-63.6-50.2172.7179.768.7000111.8Q324 L360 G496 R498 R503 H504Q324-L500 HydrophobicContact CG-CB 4.48Å; Q324-L500 HydrophobicContact CG-CD2 4.14Å; L360-L500 HydrophobicContact CD1-CD2 4.2Å; L360-L500 HydrophobicContact CD2-CD2 4.09Å; L360-L500 HydrophobicContact CG-CD2 4.44Å; G496-L500 WeakPolarHBondContact O-CB 3.29Å; G496-L500 PolarHBondContact O-N 2.85Å; R498-L500 VanDerWaalsContact C-N 3.26Å; R498-L500 PolarHBondContact O-N 2.93Å; L500-R503 PolarHBondContact O-N 3.07Å; L500-H504 VanDerWaalsContact CD1-NE2 3.25Å; L500-H504 WeakPolarHBondContact CD1-NE2 3.48Å; L500-H504 WeakPolarHBondContact O-CB 3.5Å; L500-H504 PolarHBondContact O-N 3.44Å
501R89.7Confident90Very high21 Ų2132.9 Ų32.98%0.07918%0.18CC..Hα-helixtrans-57.2-54177.6170.6-176.8134.1175.5-13.3111.3Y428 C429 D431 S497 R498 R503 H504 L505Y428-R501 HydrophobicContact CD1-CB 3.85Å; Y428-R501 HydrophobicContact CD1-CG 3.6Å; Y428-R501 HydrophobicContact CE1-CB 3.84Å; Y428-R501 HydrophobicContact CE1-CG 4.12Å; Y428-R501 HydrophobicContact CG-CG 4.18Å; C429-R501 PolarHBondContact O-NE 2.87Å; C429-R501 PolarHBondContact O-NH1 2.82Å; D431-R501 IonicContact OD1-NH1 2.7Å; D431-R501 IonicContact OD1-NH2 2.7Å; D431-R501 IonicContact OD2-CZ 2.73Å; D431-R501 IonicContact OD2-NH2 3.18Å; D431-R501 PolarHBondContact OD2-NH2 2.71Å; S497-R501 PolarHBondContact O-N 3.31Å; R498-R501 PolarHBondContact O-N 2.96Å; R501-R503 VanDerWaalsContact C-N 3.31Å; R501-R503 PolarHBondContact O-N 2.88Å; R501-H504 PolarHBondContact O-N 3.43Å; R501-L505 HydrophobicContact CG-CD1 3.87Å; R501-L505 HydrophobicContact CG-CG 4.42Å; R501-L505 WeakPolarHBondContact O-CG 3.47Å; R501-L505 PolarHBondContact O-N 3.45Å
502E91.4Very high90.6Very high23 Ų2334.5 Ų34.511%0.10719%0.186CC..Hα-helixtrans-58.4-46.9-178.5-72.3-172.1-166.400110.4V480 R482 R498 H504 L505 G506 L512V480-E502 HydrophobicContact CG1-CG 4.11Å; V480-E502 WeakPolarHBondContact CG1-OE1 3.25Å; R482-E502 IonicContact CZ-OE1 3.86Å; R482-E502 IonicContact CZ-OE2 3.7Å; R482-E502 IonicContact NE-OE1 3.55Å; R482-E502 PolarHBondContact NE-OE1 3.45Å; R482-E502 IonicContact NE-OE2 3.44Å; R482-E502 PolarHBondContact NE-OE2 2.91Å; R482-E502 IonicContact NH2-OE1 3.53Å; R482-E502 IonicContact NH2-OE2 2.69Å; R482-E502 PolarHBondContact NH2-OE2 2.86Å; R498-E502 PolarHBondContact O-N 2.8Å; E502-H504 PolarHBondContact O-N 3.34Å; E502-L505 PolarHBondContact O-N 3.48Å; E502-G506 PolarHBondContact O-N 3.12Å; E502-L512 HydrophobicContact CB-CD1 3.96Å; E502-L512 HydrophobicContact CG-CD1 4.47Å; E502-L512 WeakPolarHBondContact O-CD1 3.33Å
503R92.2Very high91.1Very high25 Ų2525.1 Ų25.19%0.09415%0.151CC..Hα-helixtrans-59.7-47.2178179.4171.969.4-127.321.3113.7C323 E368 A499 L500 R501 G506 L507C323-R503 PolarHBondContact O-NH2 3.45Å; C323-R503 VanDerWaalsContact O-NH2 3.07Å; E368-R503 IonicContact OE1-CZ 2.9Å; E368-R503 IonicContact OE1-NE 3.87Å; E368-R503 PolarHBondContact OE1-NE 2.96Å; E368-R503 IonicContact OE1-NH2 2.73Å; E368-R503 PolarHBondContact OE1-NH2 3.31Å; E368-R503 IonicContact OE2-NH2 2.71Å; A499-R503 WeakPolarHBondContact O-CB 3.33Å; A499-R503 PolarHBondContact O-N 2.89Å; A499-R503 PolarHBondContact O-NH1 3.43Å; L500-R503 PolarHBondContact O-N 3.07Å; R501-R503 VanDerWaalsContact C-N 3.31Å; R501-R503 PolarHBondContact O-N 2.88Å; R503-G506 PolarHBondContact O-N 3.27Å; R503-L507 HydrophobicContact CG-CD1 3.89Å; R503-L507 HydrophobicContact CG-CG 4.45Å; R503-L507 WeakPolarHBondContact O-CG 3.34Å; R503-L507 PolarHBondContact O-N 3.42Å
504H91.1Very high91.4Very high0 Ų025.5 Ų25.50%015%0.154CC..Hα-helixtrans-63.8-41178.9-78.6-161.8000111.8L367 E368 Y428 L500 R501 E502 G506 L507 M508L367-H504 HydrophobicContact CD1-CB 3.73Å; E368-H504 IonicContact OE1-CD2 3.7Å; E368-H504 PolarHBondContact OE1-CD2 3.46Å; E368-H504 VanDerWaalsContact OE1-CD2 3.27Å; E368-H504 IonicContact OE1-NE2 2.76Å; E368-H504 PolarHBondContact OE1-NE2 3.5Å; Y428-H504 HydrophobicContact CD2-CB 4.33Å; Y428-H504 HydrophobicContact CE2-CB 3.51Å; Y428-H504 AromaticContact CE2-CG 3.99Å; Y428-H504 AromaticContact CE2-ND1 3.63Å; Y428-H504 AromaticContact CZ-ND1 3.54Å; Y428-H504 PolarHBondContact OH-CE1 3.38Å; Y428-H504 PolarHBondContact OH-ND1 2.92Å; L500-H504 VanDerWaalsContact CD1-NE2 3.25Å; L500-H504 WeakPolarHBondContact CD1-NE2 3.48Å; L500-H504 WeakPolarHBondContact O-CB 3.5Å; L500-H504 PolarHBondContact O-N 3.44Å; R501-H504 PolarHBondContact O-N 3.43Å; E502-H504 PolarHBondContact O-N 3.34Å; H504-G506 VanDerWaalsContact C-N 3.32Å; H504-G506 PolarHBondContact O-N 3.16Å; H504-L507 PolarHBondContact O-N 2.73Å; H504-M508 VanDerWaalsContact O-CG 3.26Å; H504-M508 WeakPolarHBondContact O-CG 3.46Å; H504-M508 PolarHBondContact O-N 2.7Å
