A0A087XJU5_POEFO Loading...

Zinc finger CCCH domain-containing protein 10

Specific regulator of miRNA biogenesis. Binds, via the C3H1-type zinc finger domains, to the binding motif 5'-GCAGCGC-3' on microRNA pri-MIR143 and negatively regulates the processing to mature microRNA.

AlphaFold DB , UniProt , Accession A0A087XJU5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M46.8Very low41.1Very low211 Ų211140.1 Ų140.1100%1.03978%0.784SS**  0111.60-61.2-45.8-173.500107.4
2P59.5Low40.3Very low125 Ų125135.5 Ų135.581%0.81279%0.791SS**  cis-74.6-154.22.1-11.930000112.5
3D39.5Very low39.5Very low130 Ų130131.3 Ų131.370%0.69580%0.795SS**  179.9163.3-75-138.5-50000110.3
4R42.8Very low38.9Very low200 Ų200127.4 Ų127.476%0.75579%0.794SS**  trans62.1113.5160.7-56.8-145.971.8173.23.5123.4
5D41.8Very low38.7Very low107 Ų107127.1 Ų127.157%0.57280%0.798SS**  66.1109.1119.2-75.1-53.8000125.2
6S40Very low38.1Very low104 Ų104124.6 Ų124.673%0.72781%0.805SS**  63.1101.6106.3-52.50000122
7S38.8Very low37.7Very low121 Ų121120.9 Ų120.985%0.84680%0.795SS**  trans-173.4167.2141.441.60000110.8
8Y36Very low37.3Very low209 Ų209121.7 Ų121.782%0.8280%0.797SS**  -163.9146.4-50.3-154.7-119.5000106.8
9L39.2Very low36.9Very low142 Ų142123.3 Ų123.374%0.74380%0.797SS**  trans69137.7171.3-66.7163.7000121.2
10S37.2Very low36.7Very low111 Ų111123.7 Ų123.778%0.77680%0.797SS**  trans15142.7138-46.40000120.8
11G30.8Very low36.4Very low81 Ų81125.2 Ų125.284%0.83579%0.794SS**  cis120.1115.112.200000111.3
12G31.1Very low35.8Very low85 Ų85123.4 Ų123.488%0.87678%0.783SS**  trans-178.8146-178.600000108.3
13G30.3Very low34.5Very low81 Ų81120.9 Ų120.984%0.83578%0.78SS**  trans-139.5174.1-16800000114.6
14G31.6Very low34.1Very low76 Ų76118.2 Ų118.278%0.78478%0.782SS**  trans88.2156.7-175.600000113.6
15S34.8Very low34.4Very low123 Ų123115.3 Ų115.386%0.8679%0.79SS**  cis-171133.2-12.947.20000112.2
16G30.3Very low33.9Very low87 Ų87113.9 Ų113.990%0.89780%0.8SS**  trans92.9152.6149.300000118.8
17G29.9Very low33.8Very low63 Ų63115.4 Ų115.465%0.64981%0.811SS**  trans123.8101.7148.500000118.2
18T31Very low33.4Very low135 Ų135113.2 Ų113.283%0.82881%0.808SS**  trans64.8154.1143.861.60000119.1
19L29.9Very low33.3Very low151 Ų151111.5 Ų111.579%0.79181%0.812SS**  cis-163.7-176-13.3-111.3168.2000107.7
20V32Very low33Very low131 Ų131111.9 Ų111.979%0.79482%0.82SS**  trans74.5142.8165-171.60000115.3
21E31Very low32.7Very low157 Ų157110.1 Ų110.173%0.73482%0.818SS**  cis-176.5165.5-39.1-113.6-84.963.400108.3
22E34.1Very low32.6Very low172 Ų172110.3 Ų110.380%0.80482%0.82SS**  trans62.1158.6160.3-74.6-82.556.500120.8
23G31.9Very low32.7Very low73 Ų73112.3 Ų112.375%0.75382%0.821SS**  trans133.633.1158.800000121.2
24G31Very low32.9Very low73 Ų73112.7 Ų112.775%0.75382%0.817SS**  trans-84.8-176.1154.700000111.6
25P50.1Low32.9Very low140 Ų140116 Ų11691%0.90982%0.816SS**  cis-131.1-165-1.742.8-26.2000112.9
26G31.9Very low32.9Very low77 Ų77116.2 Ų116.279%0.79482%0.816SS**  trans165.3107162.800000116
27S36.9Very low33.2Very low136 Ų136124.3 Ų124.395%0.95182%0.82SS**  trans-95.4151.3178.9-57.30000113.1
28G30.8Very low33.4Very low75 Ų75125.1 Ų125.177%0.77383%0.828SS**  trans-152.6139.9170.600000112.3
29L32.8Very low33.5Very low173 Ų173122.2 Ų122.291%0.90683%0.825SS**  trans-123.9177.1-179.3-72.4172.1000110.7
30V33.4Very low34.1Very low150 Ų150121 Ų12191%0.90983%0.829SS**  trans78144-176.4108.30000113.7
31G30.2Very low34.2Very low73 Ų73118.8 Ų118.875%0.75383%0.832SS**  cis131.3128.1-8.300000112.9
32G30.1Very low34.4Very low85 Ų85115.3 Ų115.388%0.87684%0.838SS**  trans147.6140.8174.300000114.6
33S33Very low34.3Very low128 Ų128110.5 Ų110.590%0.89584%0.835SS**  trans-108.6153.4174.4-51.40000110.5
34A34.9Very low34.5Very low89 Ų89114.3 Ų114.374%0.73684%0.844SS**  trans-175.7126.4146.300000114.9
35D31.6Very low34.5Very low146 Ų146114.7 Ų114.778%0.78185%0.848SS**  52.599.1127.6-51.4-22.8000124
36C33.5Very low33.6Very low127 Ų127112 Ų11286%0.85885%0.845SS**  26.6109.1111.9-59.40000121.1
37R37.1Very low33.8Very low257 Ų257116.2 Ų116.297%0.9785%0.849SS**  trans-147.7151.1140.7-64.8-168.8177.6-170.5-1.7109.3
38G33Very low33.8Very low79 Ų79118.1 Ų118.181%0.81485%0.847SS**  cis153110.8-10.600000113.4
39G34.6Very low34.3Very low74 Ų74120.5 Ų120.576%0.76385%0.852SS**  trans81.5165170.400000116.8
40S41.9Very low34.3Very low127 Ų127116 Ų11689%0.88885%0.848SS**  cis-165.2143.2-8.5-85.30000112.3
41G35Very low34.6Very low83 Ų83115 Ų11586%0.85685%0.847SS**  trans75147.7161.600000117
42G33.9Very low34.8Very low84 Ų84115.4 Ų115.487%0.86685%0.851SS**  cis115.6127.65.700000111.2
43G33.1Very low34.9Very low71 Ų71114.7 Ų114.773%0.73284%0.844SS**  cis-168.1-151.6-0.100000111.4
44V35.6Very low35.2Very low154 Ų154118.1 Ų118.193%0.93385%0.848SS**  trans0.7139.9165.6-63.50000119.4
45G31.9Very low35.2Very low81 Ų81118 Ų11884%0.83586%0.855SS**  cis129.9133.712.100000110.4
46G31.2Very low35.3Very low83 Ų83115 Ų11586%0.85686%0.86SS**  trans170.5130.7178.700000114.7
47N35.9Very low35.4Very low166 Ų166112.7 Ų112.789%0.88886%0.857SS**  trans-94.2148.1169.2-67.9-23.4000110
48I36.4Very low35.3Very low176 Ų176105.4 Ų105.490%0.90385%0.852SS**  trans-155.1151.4138.825.1170.1000110.9
49S40.2Very low35.5Very low125 Ų125106 Ų10687%0.87485%0.849SS**  trans-85.4153.3177.5-540000112.1
50G33Very low36.1Very low79 Ų79108.7 Ų108.781%0.81485%0.853SS**  trans-144.7126.8166.100000110.2
51S40Very low35.7Very low128 Ų128106.4 Ų106.490%0.89585%0.849SS**  trans-129.4123.8-170.256.50000112.9
52G34Very low35.7Very low82 Ų82110 Ų11085%0.84585%0.849SS**  trans159.4154.3174.300000110.4
53G33.3Very low35.9Very low70 Ų70109.8 Ų109.872%0.72283%0.834SS**  cis168.7118.7-9.100000113
54M38.9Very low36.2Very low199 Ų199114.6 Ų114.698%0.9884%0.843SS**  trans69.1144.6162.2-52.1174.573.800118.8
55G34.6Very low36.2Very low86 Ų86110 Ų11089%0.88783%0.828SS**  trans84.4146167.700000116.6
56G35.1Very low36.4Very low85 Ų85116.8 Ų116.888%0.87683%0.834SS**  cis147.987.1-13.500000115.6
57G35.5Very low36.7Very low77 Ų77116.3 Ų116.379%0.79483%0.829SS**  trans108.6146.4157.900000118.2
58A33.1Very low37Very low105 Ų105116.3 Ų116.387%0.86883%0.829SS**  trans54.2126.115700000121.4
59A37.2Very low37.2Very low92 Ų92111.3 Ų111.376%0.7682%0.822SS**  trans-85159.1143.200000108.5
60P47.3Very low37.2Very low130 Ų130109.3 Ų109.384%0.84482%0.821SS**  -130.9176.869.635.3-20.5000112.8
61G34.8Very low37.2Very low78 Ų78109.6 Ų109.680%0.80482%0.823SS**  trans-113.5159.6178.800000113.7
62N34.8Very low37.1Very low158 Ų158107.8 Ų107.885%0.84583%0.825SS**  trans-154.5156134.2-159.915.5000111.8
63S38.5Very low37.1Very low81 Ų81107 Ų10757%0.56682%0.816SS**  trans-1.8118.1166.359.80000120.2
64N39.2Very low37.8Very low171 Ų171110.5 Ų110.591%0.91483%0.827SS**  -159148.3115.1-100.7-13.6000110.2
65G34.4Very low37.7Very low59 Ų59104.4 Ų104.461%0.60882%0.815SS**  cis163.113.2-0.800000116.9
66F36Very low38.2Very low223 Ų223105.5 Ų105.598%0.97882%0.816SS**  trans-105.394.7177-72-65.6000111.4
67G39Very low38.1Very low73 Ų73104.5 Ų104.575%0.75381%0.806SS**  trans-110.6139.3169.700000111.5
68N42.3Very low38.7Very low165 Ų165108.1 Ų108.188%0.88281%0.806SS**  trans-152.1119.1151.2-130.66.3000105.3
69G41Very low39.2Very low72 Ų72108.1 Ų108.174%0.74281%0.806SS**  cis90.4125.614.700000110.1
70G39.1Very low39.8Very low83 Ų83110.1 Ų110.186%0.85680%0.803SS**  cis-146.5-164.9-12.100000108.3
71G33.3Very low40.4Very low84 Ų84111.2 Ų111.287%0.86680%0.802SS**  cis-145.9-161.1-800000108
72G38.8Very low42.3Very low90 Ų90109.2 Ų109.293%0.92878%0.781SS**  cis13561.814.800000110.6
73G33.2Very low44.5Very low65 Ų65103.5 Ų103.567%0.6775%0.752SS**  trans-158.2140.2-179.100000112.4G75G73-G75 VanDerWaalsContact C-N 3.34Å; G73-G75 PolarHBondContact O-N 3.34Å
74P48.8Very low46.7Very low144 Ų14499.7 Ų99.794%0.93573%0.725SS**  trans-84.367-166.534.7-37.3000113.5
75G35.1Very low48.8Very low72 Ų7299.8 Ų99.874%0.74271%0.713SS**  trans-79.6115.117100000112G73 G77G73-G75 VanDerWaalsContact C-N 3.34Å; G73-G75 PolarHBondContact O-N 3.34Å; G75-G77 PolarHBondContact O-N 3.02Å
76A46.3Very low51.1Low109 Ų10999.7 Ų99.790%0.90170%0.698SS**  trans-73.967.417500000112.2
77G33.5Very low53.4Low64 Ų6491.1 Ų91.166%0.6666%0.661SS**  trans-92121.5175.700000112.2G75 A79G75-G77 PolarHBondContact O-N 3.02Å; G77-A79 PolarHBondContact O-N 3.29Å
78L46.2Very low55.4Low152 Ų15293 Ų9380%0.79665%0.653SS**  trans-71.588.2-174.5-66.4171.9000112.9L80L78-L80 HydrophobicContact CB-CD1 4.14Å; L78-L80 HydrophobicContact CB-CG 4.31Å; L78-L80 HydrophobicContact CD1-CD1 4.39Å; L78-L80 PolarHBondContact O-N 3.17Å
79A43.6Very low57.2Low105 Ų10592.2 Ų92.287%0.86864%0.637SS**  trans-74.160.1172.100000112.5G77G77-A79 PolarHBondContact O-N 3.29Å
80L51.2Low58.6Low135 Ų13594.9 Ų94.971%0.70763%0.634SS**  trans-78.6-19.9-170.2-87.6168.5000115.4L78 G82L78-L80 HydrophobicContact CB-CD1 4.14Å; L78-L80 HydrophobicContact CB-CG 4.31Å; L78-L80 HydrophobicContact CD1-CD1 4.39Å; L78-L80 PolarHBondContact O-N 3.17Å; L80-G82 PolarHBondContact O-N 3.38Å
81D59.1Low60.7Low152 Ų15295.5 Ų95.581%0.81362%0.621SS**  trans-78.550.6-176.6-77.9-22.3000114.1V83D81-V83 PolarHBondContact O-N 3.01Å
82G74.3Confident63.1Low36 Ų3692.4 Ų92.437%0.37159%0.586SS.*  trans-68.41716800000114.4L80 K101L80-G82 PolarHBondContact O-N 3.38Å; G82-K101 WeakPolarHBondContact O-CB 3.36Å; G82-K101 PolarHBondContact O-N 3.48Å
83V82.2Confident65.3Low39 Ų3998.2 Ų98.224%0.23659%0.586CS.*BIsolated β-bridgetrans-93.5142.3-174.5179.10000110.9D81 R85 I88 K101 P103D81-V83 PolarHBondContact O-N 3.01Å; V83-R85 PolarHBondContact O-N 2.73Å; V83-R85 VanDerWaalsContact O-N 3.08Å; V83-I88 HydrophobicContact CG1-CD1 3.78Å; V83-I88 HydrophobicContact CG1-CG1 3.98Å; V83-K101 CarbonylContact C-O 3.58Å; V83-K101 WeakPolarHBondContact CA-O 3.31Å; V83-P103 HydrophobicContact CG1-CG 4.19Å
84C83.7Confident67.7Low1 Ų1100.9 Ų100.91%0.00758%0.576CS.*  trans-70.7107.1-178.8-170.90000112D86 F87 I88 C92 C98 F100 K101 H102C84-D86 PolarHBondContact O-N 3.06Å; C84-D86 VanDerWaalsContact O-N 3.1Å; C84-F87 HydrophobicContact CB-CB 3.73Å; C84-F87 WeakPolarHBondContact O-CA 3.44Å; C84-F87 WeakPolarHBondContact O-CB 3.46Å; C84-F87 PolarHBondContact O-N 2.92Å; C84-I88 PolarHBondContact O-N 3.23Å; C84-I88 VanDerWaalsContact O-N 3.11Å; C84-C92 VanDerWaalsContact SG-SG 3.64Å; C84-C98 PolarHBondContact SG-SG 3.26Å; C84-F100 HydrophobicContact CB-CB 3.71Å; C84-K101 PolarHBondContact N-O 3.34Å; C84-H102 VanDerWaalsContact CB-CD2 3.42Å; C84-H102 WeakPolarHBondContact CB-CD2 3.3Å
85R84.4Confident69Low173 Ų17395.6 Ų95.665%0.65355%0.547SS*.THydrogen-bonded Turntrans-56.8-22.9173.9-68.9166.57091-9.9113.5V83 R89V83-R85 PolarHBondContact O-N 2.73Å; V83-R85 VanDerWaalsContact O-N 3.08Å; R85-R89 PolarHBondContact O-NH1 3.42Å
86D82.6Confident71Confident56 Ų56100 Ų10030%0.29955%0.546SS..THydrogen-bonded Turntrans-80.6-29.1174.7-54.3-19.8000112C84 N90 V91 C92 R94C84-D86 PolarHBondContact O-N 3.06Å; C84-D86 VanDerWaalsContact O-N 3.1Å; D86-N90 PolarHBondContact O-N 3.42Å; D86-V91 HydrophobicContact CB-CG2 4.04Å; D86-V91 VanDerWaalsContact O-CG2 3.27Å; D86-V91 WeakPolarHBondContact O-CG2 3.47Å; D86-V91 PolarHBondContact O-N 2.87Å; D86-C92 HydrophobicContact CB-CB 3.65Å; D86-C92 PolarHBondContact O-N 3.01Å; D86-C92 VanDerWaalsContact O-N 3.07Å; D86-R94 IonicContact OD2-CZ 3.61Å; D86-R94 IonicContact OD2-NH2 3.85Å; D86-R94 PolarHBondContact OD2-NH2 3.25Å
87F83.8Confident72.4Confident43 Ų43105.9 Ų105.919%0.18955%0.545CS..THydrogen-bonded Turntrans-78-40.6179.1176.4-104.8000111.2C84 R89 N90 C92 H102 P103C84-F87 HydrophobicContact CB-CB 3.73Å; C84-F87 WeakPolarHBondContact O-CA 3.44Å; C84-F87 WeakPolarHBondContact O-CB 3.46Å; C84-F87 PolarHBondContact O-N 2.92Å; F87-R89 PolarHBondContact O-N 3.03Å; F87-R89 VanDerWaalsContact O-N 3.11Å; F87-N90 WeakPolarHBondContact O-CA 3.45Å; F87-N90 PolarHBondContact O-N 3.27Å; F87-C92 HydrophobicContact CB-CB 3.93Å; F87-H102 HydrophobicContact CD1-CB 3.91Å; F87-H102 AromaticContact CD1-CG 3.98Å; F87-H102 HydrophobicContact CD2-CB 4.07Å; F87-H102 AromaticContact CD2-CE1 3.54Å; F87-H102 AromaticContact CD2-CG 3.57Å; F87-H102 AromaticContact CD2-ND1 3.1Å; F87-H102 WeakPolarHBondContact CD2-ND1 3.34Å; F87-H102 HydrophobicContact CE1-CB 3.93Å; F87-H102 HydrophobicContact CE2-CB 4.07Å; F87-H102 AromaticContact CE2-ND1 3.56Å; F87-H102 HydrophobicContact CG-CB 3.97Å; F87-H102 AromaticContact CG-CD2 3.86Å; F87-H102 AromaticContact CG-CE1 3.87Å; F87-H102 AromaticContact CG-CG 3.53Å; F87-H102 AromaticContact CG-ND1 3.54Å; F87-H102 HydrophobicContact CZ-CB 3.99Å; F87-P103 HydrophobicContact CE1-CG 4.14Å; F87-P103 WeakPolarHBondContact CE1-O 3.38Å; F87-P103 WeakPolarHBondContact CZ-O 3.42Å
88I81.1Confident74.9Confident114 Ų114103.8 Ų103.859%0.58552%0.52SS*.THydrogen-bonded Turntrans-54.7-30171-62.9170.5000111.2V83 C84V83-I88 HydrophobicContact CG1-CD1 3.78Å; V83-I88 HydrophobicContact CG1-CG1 3.98Å; C84-I88 PolarHBondContact O-N 3.23Å; C84-I88 VanDerWaalsContact O-N 3.11Å
89R79.3Confident76.8Confident148 Ų148107.5 Ų107.556%0.55852%0.523SS*.THydrogen-bonded Turntrans-94.69.2176.3-61.5-173.7-169.299.5-7.6114.3R85 F87 V91R85-R89 PolarHBondContact O-NH1 3.42Å; F87-R89 PolarHBondContact O-N 3.03Å; F87-R89 VanDerWaalsContact O-N 3.11Å; R89-V91 HydrophobicContact CB-CG2 4.19Å; R89-V91 PolarHBondContact O-N 3.03Å; R89-V91 VanDerWaalsContact O-N 3.11Å
90N70.3Confident78.7Confident128 Ų128107.2 Ų107.268%0.68450%0.503SS*.THydrogen-bonded Turntrans56.817.8-177.5-61-41.7000116D86 F87D86-N90 PolarHBondContact O-N 3.42Å; F87-N90 WeakPolarHBondContact O-CA 3.45Å; F87-N90 PolarHBondContact O-N 3.27Å
91V83.5Confident80.2Confident96 Ų96108.5 Ų108.558%0.58250%0.503SS*.  trans-99.8-9.2179.2-64.30000113.8D86 R89 K93D86-V91 HydrophobicContact CB-CG2 4.04Å; D86-V91 VanDerWaalsContact O-CG2 3.27Å; D86-V91 WeakPolarHBondContact O-CG2 3.47Å; D86-V91 PolarHBondContact O-N 2.87Å; R89-V91 HydrophobicContact CB-CG2 4.19Å; R89-V91 PolarHBondContact O-N 3.03Å; R89-V91 VanDerWaalsContact O-N 3.11Å; V91-K93 PolarHBondContact O-N 3.48Å
92C84.5Confident81.4Confident18 Ų18102.7 Ų102.712%0.12247%0.471CS..  trans-74.590.8-178.3-162.70000113.9C84 D86 F87 R94 H102C84-C92 VanDerWaalsContact SG-SG 3.64Å; D86-C92 HydrophobicContact CB-CB 3.65Å; D86-C92 PolarHBondContact O-N 3.01Å; D86-C92 VanDerWaalsContact O-N 3.07Å; F87-C92 HydrophobicContact CB-CB 3.93Å; C92-R94 PolarHBondContact O-N 2.84Å; C92-H102 PolarHBondContact SG-CE1 3.32Å; C92-H102 PolarHBondContact SG-NE2 3.32Å
93K84.6Confident81.3Confident213 Ų213103.1 Ų103.193%0.92647%0.467SS*.THydrogen-bonded Turntrans-65.1-1.1173.7-58.8-176.3-177.9-179.40114.9V91V91-K93 PolarHBondContact O-N 3.48Å
94R83.6Confident80.2Confident121 Ų121104.8 Ų104.846%0.45747%0.474SS..THydrogen-bonded Turntrans-79-20-175.6-60.3-178.2-99.1-152.7-3.6113.8D86 C92 R97 C98D86-R94 IonicContact OD2-CZ 3.61Å; D86-R94 IonicContact OD2-NH2 3.85Å; D86-R94 PolarHBondContact OD2-NH2 3.25Å; C92-R94 PolarHBondContact O-N 2.84Å; R94-R97 PolarHBondContact O-N 2.85Å; R94-C98 HydrophobicContact CB-CB 3.92Å
95G75.5Confident78.7Confident33 Ų33113 Ų11334%0.3451%0.511SS..G310 helixtrans54.2-146.3-177.800000112.8R97 C98 H102G95-R97 PolarHBondContact O-N 3.28Å; G95-C98 WeakPolarHBondContact O-CB 3.28Å; G95-C98 PolarHBondContact O-N 2.91Å; G95-C98 VanDerWaalsContact O-N 3.13Å; G95-H102 PolarHBondContact O-CE1 3.48Å; G95-H102 VanDerWaalsContact O-CE1 3.25Å; G95-H102 PolarHBondContact O-ND1 2.87Å
96K76.7Confident77.1Confident164 Ų164112 Ų11271%0.71352%0.518SS*.G310 helixtrans-66.51.8179.3-53-157.6-178.2-152.50114.9D104K96-D104 VanDerWaalsContact CE-OD1 3.31Å; K96-D104 WeakPolarHBondContact CE-OD1 3.36Å; K96-D104 IonicContact NZ-OD1 3.33Å; K96-D104 PolarHBondContact NZ-OD1 3.05Å; K96-D104 IonicContact NZ-OD2 3.02Å; K96-D104 PolarHBondContact NZ-OD2 3.41Å
97R77.2Confident75.4Confident232 Ų232116.8 Ų116.888%0.87554%0.538SS*.G310 helixtrans-99.514.4172.7-59.7-176.1-65-174.7-1.3113.1R94 G95R94-R97 PolarHBondContact O-N 2.85Å; G95-R97 PolarHBondContact O-N 3.28Å
98C86.1Confident73.8Confident21 Ų21118.8 Ų118.814%0.14255%0.554CS.*  trans-75.1144.6175.6-165.20000111.7C84 R94 G95 F100 H102C84-C98 PolarHBondContact SG-SG 3.26Å; R94-C98 HydrophobicContact CB-CB 3.92Å; G95-C98 WeakPolarHBondContact O-CB 3.28Å; G95-C98 PolarHBondContact O-N 2.91Å; G95-C98 VanDerWaalsContact O-N 3.13Å; C98-F100 WeakPolarHBondContact CB-O 3.49Å; C98-F100 PolarHBondContact O-N 3.12Å; C98-H102 WeakPolarHBondContact CB-NE2 3.35Å; C98-H102 PolarHBondContact SG-NE2 3.4Å
99R84.9Confident72.2Confident229 Ų229117.6 Ų117.686%0.86455%0.554SS**SBendtrans-64.2-22.3173.8179.5174.2175.9-179.3-0.8113.2
100F84.6Confident70.5Confident100 Ų100117.3 Ų117.344%0.43956%0.563SS.*SBendtrans-111.9144.5179-56.2-82.9000109.1C84 C98 H102C84-F100 HydrophobicContact CB-CB 3.71Å; C98-F100 WeakPolarHBondContact CB-O 3.49Å; C98-F100 PolarHBondContact O-N 3.12Å; F100-H102 PolarHBondContact O-CD2 3.49Å; F100-H102 PolarHBondContact O-N 2.88Å
101K82.8Confident69.2Low162 Ų162118.5 Ų118.570%0.70457%0.569SS**BIsolated β-bridgetrans-58.1135.9-175.1-65.3-175.3177.4-176.40111.2G82 V83 C84G82-K101 WeakPolarHBondContact O-CB 3.36Å; G82-K101 PolarHBondContact O-N 3.48Å; V83-K101 CarbonylContact C-O 3.58Å; V83-K101 WeakPolarHBondContact CA-O 3.31Å; C84-K101 PolarHBondContact N-O 3.34Å
102H83.2Confident67.1Low30 Ų30117.5 Ų117.514%0.13958%0.578CS.*  trans-104.6105.1164.5-72.2-157.3000106.1C84 F87 C92 G95 C98 F100 D104C84-H102 VanDerWaalsContact CB-CD2 3.42Å; C84-H102 WeakPolarHBondContact CB-CD2 3.3Å; F87-H102 HydrophobicContact CD1-CB 3.91Å; F87-H102 AromaticContact CD1-CG 3.98Å; F87-H102 HydrophobicContact CD2-CB 4.07Å; F87-H102 AromaticContact CD2-CE1 3.54Å; F87-H102 AromaticContact CD2-CG 3.57Å; F87-H102 AromaticContact CD2-ND1 3.1Å; F87-H102 WeakPolarHBondContact CD2-ND1 3.34Å; F87-H102 HydrophobicContact CE1-CB 3.93Å; F87-H102 HydrophobicContact CE2-CB 4.07Å; F87-H102 AromaticContact CE2-ND1 3.56Å; F87-H102 HydrophobicContact CG-CB 3.97Å; F87-H102 AromaticContact CG-CD2 3.86Å; F87-H102 AromaticContact CG-CE1 3.87Å; F87-H102 AromaticContact CG-CG 3.53Å; F87-H102 AromaticContact CG-ND1 3.54Å; F87-H102 HydrophobicContact CZ-CB 3.99Å; C92-H102 PolarHBondContact SG-CE1 3.32Å; C92-H102 PolarHBondContact SG-NE2 3.32Å; G95-H102 PolarHBondContact O-CE1 3.48Å; G95-H102 VanDerWaalsContact O-CE1 3.25Å; G95-H102 PolarHBondContact O-ND1 2.87Å; C98-H102 WeakPolarHBondContact CB-NE2 3.35Å; C98-H102 PolarHBondContact SG-NE2 3.4Å; F100-H102 PolarHBondContact O-CD2 3.49Å; F100-H102 PolarHBondContact O-N 2.88Å; H102-D104 PolarHBondContact O-N 3.16Å
103P72.9Confident64.9Low45 Ų45122.3 Ų122.329%0.29261%0.607SS.*  trans-61.6123.4170.224.2-32.1000108.6V83 F87 V108V83-P103 HydrophobicContact CG1-CG 4.19Å; F87-P103 HydrophobicContact CE1-CG 4.14Å; F87-P103 WeakPolarHBondContact CE1-O 3.38Å; F87-P103 WeakPolarHBondContact CZ-O 3.42Å; P103-V108 HydrophobicContact CB-CG2 3.77Å; P103-V108 HydrophobicContact CG-CG2 4.5Å
104D59.6Low63Low73 Ų73119.3 Ų119.339%0.3960%0.596SS.*  trans-63.4141.2171.3-77.3-63.6000108.7K96 H102 N106 E107K96-D104 VanDerWaalsContact CE-OD1 3.31Å; K96-D104 WeakPolarHBondContact CE-OD1 3.36Å; K96-D104 IonicContact NZ-OD1 3.33Å; K96-D104 PolarHBondContact NZ-OD1 3.05Å; K96-D104 IonicContact NZ-OD2 3.02Å; K96-D104 PolarHBondContact NZ-OD2 3.41Å; H102-D104 PolarHBondContact O-N 3.16Å; D104-N106 PolarHBondContact O-N 2.75Å; D104-E107 PolarHBondContact O-N 3Å
105F50.7Low61.1Low175 Ų175121 Ų12177%0.76861%0.607SS**THydrogen-bonded Turntrans-62.4-4.3-167.4-117.3-90000115.5
106N51.6Low60Low151 Ų151123.8 Ų123.881%0.80761%0.614SS**THydrogen-bonded Turntrans-105-10.8177.3-65.52.7000113.3D104D104-N106 PolarHBondContact O-N 2.75Å
107E47.8Very low59.4Low156 Ų156124.1 Ų124.173%0.72962%0.617SS**SBendtrans-109.130.9-173.6-67.7-171.9176.400113.3D104D104-E107 PolarHBondContact O-N 3Å
108V49.8Very low58.9Low86 Ų86115.8 Ų115.852%0.52159%0.588SS.*  trans-133.892.4162.2-173.10000110.8P103P103-V108 HydrophobicContact CB-CG2 3.77Å; P103-V108 HydrophobicContact CG-CG2 4.5Å
109P47.3Very low58.6Low88 Ų88120 Ų12057%0.57161%0.608SS**  trans-132.820.2164.739.1-24.7000115.6Q114P109-Q114 PolarHBondContact O-NE2 3.27Å
110D43.5Very low58.5Low143 Ų143109.4 Ų109.477%0.76557%0.568SS**SBendtrans-135.831.4-179.8-149.726.7000116.3
111L43.8Very low58.5Low153 Ų153104.7 Ų104.780%0.80155%0.548SS*.SBendtrans-130.978.8165.9-72.7176.9000110.6V113L111-V113 PolarHBondContact O-N 3.35Å
112G37.6Very low58.5Low75 Ų75102.4 Ų102.477%0.77354%0.539SS*.SBendtrans74.3-20.8166.500000117.9Q114G112-Q114 PolarHBondContact O-N 3.04Å
113V39.7Very low58.5Low119 Ų119104.6 Ų104.672%0.72155%0.552SS**THydrogen-bonded Turntrans-79.858.7-175.9-162.10000112.6L111L111-V113 PolarHBondContact O-N 3.35Å
114Q44.5Very low59Low149 Ų149106 Ų10670%0.69655%0.552SS**THydrogen-bonded Turntrans-126.85.4173.2-66.1-166.521.600114.3P109 G112P109-Q114 PolarHBondContact O-NE2 3.27Å; G112-Q114 PolarHBondContact O-N 3.04Å