505L90.3Very high91.6Very high0 Ų024.5 Ų24.50%015%0.149CC..Hα-helixtrans-58.8-44.8173.3-70.2169.3000111.2V424 T430 R501 E502 M508 G509 Y510 L512V424-L505 HydrophobicContact CG2-CD2 3.6Å; T430-L505 HydrophobicContact CG2-CD2 4.33Å; R501-L505 HydrophobicContact CG-CD1 3.87Å; R501-L505 HydrophobicContact CG-CG 4.42Å; R501-L505 WeakPolarHBondContact O-CG 3.47Å; R501-L505 PolarHBondContact O-N 3.45Å; E502-L505 PolarHBondContact O-N 3.48Å; L505-M508 HydrophobicContact CD2-CE 3.67Å; L505-M508 HydrophobicContact CG-CE 4.37Å; L505-M508 PolarHBondContact O-N 3.44Å; L505-G509 PolarHBondContact O-N 2.7Å; L505-Y510 HydrophobicContact CB-CD2 4.41Å; L505-Y510 HydrophobicContact CD2-CD2 3.98Å; L505-Y510 HydrophobicContact CD2-CE2 4.29Å; L505-Y510 HydrophobicContact CD2-CG 4.45Å; L505-Y510 WeakPolarHBondContact O-CB 3.5Å; L505-Y510 WeakPolarHBondContact O-CD2 3.38Å; L505-Y510 PolarHBondContact O-N 3.23Å; L505-Y510 VanDerWaalsContact O-N 3.07Å; L505-L512 HydrophobicContact CB-CD1 4.43Å; L505-L512 HydrophobicContact CB-CD2 3.87Å; L505-L512 HydrophobicContact CD1-CD2 4.36Å
506G92.2Very high91.8Very high38 Ų3825 Ų2539%0.39215%0.153SC..Hα-helixtrans-60.8-46.1175.800000113.2E502 R503 H504 M508 G509E502-G506 PolarHBondContact O-N 3.12Å; R503-G506 PolarHBondContact O-N 3.27Å; H504-G506 VanDerWaalsContact C-N 3.32Å; H504-G506 PolarHBondContact O-N 3.16Å; G506-M508 VanDerWaalsContact C-N 3.26Å; G506-M508 PolarHBondContact O-N 2.76Å; G506-G509 PolarHBondContact O-N 3.03Å
507L90.6Very high91.8Very high90 Ų9025.5 Ų25.547%0.47116%0.155SC..Hα-helixtrans-64.9-28.1178.3-71.5168.1000113.1L367 E368 R503 H504 G509L367-L507 HydrophobicContact CB-CB 4.23Å; L367-L507 HydrophobicContact CB-CD1 4.01Å; L367-L507 HydrophobicContact CD2-CB 4.35Å; E368-L507 HydrophobicContact CG-CD1 3.87Å; R503-L507 HydrophobicContact CG-CD1 3.89Å; R503-L507 HydrophobicContact CG-CG 4.45Å; R503-L507 WeakPolarHBondContact O-CG 3.34Å; R503-L507 PolarHBondContact O-N 3.42Å; H504-L507 PolarHBondContact O-N 2.73Å; L507-G509 PolarHBondContact O-N 2.82Å
508M88.8Confident92Very high16 Ų1628.6 Ų28.68%0.07917%0.167CC..THydrogen-bonded Turntrans-76.9-5.4172.5-69.3-175.3-53.300113.4L367 V424 Y428 L452 Y454 H504 L505 G506 Y510L367-M508 HydrophobicContact CD1-CG 4.04Å; L367-M508 HydrophobicContact CD1-SD 4.5Å; L367-M508 HydrophobicContact CD2-CG 3.75Å; V424-M508 HydrophobicContact CG2-CE 4.34Å; Y428-M508 HydrophobicContact CD2-CE 4.17Å; L452-M508 VanDerWaalsContact CD1-O 3.24Å; L452-M508 WeakPolarHBondContact CD1-O 3.31Å; Y454-M508 HydrophobicContact CD2-SD 3.82Å; Y454-M508 HydrophobicContact CE2-SD 3.64Å; H504-M508 VanDerWaalsContact O-CG 3.26Å; H504-M508 WeakPolarHBondContact O-CG 3.46Å; H504-M508 PolarHBondContact O-N 2.7Å; L505-M508 HydrophobicContact CD2-CE 3.67Å; L505-M508 HydrophobicContact CG-CE 4.37Å; L505-M508 PolarHBondContact O-N 3.44Å; G506-M508 VanDerWaalsContact C-N 3.26Å; G506-M508 PolarHBondContact O-N 2.76Å; M508-Y510 HydrophobicContact CB-CD2 3.97Å; M508-Y510 HydrophobicContact CB-CE2 4.06Å; M508-Y510 HydrophobicContact CE-CD2 4.01Å; M508-Y510 HydrophobicContact CE-CE2 3.77Å
509G89.9Confident92.3Very high51 Ų5131.1 Ų31.153%0.52618%0.179SC..THydrogen-bonded Turntrans96.67.2178.100000115.2L452 L505 G506 L507L452-G509 WeakPolarHBondContact CD1-O 3.35Å; L505-G509 PolarHBondContact O-N 2.7Å; G506-G509 PolarHBondContact O-N 3.03Å; L507-G509 PolarHBondContact O-N 2.82Å
510Y91.8Very high92.3Very high9 Ų930.8 Ų30.84%0.03518%0.175CC..PPolyproline II helixtrans-73.7130.1172-65.9-86.7000110V424 L433 L452 R476 V478 L505 M508 L512V424-Y510 WeakPolarHBondContact CB-OH 3.27Å; V424-Y510 HydrophobicContact CG1-CE1 4.32Å; V424-Y510 WeakPolarHBondContact CG1-OH 3.35Å; V424-Y510 HydrophobicContact CG2-CE2 4.2Å; L433-Y510 HydrophobicContact CD1-CD1 4.26Å; L433-Y510 HydrophobicContact CD1-CE1 3.77Å; L452-Y510 HydrophobicContact CB-CE2 4.4Å; L452-Y510 HydrophobicContact CD1-CD1 4.05Å; L452-Y510 HydrophobicContact CD1-CD2 3.88Å; L452-Y510 HydrophobicContact CD1-CE1 4.1Å; L452-Y510 HydrophobicContact CD1-CE2 3.94Å; L452-Y510 HydrophobicContact CD1-CG 3.93Å; L452-Y510 HydrophobicContact CG-CE1 4.21Å; L452-Y510 HydrophobicContact CG-CE2 4.39Å; L452-Y510 PolarHBondContact N-OH 3.2Å; R476-Y510 HydrophobicContact CB-CD1 3.65Å; R476-Y510 HydrophobicContact CB-CE1 3.89Å; R476-Y510 HydrophobicContact CG-CE1 4.3Å; R476-Y510 WeakPolarHBondContact O-CA 3.4Å; V478-Y510 HydrophobicContact CG2-CD1 3.63Å; V478-Y510 HydrophobicContact CG2-CE1 4.49Å; V478-Y510 HydrophobicContact CG2-CG 4.07Å; L505-Y510 HydrophobicContact CB-CD2 4.41Å; L505-Y510 HydrophobicContact CD2-CD2 3.98Å; L505-Y510 HydrophobicContact CD2-CE2 4.29Å; L505-Y510 HydrophobicContact CD2-CG 4.45Å; L505-Y510 WeakPolarHBondContact O-CB 3.5Å; L505-Y510 WeakPolarHBondContact O-CD2 3.38Å; L505-Y510 PolarHBondContact O-N 3.23Å; L505-Y510 VanDerWaalsContact O-N 3.07Å; M508-Y510 HydrophobicContact CB-CD2 3.97Å; M508-Y510 HydrophobicContact CB-CE2 4.06Å; M508-Y510 HydrophobicContact CE-CD2 4.01Å; M508-Y510 HydrophobicContact CE-CE2 3.77Å; Y510-L512 PolarHBondContact O-N 3.15Å
511Q93.1Very high92.3Very high71 Ų7135.7 Ų35.733%0.33220%0.198SC..EExtended strand (participates in β ladder)trans-81.3116.5173.2-171.2178.320.600109.2R476 V477 V478R476-Q511 PolarHBondContact O-N 2.71Å; V477-Q511 CarbonylContact C-O 3.45Å; V477-Q511 VanDerWaalsContact CA-O 3.31Å; V477-Q511 WeakPolarHBondContact CA-O 3.31Å; V477-Q511 HydrophobicContact CG2-CB 4.35Å; V478-Q511 PolarHBondContact N-O 3.42Å
512L94.8Very high92.4Very high47 Ų4738.2 Ų38.225%0.24622%0.219CC..EExtended strand (participates in β ladder)trans-92.6127.8-175.2-54-175.1000111.4V478 V480 E502 L505 Y510 P514V478-L512 HydrophobicContact CB-CD2 3.87Å; V478-L512 HydrophobicContact CG1-CD2 4.4Å; V478-L512 WeakPolarHBondContact O-CA 3.43Å; V480-L512 HydrophobicContact CG2-CB 4.3Å; V480-L512 HydrophobicContact CG2-CD2 4.04Å; E502-L512 HydrophobicContact CB-CD1 3.96Å; E502-L512 HydrophobicContact CG-CD1 4.47Å; E502-L512 WeakPolarHBondContact O-CD1 3.33Å; L505-L512 HydrophobicContact CB-CD1 4.43Å; L505-L512 HydrophobicContact CB-CD2 3.87Å; L505-L512 HydrophobicContact CD1-CD2 4.36Å; Y510-L512 PolarHBondContact O-N 3.15Å; L512-P514 WeakPolarHBondContact O-CD 3.44Å
513L96.8Very high92.5Very high13 Ų1339.3 Ų39.37%0.06822%0.224CC..EExtended strand (participates in β ladder)trans-109.594.8170.5-175.754.2000109.3V477 V478 L479 V480 L515 K536 L537 L540V477-L513 HydrophobicContact CG1-CB 4.37Å; V478-L513 PolarHBondContact O-N 3.14Å; L479-L513 CarbonylContact C-O 3.59Å; L479-L513 WeakPolarHBondContact CA-O 3.32Å; L479-L513 HydrophobicContact CD1-CB 4.1Å; L479-L513 HydrophobicContact CD1-CD2 3.89Å; L479-L513 HydrophobicContact CG-CB 4.18Å; L479-L513 HydrophobicContact CG-CD2 3.86Å; L479-L513 HydrophobicContact CG-CG 4.3Å; V480-L513 PolarHBondContact N-O 3.48Å; L513-L515 HydrophobicContact CG-CD2 4.47Å; L513-K536 HydrophobicContact CD1-CB 4.32Å; L513-K536 HydrophobicContact CD1-CD 4.46Å; L513-K536 HydrophobicContact CD2-CB 4.09Å; L513-L537 HydrophobicContact CD2-CD2 3.86Å; L513-L537 HydrophobicContact CD2-CG 4.5Å; L513-L540 HydrophobicContact CB-CD1 3.87Å; L513-L540 HydrophobicContact CD1-CD1 3.82Å; L513-L540 HydrophobicContact CD1-CG 4.17Å; L513-L540 HydrophobicContact CD2-CD1 3.71Å; L513-L540 HydrophobicContact CG-CD1 3.98Å
514P95.8Very high92.2Very high42 Ų4248.9 Ų48.927%0.27326%0.26SS..EExtended strand (participates in β ladder)trans-70.2135.4179.328.8-33.7000111.2V480 R482 L512V480-P514 WeakPolarHBondContact O-CA 3.45Å; R482-P514 HydrophobicContact CG-CB 4.5Å; L512-P514 WeakPolarHBondContact O-CD 3.44Å
515L96Very high92.1Very high0 Ų050.4 Ų50.40%028%0.276CS..EExtended strand (participates in β ladder)trans-115.893172.2-58-178.5000108.2V405 L479 V480 L481 R482 L513 L520 Y532 L533 K536V405-L515 HydrophobicContact CG1-CD1 4.03Å; L479-L515 HydrophobicContact CB-CD1 4.17Å; L479-L515 HydrophobicContact CD2-CD1 4.18Å; L479-L515 HydrophobicContact CG-CD1 4.35Å; V480-L515 PolarHBondContact O-N 3.5Å; L481-L515 HydrophobicContact CD2-CB 4.2Å; L481-L515 HydrophobicContact CD2-CD1 4.03Å; R482-L515 PolarHBondContact N-O 3.05Å; L513-L515 HydrophobicContact CG-CD2 4.47Å; L515-L520 HydrophobicContact CB-CD1 4.12Å; L515-L520 HydrophobicContact CB-CD2 4.41Å; L515-L520 HydrophobicContact CB-CG 4.45Å; L515-Y532 HydrophobicContact CD2-CE1 4Å; L515-L533 HydrophobicContact CD1-CD2 3.94Å; L515-L533 HydrophobicContact CD2-CD2 4.33Å; L515-K536 HydrophobicContact CD2-CG 4.38Å