115K43.7Very low60.1Low158 Ų158105.2 Ų105.269%0.68755%0.546SS*.SBendtrans-134.6-8.1-175.9-67.4-165.7175.8-171.70117.7Y147K115-Y147 PolarHBondContact O-OH 2.85Å
116N52.3Low61.5Low91 Ų91102.5 Ų102.549%0.48754%0.539SS..  trans-137.169.6-167.8-63.589000113.4
117E63.9Low62.3Low170 Ų170104.5 Ų104.579%0.79454%0.541SS*.  trans-84.3-27.8173.1-170170.4-164.200112.5I119 Y147E117-I119 PolarHBondContact O-N 3.07Å; E117-Y147 PolarHBondContact N-OH 3.17Å
118F66.6Low63.3Low58 Ų58103 Ų10325%0.25454%0.538SS..  trans-83.6107.8179.9-63.3-61.3000112.3F120 V137 Y147 L153 V161F118-F120 HydrophobicContact CB-CE2 4.3Å; F118-F120 WeakPolarHBondContact O-CD2 3.43Å; F118-V137 HydrophobicContact CB-CG2 4.13Å; F118-V137 HydrophobicContact CD1-CG2 4.16Å; F118-V137 HydrophobicContact CG-CG2 4.49Å; F118-Y147 HydrophobicContact CB-CD1 4.48Å; F118-Y147 HydrophobicContact CB-CE1 3.83Å; F118-Y147 HydrophobicContact CD2-CE1 4.44Å; F118-Y147 AromaticContact CD2-CE2 3.82Å; F118-Y147 HydrophobicContact CD2-CE2 3.82Å; F118-Y147 AromaticContact CD2-CZ 3.69Å; F118-Y147 WeakPolarHBondContact CD2-OH 2.95Å; F118-Y147 PolarHBondContact N-OH 3.36Å; F118-L153 HydrophobicContact CD1-CD1 4.07Å; F118-L153 HydrophobicContact CD2-CD1 3.48Å; F118-L153 VanDerWaalsContact CD2-CD1 3.48Å; F118-L153 HydrophobicContact CD2-CD2 4.3Å; F118-L153 HydrophobicContact CD2-CG 3.67Å; F118-L153 HydrophobicContact CE1-CD1 4.12Å; F118-L153 HydrophobicContact CE2-CD1 3.54Å; F118-L153 HydrophobicContact CE2-CG 3.99Å; F118-L153 HydrophobicContact CG-CD1 3.77Å; F118-L153 HydrophobicContact CG-CD2 4.47Å; F118-L153 HydrophobicContact CG-CG 4.21Å; F118-L153 HydrophobicContact CZ-CD1 3.87Å; F118-V161 HydrophobicContact CD1-CG1 4.49Å; F118-V161 HydrophobicContact CE1-CG1 3.77Å; F118-V161 HydrophobicContact CZ-CG1 4.37Å
119I79.6Confident65Low109 Ų10999.7 Ų99.756%0.55952%0.518SS*.  trans-88.9122.6173.1-54.8171.8000109.1E117 F136 V137E117-I119 PolarHBondContact O-N 3.07Å; I119-F136 HydrophobicContact CB-CD1 3.95Å; I119-F136 HydrophobicContact CB-CE1 4.35Å; I119-F136 HydrophobicContact CG2-CD1 3.58Å; I119-F136 HydrophobicContact CG2-CE1 3.81Å; I119-V137 PolarHBondContact O-N 2.86Å
120F82.6Confident66.5Low7 Ų7104.6 Ų104.63%0.03154%0.536CS..BIsolated β-bridgetrans-83.7156.4-178.1-76.8-110.8000112.2F118 H122 V137 D143 E144 Y147 L153 L157F118-F120 HydrophobicContact CB-CE2 4.3Å; F118-F120 WeakPolarHBondContact O-CD2 3.43Å; F120-H122 PolarHBondContact O-N 2.92Å; F120-V137 HydrophobicContact CD1-CB 4.3Å; F120-V137 HydrophobicContact CD1-CG1 4.26Å; F120-V137 HydrophobicContact CE1-CG1 4.07Å; F120-V137 HydrophobicContact CG-CB 4.34Å; F120-V137 HydrophobicContact CZ-CG1 4.37Å; F120-D143 HydrophobicContact CE1-CB 4.04Å; F120-E144 HydrophobicContact CB-CB 4.3Å; F120-E144 HydrophobicContact CB-CG 4.05Å; F120-E144 WeakPolarHBondContact CB-OE2 3.35Å; F120-E144 HydrophobicContact CD1-CB 3.68Å; F120-E144 HydrophobicContact CD1-CG 4.19Å; F120-E144 HydrophobicContact CD2-CB 4.03Å; F120-E144 HydrophobicContact CD2-CG 3.64Å; F120-E144 HydrophobicContact CE1-CB 3.92Å; F120-E144 HydrophobicContact CE2-CB 4.27Å; F120-E144 HydrophobicContact CE2-CG 4.11Å; F120-E144 HydrophobicContact CG-CB 3.73Å; F120-E144 HydrophobicContact CG-CG 3.69Å; F120-E144 HydrophobicContact CZ-CB 4.21Å; F120-Y147 AromaticContact CE2-CD1 3.62Å; F120-Y147 HydrophobicContact CE2-CD1 3.62Å; F120-Y147 HydrophobicContact CE2-CE1 4.37Å; F120-Y147 HydrophobicContact CE2-CG 4.07Å; F120-Y147 HydrophobicContact CZ-CD1 4.34Å; F120-Y147 HydrophobicContact CZ-CG 4.35Å; F120-L153 HydrophobicContact CE2-CD2 4.33Å; F120-L153 HydrophobicContact CZ-CD2 3.78Å; F120-L157 HydrophobicContact CE1-CD1 3.84Å; F120-L157 HydrophobicContact CZ-CD1 4.31Å
121C84.9Confident68.2Low1 Ų1104.1 Ų104.11%0.00752%0.523CS..  trans-89.799.7-174.6-169.90000111.3D123 Y124 Q125 F136 V137C121-D123 PolarHBondContact O-N 2.93Å; C121-Y124 WeakPolarHBondContact O-CB 3.3Å; C121-Y124 PolarHBondContact O-N 3.25Å; C121-Q125 PolarHBondContact O-N 2.97Å; C121-Q125 VanDerWaalsContact O-N 3.07Å; C121-F136 HydrophobicContact CB-CB 3.62Å; C121-V137 WeakPolarHBondContact CB-O 3.34Å; C121-V137 PolarHBondContact N-O 2.59Å
122H83.1Confident69.3Low114 Ų114101.6 Ų101.653%0.52852%0.518SS..Hα-helixtrans-57.5-36176.2-67.1-165.3000112.2F120 Y124 Q125 N126F120-H122 PolarHBondContact O-N 2.92Å; H122-Y124 VanDerWaalsContact C-N 3.3Å; H122-Y124 PolarHBondContact O-N 2.83Å; H122-Q125 PolarHBondContact O-N 3.37Å; H122-N126 WeakPolarHBondContact O-CB 3.09Å; H122-N126 PolarHBondContact O-N 3.48Å; H122-N126 PolarHBondContact O-ND2 3.02Å
123D83.5Confident70.7Confident75 Ų75104.4 Ų104.440%0.40152%0.516SS..Hα-helixtrans-60.5-40.6176.4-58.5-0000111.2C121 N126 K127 C129 R131C121-D123 PolarHBondContact O-N 2.93Å; D123-N126 PolarHBondContact O-N 3.23Å; D123-K127 PolarHBondContact O-N 3Å; D123-C129 HydrophobicContact CB-CB 4.06Å; D123-R131 IonicContact OD2-CZ 3.3Å; D123-R131 VanDerWaalsContact OD2-CZ 3.3Å; D123-R131 IonicContact OD2-NH1 2.67Å; D123-R131 PolarHBondContact OD2-NH1 3.37Å; D123-R131 IonicContact OD2-NH2 3Å; D123-R131 PolarHBondContact OD2-NH2 3.4Å
124Y83.2Confident72.5Confident76 Ų7699.1 Ų99.130%0.29848%0.484SS..Hα-helixtrans-69.6-42178.3-179.8-98.5000111.8C121 H122 N126 C129 H138 G139C121-Y124 WeakPolarHBondContact O-CB 3.3Å; C121-Y124 PolarHBondContact O-N 3.25Å; H122-Y124 VanDerWaalsContact C-N 3.3Å; H122-Y124 PolarHBondContact O-N 2.83Å; Y124-N126 VanDerWaalsContact C-N 3.27Å; Y124-N126 PolarHBondContact O-N 2.79Å; Y124-C129 HydrophobicContact CD2-CB 4.36Å; Y124-H138 HydrophobicContact CD1-CB 3.96Å; Y124-H138 HydrophobicContact CD2-CB 3.83Å; Y124-H138 AromaticContact CD2-CE1 3.95Å; Y124-H138 AromaticContact CD2-CG 3.58Å; Y124-H138 AromaticContact CD2-ND1 3.3Å; Y124-H138 VanDerWaalsContact CD2-ND1 3.3Å; Y124-H138 WeakPolarHBondContact CD2-ND1 3.21Å; Y124-H138 HydrophobicContact CE1-CB 4.06Å; Y124-H138 HydrophobicContact CE2-CB 3.92Å; Y124-H138 AromaticContact CE2-ND1 3.74Å; Y124-H138 HydrophobicContact CG-CB 3.84Å; Y124-H138 AromaticContact CG-CG 3.74Å; Y124-H138 AromaticContact CG-ND1 3.94Å; Y124-G139 WeakPolarHBondContact CD1-O 3.41Å
125Q82.8Confident74Confident55 Ų55103 Ų10326%0.25749%0.492SS..Hα-helixtrans-66.7-26.6177.5-70.4171.9-15.100113.4C121 H122 S140 E144C121-Q125 PolarHBondContact O-N 2.97Å; C121-Q125 VanDerWaalsContact O-N 3.07Å; H122-Q125 PolarHBondContact O-N 3.37Å; Q125-S140 PolarHBondContact NE2-O 2.96Å; Q125-E144 PolarHBondContact NE2-OE2 3.08Å
126N80.8Confident75.7Confident118 Ų11899.7 Ų99.763%0.63148%0.478SS*.Hα-helixtrans-91.7-41.2-172.6-78.8-42.1000114.7H122 D123 Y124H122-N126 WeakPolarHBondContact O-CB 3.09Å; H122-N126 PolarHBondContact O-N 3.48Å; H122-N126 PolarHBondContact O-ND2 3.02Å; D123-N126 PolarHBondContact O-N 3.23Å; Y124-N126 VanDerWaalsContact C-N 3.27Å; Y124-N126 PolarHBondContact O-N 2.79Å
127K67.1Low77.2Confident193 Ų19396.1 Ų96.184%0.83946%0.459SS*.Hα-helixtrans-173.551.3178.2-121.2152.5-73.1-172.10114.2D123D123-K127 PolarHBondContact O-N 3Å
128D70.1Confident78.2Confident126 Ų12689.8 Ų89.867%0.67443%0.43SS*.  trans65.4132.9-175-70.9-55.9000116.3
129C83.9Confident78.9Confident16 Ų1687 Ų8711%0.10842%0.418CS..  trans-100.8103.8176175.60000110.4D123 Y124 R131 H138D123-C129 HydrophobicContact CB-CB 4.06Å; Y124-C129 HydrophobicContact CD2-CB 4.36Å; C129-R131 PolarHBondContact O-N 3.43Å; C129-H138 VanDerWaalsContact CB-CE1 3.48Å; C129-H138 WeakPolarHBondContact CB-CE1 3.35Å; C129-H138 PolarHBondContact SG-NE2 2.67Å; C129-H138 VanDerWaalsContact SG-NE2 3.36Å
130M78.9Confident79Confident190 Ų19083.8 Ų83.894%0.93641%0.405SS*.  trans-66.3-0.6178.8-58.9-171.8-6900114.8S132M130-S132 PolarHBondContact O-N 3.36Å; M130-S132 VanDerWaalsContact O-N 3.08Å
131R80.7Confident79Confident134 Ų13489.4 Ų89.451%0.50643%0.429SS..  trans-77.998.7179.9-60.8-166.9-161.783.81.4110.7D123 C129 N133 C134D123-R131 IonicContact OD2-CZ 3.3Å; D123-R131 VanDerWaalsContact OD2-CZ 3.3Å; D123-R131 IonicContact OD2-NH1 2.67Å; D123-R131 PolarHBondContact OD2-NH1 3.37Å; D123-R131 IonicContact OD2-NH2 3Å; D123-R131 PolarHBondContact OD2-NH2 3.4Å; C129-R131 PolarHBondContact O-N 3.43Å; R131-N133 PolarHBondContact O-N 3.41Å; R131-C134 HydrophobicContact CB-CB 3.94Å; R131-C134 PolarHBondContact O-N 3.21Å
132S65.4Low78.8Confident99 Ų9995.7 Ų95.769%0.69246%0.459SS*.THydrogen-bonded Turntrans-48.3-30173.159.10000113.9M130 R164M130-S132 PolarHBondContact O-N 3.36Å; M130-S132 VanDerWaalsContact O-N 3.08Å; S132-R164 VanDerWaalsContact O-CZ 3.28Å; S132-R164 PolarHBondContact O-NH1 2.74Å; S132-R164 PolarHBondContact O-NH2 3.04Å
133N67.8Low78.7Confident135 Ų13592.4 Ų92.472%0.72245%0.445SS*.THydrogen-bonded Turntrans-123.955.4171.3-73.5-35.4000112.5R131 R164R131-N133 PolarHBondContact O-N 3.41Å; N133-R164 PolarHBondContact OD1-NH1 2.88Å
134C77.4Confident78.7Confident8 Ų890.2 Ų90.25%0.05443%0.432CS..  trans-59.7139.9172.2-164.60000112.3R131 H138R131-C134 HydrophobicContact CB-CB 3.94Å; R131-C134 PolarHBondContact O-N 3.21Å; C134-H138 WeakPolarHBondContact CB-NE2 3.49Å; C134-H138 PolarHBondContact SG-NE2 3.2Å; C134-H138 VanDerWaalsContact SG-NE2 3.43Å
135R74.9Confident78.3Confident229 Ų22989 Ų8986%0.86443%0.431SS*.SBendtrans-77.2-18.8175.8177.7171.7170.776.85.6113.4
136F81.1Confident78Confident89 Ų8992.2 Ų92.239%0.3944%0.441SS..SBendtrans-104.1154.5-174.4-56.9-69.1000111.5I119 C121 H138I119-F136 HydrophobicContact CB-CD1 3.95Å; I119-F136 HydrophobicContact CB-CE1 4.35Å; I119-F136 HydrophobicContact CG2-CD1 3.58Å; I119-F136 HydrophobicContact CG2-CE1 3.81Å; C121-F136 HydrophobicContact CB-CB 3.62Å; F136-H138 PolarHBondContact O-CD2 3.11Å; F136-H138 PolarHBondContact O-N 3.15Å
137V83.6Confident77.8Confident17 Ų1787.1 Ų87.110%0.10341%0.413CS..BIsolated β-bridgetrans-71.1121.5-176.7-177.90000110.7F118 I119 F120 C121 G139 L157 V161F118-V137 HydrophobicContact CB-CG2 4.13Å; F118-V137 HydrophobicContact CD1-CG2 4.16Å; F118-V137 HydrophobicContact CG-CG2 4.49Å; I119-V137 PolarHBondContact O-N 2.86Å; F120-V137 HydrophobicContact CD1-CB 4.3Å; F120-V137 HydrophobicContact CD1-CG1 4.26Å; F120-V137 HydrophobicContact CE1-CG1 4.07Å; F120-V137 HydrophobicContact CG-CB 4.34Å; F120-V137 HydrophobicContact CZ-CG1 4.37Å; C121-V137 WeakPolarHBondContact CB-O 3.34Å; C121-V137 PolarHBondContact N-O 2.59Å; V137-G139 PolarHBondContact O-N 2.88Å; V137-G139 VanDerWaalsContact O-N 3.15Å; V137-L157 HydrophobicContact CG1-CD1 4.17Å; V137-V161 HydrophobicContact CG1-CG2 4.32Å; V137-V161 HydrophobicContact CG2-CG2 4.05Å