516P93.8Very high92.1Very high21 Ų2152.4 Ų52.414%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-71.5144-178.629.2-32.4000111.8E518 E519 L520P516-E518 PolarHBondContact O-N 2.81Å; P516-E519 HydrophobicContact CG-CB 3.94Å; P516-E519 HydrophobicContact CG-CG 3.65Å; P516-E519 VanDerWaalsContact CG-OE1 3.22Å; P516-E519 WeakPolarHBondContact CG-OE1 3.47Å; P516-E519 PolarHBondContact O-N 2.58Å; P516-E519 VanDerWaalsContact O-N 3.16Å; P516-L520 WeakPolarHBondContact O-CG 3.43Å; P516-L520 PolarHBondContact O-N 3.35Å; P516-L520 VanDerWaalsContact O-N 3.09Å
517F91Very high92.2Very high11 Ų1154.9 Ų54.95%0.04830%0.296CS..Hα-helixtrans-61.4-32.4-176.776.8-85.9000112.3R482 R484 F487 E519 L520 E521R482-F517 WeakPolarHBondContact O-CB 3.3Å; R482-F517 PolarHBondContact O-N 2.94Å; R484-F517 HydrophobicContact CB-CD1 3.99Å; R484-F517 HydrophobicContact CB-CD2 3.84Å; R484-F517 HydrophobicContact CB-CE1 4.09Å; R484-F517 HydrophobicContact CB-CE2 3.97Å; R484-F517 HydrophobicContact CB-CG 3.85Å; R484-F517 HydrophobicContact CB-CZ 4.1Å; R484-F517 HydrophobicContact CG-CD2 4.31Å; R484-F517 HydrophobicContact CG-CE1 4.2Å; R484-F517 HydrophobicContact CG-CE2 3.92Å; R484-F517 HydrophobicContact CG-CZ 3.86Å; F487-F517 HydrophobicContact CD2-CD1 4.29Å; F487-F517 HydrophobicContact CD2-CE1 4.18Å; F487-F517 HydrophobicContact CE2-CD1 4.05Å; F487-F517 HydrophobicContact CE2-CE1 4.23Å; F517-E519 VanDerWaalsContact C-N 3.31Å; F517-E519 PolarHBondContact O-N 3.35Å; F517-L520 PolarHBondContact O-N 2.82Å; F517-E521 HydrophobicContact CD2-CG 4.47Å; F517-E521 VanDerWaalsContact O-CB 3.26Å; F517-E521 WeakPolarHBondContact O-CB 3.48Å; F517-E521 VanDerWaalsContact O-CG 3.25Å; F517-E521 WeakPolarHBondContact O-CG 3.3Å; F517-E521 PolarHBondContact O-N 3.43Å
518E91.6Very high92.3Very high88 Ų8854.8 Ų54.841%0.41129%0.293SS..Hα-helixtrans-61.6-41.9177.4-60.689160.600111.4P516 S522P516-E518 PolarHBondContact O-N 2.81Å; E518-S522 WeakPolarHBondContact O-CB 3.24Å; E518-S522 PolarHBondContact O-N 2.84Å; E518-S522 VanDerWaalsContact O-N 3.16Å
519E94.3Very high92.6Very high68 Ų6854.1 Ų54.132%0.31829%0.29SS..Hα-helixtrans-69.7-41.7176.9-68.6176.3-149.900110.5P516 F517 S522 Q523 Y532 K536P516-E519 HydrophobicContact CG-CB 3.94Å; P516-E519 HydrophobicContact CG-CG 3.65Å; P516-E519 VanDerWaalsContact CG-OE1 3.22Å; P516-E519 WeakPolarHBondContact CG-OE1 3.47Å; P516-E519 PolarHBondContact O-N 2.58Å; P516-E519 VanDerWaalsContact O-N 3.16Å; F517-E519 VanDerWaalsContact C-N 3.31Å; F517-E519 PolarHBondContact O-N 3.35Å; E519-S522 PolarHBondContact O-N 3.45Å; E519-S522 PolarHBondContact O-OG 3.1Å; E519-Q523 WeakPolarHBondContact O-CG 3.47Å; E519-Q523 PolarHBondContact O-NE2 3.24Å; E519-Y532 HydrophobicContact CB-CE2 3.9Å; E519-Y532 HydrophobicContact CG-CE2 4.5Å; E519-Y532 WeakPolarHBondContact OE2-CE2 3.21Å; E519-Y532 PolarHBondContact OE2-OH 2.81Å; E519-K536 IonicContact OE1-NZ 3.27Å; E519-K536 WeakPolarHBondContact OE2-CE 3.24Å; E519-K536 IonicContact OE2-NZ 3.41Å; E519-K536 PolarHBondContact OE2-NZ 2.86Å
520L92.8Very high92.9Very high8 Ų853.6 Ų53.64%0.04227%0.273CS..Hα-helixtrans-66-43.3178.4-64.9172.2000112.5H401 V405 L481 L515 P516 F517 S522 Q523 L529 Y532H401-L520 HydrophobicContact CB-CB 4.38Å; H401-L520 HydrophobicContact CB-CD1 3.68Å; V405-L520 HydrophobicContact CG2-CD1 4.45Å; V405-L520 HydrophobicContact CG2-CD2 3.79Å; L481-L520 HydrophobicContact CD2-CD1 3.85Å; L515-L520 HydrophobicContact CB-CD1 4.12Å; L515-L520 HydrophobicContact CB-CD2 4.41Å; L515-L520 HydrophobicContact CB-CG 4.45Å; P516-L520 WeakPolarHBondContact O-CG 3.43Å; P516-L520 PolarHBondContact O-N 3.35Å; P516-L520 VanDerWaalsContact O-N 3.09Å; F517-L520 PolarHBondContact O-N 2.82Å; L520-S522 VanDerWaalsContact C-N 3.25Å; L520-S522 PolarHBondContact O-N 2.92Å; L520-Q523 WeakPolarHBondContact O-CB 3.38Å; L520-Q523 PolarHBondContact O-N 3.48Å; L520-Q523 VanDerWaalsContact O-N 3.17Å; L520-L529 HydrophobicContact CD2-CD1 3.73Å; L520-Y532 HydrophobicContact CD2-CD1 4.47Å; L520-Y532 HydrophobicContact CD2-CE1 3.83Å
521E90.7Very high93Very high107 Ų10756.3 Ų56.350%0.529%0.293SS..Hα-helixtrans-66.4-27.5177.4-73.9178.8178.300111.8H401 F517 Q523H401-E521 IonicContact CE1-OE1 3.46Å; H401-E521 WeakPolarHBondContact NE2-CG 3.34Å; F517-E521 HydrophobicContact CD2-CG 4.47Å; F517-E521 VanDerWaalsContact O-CB 3.26Å; F517-E521 WeakPolarHBondContact O-CB 3.48Å; F517-E521 VanDerWaalsContact O-CG 3.25Å; F517-E521 WeakPolarHBondContact O-CG 3.3Å; F517-E521 PolarHBondContact O-N 3.43Å; E521-Q523 VanDerWaalsContact C-N 3.26Å; E521-Q523 PolarHBondContact O-N 2.85Å
522S92Very high93.2Very high74 Ų7453.6 Ų53.652%0.51728%0.28SS..Hα-helixtrans-72.8-16.4175.377.90000113.9E518 E519 L520 R524E518-S522 WeakPolarHBondContact O-CB 3.24Å; E518-S522 PolarHBondContact O-N 2.84Å; E518-S522 VanDerWaalsContact O-N 3.16Å; E519-S522 PolarHBondContact O-N 3.45Å; E519-S522 PolarHBondContact O-OG 3.1Å; L520-S522 VanDerWaalsContact C-N 3.25Å; L520-S522 PolarHBondContact O-N 2.92Å; S522-R524 PolarHBondContact O-N 3.22Å
523Q92.8Very high93.3Very high46 Ų4651.4 Ų51.422%0.21527%0.269CS..  trans-75.9117.6-178.6-53.1-48.6-47.500111.2E519 L520 E521 G525 Q528 L529 Y532E519-Q523 WeakPolarHBondContact O-CG 3.47Å; E519-Q523 PolarHBondContact O-NE2 3.24Å; L520-Q523 WeakPolarHBondContact O-CB 3.38Å; L520-Q523 PolarHBondContact O-N 3.48Å; L520-Q523 VanDerWaalsContact O-N 3.17Å; E521-Q523 VanDerWaalsContact C-N 3.26Å; E521-Q523 PolarHBondContact O-N 2.85Å; Q523-G525 VanDerWaalsContact C-N 3.27Å; Q523-G525 PolarHBondContact O-N 2.82Å; Q523-Q528 PolarHBondContact OE1-O 3.25Å; Q523-L529 HydrophobicContact CB-CB 4.13Å; Q523-L529 HydrophobicContact CB-CD1 4.33Å; Q523-L529 HydrophobicContact CG-CB 4.4Å; Q523-L529 HydrophobicContact CG-CD1 3.93Å; Q523-Y532 HydrophobicContact CG-CD1 4.45Å; Q523-Y532 HydrophobicContact CG-CG 4.33Å
524R86.2Confident93.2Very high226 Ų22653.4 Ų53.485%0.85328%0.275SS*.  trans-84.262.4-176.8-63.2-172.5-178.2-170.60.4112.8S522 Q528S522-R524 PolarHBondContact O-N 3.22Å; R524-Q528 PolarHBondContact O-OE1 2.95Å
525G88.2Confident93.2Very high33 Ų3357.8 Ų57.834%0.3429%0.292SS..SBendtrans99.7-179.6178.600000113.9Q523 Q528 L529Q523-G525 VanDerWaalsContact C-N 3.27Å; Q523-G525 PolarHBondContact O-N 2.82Å; G525-Q528 PolarHBondContact O-N 3.34Å; G525-L529 PolarHBondContact O-N 3.24Å; G525-L529 VanDerWaalsContact O-N 3.08Å
526L91.4Very high93.3Very high42 Ų4260.3 Ų60.322%0.2230%0.303CS..Hα-helixtrans-64.7-40.5-169.4-172.663.7000114.7I404 E407 Q528 L529 K530I404-L526 HydrophobicContact CG1-CD1 4.33Å; E407-L526 HydrophobicContact CB-CD1 4.36Å; E407-L526 HydrophobicContact CG-CD1 3.99Å; E407-L526 HydrophobicContact CG-CD2 3.76Å; L526-Q528 PolarHBondContact O-N 3.39Å; L526-L529 HydrophobicContact CD1-CD2 4.45Å; L526-L529 PolarHBondContact O-N 3.29Å; L526-K530 WeakPolarHBondContact O-CB 3.4Å; L526-K530 PolarHBondContact O-N 3.29Å
527P93.2Very high93.4Very high90 Ų9059.3 Ų59.358%0.58430%0.296SS*.Hα-helixtrans-61.9-42178.9-24.335.3000113.2K530 S531P527-K530 PolarHBondContact O-N 2.83Å; P527-S531 PolarHBondContact O-N 3.42Å
528Q94.2Very high93.5Very high88 Ų8864.1 Ų64.141%0.41132%0.319SS..Hα-helixtrans-67.6-43.9177.7-70.473.114.500110.4Q523 R524 G525 L526 K530 S531 Y532Q523-Q528 PolarHBondContact OE1-O 3.25Å; R524-Q528 PolarHBondContact O-OE1 2.95Å; G525-Q528 PolarHBondContact O-N 3.34Å; L526-Q528 PolarHBondContact O-N 3.39Å; Q528-K530 VanDerWaalsContact C-N 3.32Å; Q528-K530 PolarHBondContact O-N 2.8Å; Q528-S531 WeakPolarHBondContact O-CB 3.27Å; Q528-S531 PolarHBondContact O-N 3.35Å; Q528-Y532 WeakPolarHBondContact O-CB 3.41Å; Q528-Y532 PolarHBondContact O-N 2.85Å
529L94.5Very high93.7Very high2 Ų264 Ų641%0.0133%0.334CS..Hα-helixtrans-58.6-43.4173.5-178.767.6000111.7I404 V405 L520 Q523 G525 L526 S531 Y532 L533I404-L529 HydrophobicContact CB-CD2 4.13Å; I404-L529 HydrophobicContact CD1-CD2 4.03Å; I404-L529 HydrophobicContact CG1-CD2 3.6Å; I404-L529 HydrophobicContact CG2-CD2 3.9Å; I404-L529 VanDerWaalsContact O-CD2 3.26Å; I404-L529 WeakPolarHBondContact O-CD2 3.03Å; V405-L529 HydrophobicContact CG2-CD1 4.4Å; V405-L529 HydrophobicContact CG2-CD2 4.33Å; L520-L529 HydrophobicContact CD2-CD1 3.73Å; Q523-L529 HydrophobicContact CB-CB 4.13Å; Q523-L529 HydrophobicContact CB-CD1 4.33Å; Q523-L529 HydrophobicContact CG-CB 4.4Å; Q523-L529 HydrophobicContact CG-CD1 3.93Å; G525-L529 PolarHBondContact O-N 3.24Å; G525-L529 VanDerWaalsContact O-N 3.08Å; L526-L529 HydrophobicContact CD1-CD2 4.45Å; L526-L529 PolarHBondContact O-N 3.29Å; L529-S531 VanDerWaalsContact C-N 3.34Å; L529-S531 PolarHBondContact O-N 2.91Å; L529-Y532 HydrophobicContact CD1-CD1 4.02Å; L529-Y532 WeakPolarHBondContact O-CB 3.23Å; L529-Y532 PolarHBondContact O-N 3.47Å; L529-L533 HydrophobicContact CD1-CG 4.4Å; L529-L533 HydrophobicContact CG-CD1 4.17Å; L529-L533 HydrophobicContact CG-CG 4.39Å; L529-L533 WeakPolarHBondContact O-CG 3.46Å; L529-L533 PolarHBondContact O-N 2.84Å