138H84.9Confident78.2Confident36 Ų3683 Ų8317%0.16740%0.395CS..  trans-82.782.1171.9-72.7-156.8000109.6Y124 C129 C134 F136 L157Y124-H138 HydrophobicContact CD1-CB 3.96Å; Y124-H138 HydrophobicContact CD2-CB 3.83Å; Y124-H138 AromaticContact CD2-CE1 3.95Å; Y124-H138 AromaticContact CD2-CG 3.58Å; Y124-H138 AromaticContact CD2-ND1 3.3Å; Y124-H138 VanDerWaalsContact CD2-ND1 3.3Å; Y124-H138 WeakPolarHBondContact CD2-ND1 3.21Å; Y124-H138 HydrophobicContact CE1-CB 4.06Å; Y124-H138 HydrophobicContact CE2-CB 3.92Å; Y124-H138 AromaticContact CE2-ND1 3.74Å; Y124-H138 HydrophobicContact CG-CB 3.84Å; Y124-H138 AromaticContact CG-CG 3.74Å; Y124-H138 AromaticContact CG-ND1 3.94Å; C129-H138 VanDerWaalsContact CB-CE1 3.48Å; C129-H138 WeakPolarHBondContact CB-CE1 3.35Å; C129-H138 PolarHBondContact SG-NE2 2.67Å; C129-H138 VanDerWaalsContact SG-NE2 3.36Å; C134-H138 WeakPolarHBondContact CB-NE2 3.49Å; C134-H138 PolarHBondContact SG-NE2 3.2Å; C134-H138 VanDerWaalsContact SG-NE2 3.43Å; F136-H138 PolarHBondContact O-CD2 3.11Å; F136-H138 PolarHBondContact O-N 3.15Å; H138-L157 WeakPolarHBondContact O-CD2 3.49Å
139G79.9Confident78.2Confident1 Ų185.2 Ų85.21%0.0140%0.399CS..  trans-123.2164.7168.800000110.6Y124 V137 D143Y124-G139 WeakPolarHBondContact CD1-O 3.41Å; V137-G139 PolarHBondContact O-N 2.88Å; V137-G139 VanDerWaalsContact O-N 3.15Å; G139-D143 WeakPolarHBondContact CA-OD2 3.42Å
140S82.4Confident77.5Confident40 Ų4087 Ų8728%0.2841%0.412SS..  trans-70.2177174.786.60000111.5Q125 E142 D143 E144Q125-S140 PolarHBondContact NE2-O 2.96Å; S140-E142 VanDerWaalsContact C-N 3.28Å; S140-E142 WeakPolarHBondContact CB-OE2 3.05Å; S140-E142 PolarHBondContact OG-N 3.43Å; S140-E142 PolarHBondContact OG-OE2 2.67Å; S140-D143 PolarHBondContact N-OD2 3.39Å; S140-D143 PolarHBondContact OG-N 2.97Å; S140-D143 VanDerWaalsContact OG-N 3.11Å; S140-E144 PolarHBondContact O-N 3.33Å
141K83.4Confident76.9Confident126 Ų12679.8 Ų79.855%0.54839%0.386SS..Hα-helixtrans-69.5-33.4173.8-171.3-178.6177-175.20111.1E144 D145K141-E144 PolarHBondContact O-N 2.88Å; K141-D145 WeakPolarHBondContact O-CB 3.07Å; K141-D145 PolarHBondContact O-N 2.82Å
142E80.2Confident76.4Confident133 Ų13378.9 Ų78.962%0.62139%0.388SS*.Hα-helixtrans-68.8-38.3176.5-5466.6-141.900110.9S140 Y146S140-E142 VanDerWaalsContact C-N 3.28Å; S140-E142 WeakPolarHBondContact CB-OE2 3.05Å; S140-E142 PolarHBondContact OG-N 3.43Å; S140-E142 PolarHBondContact OG-OE2 2.67Å; E142-Y146 VanDerWaalsContact O-CB 3.23Å; E142-Y146 WeakPolarHBondContact O-CB 3.48Å; E142-Y146 PolarHBondContact O-N 3.07Å
143D81.1Confident76.5Confident44 Ų4474.5 Ų74.524%0.23536%0.356CS..Hα-helixtrans-61.7-41.7170.6-73.7-45.7000111.9F120 G139 S140 Y147 L157F120-D143 HydrophobicContact CE1-CB 4.04Å; G139-D143 WeakPolarHBondContact CA-OD2 3.42Å; S140-D143 PolarHBondContact N-OD2 3.39Å; S140-D143 PolarHBondContact OG-N 2.97Å; S140-D143 VanDerWaalsContact OG-N 3.11Å; D143-Y147 WeakPolarHBondContact O-CB 3.45Å; D143-Y147 PolarHBondContact O-N 2.75Å; D143-L157 HydrophobicContact CB-CD1 3.63Å
144E82.1Confident76.5Confident29 Ų2969.2 Ų69.214%0.13633%0.329CS..Hα-helixtrans-67.5-47.3177.7-174.4-173.7149.400111.3F120 Q125 S140 K141 Y146 Y147 K148F120-E144 HydrophobicContact CB-CB 4.3Å; F120-E144 HydrophobicContact CB-CG 4.05Å; F120-E144 WeakPolarHBondContact CB-OE2 3.35Å; F120-E144 HydrophobicContact CD1-CB 3.68Å; F120-E144 HydrophobicContact CD1-CG 4.19Å; F120-E144 HydrophobicContact CD2-CB 4.03Å; F120-E144 HydrophobicContact CD2-CG 3.64Å; F120-E144 HydrophobicContact CE1-CB 3.92Å; F120-E144 HydrophobicContact CE2-CB 4.27Å; F120-E144 HydrophobicContact CE2-CG 4.11Å; F120-E144 HydrophobicContact CG-CB 3.73Å; F120-E144 HydrophobicContact CG-CG 3.69Å; F120-E144 HydrophobicContact CZ-CB 4.21Å; Q125-E144 PolarHBondContact NE2-OE2 3.08Å; S140-E144 PolarHBondContact O-N 3.33Å; K141-E144 PolarHBondContact O-N 2.88Å; E144-Y146 VanDerWaalsContact C-N 3.26Å; E144-Y146 PolarHBondContact O-N 3.17Å; E144-Y147 PolarHBondContact O-N 2.87Å; E144-K148 WeakPolarHBondContact O-CG 3.3Å; E144-K148 PolarHBondContact O-N 3.41Å; E144-K148 WeakPolarHBondContact OE1-CE 3.36Å; E144-K148 IonicContact OE1-NZ 3.34Å; E144-K148 PolarHBondContact OE1-NZ 3.31Å
145D76.4Confident75.9Confident50 Ų5073.2 Ų73.227%0.26736%0.355SS..Hα-helixtrans-70.8-22.8178.7-74.1-12.8000112.3K141 K148 K149K141-D145 WeakPolarHBondContact O-CB 3.07Å; K141-D145 PolarHBondContact O-N 2.82Å; D145-K148 WeakPolarHBondContact OD1-CD 3.37Å; D145-K148 IonicContact OD1-NZ 2.67Å; D145-K148 PolarHBondContact OD1-NZ 3.01Å; D145-K149 WeakPolarHBondContact O-CD 3.44Å; D145-K149 VanDerWaalsContact O-CE 3.23Å; D145-K149 WeakPolarHBondContact O-CE 3.39Å; D145-K149 WeakPolarHBondContact O-CG 3.41Å
146Y76.5Confident75.5Confident124 Ų12472.5 Ų72.549%0.48635%0.352SS..Hα-helixtrans-67.9-52.9164.3-179.5-92.4000110.6E142 E144 K148 K149 S150 E152 P154E142-Y146 VanDerWaalsContact O-CB 3.23Å; E142-Y146 WeakPolarHBondContact O-CB 3.48Å; E142-Y146 PolarHBondContact O-N 3.07Å; E144-Y146 VanDerWaalsContact C-N 3.26Å; E144-Y146 PolarHBondContact O-N 3.17Å; Y146-K148 VanDerWaalsContact C-N 3.3Å; Y146-K148 PolarHBondContact O-N 2.96Å; Y146-K149 WeakPolarHBondContact O-CA 3.44Å; Y146-K149 PolarHBondContact O-N 2.73Å; Y146-S150 WeakPolarHBondContact CD1-OG 3.39Å; Y146-S150 VanDerWaalsContact CE1-OG 3.28Å; Y146-S150 WeakPolarHBondContact CE1-OG 3.43Å; Y146-S150 PolarHBondContact O-N 3.41Å; Y146-S150 PolarHBondContact O-OG 3.34Å; Y146-E152 WeakPolarHBondContact CE1-O 3.32Å; Y146-P154 HydrophobicContact CD1-CG 3.88Å; Y146-P154 HydrophobicContact CE1-CG 4.22Å
147Y75.3Confident74.8Confident11 Ų1168.5 Ų68.54%0.04334%0.335CS..Hα-helixtrans-57.2-40179.2173.7-112.4000112.7K115 E117 F118 F120 D143 E144 K149 G151 L153K115-Y147 PolarHBondContact O-OH 2.85Å; E117-Y147 PolarHBondContact N-OH 3.17Å; F118-Y147 HydrophobicContact CB-CD1 4.48Å; F118-Y147 HydrophobicContact CB-CE1 3.83Å; F118-Y147 HydrophobicContact CD2-CE1 4.44Å; F118-Y147 AromaticContact CD2-CE2 3.82Å; F118-Y147 HydrophobicContact CD2-CE2 3.82Å; F118-Y147 AromaticContact CD2-CZ 3.69Å; F118-Y147 WeakPolarHBondContact CD2-OH 2.95Å; F118-Y147 PolarHBondContact N-OH 3.36Å; F120-Y147 AromaticContact CE2-CD1 3.62Å; F120-Y147 HydrophobicContact CE2-CD1 3.62Å; F120-Y147 HydrophobicContact CE2-CE1 4.37Å; F120-Y147 HydrophobicContact CE2-CG 4.07Å; F120-Y147 HydrophobicContact CZ-CD1 4.34Å; F120-Y147 HydrophobicContact CZ-CG 4.35Å; D143-Y147 WeakPolarHBondContact O-CB 3.45Å; D143-Y147 PolarHBondContact O-N 2.75Å; E144-Y147 PolarHBondContact O-N 2.87Å; Y147-K149 PolarHBondContact O-N 2.96Å; Y147-G151 VanDerWaalsContact CE2-O 3.32Å; Y147-G151 WeakPolarHBondContact CE2-O 3.41Å; Y147-G151 VanDerWaalsContact O-CA 3.3Å; Y147-G151 WeakPolarHBondContact O-CA 3.24Å; Y147-G151 PolarHBondContact O-N 3.12Å; Y147-L153 HydrophobicContact CD2-CD2 4.2Å; Y147-L153 HydrophobicContact CD2-CG 4.28Å; Y147-L153 HydrophobicContact CG-CD2 4.35Å
148K75.6Confident74.1Confident105 Ų10571.3 Ų71.346%0.45734%0.344SS..Hα-helixtrans-60.6-29.1173.2-72.2171.1-169.9148.70113.8E144 D145 Y146E144-K148 WeakPolarHBondContact O-CG 3.3Å; E144-K148 PolarHBondContact O-N 3.41Å; E144-K148 WeakPolarHBondContact OE1-CE 3.36Å; E144-K148 IonicContact OE1-NZ 3.34Å; E144-K148 PolarHBondContact OE1-NZ 3.31Å; D145-K148 WeakPolarHBondContact OD1-CD 3.37Å; D145-K148 IonicContact OD1-NZ 2.67Å; D145-K148 PolarHBondContact OD1-NZ 3.01Å; Y146-K148 VanDerWaalsContact C-N 3.3Å; Y146-K148 PolarHBondContact O-N 2.96Å
149K69.8Low73Confident174 Ų17470.8 Ų70.876%0.75735%0.348SS*.Hα-helixtrans-93.8-38.6-176.1-68.2166.2-162.5162.50112.5D145 Y146 Y147D145-K149 WeakPolarHBondContact O-CD 3.44Å; D145-K149 VanDerWaalsContact O-CE 3.23Å; D145-K149 WeakPolarHBondContact O-CE 3.39Å; D145-K149 WeakPolarHBondContact O-CG 3.41Å; Y146-K149 WeakPolarHBondContact O-CA 3.44Å; Y146-K149 PolarHBondContact O-N 2.73Å; Y147-K149 PolarHBondContact O-N 2.96Å
150S69.4Low72.2Confident54 Ų5475.9 Ų75.938%0.37837%0.37SS..Hα-helixtrans-93.9-29.7-177.664.40000113.9Y146 E152Y146-S150 WeakPolarHBondContact CD1-OG 3.39Å; Y146-S150 VanDerWaalsContact CE1-OG 3.28Å; Y146-S150 WeakPolarHBondContact CE1-OG 3.43Å; Y146-S150 PolarHBondContact O-N 3.41Å; Y146-S150 PolarHBondContact O-OG 3.34Å; S150-E152 PolarHBondContact O-N 2.87Å; S150-E152 PolarHBondContact OG-N 3.46Å; S150-E152 PolarHBondContact OG-O 2.93Å
151G67.1Low71.3Confident38 Ų3874.9 Ų74.939%0.39236%0.362SS..SBendtrans75.6-2.3-164.500000114.1Y147Y147-G151 VanDerWaalsContact CE2-O 3.32Å; Y147-G151 WeakPolarHBondContact CE2-O 3.41Å; Y147-G151 VanDerWaalsContact O-CA 3.3Å; Y147-G151 WeakPolarHBondContact O-CA 3.24Å; Y147-G151 PolarHBondContact O-N 3.12Å
152E69.9Low70.2Confident115 Ų11569 Ų6954%0.53734%0.338SS..  trans-109.1132.6-177.6-77.4-158.7-144.600112.7Y146 S150 R158Y146-E152 WeakPolarHBondContact CE1-O 3.32Å; S150-E152 PolarHBondContact O-N 2.87Å; S150-E152 PolarHBondContact OG-N 3.46Å; S150-E152 PolarHBondContact OG-O 2.93Å; E152-R158 IonicContact OE2-NH1 2.75Å
153L67.1Low69Low7 Ų766.3 Ų66.34%0.03734%0.338CS..  trans-73.8129.4168.2-82.3-177.6000110.7F118 F120 Y147 L157 R158 V161F118-L153 HydrophobicContact CD1-CD1 4.07Å; F118-L153 HydrophobicContact CD2-CD1 3.48Å; F118-L153 VanDerWaalsContact CD2-CD1 3.48Å; F118-L153 HydrophobicContact CD2-CD2 4.3Å; F118-L153 HydrophobicContact CD2-CG 3.67Å; F118-L153 HydrophobicContact CE1-CD1 4.12Å; F118-L153 HydrophobicContact CE2-CD1 3.54Å; F118-L153 HydrophobicContact CE2-CG 3.99Å; F118-L153 HydrophobicContact CG-CD1 3.77Å; F118-L153 HydrophobicContact CG-CD2 4.47Å; F118-L153 HydrophobicContact CG-CG 4.21Å; F118-L153 HydrophobicContact CZ-CD1 3.87Å; F120-L153 HydrophobicContact CE2-CD2 4.33Å; F120-L153 HydrophobicContact CZ-CD2 3.78Å; Y147-L153 HydrophobicContact CD2-CD2 4.2Å; Y147-L153 HydrophobicContact CD2-CG 4.28Å; Y147-L153 HydrophobicContact CG-CD2 4.35Å; L153-L157 HydrophobicContact CD2-CB 4.29Å; L153-L157 HydrophobicContact CD2-CD1 4.33Å; L153-R158 HydrophobicContact CB-CB 4.32Å; L153-R158 PolarHBondContact O-NH1 2.77Å; L153-V161 HydrophobicContact CD1-CG2 4.11Å
154P68.5Low67.8Low24 Ų2470.5 Ų70.516%0.15635%0.35CS..  trans-51.5144.2170.7-28.836.2000112.2Y146 R156 L157 R158Y146-P154 HydrophobicContact CD1-CG 3.88Å; Y146-P154 HydrophobicContact CE1-CG 4.22Å; P154-R156 PolarHBondContact O-N 3.01Å; P154-L157 PolarHBondContact O-N 3.28Å; P154-R158 PolarHBondContact O-N 2.87Å
155P65.3Low66.6Low92 Ų9274.2 Ų74.260%0.59737%0.371SS*.Hα-helixtrans-53.2-34.2-174.5-29.635.6000114.6L157 R158 G159P155-L157 VanDerWaalsContact C-N 3.33Å; P155-L157 PolarHBondContact O-N 3.43Å; P155-R158 PolarHBondContact O-N 3.2Å; P155-G159 PolarHBondContact O-N 3.1Å