530K95.1Very high93.5Very high40 Ų4063.1 Ų63.117%0.17433%0.33CS..Hα-helixtrans-61.1-42.9176.4-172.3173.469.3165.50111.6Q411 L412 L526 P527 Q528 L533 R534 E547Q411-K530 HydrophobicContact CB-CD 4.19Å; L412-K530 HydrophobicContact CB-CD 4.4Å; L412-K530 HydrophobicContact CB-CG 4.15Å; L412-K530 HydrophobicContact CD1-CD 4.3Å; L412-K530 HydrophobicContact CD1-CG 3.94Å; L526-K530 WeakPolarHBondContact O-CB 3.4Å; L526-K530 PolarHBondContact O-N 3.29Å; P527-K530 PolarHBondContact O-N 2.83Å; Q528-K530 VanDerWaalsContact C-N 3.32Å; Q528-K530 PolarHBondContact O-N 2.8Å; K530-L533 PolarHBondContact O-N 3.31Å; K530-R534 WeakPolarHBondContact O-CB 3.33Å; K530-R534 PolarHBondContact O-N 2.81Å; K530-E547 IonicContact NZ-OE2 3.21Å; K530-E547 PolarHBondContact NZ-OE2 3.37Å
531S94.8Very high93.5Very high65 Ų6564.7 Ų64.746%0.45535%0.349SS..Hα-helixtrans-61.8-42.9174.8-1690000112.1P527 Q528 L529 R534 Q535P527-S531 PolarHBondContact O-N 3.42Å; Q528-S531 WeakPolarHBondContact O-CB 3.27Å; Q528-S531 PolarHBondContact O-N 3.35Å; L529-S531 VanDerWaalsContact C-N 3.34Å; L529-S531 PolarHBondContact O-N 2.91Å; S531-R534 WeakPolarHBondContact O-CB 3.41Å; S531-R534 PolarHBondContact O-N 2.72Å; S531-Q535 PolarHBondContact O-N 2.8Å
532Y96.8Very high93.6Very high15 Ų1559.7 Ų59.76%0.05933%0.326CS..Hα-helixtrans-62.2-48.2175.7163.6-98.1000112.1L515 E519 L520 Q523 Q528 L529 R534 Q535 K536L515-Y532 HydrophobicContact CD2-CE1 4Å; E519-Y532 HydrophobicContact CB-CE2 3.9Å; E519-Y532 HydrophobicContact CG-CE2 4.5Å; E519-Y532 WeakPolarHBondContact OE2-CE2 3.21Å; E519-Y532 PolarHBondContact OE2-OH 2.81Å; L520-Y532 HydrophobicContact CD2-CD1 4.47Å; L520-Y532 HydrophobicContact CD2-CE1 3.83Å; Q523-Y532 HydrophobicContact CG-CD1 4.45Å; Q523-Y532 HydrophobicContact CG-CG 4.33Å; Q528-Y532 WeakPolarHBondContact O-CB 3.41Å; Q528-Y532 PolarHBondContact O-N 2.85Å; L529-Y532 HydrophobicContact CD1-CD1 4.02Å; L529-Y532 WeakPolarHBondContact O-CB 3.23Å; L529-Y532 PolarHBondContact O-N 3.47Å; Y532-R534 VanDerWaalsContact C-N 3.32Å; Y532-R534 PolarHBondContact O-N 3.32Å; Y532-Q535 PolarHBondContact O-N 3.01Å; Y532-K536 HydrophobicContact CD2-CG 4.34Å; Y532-K536 HydrophobicContact CE1-CG 4.28Å; Y532-K536 HydrophobicContact CE2-CD 4.24Å; Y532-K536 HydrophobicContact CE2-CG 3.9Å; Y532-K536 VanDerWaalsContact CZ-CE 3.47Å; Y532-K536 WeakPolarHBondContact O-CG 3.28Å; Y532-K536 PolarHBondContact O-N 2.92Å; Y532-K536 VanDerWaalsContact OH-CE 3.27Å; Y532-K536 WeakPolarHBondContact OH-CE 3.43Å
533L96.7Very high93.4Very high1 Ų165 Ų651%0.00533%0.334CS..Hα-helixtrans-61.1-42176.6-68.8174.4000111.2V405 L409 L412 L515 L529 K530 Q535 K536 L537V405-L533 HydrophobicContact CG1-CD1 4.38Å; V405-L533 HydrophobicContact CG1-CD2 4.26Å; L409-L533 HydrophobicContact CD2-CD1 4.23Å; L409-L533 HydrophobicContact CG-CD1 4.19Å; L412-L533 HydrophobicContact CD2-CB 4.13Å; L515-L533 HydrophobicContact CD1-CD2 3.94Å; L515-L533 HydrophobicContact CD2-CD2 4.33Å; L529-L533 HydrophobicContact CD1-CG 4.4Å; L529-L533 HydrophobicContact CG-CD1 4.17Å; L529-L533 HydrophobicContact CG-CG 4.39Å; L529-L533 WeakPolarHBondContact O-CG 3.46Å; L529-L533 PolarHBondContact O-N 2.84Å; K530-L533 PolarHBondContact O-N 3.31Å; L533-Q535 PolarHBondContact O-N 3.33Å; L533-K536 PolarHBondContact O-N 3.24Å; L533-L537 WeakPolarHBondContact O-CB 3.25Å; L533-L537 VanDerWaalsContact O-CG 3.25Å; L533-L537 WeakPolarHBondContact O-CG 3.14Å; L533-L537 PolarHBondContact O-N 2.78Å
534R95.9Very high93.2Very high54 Ų5465 Ų6520%0.20433%0.332CS..Hα-helixtrans-56.6-50.2173.7172.1176.4-47.7110.68.2111.5L412 K530 S531 Y532 K536 L537 Q538 W544 E547L412-R534 HydrophobicContact CD1-CB 4.18Å; L412-R534 VanDerWaalsContact CD1-NH2 3.27Å; L412-R534 HydrophobicContact CD2-CB 4.11Å; K530-R534 WeakPolarHBondContact O-CB 3.33Å; K530-R534 PolarHBondContact O-N 2.81Å; S531-R534 WeakPolarHBondContact O-CB 3.41Å; S531-R534 PolarHBondContact O-N 2.72Å; Y532-R534 VanDerWaalsContact C-N 3.32Å; Y532-R534 PolarHBondContact O-N 3.32Å; R534-K536 VanDerWaalsContact C-N 3.34Å; R534-K536 PolarHBondContact O-N 3.1Å; R534-L537 PolarHBondContact O-N 3.14Å; R534-Q538 HydrophobicContact CG-CG 4.35Å; R534-Q538 WeakPolarHBondContact O-CB 3.37Å; R534-Q538 WeakPolarHBondContact O-CG 3.48Å; R534-Q538 PolarHBondContact O-N 2.76Å; R534-W544 HydrophobicContact CB-CH2 4.29Å; R534-W544 HydrophobicContact CB-CZ2 4.02Å; R534-W544 HydrophobicContact CG-CH2 3.99Å; R534-W544 HydrophobicContact CG-CZ2 3.72Å; R534-E547 IonicContact CZ-OE1 3.32Å; R534-E547 VanDerWaalsContact CZ-OE1 3.32Å; R534-E547 IonicContact NE-OE1 3.79Å; R534-E547 IonicContact NH2-OE1 2.58Å; R534-E547 PolarHBondContact NH2-OE1 2.65Å; R534-E547 IonicContact NH2-OE2 3.74Å