156R64.8Low65.1Low213 Ų21374.8 Ų74.880%0.80439%0.388SS*.Hα-helixtrans-67-28.1177.3-66.5-75.7-75.8175.5-4.5113.5P154 K160P154-R156 PolarHBondContact O-N 3.01Å; R156-K160 WeakPolarHBondContact O-CG 3.46Å
157L68.1Low63.7Low6 Ų672.7 Ų72.73%0.03139%0.385CS..Hα-helixtrans-90.2-40.7173.5-60.6-169.3000111.4F120 V137 H138 D143 L153 P154 P155 G159 K160 V161F120-L157 HydrophobicContact CE1-CD1 3.84Å; F120-L157 HydrophobicContact CZ-CD1 4.31Å; V137-L157 HydrophobicContact CG1-CD1 4.17Å; H138-L157 WeakPolarHBondContact O-CD2 3.49Å; D143-L157 HydrophobicContact CB-CD1 3.63Å; L153-L157 HydrophobicContact CD2-CB 4.29Å; L153-L157 HydrophobicContact CD2-CD1 4.33Å; P154-L157 PolarHBondContact O-N 3.28Å; P155-L157 VanDerWaalsContact C-N 3.33Å; P155-L157 PolarHBondContact O-N 3.43Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.46Å; L157-K160 HydrophobicContact CD2-CD 4.29Å; L157-K160 WeakPolarHBondContact O-CB 3.16Å; L157-K160 PolarHBondContact O-N 3.37Å; L157-V161 WeakPolarHBondContact O-CG2 3.23Å; L157-V161 PolarHBondContact O-N 2.9Å
158R67.4Low61.8Low76 Ų7674.9 Ų74.929%0.28740%0.402SS..Hα-helixtrans-51-47.6173.9-179154.569.2-143.222.8111.9E152 L153 P154 P155 V161 A162 L172E152-R158 IonicContact OE2-NH1 2.75Å; L153-R158 HydrophobicContact CB-CB 4.32Å; L153-R158 PolarHBondContact O-NH1 2.77Å; P154-R158 PolarHBondContact O-N 2.87Å; P155-R158 PolarHBondContact O-N 3.2Å; R158-V161 PolarHBondContact O-N 3.33Å; R158-A162 WeakPolarHBondContact O-CB 3.23Å; R158-A162 PolarHBondContact O-N 2.94Å; R158-L172 HydrophobicContact CG-CD1 4.26Å; R158-L172 HydrophobicContact CG-CD2 3.91Å
159G61.9Low60.1Low25 Ų2575.7 Ų75.726%0.25841%0.411SS..Hα-helixtrans-63.6-40.5174.900000114.3P155 L157 A163P155-G159 PolarHBondContact O-N 3.1Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.46Å; G159-A163 VanDerWaalsContact O-CB 3.26Å; G159-A163 WeakPolarHBondContact O-CB 3.1Å; G159-A163 PolarHBondContact O-N 3.3Å
160K63.9Low59Low108 Ų10874.4 Ų74.447%0.4741%0.409SS..Hα-helixtrans-65.2-39.3176.4-72.6174.8179.1-178.60112.1R156 L157 R164R156-K160 WeakPolarHBondContact O-CG 3.46Å; L157-K160 HydrophobicContact CD2-CD 4.29Å; L157-K160 WeakPolarHBondContact O-CB 3.16Å; L157-K160 PolarHBondContact O-N 3.37Å; K160-R164 PolarHBondContact O-N 2.91Å; K160-R164 VanDerWaalsContact O-N 3.11Å
161V63.1Low57.9Low19 Ų1976.1 Ų76.112%0.11541%0.414CS..Hα-helixtrans-69.7-48.1178.1171.50000110.7F118 V137 L153 L157 R158 A163 R164 L165F118-V161 HydrophobicContact CD1-CG1 4.49Å; F118-V161 HydrophobicContact CE1-CG1 3.77Å; F118-V161 HydrophobicContact CZ-CG1 4.37Å; V137-V161 HydrophobicContact CG1-CG2 4.32Å; V137-V161 HydrophobicContact CG2-CG2 4.05Å; L153-V161 HydrophobicContact CD1-CG2 4.11Å; L157-V161 WeakPolarHBondContact O-CG2 3.23Å; L157-V161 PolarHBondContact O-N 2.9Å; R158-V161 PolarHBondContact O-N 3.33Å; V161-A163 VanDerWaalsContact C-N 3.35Å; V161-A163 PolarHBondContact O-N 3.33Å; V161-R164 PolarHBondContact O-N 3.3Å; V161-L165 HydrophobicContact CG1-CD1 3.85Å; V161-L165 WeakPolarHBondContact O-CG 3.34Å; V161-L165 PolarHBondContact O-N 3.02Å
162A59.8Low56.9Low3 Ų376.2 Ų76.23%0.02541%0.405CS..Hα-helixtrans-57.1-46.7175.400000111.8R158 R164 L165 G166 L167 L172R158-A162 WeakPolarHBondContact O-CB 3.23Å; R158-A162 PolarHBondContact O-N 2.94Å; A162-R164 PolarHBondContact O-N 2.86Å; A162-L165 PolarHBondContact O-N 2.86Å; A162-L165 VanDerWaalsContact O-N 3.16Å; A162-G166 PolarHBondContact O-N 2.95Å; A162-L167 HydrophobicContact CB-CB 4.42Å; A162-L167 PolarHBondContact O-N 2.87Å; A162-L172 HydrophobicContact CB-CD1 4.11Å
163A55.9Low55.9Low76 Ų7676.4 Ų76.463%0.62842%0.417SS*.Hα-helixtrans-61.1-38.9177.200000113.4G159 V161 G166G159-A163 VanDerWaalsContact O-CB 3.26Å; G159-A163 WeakPolarHBondContact O-CB 3.1Å; G159-A163 PolarHBondContact O-N 3.3Å; V161-A163 VanDerWaalsContact C-N 3.35Å; V161-A163 PolarHBondContact O-N 3.33Å; A163-G166 PolarHBondContact O-N 2.86Å
164R55.6Low54.8Low132 Ų13284.1 Ų84.150%0.49846%0.457SS..Hα-helixtrans-72.1-28.1174.9-78.5-161.6-176.9-78.47.5113.9S132 N133 K160 V161 A162S132-R164 VanDerWaalsContact O-CZ 3.28Å; S132-R164 PolarHBondContact O-NH1 2.74Å; S132-R164 PolarHBondContact O-NH2 3.04Å; N133-R164 PolarHBondContact OD1-NH1 2.88Å; K160-R164 PolarHBondContact O-N 2.91Å; K160-R164 VanDerWaalsContact O-N 3.11Å; V161-R164 PolarHBondContact O-N 3.3Å; A162-R164 PolarHBondContact O-N 2.86Å
165L56.3Low53.4Low107 Ų10788 Ų8856%0.5649%0.485SS*.Hα-helixtrans-84.4-14.8176.2-66.5174000113V161 A162 L167V161-L165 HydrophobicContact CG1-CD1 3.85Å; V161-L165 WeakPolarHBondContact O-CG 3.34Å; V161-L165 PolarHBondContact O-N 3.02Å; A162-L165 PolarHBondContact O-N 2.86Å; A162-L165 VanDerWaalsContact O-N 3.16Å; L165-L167 HydrophobicContact CB-CD1 3.92Å; L165-L167 HydrophobicContact CB-CG 3.95Å; L165-L167 HydrophobicContact CD1-CD1 4.09Å
166G45.1Very low52.2Low62 Ų6295.7 Ų95.764%0.63950%0.502SS*.THydrogen-bonded Turntrans75.432-17500000113A162 A163A162-G166 PolarHBondContact O-N 2.95Å; A163-G166 PolarHBondContact O-N 2.86Å
167L47.2Very low51.3Low79 Ų7989.1 Ų89.141%0.41450%0.5SS..  trans-104.3149.6178.3-63.1176.6000109.6A162 L165 D171A162-L167 HydrophobicContact CB-CB 4.42Å; A162-L167 PolarHBondContact O-N 2.87Å; L165-L167 HydrophobicContact CB-CD1 3.92Å; L165-L167 HydrophobicContact CB-CG 3.95Å; L165-L167 HydrophobicContact CD1-CD1 4.09Å; L167-D171 HydrophobicContact CB-CB 4.06Å; L167-D171 HydrophobicContact CD2-CB 4.48Å
168S35.8Very low50.5Low58 Ų5895.1 Ų95.141%0.40653%0.528SS..  trans-73.3169.1176.287.40000111.4M170 D171S168-M170 PolarHBondContact O-N 2.9Å; S168-M170 VanDerWaalsContact O-N 3.08Å; S168-M170 PolarHBondContact OG-N 2.89Å; S168-D171 WeakPolarHBondContact CA-OD2 3.37Å; S168-D171 WeakPolarHBondContact CB-OD2 3.27Å; S168-D171 PolarHBondContact N-OD2 2.94Å; S168-D171 PolarHBondContact O-N 3.46Å; S168-D171 VanDerWaalsContact OG-CG 3.24Å; S168-D171 PolarHBondContact OG-OD2 2.92Å
169L40.2Very low50.3Low121 Ų12194.8 Ų94.863%0.63454%0.535SS*.THydrogen-bonded Turntrans-63-15178.5-169.461.1000113.4
170M46.4Very low50.9Low147 Ų14797.7 Ų97.772%0.72455%0.549SS*.THydrogen-bonded Turntrans-98.9-11.5176.9-56.9-59.3125.800113.3S168 L172S168-M170 PolarHBondContact O-N 2.9Å; S168-M170 VanDerWaalsContact O-N 3.08Å; S168-M170 PolarHBondContact OG-N 2.89Å; M170-L172 VanDerWaalsContact C-N 3.33Å; M170-L172 PolarHBondContact O-N 3.41Å
171D47.4Very low51.4Low91 Ų9196 Ų9649%0.48754%0.544SS..  trans-94.142-173.2-58.7-50.6000113.1L167 S168L167-D171 HydrophobicContact CB-CB 4.06Å; L167-D171 HydrophobicContact CD2-CB 4.48Å; S168-D171 WeakPolarHBondContact CA-OD2 3.37Å; S168-D171 WeakPolarHBondContact CB-OD2 3.27Å; S168-D171 PolarHBondContact N-OD2 2.94Å; S168-D171 PolarHBondContact O-N 3.46Å; S168-D171 VanDerWaalsContact OG-CG 3.24Å; S168-D171 PolarHBondContact OG-OD2 2.92Å
172L45.8Very low52.2Low39 Ų3995.1 Ų95.120%0.20454%0.539CS..SBendtrans-96.8148.6154.4-102.881.5000109.1R158 A162 M170 L174R158-L172 HydrophobicContact CG-CD1 4.26Å; R158-L172 HydrophobicContact CG-CD2 3.91Å; A162-L172 HydrophobicContact CB-CD1 4.11Å; M170-L172 VanDerWaalsContact C-N 3.33Å; M170-L172 PolarHBondContact O-N 3.41Å; L172-L174 PolarHBondContact O-N 3.05Å
173P48.3Very low53.1Low120 Ų120103.9 Ų103.978%0.77957%0.571SS**  trans-73.895-147.827.1-36.7000114.4S175P173-S175 VanDerWaalsContact C-N 3.28Å
174L44.1Very low54.1Low168 Ų168103 Ų10388%0.8856%0.556SS**SBendtrans-80.4-3167.9-112.272.6000113.9L172L172-L174 PolarHBondContact O-N 3.05Å
175S39.6Very low55.4Low106 Ų106100.1 Ų100.174%0.74155%0.547SS*.SBendtrans-152.8148.1170.4-84.60000112.9P173P173-S175 VanDerWaalsContact C-N 3.28Å
176R38.5Very low56.5Low254 Ų254100.6 Ų100.696%0.95855%0.55SS*.SBendtrans-68.1132.4-177.1-71.9172.6167.3164.3-6.4111.6E178R176-E178 PolarHBondContact O-N 3.32Å
177G47.4Very low58Low75 Ų75104.8 Ų104.877%0.77355%0.551SS**  trans75.813.114800000118V179G177-V179 PolarHBondContact O-N 3.39Å
178E50.4Low59.6Low132 Ų132104.3 Ų104.362%0.61757%0.565SS**PPolyproline II helixtrans-68.2122.8172-143.5-152.9-155.900110.7R176 R199R176-E178 PolarHBondContact O-N 3.32Å; E178-R199 VanDerWaalsContact CD-CZ 3.5Å; E178-R199 IonicContact OE1-CZ 2.93Å; E178-R199 IonicContact OE1-NE 2.69Å; E178-R199 PolarHBondContact OE1-NE 2.81Å; E178-R199 VanDerWaalsContact OE1-NE 3.11Å; E178-R199 IonicContact OE1-NH1 3.76Å; E178-R199 IonicContact OE1-NH2 2.67Å; E178-R199 PolarHBondContact OE1-NH2 3Å; E178-R199 IonicContact OE2-CZ 2.6Å; E178-R199 IonicContact OE2-NE 3.86Å; E178-R199 PolarHBondContact OE2-NE 3.29Å; E178-R199 IonicContact OE2-NH2 2.99Å; E178-R199 PolarHBondContact OE2-NH2 3.5Å
179V63.4Low61.6Low69 Ų69107.5 Ų107.542%0.41857%0.573SS.*PPolyproline II helixtrans-71.2126.2-175.4168.10000109.8G177 K197 R199G177-V179 PolarHBondContact O-N 3.39Å; V179-K197 WeakPolarHBondContact CG1-O 3.36Å; V179-R199 VanDerWaalsContact O-CB 3.29Å; V179-R199 WeakPolarHBondContact O-CB 3.44Å
180P74.3Confident63.7Low86 Ų86102.5 Ų102.556%0.55855%0.548SS*.PPolyproline II helixtrans-61.5149.9-175.219.5-29.3000112.9F198 R199P180-F198 HydrophobicContact CG-CD1 4.06Å; P180-F198 HydrophobicContact CG-CE1 4.22Å; P180-F198 CarbonylContact O-C 3.51Å; P180-F198 VanDerWaalsContact O-CA 3.3Å; P180-F198 WeakPolarHBondContact O-CA 3.46Å; P180-F198 WeakPolarHBondContact O-CB 3.43Å; P180-R199 PolarHBondContact O-N 2.85Å
181I74.5Confident65.4Low72 Ų72104.9 Ų104.937%0.36956%0.557SS.*BIsolated β-bridgetrans-68.2138.1-173.4-56.1175.3000110.9R183 L186 R199 V201I181-R183 PolarHBondContact O-N 2.92Å; I181-R183 VanDerWaalsContact O-N 3.16Å; I181-L186 HydrophobicContact CG2-CD1 3.71Å; I181-L186 HydrophobicContact CG2-CD2 4.23Å; I181-L186 HydrophobicContact CG2-CG 3.91Å; I181-R199 WeakPolarHBondContact CA-O 3.48Å; I181-R199 WeakPolarHBondContact CG2-O 3.46Å; I181-V201 HydrophobicContact CD1-CG2 4.09Å; I181-V201 HydrophobicContact CG1-CG2 4.26Å; I181-V201 HydrophobicContact CG2-CG2 4.31Å
182C80.9Confident67Low1 Ų1105.6 Ų105.61%0.00755%0.553CS.*  trans-70.8107.5-177.7-173.30000111.8D184 F185 L186 R192 F198 R199 H200C182-D184 PolarHBondContact O-N 3.03Å; C182-F185 HydrophobicContact CB-CB 3.69Å; C182-F185 PolarHBondContact O-N 2.92Å; C182-F185 PolarHBondContact SG-N 2.9Å; C182-F185 VanDerWaalsContact SG-N 3.44Å; C182-L186 PolarHBondContact O-N 3.4Å; C182-R192 PolarHBondContact SG-NH2 3.29Å; C182-F198 HydrophobicContact CB-CB 3.48Å; C182-F198 VanDerWaalsContact CB-CB 3.48Å; C182-R199 PolarHBondContact N-O 3.06Å; C182-H200 WeakPolarHBondContact CB-CD2 3.45Å; C182-H200 PolarHBondContact SG-NE2 3.32Å