535Q95.8Very high92.7Very high134 Ų13456.7 Ų56.763%0.62632%0.317SS*.Hα-helixtrans-60.1-44.4179.3-172.4-17715.400111.5S531 Y532 L533 Q538 A539S531-Q535 PolarHBondContact O-N 2.8Å; Y532-Q535 PolarHBondContact O-N 3.01Å; L533-Q535 PolarHBondContact O-N 3.33Å; Q535-Q538 PolarHBondContact O-N 3.3Å; Q535-A539 VanDerWaalsContact O-CB 3.31Å; Q535-A539 WeakPolarHBondContact O-CB 3.1Å; Q535-A539 PolarHBondContact O-N 3.34Å
536K96.6Very high91.8Very high53 Ų5361.3 Ų61.323%0.2334%0.341CS..Hα-helixtrans-62.6-44.2178.1-72-70.2-174.1174.50112.5L513 L515 E519 Y532 L533 R534 L540L513-K536 HydrophobicContact CD1-CB 4.32Å; L513-K536 HydrophobicContact CD1-CD 4.46Å; L513-K536 HydrophobicContact CD2-CB 4.09Å; L515-K536 HydrophobicContact CD2-CG 4.38Å; E519-K536 IonicContact OE1-NZ 3.27Å; E519-K536 WeakPolarHBondContact OE2-CE 3.24Å; E519-K536 IonicContact OE2-NZ 3.41Å; E519-K536 PolarHBondContact OE2-NZ 2.86Å; Y532-K536 HydrophobicContact CD2-CG 4.34Å; Y532-K536 HydrophobicContact CE1-CG 4.28Å; Y532-K536 HydrophobicContact CE2-CD 4.24Å; Y532-K536 HydrophobicContact CE2-CG 3.9Å; Y532-K536 VanDerWaalsContact CZ-CE 3.47Å; Y532-K536 WeakPolarHBondContact O-CG 3.28Å; Y532-K536 PolarHBondContact O-N 2.92Å; Y532-K536 VanDerWaalsContact OH-CE 3.27Å; Y532-K536 WeakPolarHBondContact OH-CE 3.43Å; L533-K536 PolarHBondContact O-N 3.24Å; R534-K536 VanDerWaalsContact C-N 3.34Å; R534-K536 PolarHBondContact O-N 3.1Å; K536-L540 PolarHBondContact O-N 3.44Å
537L95.8Very high90.3Very high0 Ų064 Ų640%035%0.352CS..Hα-helixtrans-69.5-41.5178.9-66.2169.8000111.5L409 L412 L413 L479 L513 L533 R534 A539 L540 L542 W544L409-L537 HydrophobicContact CD2-CD1 4.26Å; L412-L537 HydrophobicContact CD2-CD1 3.84Å; L413-L537 HydrophobicContact CD1-CD1 4.07Å; L413-L537 HydrophobicContact CD2-CD1 4.2Å; L413-L537 HydrophobicContact CG-CD1 4.47Å; L479-L537 HydrophobicContact CD1-CD2 4.17Å; L479-L537 HydrophobicContact CD2-CD2 4.46Å; L513-L537 HydrophobicContact CD2-CD2 3.86Å; L513-L537 HydrophobicContact CD2-CG 4.5Å; L533-L537 WeakPolarHBondContact O-CB 3.25Å; L533-L537 VanDerWaalsContact O-CG 3.25Å; L533-L537 WeakPolarHBondContact O-CG 3.14Å; L533-L537 PolarHBondContact O-N 2.78Å; R534-L537 PolarHBondContact O-N 3.14Å; L537-A539 VanDerWaalsContact C-N 3.34Å; L537-A539 PolarHBondContact O-N 3.36Å; L537-L540 WeakPolarHBondContact O-CB 3.47Å; L537-L540 PolarHBondContact O-N 2.91Å; L537-L540 VanDerWaalsContact O-N 3.12Å; L537-L542 HydrophobicContact CB-CB 4.39Å; L537-L542 HydrophobicContact CB-CD1 4.35Å; L537-L542 HydrophobicContact CD2-CD1 3.71Å; L537-L542 VanDerWaalsContact O-CB 3.3Å; L537-L542 WeakPolarHBondContact O-CB 3.34Å; L537-L542 PolarHBondContact O-N 2.76Å; L537-L542 VanDerWaalsContact O-N 3.1Å; L537-W544 HydrophobicContact CB-CH2 3.7Å; L537-W544 HydrophobicContact CB-CZ3 3.5Å; L537-W544 VanDerWaalsContact CB-CZ3 3.5Å; L537-W544 HydrophobicContact CD1-CH2 4.22Å; L537-W544 HydrophobicContact CD1-CZ3 4.22Å
538Q94.8Very high88.2Confident112 Ų11260.9 Ų60.952%0.52334%0.336SS..Hα-helixtrans-65.3-35.4175.8-76.7173.7-17.200112.6R534 Q535 L540 G541 W544R534-Q538 HydrophobicContact CG-CG 4.35Å; R534-Q538 WeakPolarHBondContact O-CB 3.37Å; R534-Q538 WeakPolarHBondContact O-CG 3.48Å; R534-Q538 PolarHBondContact O-N 2.76Å; Q535-Q538 PolarHBondContact O-N 3.3Å; Q538-L540 PolarHBondContact O-N 2.96Å; Q538-G541 WeakPolarHBondContact O-CA 3.34Å; Q538-G541 PolarHBondContact O-N 3.19Å; Q538-W544 HydrophobicContact CG-CH2 3.77Å; Q538-W544 HydrophobicContact CG-CZ3 4.15Å
539A94.2Very high85.5Confident87 Ų8763.1 Ų63.172%0.71938%0.383SS*.Hα-helixtrans-63.2-2417400000112.7Q535 L537 G541Q535-A539 VanDerWaalsContact O-CB 3.31Å; Q535-A539 WeakPolarHBondContact O-CB 3.1Å; Q535-A539 PolarHBondContact O-N 3.34Å; L537-A539 VanDerWaalsContact C-N 3.34Å; L537-A539 PolarHBondContact O-N 3.36Å; A539-G541 VanDerWaalsContact C-N 3.26Å
540L91.4Very high85Confident48 Ų4866.2 Ų66.225%0.25140%0.402SS..THydrogen-bonded Turntrans-844169.6-68.3-178.2000113.6V477 L513 K536 L537 Q538 L542V477-L540 HydrophobicContact CG1-CD1 3.86Å; L513-L540 HydrophobicContact CB-CD1 3.87Å; L513-L540 HydrophobicContact CD1-CD1 3.82Å; L513-L540 HydrophobicContact CD1-CG 4.17Å; L513-L540 HydrophobicContact CD2-CD1 3.71Å; L513-L540 HydrophobicContact CG-CD1 3.98Å; K536-L540 PolarHBondContact O-N 3.44Å; L537-L540 WeakPolarHBondContact O-CB 3.47Å; L537-L540 PolarHBondContact O-N 2.91Å; L537-L540 VanDerWaalsContact O-N 3.12Å; Q538-L540 PolarHBondContact O-N 2.96Å; L540-L542 VanDerWaalsContact C-N 3.26Å; L540-L542 HydrophobicContact CB-CD1 4.37Å; L540-L542 HydrophobicContact CB-CG 4.07Å; L540-L542 HydrophobicContact CD1-CD1 4.46Å; L540-L542 PolarHBondContact O-N 3.46Å
541G91.8Very high84.5Confident41 Ų4167.5 Ų67.542%0.42341%0.414SS..THydrogen-bonded Turntrans76.210.2-175.500000114.1Q538 A539Q538-G541 WeakPolarHBondContact O-CA 3.34Å; Q538-G541 PolarHBondContact O-N 3.19Å; A539-G541 VanDerWaalsContact C-N 3.26Å
542L92.6Very high83.9Confident3 Ų367.7 Ų67.72%0.01641%0.411CS..  trans-75.2138.2-178.7-58.2177.7000111.3A436 G440 V442 V477 L537 L540 W544A436-L542 HydrophobicContact CB-CD2 3.49Å; A436-L542 VanDerWaalsContact CB-CD2 3.49Å; G440-L542 CarbonylContact O-C 3.33Å; G440-L542 VanDerWaalsContact O-CA 3.27Å; G440-L542 WeakPolarHBondContact O-CA 3.5Å; V442-L542 HydrophobicContact CG2-CB 4.14Å; V477-L542 HydrophobicContact CG1-CD1 4.45Å; V477-L542 HydrophobicContact CG2-CD1 4.27Å; V477-L542 HydrophobicContact CG2-CD2 4.4Å; L537-L542 HydrophobicContact CB-CB 4.39Å; L537-L542 HydrophobicContact CB-CD1 4.35Å; L537-L542 HydrophobicContact CD2-CD1 3.71Å; L537-L542 VanDerWaalsContact O-CB 3.3Å; L537-L542 WeakPolarHBondContact O-CB 3.34Å; L537-L542 PolarHBondContact O-N 2.76Å; L537-L542 VanDerWaalsContact O-N 3.1Å; L540-L542 VanDerWaalsContact C-N 3.26Å; L540-L542 HydrophobicContact CB-CD1 4.37Å; L540-L542 HydrophobicContact CB-CG 4.07Å; L540-L542 HydrophobicContact CD1-CD1 4.46Å; L540-L542 PolarHBondContact O-N 3.46Å; L542-W544 HydrophobicContact CB-CZ3 4.35Å; L542-W544 WeakPolarHBondContact O-CZ3 3.17Å
543R89.4Confident83.2Confident185 Ų18570.8 Ų70.870%0.69843%0.432SS*.BIsolated β-bridgetrans-126139.7178.5-56.4-177.5-172.3-143.21.1109.1G440 A441 V442G440-R543 PolarHBondContact O-N 2.46Å; A441-R543 CarbonylContact C-O 3.57Å; A441-R543 WeakPolarHBondContact CA-O 3.1Å; V442-R543 PolarHBondContact N-O 3.45Å
544W88.6Confident82.3Confident46 Ų4675.1 Ų75.117%0.17446%0.459CS..  trans-132.2161.2173.751.898000108.6L412 L413 V442 R534 L537 Q538 L542L412-W544 HydrophobicContact CD1-CZ2 3.81Å; L412-W544 HydrophobicContact CD2-CH2 4.42Å; L412-W544 HydrophobicContact CD2-CZ2 3.86Å; L412-W544 HydrophobicContact CG-CZ2 3.89Å; L412-W544 PolarHBondContact O-NE1 3.11Å; L413-W544 HydrophobicContact CD2-CB 3.87Å; L413-W544 HydrophobicContact CD2-CD2 3.45Å; L413-W544 VanDerWaalsContact CD2-CD2 3.45Å; L413-W544 HydrophobicContact CD2-CE3 3.89Å; L413-W544 HydrophobicContact CD2-CG 3.45Å; L413-W544 VanDerWaalsContact CD2-CG 3.45Å; V442-W544 HydrophobicContact CB-CB 4.48Å; V442-W544 HydrophobicContact CG2-CE3 4.49Å; R534-W544 HydrophobicContact CB-CH2 4.29Å; R534-W544 HydrophobicContact CB-CZ2 4.02Å; R534-W544 HydrophobicContact CG-CH2 3.99Å; R534-W544 HydrophobicContact CG-CZ2 3.72Å; L537-W544 HydrophobicContact CB-CH2 3.7Å; L537-W544 HydrophobicContact CB-CZ3 3.5Å; L537-W544 VanDerWaalsContact CB-CZ3 3.5Å; L537-W544 HydrophobicContact CD1-CH2 4.22Å; L537-W544 HydrophobicContact CD1-CZ3 4.22Å; Q538-W544 HydrophobicContact CG-CH2 3.77Å; Q538-W544 HydrophobicContact CG-CZ3 4.15Å; L542-W544 HydrophobicContact CB-CZ3 4.35Å; L542-W544 WeakPolarHBondContact O-CZ3 3.17Å
545G75.8Confident81.4Confident51 Ų5176.5 Ų76.553%0.52648%0.476SS..SBendtrans-64.4-170.3176.200000112.3
546P67.9Low80.4Confident131 Ų13172.4 Ų72.485%0.85147%0.465SS*.SBendtrans-51.3144.6173.222.8-32.5000110.8G548P546-G548 PolarHBondContact O-N 2.99Å
547E60.2Low79.1Confident98 Ų9873.9 Ų73.946%0.45848%0.483SS..PPolyproline II helixtrans-49.4126.3-175.7-66.3-172.4-17400110.7K530 R534 G549K530-E547 IonicContact NZ-OE2 3.21Å; K530-E547 PolarHBondContact NZ-OE2 3.37Å; R534-E547 IonicContact CZ-OE1 3.32Å; R534-E547 VanDerWaalsContact CZ-OE1 3.32Å; R534-E547 IonicContact NE-OE1 3.79Å; R534-E547 IonicContact NH2-OE1 2.58Å; R534-E547 PolarHBondContact NH2-OE1 2.65Å; R534-E547 IonicContact NH2-OE2 3.74Å; E547-G549 PolarHBondContact O-N 3.33Å
548G50.2Low77.7Confident24 Ų2480.1 Ų80.125%0.24752%0.523CS..PPolyproline II helixtrans-63.3124179.700000110.7P546P546-G548 PolarHBondContact O-N 2.99Å
549G35.9Very low76.2Confident135 Ų13577.2 Ų77.2100%1.39252%0.523SS*.  trans-68.40178.700000114.1E547E547-G549 PolarHBondContact O-N 3.33Å

Retrieved 549 of 549 residues in 239.3 ms (Link to these results)