183R77.3Confident68.3Low186 Ų186105.1 Ų105.170%0.70256%0.558SS**Hα-helixtrans-55.8-36.4174.9-69.5-175.7175.7-177.5-1.3112.5I181 F185 K187I181-R183 PolarHBondContact O-N 2.92Å; I181-R183 VanDerWaalsContact O-N 3.16Å; R183-F185 VanDerWaalsContact C-N 3.34Å; R183-K187 WeakPolarHBondContact O-CG 3.49Å; R183-K187 PolarHBondContact O-N 3.34Å
184D78.3Confident69.5Low59 Ų59107.7 Ų107.732%0.31657%0.565SS.*Hα-helixtrans-71.2-30.9178.8-45.5-14.7000111.4C182 K187 G188 E189 C190 R192C182-D184 PolarHBondContact O-N 3.03Å; D184-K187 PolarHBondContact O-N 2.91Å; D184-G188 PolarHBondContact O-N 2.98Å; D184-E189 PolarHBondContact O-N 2.92Å; D184-C190 HydrophobicContact CB-CB 3.86Å; D184-C190 PolarHBondContact O-N 3.38Å; D184-R192 IonicContact OD2-CZ 2.7Å; D184-R192 IonicContact OD2-NH1 3.72Å; D184-R192 PolarHBondContact OD2-NH1 3.3Å; D184-R192 IonicContact OD2-NH2 3.11Å; D184-R192 PolarHBondContact OD2-NH2 3.45Å
185F81.9Confident71Confident70 Ų70109.2 Ų109.231%0.30757%0.565SS.*Hα-helixtrans-79.4-35.6178.8-172.6-101.4000111.7C182 R183 K187 G188 C190 H200 V201C182-F185 HydrophobicContact CB-CB 3.69Å; C182-F185 PolarHBondContact O-N 2.92Å; C182-F185 PolarHBondContact SG-N 2.9Å; C182-F185 VanDerWaalsContact SG-N 3.44Å; R183-F185 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 3.07Å; F185-K187 VanDerWaalsContact O-N 3.13Å; F185-G188 PolarHBondContact O-N 3.11Å; F185-C190 HydrophobicContact CB-CB 3.8Å; F185-C190 HydrophobicContact CD2-CB 4.19Å; F185-H200 HydrophobicContact CD1-CB 3.71Å; F185-H200 AromaticContact CD1-CG 3.84Å; F185-H200 HydrophobicContact CD2-CB 4.17Å; F185-H200 AromaticContact CD2-CE1 3.46Å; F185-H200 VanDerWaalsContact CD2-CE1 3.46Å; F185-H200 WeakPolarHBondContact CD2-CE1 3.28Å; F185-H200 AromaticContact CD2-CG 3.58Å; F185-H200 AromaticContact CD2-ND1 3.21Å; F185-H200 WeakPolarHBondContact CD2-ND1 3.48Å; F185-H200 AromaticContact CD2-NE2 3.94Å; F185-H200 HydrophobicContact CE1-CB 3.73Å; F185-H200 HydrophobicContact CE2-CB 4.18Å; F185-H200 AromaticContact CE2-CG 3.96Å; F185-H200 AromaticContact CE2-ND1 3.5Å; F185-H200 WeakPolarHBondContact CE2-ND1 3.3Å; F185-H200 HydrophobicContact CG-CB 3.93Å; F185-H200 AromaticContact CG-CD2 3.67Å; F185-H200 AromaticContact CG-CE1 3.89Å; F185-H200 AromaticContact CG-CG 3.5Å; F185-H200 VanDerWaalsContact CG-CG 3.5Å; F185-H200 AromaticContact CG-ND1 3.66Å; F185-H200 AromaticContact CG-NE2 3.91Å; F185-H200 HydrophobicContact CZ-CB 3.97Å; F185-V201 WeakPolarHBondContact CE1-O 3.45Å
186L80.6Confident72.9Confident117 Ų117105.2 Ų105.261%0.61354%0.537SS*.Hα-helixtrans-59.2-19.5170.4-73167.9000113.1I181 C182I181-L186 HydrophobicContact CG2-CD1 3.71Å; I181-L186 HydrophobicContact CG2-CD2 4.23Å; I181-L186 HydrophobicContact CG2-CG 3.91Å; C182-L186 PolarHBondContact O-N 3.4Å
187K76.2Confident74.8Confident151 Ų151101.8 Ų101.866%0.65753%0.529SS*.THydrogen-bonded Turntrans-97.2-8.8172.4-64.8-179.4178.2-173.20114.7R183 D184 F185 E189R183-K187 WeakPolarHBondContact O-CG 3.49Å; R183-K187 PolarHBondContact O-N 3.34Å; D184-K187 PolarHBondContact O-N 2.91Å; F185-K187 PolarHBondContact O-N 3.07Å; F185-K187 VanDerWaalsContact O-N 3.13Å; K187-E189 VanDerWaalsContact C-N 3.32Å; K187-E189 HydrophobicContact CB-CG 4.01Å; K187-E189 WeakPolarHBondContact CD-OE2 3.5Å; K187-E189 IonicContact NZ-OE2 3.93Å
188G79.4Confident76.3Confident69 Ų69102.5 Ų102.571%0.71151%0.511SS*.THydrogen-bonded Turntrans81.21.8-171.600000115.4D184 F185D184-G188 PolarHBondContact O-N 2.98Å; F185-G188 PolarHBondContact O-N 3.11Å
189E79.2Confident77.6Confident124 Ų124100.8 Ų100.858%0.57950%0.498SS*.  trans-93.1-2.8-171.4-59.3177.9127.200113.8D184 K187 Q191D184-E189 PolarHBondContact O-N 2.92Å; K187-E189 VanDerWaalsContact C-N 3.32Å; K187-E189 HydrophobicContact CB-CG 4.01Å; K187-E189 WeakPolarHBondContact CD-OE2 3.5Å; K187-E189 IonicContact NZ-OE2 3.93Å; E189-Q191 PolarHBondContact O-N 3.2Å
190C83.6Confident78.5Confident16 Ų1699.6 Ų99.611%0.10849%0.488CS..  trans-76.888.5-172.1-167.90000114.3D184 F185 R192 G193 H200D184-C190 HydrophobicContact CB-CB 3.86Å; D184-C190 PolarHBondContact O-N 3.38Å; F185-C190 HydrophobicContact CB-CB 3.8Å; F185-C190 HydrophobicContact CD2-CB 4.19Å; C190-R192 PolarHBondContact O-N 2.84Å; C190-G193 PolarHBondContact O-N 3.11Å; C190-H200 PolarHBondContact SG-CE1 3.4Å; C190-H200 PolarHBondContact SG-NE2 3.19Å
191Q81.6Confident78.4Confident197 Ų19798.4 Ų98.492%0.92148%0.479SS*.THydrogen-bonded Turntrans-57.7-10.6171.9-60.9177.40.500114.9E189E189-Q191 PolarHBondContact O-N 3.2Å
192R81.7Confident77.8Confident106 Ų106102 Ų10240%0.449%0.492SS..THydrogen-bonded Turntrans-81.7-14.3-177-56.8-179.1-64-93.7-0.8113.8C182 D184 C190 K195 C196C182-R192 PolarHBondContact SG-NH2 3.29Å; D184-R192 IonicContact OD2-CZ 2.7Å; D184-R192 IonicContact OD2-NH1 3.72Å; D184-R192 PolarHBondContact OD2-NH1 3.3Å; D184-R192 IonicContact OD2-NH2 3.11Å; D184-R192 PolarHBondContact OD2-NH2 3.45Å; C190-R192 PolarHBondContact O-N 2.84Å; R192-K195 WeakPolarHBondContact O-CB 3.43Å; R192-K195 PolarHBondContact O-N 2.95Å; R192-C196 HydrophobicContact CB-CB 3.88Å; R192-C196 PolarHBondContact NE-SG 2.67Å; R192-C196 PolarHBondContact NH2-SG 3.11Å; R192-C196 VanDerWaalsContact NH2-SG 3.45Å; R192-C196 PolarHBondContact O-N 3.23Å
193G74.3Confident76.4Confident30 Ų30110.8 Ų110.831%0.30953%0.53SS..G310 helixtrans48.3-141.1177.900000113.5C190 K195 C196 H200C190-G193 PolarHBondContact O-N 3.11Å; G193-K195 PolarHBondContact O-N 3.47Å; G193-C196 VanDerWaalsContact O-CB 3.26Å; G193-C196 WeakPolarHBondContact O-CB 3.43Å; G193-C196 PolarHBondContact O-N 3.49Å; G193-C196 VanDerWaalsContact O-N 3.09Å; G193-H200 PolarHBondContact O-CE1 2.95Å; G193-H200 PolarHBondContact O-ND1 2.84Å
194N72.7Confident74.7Confident173 Ų173107 Ų10793%0.92552%0.524SS*.G310 helixtrans-69.2-0.5179.5-62.24.6000114.1
195K76.5Confident73.3Confident201 Ų201114.1 Ų114.187%0.87455%0.548SS*.G310 helixtrans-96.96.4172.8-59.6176.9-176.4-710112.3R192 G193R192-K195 WeakPolarHBondContact O-CB 3.43Å; R192-K195 PolarHBondContact O-N 2.95Å; G193-K195 PolarHBondContact O-N 3.47Å
196C79.2Confident71.2Confident22 Ų22119.6 Ų119.615%0.14958%0.575CS.*  trans-69.6136.7179.7-167.40000112.1R192 G193 F198 H200R192-C196 HydrophobicContact CB-CB 3.88Å; R192-C196 PolarHBondContact NE-SG 2.67Å; R192-C196 PolarHBondContact NH2-SG 3.11Å; R192-C196 VanDerWaalsContact NH2-SG 3.45Å; R192-C196 PolarHBondContact O-N 3.23Å; G193-C196 VanDerWaalsContact O-CB 3.26Å; G193-C196 WeakPolarHBondContact O-CB 3.43Å; G193-C196 PolarHBondContact O-N 3.49Å; G193-C196 VanDerWaalsContact O-N 3.09Å; C196-F198 PolarHBondContact O-N 3.1Å; C196-H200 WeakPolarHBondContact CB-NE2 3.33Å; C196-H200 PolarHBondContact SG-NE2 2.89Å; C196-H200 VanDerWaalsContact SG-NE2 3.36Å
197K77.3Confident69.4Low181 Ų181124 Ų12479%0.78758%0.584SS**SBendtrans-71.29.1171.6-157.6-166.8165.6177.30113.4V179V179-K197 WeakPolarHBondContact CG1-O 3.36Å
198F79.8Confident67.2Low90 Ų90123.2 Ų123.240%0.39558%0.583SS.*SBendtrans-136.3139.8-175.2-62.7-73.3000109.5P180 C182 C196 H200P180-F198 HydrophobicContact CG-CD1 4.06Å; P180-F198 HydrophobicContact CG-CE1 4.22Å; P180-F198 CarbonylContact O-C 3.51Å; P180-F198 VanDerWaalsContact O-CA 3.3Å; P180-F198 WeakPolarHBondContact O-CA 3.46Å; P180-F198 WeakPolarHBondContact O-CB 3.43Å; C182-F198 HydrophobicContact CB-CB 3.48Å; C182-F198 VanDerWaalsContact CB-CB 3.48Å; C196-F198 PolarHBondContact O-N 3.1Å; F198-H200 PolarHBondContact O-CD2 3.44Å; F198-H200 PolarHBondContact O-N 3.08Å
199R78.1Confident65.6Low96 Ų96123.7 Ų123.736%0.36257%0.574SS.*BIsolated β-bridgetrans-65.6131.5-170.6-174.4160.768.2100.5-13.2111.2E178 V179 P180 I181 C182 V201E178-R199 VanDerWaalsContact CD-CZ 3.5Å; E178-R199 IonicContact OE1-CZ 2.93Å; E178-R199 IonicContact OE1-NE 2.69Å; E178-R199 PolarHBondContact OE1-NE 2.81Å; E178-R199 VanDerWaalsContact OE1-NE 3.11Å; E178-R199 IonicContact OE1-NH1 3.76Å; E178-R199 IonicContact OE1-NH2 2.67Å; E178-R199 PolarHBondContact OE1-NH2 3Å; E178-R199 IonicContact OE2-CZ 2.6Å; E178-R199 IonicContact OE2-NE 3.86Å; E178-R199 PolarHBondContact OE2-NE 3.29Å; E178-R199 IonicContact OE2-NH2 2.99Å; E178-R199 PolarHBondContact OE2-NH2 3.5Å; V179-R199 VanDerWaalsContact O-CB 3.29Å; V179-R199 WeakPolarHBondContact O-CB 3.44Å; P180-R199 PolarHBondContact O-N 2.85Å; I181-R199 WeakPolarHBondContact CA-O 3.48Å; I181-R199 WeakPolarHBondContact CG2-O 3.46Å; C182-R199 PolarHBondContact N-O 3.06Å; R199-V201 HydrophobicContact CG-CG2 4.26Å
200H82.3Confident63.7Low45 Ų45122.4 Ų122.421%0.20858%0.578CS.*  trans-99.7107.6177.3-75.9-164.4000108.9C182 F185 C190 G193 C196 F198C182-H200 WeakPolarHBondContact CB-CD2 3.45Å; C182-H200 PolarHBondContact SG-NE2 3.32Å; F185-H200 HydrophobicContact CD1-CB 3.71Å; F185-H200 AromaticContact CD1-CG 3.84Å; F185-H200 HydrophobicContact CD2-CB 4.17Å; F185-H200 AromaticContact CD2-CE1 3.46Å; F185-H200 VanDerWaalsContact CD2-CE1 3.46Å; F185-H200 WeakPolarHBondContact CD2-CE1 3.28Å; F185-H200 AromaticContact CD2-CG 3.58Å; F185-H200 AromaticContact CD2-ND1 3.21Å; F185-H200 WeakPolarHBondContact CD2-ND1 3.48Å; F185-H200 AromaticContact CD2-NE2 3.94Å; F185-H200 HydrophobicContact CE1-CB 3.73Å; F185-H200 HydrophobicContact CE2-CB 4.18Å; F185-H200 AromaticContact CE2-CG 3.96Å; F185-H200 AromaticContact CE2-ND1 3.5Å; F185-H200 WeakPolarHBondContact CE2-ND1 3.3Å; F185-H200 HydrophobicContact CG-CB 3.93Å; F185-H200 AromaticContact CG-CD2 3.67Å; F185-H200 AromaticContact CG-CE1 3.89Å; F185-H200 AromaticContact CG-CG 3.5Å; F185-H200 VanDerWaalsContact CG-CG 3.5Å; F185-H200 AromaticContact CG-ND1 3.66Å; F185-H200 AromaticContact CG-NE2 3.91Å; F185-H200 HydrophobicContact CZ-CB 3.97Å; C190-H200 PolarHBondContact SG-CE1 3.4Å; C190-H200 PolarHBondContact SG-NE2 3.19Å; G193-H200 PolarHBondContact O-CE1 2.95Å; G193-H200 PolarHBondContact O-ND1 2.84Å; C196-H200 WeakPolarHBondContact CB-NE2 3.33Å; C196-H200 PolarHBondContact SG-NE2 2.89Å; C196-H200 VanDerWaalsContact SG-NE2 3.36Å; F198-H200 PolarHBondContact O-CD2 3.44Å; F198-H200 PolarHBondContact O-N 3.08Å
201V71.8Confident61.7Low60 Ų60132.7 Ų132.736%0.36462%0.615SS.*  trans-100.9110.6175.9-175.80000107.8I181 F185 R199 K203I181-V201 HydrophobicContact CD1-CG2 4.09Å; I181-V201 HydrophobicContact CG1-CG2 4.26Å; I181-V201 HydrophobicContact CG2-CG2 4.31Å; F185-V201 WeakPolarHBondContact CE1-O 3.45Å; R199-V201 HydrophobicContact CG-CG2 4.26Å; V201-K203 PolarHBondContact O-N 2.86Å
202K61.8Low59.8Low149 Ų149128.3 Ų128.365%0.64861%0.612SS**  trans-63.2125.5179.6-167.1172.6-177.8-100.80108.5D204K202-D204 VanDerWaalsContact C-N 3.26Å; K202-D204 WeakPolarHBondContact CD-OD1 3.49Å; K202-D204 WeakPolarHBondContact CE-OD1 3.32Å; K202-D204 WeakPolarHBondContact CG-OD1 3.27Å; K202-D204 IonicContact NZ-OD1 2.61Å; K202-D204 PolarHBondContact NZ-OD1 3.48Å; K202-D204 PolarHBondContact O-N 2.83Å
203K50.3Low57.6Low185 Ų185127 Ų12780%0.80463%0.632SS**  trans-8378.1175.2-171.9-173.6175.2-173.20108.3V201 Y205V201-K203 PolarHBondContact O-N 2.86Å; K203-Y205 VanDerWaalsContact C-N 3.32Å; K203-Y205 PolarHBondContact O-N 2.99Å
204D41.6Very low56.1Low107 Ų107133 Ų13357%0.57266%0.662SS**  trans-70.287.7179.5-72-54.5000110.9K202K202-D204 VanDerWaalsContact C-N 3.26Å; K202-D204 WeakPolarHBondContact CD-OD1 3.49Å; K202-D204 WeakPolarHBondContact CE-OD1 3.32Å; K202-D204 WeakPolarHBondContact CG-OD1 3.27Å; K202-D204 IonicContact NZ-OD1 2.61Å; K202-D204 PolarHBondContact NZ-OD1 3.48Å; K202-D204 PolarHBondContact O-N 2.83Å
205Y49.4Very low54.1Low207 Ų207128.4 Ų128.481%0.81266%0.656SS**  trans-131.753.7176-113-83.5000110.5K203K203-Y205 VanDerWaalsContact C-N 3.32Å; K203-Y205 PolarHBondContact O-N 2.99Å
206E37.3Very low52Low186 Ų186122.3 Ų122.387%0.86965%0.65SS**  trans-140.398167.6-120.5162.3-147.100108.8
207Y43.8Very low50Low208 Ų208127.9 Ų127.982%0.81668%0.683SS**  trans-86.6107.4165.1168.5-96.2000106.6P209Y207-P209 HydrophobicContact CD1-CB 4.47Å; Y207-P209 HydrophobicContact CD1-CG 4.32Å; Y207-P209 HydrophobicContact CE1-CB 3.72Å; Y207-P209 HydrophobicContact CE1-CG 3.87Å; Y207-P209 WeakPolarHBondContact O-CD 3.49Å
208E30.2Very low48.2Very low135 Ų135126.3 Ų126.363%0.63169%0.688SS**  trans-107.7104.5179.4-137.9-51.4129.700109.7S210E208-S210 PolarHBondContact O-N 3.4Å; E208-S210 VanDerWaalsContact OE2-CB 3.24Å; E208-S210 WeakPolarHBondContact OE2-CB 3.39Å; E208-S210 PolarHBondContact OE2-N 2.93Å; E208-S210 VanDerWaalsContact OE2-N 3.12Å; E208-S210 PolarHBondContact OE2-OG 3.11Å
209P45.8Very low46Very low80 Ų80125 Ų12552%0.51970%0.701SS.*  trans-90.462.2-175.936.6-35.4000112.1Y207 R211Y207-P209 HydrophobicContact CD1-CB 4.47Å; Y207-P209 HydrophobicContact CD1-CG 4.32Å; Y207-P209 HydrophobicContact CE1-CB 3.72Å; Y207-P209 HydrophobicContact CE1-CG 3.87Å; Y207-P209 WeakPolarHBondContact O-CD 3.49Å; P209-R211 VanDerWaalsContact C-N 3.3Å; P209-R211 PolarHBondContact O-N 3.22Å
210S39.3Very low44Very low96 Ų96130.3 Ų130.367%0.67173%0.729SS**  trans-7377.1-179-87.70000114.6E208E208-S210 PolarHBondContact O-N 3.4Å; E208-S210 VanDerWaalsContact OE2-CB 3.24Å; E208-S210 WeakPolarHBondContact OE2-CB 3.39Å; E208-S210 PolarHBondContact OE2-N 2.93Å; E208-S210 VanDerWaalsContact OE2-N 3.12Å; E208-S210 PolarHBondContact OE2-OG 3.11Å
211R40.4Very low41.6Very low233 Ų233131.9 Ų131.988%0.87976%0.758SS**  trans55.4114.5140.2-61.8176.5177.6171.3-0.4119P209P209-R211 VanDerWaalsContact C-N 3.3Å; P209-R211 PolarHBondContact O-N 3.22Å
212A42.1Very low39.9Very low104 Ų104133.5 Ų133.586%0.8678%0.777SS**PPolyproline II helixtrans-65.6131.7151.600000110.7
213G36.5Very low38.7Very low79 Ų79134.6 Ų134.681%0.81479%0.789SS**PPolyproline II helixtrans-95.7134.2167.600000110.7
214V41.2Very low37.8Very low156 Ų156129.4 Ų129.495%0.94579%0.788SS**PPolyproline II helixtrans-91.4140.5-177.5178.60000110.8
215G30.9Very low37.5Very low77 Ų77133 Ų13379%0.79480%0.803SS**  trans142.3111.6163.400000113.3
216G33.5Very low36.9Very low73 Ų73130.3 Ų130.375%0.75381%0.808SS**  trans-128.4140.7172.800000111.5
217V37.9Very low36.9Very low138 Ų138128.9 Ų128.984%0.83681%0.806SS**  trans-156.5123.9166-96.80000109.2
218V38.3Very low37.7Very low148 Ų148125 Ų12590%0.89781%0.807SS**  trans52.1130.8157.5-166.50000118.3
219G33.8Very low37.7Very low64 Ų64122.5 Ų122.566%0.6682%0.817SS**  cis155.5170.2-2.400000112.4
220Q35.9Very low37Very low206 Ų206122.6 Ų122.696%0.96383%0.833SS**  trans72.5135.4171.8-55.7-176.9-6.800118.8
221G32.6Very low36.8Very low78 Ų78121.7 Ų121.780%0.80484%0.839SS**  trans155.3106.4176.500000112.2
222A35.6Very low36.5Very low94 Ų94120 Ų12078%0.77784%0.843SS**  trans-70.9133.7-17400000112.7
223I35.8Very low36.3Very low173 Ų173118.6 Ų118.689%0.88784%0.839SS**  53.8121.985-54.4174.1000114.3
224G31.6Very low36.2Very low76 Ų76119 Ų11978%0.78484%0.843SS**  trans162.4122.8161.500000114.7
225M35.2Very low35.8Very low182 Ų182115.3 Ų115.390%0.89784%0.836SS**  trans-107.9150165.3-53.1174-173.300108.7
226V36.7Very low35.9Very low151 Ų151115.9 Ų115.992%0.91584%0.842SS**  177.2162.2120.7-85.50000113.7
227N38.2Very low35.8Very low156 Ų156116.4 Ų116.483%0.83485%0.848SS**  trans-45.2171.8178.6-90.9-31.3000120.6
228P59.5Low35.6Very low126 Ų126113 Ų11382%0.81884%0.84SS**  trans-94.1170.2-169.138.6-38.7000115.6
229G31.4Very low35.3Very low82 Ų82112.6 Ų112.685%0.84584%0.838SS**  trans-178.9125.5162.500000117.2
230G31.6Very low35.5Very low83 Ų83115.5 Ų115.586%0.85685%0.847SS**  trans93.582.913200000122.2
231G33.5Very low35.4Very low77 Ų77109.5 Ų109.579%0.79484%0.84SS**  trans73.7175.6142.900000119.2
232M35.3Very low35.6Very low196 Ų196109.5 Ų109.597%0.96684%0.84SS**  cis-159.7149.2-13.1-152.2139.167.100111.5
233G37.8Very low35.8Very low76 Ų76112.3 Ų112.378%0.78484%0.841SS**  trans82.8141.9-179.200000113.8
234G34.1Very low35.8Very low86 Ų86112 Ų11289%0.88784%0.835SS**  cis99.1124.5500000112.5
235G33.4Very low35.8Very low79 Ų79111.3 Ų111.381%0.81483%0.828SS**  cis175.9159.6-5.100000112.6
236G32.7Very low35.9Very low89 Ų89110.3 Ų110.392%0.91883%0.826SS**  trans78.4157.4-176.400000114
237G30.8Very low35.7Very low85 Ų85109.9 Ų109.988%0.87682%0.823SS**  cis152.6130.6-4.800000111.8
238G33.2Very low35.5Very low65 Ų65106.4 Ų106.467%0.6782%0.824SS**  trans119.2111.7-176.200000111.3
239V33.4Very low34.1Very low141 Ų141104.5 Ų104.586%0.85583%0.827SS**  84.9147.157.1-56.30000114.4
240C37.1Very low34.2Very low125 Ų125104.4 Ų104.485%0.84583%0.827SS**  trans61.4143.3-174.488.40000116.2
241G34.8Very low34.4Very low80 Ų80107 Ų10783%0.82583%0.826SS**  cis95.877.8-3.800000113.6
242G35.8Very low34.6Very low77 Ų77111.8 Ų111.879%0.79483%0.833SS**  trans-138.6152177.400000112
243I40.6Very low35Very low154 Ų154109.8 Ų109.879%0.7982%0.823SS**  trans-124163.4-168.953.4171.2000111.9
244Q34.1Very low35.1Very low165 Ų165114.2 Ų114.277%0.77183%0.826SS**  trans62.3143.5178.8-92.25659.200115.6
245G32.5Very low35.2Very low62 Ų62112.8 Ų112.864%0.63981%0.811SS**  cis103.3108.6-11.600000115.7
246L36.4Very low35.3Very low162 Ų162116.6 Ų116.685%0.84882%0.818SS**  trans-162.9140.9161.9-13674.6000114.3
247V33.5Very low35.3Very low141 Ų141115.6 Ų115.686%0.85581%0.808SS**  trans34.1141.4159.7-71.90000125
248G33Very low35.6Very low83 Ų83117.6 Ų117.686%0.85681%0.807SS**  trans132.3113.5158.300000112.6
249G31.3Very low36.5Very low86 Ų86120.3 Ų120.389%0.88781%0.813SS**  cis141.799.9-1.300000110.8
250G33.4Very low36.6Very low81 Ų81119.2 Ų119.284%0.83581%0.812SS**  trans166.4131.6179.100000113.1
251V34.6Very low36.8Very low138 Ų138121.6 Ų121.684%0.83682%0.815SS**  trans-104.5149.8176.2-69.20000110.7
252N39.3Very low36.7Very low176 Ų176120.9 Ų120.994%0.94181%0.807SS**  trans-159.3168.5152.4-100.8-38.4000110.6
253M42.2Very low36.4Very low155 Ų155122.9 Ų122.976%0.76481%0.809SS**  trans-130.5164.5-154.9-123.8-78.6-153.100112.2
254M41.5Very low36.2Very low169 Ų169120.9 Ų120.983%0.83381%0.808SS**  trans63.2156.2-173.9-61.188.6-170.800115.5
255G34.7Very low36.3Very low56 Ų56123.6 Ų123.658%0.57781%0.811SS**  cis137121.2-8.200000112.9
256T36.9Very low36.4Very low158 Ų158127.8 Ų127.897%0.96982%0.819SS**  trans65.7158.7-172.177.40000113.8
257G31Very low36.3Very low68 Ų68124.8 Ų124.870%0.70182%0.817SS**  cis-166.1174.1-1.900000111.6
258C38.3Very low36.2Very low128 Ų128121.2 Ų121.287%0.86581%0.809SS**  trans-81.7144.8-178.9-55.40000112.6
259P51Low36.3Very low122 Ų122126 Ų12679%0.79281%0.814SS**  trans-90135.7159.533.8-29.6000111.1
260S36.8Very low36.6Very low118 Ų118128.2 Ų128.283%0.82582%0.816SS**  trans-147.8131.4164.2-69.10000109.5
261L40.8Very low36.5Very low175 Ų175128.1 Ų128.192%0.91682%0.815SS**  trans-95.1138.3165-61.1160.1000105.4
262G32.5Very low36.4Very low64 Ų64129 Ų12966%0.6682%0.82SS**  cis89.2111.924.500000109
263S30.9Very low36Very low120 Ų120124.4 Ų124.484%0.83982%0.815SS**  cis-150-174.74.2-60.40000108.2
264C35.6Very low35.5Very low112 Ų112120.6 Ų120.676%0.75782%0.815SS**  cis-170.715827.248.10000113.1
265R36.2Very low35Very low222 Ų222122 Ų12284%0.83882%0.822SS**  trans62.5116150.4-72.2174.1164.9171-4.4119.5
266D33.6Very low34.8Very low149 Ų149123 Ų12380%0.79783%0.832SS**  75.2134.669.7-67.3-47.6000113.2
267A34.9Very low34.6Very low99 Ų99119.6 Ų119.682%0.81883%0.828SS**  cis-167.6171.9-11.400000107.7
268G30.6Very low34.5Very low67 Ų67120.1 Ų120.169%0.69183%0.834SS**  cis166-171-1.600000111.8
269L35.8Very low34.1Very low184 Ų184117.6 Ų117.696%0.96383%0.829SS**  trans74.1159168.4-58.5176.1000120.4
270S38Very low33.5Very low132 Ų132120 Ų12092%0.92383%0.832SS**  trans-106.6159-171.4-480000113.3
271G30.6Very low33.3Very low79 Ų79120.2 Ų120.281%0.81483%0.834SS**  trans-169.4143.1171.700000114.4
272V34Very low32.9Very low155 Ų155115.6 Ų115.694%0.93983%0.828SS**  trans-109.6144.1-172.8-151.60000111.5
273G30.1Very low32.9Very low81 Ų81118.7 Ų118.784%0.83584%0.839SS**  trans84.4162.2169.900000115.9
274G31.1Very low32.8Very low74 Ų74121 Ų12176%0.76384%0.841SS**  cis164148.2-10.600000114.5
275M32.6Very low32.8Very low200 Ų200120.7 Ų120.799%0.98584%0.84SS**  trans74.1145.6163.9-142.370.17800120.2
276G29.9Very low32.7Very low75 Ų75118.5 Ų118.577%0.77384%0.843SS**  trans87.1137.217100000115.3
277G32.4Very low32.5Very low87 Ų87114.4 Ų114.490%0.89784%0.836SS**  cis103.7125.72.900000112.9
278G29.2Very low32.3Very low79 Ų79115.8 Ų115.881%0.81484%0.839SS**  cis172.6164.1-6.800000113.2
279G30Very low32.4Very low75 Ų75118.1 Ų118.177%0.77385%0.845SS**  trans81.7171.5174.700000116.1
280M37.5Very low32.1Very low172 Ų172112.5 Ų112.585%0.84783%0.831SS**  cis-163160-23.862.4179.780.700110.5
281S32.3Very low31.8Very low123 Ų123114.4 Ų114.486%0.8683%0.826SS**  trans65.3152176.2-57.40000116.8
282G32.2Very low31.9Very low78 Ų78122 Ų12280%0.80483%0.83SS**  cis145.293.6-9.200000113.5
283C32.5Very low31.7Very low130 Ų130126 Ų12688%0.87883%0.828SS**  trans-147.2164.3169.459.50000111.3
284L30.7Very low31.7Very low168 Ų168133.4 Ų133.488%0.8883%0.832SS**  trans-106.7150-159-69.6169.8000115
285S35.4Very low31.9Very low106 Ų106137 Ų13774%0.74183%0.834SS**  trans-0.5135.8157-50.80000120.5
286I33.8Very low31.7Very low176 Ų176137.1 Ų137.190%0.90382%0.824SS**  -168137.6114.5-99.2155.7000111.9
287G28.7Very low31.7Very low63 Ų63139.1 Ų139.165%0.64983%0.825SS**  trans68108.8143.200000121.9
288S30.6Very low31.7Very low127 Ų127138.6 Ų138.689%0.88881%0.808SS**  trans64.8142149.1-64.10000119.2
289S33.1Very low32.3Very low117 Ų117141 Ų14182%0.81881%0.807SS**  cis-165.5163.4-6.250.20000110.6
290G30.4Very low32.2Very low65 Ų65147.8 Ų147.867%0.6781%0.811SS**  trans96.4122.5152.500000120.1
291Q30.8Very low31.9Very low172 Ų172145.1 Ų145.180%0.80480%0.8SS**  trans54.393136.9-96.871.6-1800121.4
292R32.3Very low32.4Very low238 Ų238144.7 Ų144.790%0.89879%0.794SS**  139.3105110.8-77.2-169.5-70.3-165.9-1.4114.9
293R29.9Very low32.9Very low241 Ų241148.4 Ų148.491%0.90979%0.794SS**  -147.1135.7126.2-72.6-158.6176.7106.35.1108.6
294Y30.5Very low33.2Very low236 Ų236150.4 Ų150.493%0.92580%0.796SS**  trans-116.5108.6161.3-106-73.7000106.5
295D34.2Very low33.4Very low148 Ų148151.5 Ų151.579%0.79180%0.796SS**  trans-122.9121167.4-142.5-33.4000105.9
296R28.7Very low33.4Very low204 Ų204152.4 Ų152.477%0.7780%0.803SS**  trans-15681.6177.7-165167179.6157.80.1112.1
297S31.3Very low33.2Very low116 Ų116147.6 Ų147.681%0.81180%0.797SS**  trans-52.9134.4142.7-47.70000108.9
298S31.8Very low33.6Very low77 Ų77151.9 Ų151.954%0.53880%0.804SS.*  trans-137110.5166.8-155.90000109.2
299V42.1Very low33.6Very low129 Ų129154.6 Ų154.678%0.78280%0.8SS**  trans-62.2149.8153.4179.10000107.5
300Y28Very low33.5Very low218 Ų218156.2 Ų156.286%0.85580%0.799SS**  trans-145.5138.6156.9-142.7-87.6000109.3
301D30.5Very low33.7Very low116 Ų116157.6 Ų157.662%0.6281%0.805SS**  trans-115.8137.1-170.7-162.132.8000109L303D301-L303 PolarHBondContact O-N 3Å
302P43.6Very low33.6Very low114 Ų114153 Ų15374%0.7480%0.803SS**  trans-96.789.4-16435.7-31.6000112.9
303L42.4Very low33.6Very low155 Ų155147.3 Ų147.381%0.81280%0.8SS**  trans-138.387.5174.7-71.2176.7000112.8D301D301-L303 PolarHBondContact O-N 3Å
304L39.4Very low33.8Very low173 Ų173144.1 Ų144.191%0.90680%0.8SS**  trans-176.986.5140-170.469.7000112
305E34.8Very low34.1Very low191 Ų191142 Ų14289%0.89380%0.798SS**  trans-153.788.5160.9-159.6164.9-165.900111.8
306S35.7Very low34Very low125 Ų125139.2 Ų139.287%0.87480%0.796SS**  trans-166.1129.1169.6-78.20000110
307G28.3Very low34.5Very low75 Ų75134.8 Ų134.877%0.77380%0.796SS**  trans96.9111.3-16900000111
308L36.5Very low34.9Very low152 Ų152137.2 Ų137.280%0.79680%0.796SS**  cis90.1135.829.5-157.775.1000113.5
309F31.4Very low35.2Very low185 Ų185139.2 Ų139.281%0.81180%0.801SS**  trans69.7153.7-171.5-58.8-82.2000115.7
310D31.2Very low35.3Very low150 Ų150140.1 Ų140.180%0.80280%0.796SS**  cis-157.9177.3-40.1-155.1-11.5000108.1
311A35.5Very low36.3Very low95 Ų95134.4 Ų134.479%0.78578%0.784SS**  trans-88.8147.8-173.500000115.3
312G28.5Very low37.2Very low74 Ų74132 Ų13276%0.76378%0.781SS**  trans128.7122.4144.500000118.8
313S32.1Very low37.6Very low119 Ų119132.3 Ų132.383%0.83278%0.776SS**  trans55.988.2141.4-169.90000120.5
314L34.2Very low37.9Very low175 Ų175129.9 Ų129.992%0.91676%0.76SS**  -144.4130.6118.5-160.272.3000109.7
315E36Very low38.4Very low192 Ų192127.9 Ų127.990%0.89775%0.75SS**  trans-79.5135.9-178-65.2-172.2117.500112.2
316A33.1Very low39Very low89 Ų89127 Ų12774%0.73674%0.743SS**  trans-129.9116.5161.600000108.2M318A316-M318 PolarHBondContact O-N 3.16Å
317S37.9Very low39.5Very low110 Ų110129.7 Ų129.777%0.76973%0.734SS**  trans-40.4113.3-171.9177.60000114.3D319S317-D319 PolarHBondContact O-N 3.42Å
318M39.7Very low40.5Very low167 Ų167134.7 Ų134.782%0.82373%0.729SS**  trans-78.6116.3169.6-73.7-168.269.200110.7A316 H320A316-M318 PolarHBondContact O-N 3.16Å; M318-H320 PolarHBondContact O-N 2.98Å
319D37.6Very low41.1Very low119 Ų119138.5 Ų138.564%0.63673%0.733SS**  trans-63.1100.8-178.5-85.5-44.3000113.3S317 T321 A322S317-D319 PolarHBondContact O-N 3.42Å; D319-T321 PolarHBondContact O-N 2.99Å; D319-A322 PolarHBondContact O-N 2.94Å
320H44.1Very low41.7Very low148 Ų148136.7 Ų136.769%0.68573%0.731SS**Hα-helixtrans-63.3-11.4-177-145.9-53.6000113.8M318M318-H320 PolarHBondContact O-N 2.98Å
321T50.4Low42.1Very low98 Ų98136.4 Ų136.460%0.60173%0.725SS**Hα-helixtrans-76.2-39.2178.8530000113.1D319 L323 Q324 L325D319-T321 PolarHBondContact O-N 2.99Å; T321-L323 VanDerWaalsContact C-N 3.33Å; T321-L323 PolarHBondContact O-N 3.24Å; T321-Q324 PolarHBondContact O-N 3.46Å; T321-Q324 VanDerWaalsContact O-N 3.14Å; T321-L325 PolarHBondContact O-N 2.95Å; T321-L325 VanDerWaalsContact O-N 3.16Å
322A49.8Very low42.4Very low66 Ų66135.3 Ų135.355%0.54572%0.723SS.*Hα-helixtrans-63.7-37.3-174.200000112.6D319 K326D319-A322 PolarHBondContact O-N 2.94Å; A322-K326 PolarHBondContact O-N 3.21Å
323L51.6Low43.4Very low121 Ų121139.4 Ų139.463%0.63473%0.727SS**Hα-helixtrans-72.8-31.4176.4-71.8172.3000113T321 R327T321-L323 VanDerWaalsContact C-N 3.33Å; T321-L323 PolarHBondContact O-N 3.24Å; L323-R327 PolarHBondContact O-N 2.97Å
324Q47.8Very low43.9Very low103 Ų103144.4 Ų144.448%0.48173%0.727SS.*Hα-helixtrans-68.4-42.5175.4-69.5-169.818.200111.8T321 K326 R327 R328T321-Q324 PolarHBondContact O-N 3.46Å; T321-Q324 VanDerWaalsContact O-N 3.14Å; Q324-K326 VanDerWaalsContact C-N 3.27Å; Q324-K326 PolarHBondContact O-N 2.94Å; Q324-R327 PolarHBondContact O-N 3.5Å; Q324-R328 PolarHBondContact O-N 3.37Å
325L49.3Very low44.2Very low132 Ų132143.2 Ų143.269%0.69172%0.721SS**Hα-helixtrans-62.5-36.3-178.4-147.876.3000111.9T321T321-L325 PolarHBondContact O-N 2.95Å; T321-L325 VanDerWaalsContact O-N 3.16Å
326K49Very low44.2Very low172 Ų172140.9 Ų140.975%0.74872%0.72SS**Hα-helixtrans-74.7-29.7178.6-154.7167-176.1174.80113.2A322 Q324A322-K326 PolarHBondContact O-N 3.21Å; Q324-K326 VanDerWaalsContact C-N 3.27Å; Q324-K326 PolarHBondContact O-N 2.94Å
327R46.4Very low44.4Very low181 Ų181143.9 Ų143.968%0.68372%0.724SS**Hα-helixtrans-73.4-45173.6-161.9179.4-60.6-161.51.9111.7L323 Q324 R329 L330 E331L323-R327 PolarHBondContact O-N 2.97Å; Q324-R327 PolarHBondContact O-N 3.5Å; R327-R329 PolarHBondContact O-N 2.88Å; R327-R329 VanDerWaalsContact O-N 3.11Å; R327-L330 PolarHBondContact O-N 3.01Å; R327-E331 PolarHBondContact O-N 3.47Å
328R49.3Very low44.3Very low181 Ų181142.1 Ų142.168%0.68372%0.723SS**Hα-helixtrans-59.8-24.8-179.4-156.7179.2-60-145.83.2113.5Q324Q324-R328 PolarHBondContact O-N 3.37Å
329R49.3Very low44.1Very low232 Ų232140.5 Ų140.588%0.87573%0.728SS**Hα-helixtrans-84.9-6178-150.7174-169.2152.33.5114.6R327R327-R329 PolarHBondContact O-N 2.88Å; R327-R329 VanDerWaalsContact O-N 3.11Å
330L43.7Very low43.8Very low147 Ų147138.8 Ų138.877%0.7774%0.738SS**Hα-helixtrans-109.6-29.4178.7-167.664.9000112.7R327 G332R327-L330 PolarHBondContact O-N 3.01Å; L330-G332 VanDerWaalsContact C-N 3.34Å
331E39.8Very low43.3Very low143 Ų143135.9 Ų135.967%0.66875%0.749SS**Hα-helixtrans-64.3-35.3173.2-66-74.7132.800112.7R327 L333 R334R327-E331 PolarHBondContact O-N 3.47Å; E331-L333 PolarHBondContact O-N 3.33Å; E331-R334 PolarHBondContact O-N 3.25Å
332G42Very low42.5Very low73 Ų73135 Ų13575%0.75376%0.759SS**THydrogen-bonded Turntrans-69.826.1-17400000116.6L330L330-G332 VanDerWaalsContact C-N 3.34Å
333L48.1Very low41.7Very low159 Ų159139.5 Ų139.583%0.83277%0.768SS**THydrogen-bonded Turntrans-135.521.7179.6-120.6162.8000112.8E331E331-L333 PolarHBondContact O-N 3.33Å
334R41.9Very low41.1Very low224 Ų224141.9 Ų141.985%0.84577%0.77SS**SBendtrans-130.8107.1166-80.2-169.3166.9-171.9-4.7112.4E331E331-R334 PolarHBondContact O-N 3.25Å
335L40.6Very low40.5Very low150 Ų150144.9 Ų144.979%0.78578%0.784SS**  trans46.8106.5148.5-57.8173.7000117.9
336T36.3Very low40Very low144 Ų144146.4 Ų146.488%0.88379%0.792SS**  trans-118.9105.6152.353.80000108.4
337D38.9Very low39.7Very low152 Ų152141.8 Ų141.881%0.81379%0.793SS**  trans-79.6145.4173.1-58.8-57.3000110.6
338G34.5Very low39.4Very low72 Ų72139.5 Ų139.574%0.74280%0.799SS**  trans131.397.1164.900000117.3
339S35Very low38.8Very low134 Ų134139.4 Ų139.494%0.93781%0.807SS**  trans39.1102143.1-55.50000120.5
340G31.9Very low38.3Very low82 Ų82132.7 Ų132.785%0.84580%0.801SS**  trans-171.3100.716400000111.8
341G33.6Very low38.4Very low88 Ų88130 Ų13091%0.90780%0.8SS**  trans-78.6142.7-162.100000117.1
342G34.3Very low38.7Very low79 Ų79130.6 Ų130.681%0.81481%0.806SS**  trans111.194.2134.900000119.3
343H31.7Very low39.1Very low160 Ų160132.4 Ų132.474%0.74181%0.805SS**  -158.1170.9119.9-142.6-108.6000110
344Y40.3Very low39.5Very low172 Ų172130.7 Ų130.768%0.67580%0.803SS**  trans-111.8169.9-159.348.9-105.8000116.9
345E35.4Very low40.3Very low165 Ų165126.6 Ų126.677%0.77179%0.788SS**  trans90.7151.2161-78.1-168124.800122.5
346L37.7Very low41.7Very low164 Ų164123.9 Ų123.986%0.85978%0.779SS**  trans53.670.5179.3-95.861.8000117
347G43Very low43.1Very low75 Ų75123.7 Ų123.777%0.77377%0.772SS**  trans-78.3121.9168.800000113.8
348V39.4Very low44.5Very low134 Ų134123.6 Ų123.681%0.81277%0.767SS**  trans-132.3106.8145.2178.30000106.9A350V348-A350 PolarHBondContact O-N 3.13Å; V348-A350 VanDerWaalsContact O-N 3.15Å
349Q36.6Very low46.5Very low179 Ų179125.7 Ų125.784%0.83675%0.753SS**  trans-62.3118.7168.3-127.483.913.300107.6A351Q349-A351 PolarHBondContact O-N 2.97Å
350A39.8Very low48.7Very low91 Ų91126.3 Ų126.375%0.75274%0.735SS**  trans-72.176.4174.500000110V348 L352V348-A350 PolarHBondContact O-N 3.13Å; V348-A350 VanDerWaalsContact O-N 3.15Å; A350-L352 VanDerWaalsContact C-N 3.34Å; A350-L352 PolarHBondContact O-N 3.38Å
351A44.6Very low51.3Low91 Ų91129.4 Ų129.475%0.75273%0.725SS**  trans-64.394.6172.900000108.9Q349Q349-A351 PolarHBondContact O-N 2.97Å
352L46.8Very low53.8Low154 Ų154129.8 Ų129.881%0.80671%0.706SS**PPolyproline II helixtrans-51.8134.6166.9-67172.5000108.1A350A350-L352 VanDerWaalsContact C-N 3.34Å; A350-L352 PolarHBondContact O-N 3.38Å
353P50.2Low56.4Low112 Ų112128.8 Ų128.873%0.72768%0.68SS**PPolyproline II helixtrans-57.7133.5-179.724.4-33.6000108.8R355P353-R355 PolarHBondContact O-N 3.46Å
354P57.9Low59.3Low122 Ų122126.6 Ų126.679%0.79267%0.67SS**PPolyproline II helixtrans-57.4126.9179.424-33000108.5
355R58.6Low61.8Low139 Ų139123.3 Ų123.353%0.52566%0.661SS.*PPolyproline II helixtrans-53133.2173.6-77.5-174.9164.9-178.6-7108P353 L357 Y359 E363P353-R355 PolarHBondContact O-N 3.46Å; R355-L357 PolarHBondContact O-N 3.27Å; R355-Y359 VanDerWaalsContact NH1-CE1 3.26Å; R355-E363 IonicContact CZ-OE1 3.18Å; R355-E363 IonicContact NH1-OE1 2.76Å; R355-E363 PolarHBondContact NH1-OE1 3.06Å
356P68.9Low64.5Low93 Ų93119 Ų11960%0.60464%0.643SS**PPolyproline II helixtrans-48.6140.4178.7-29.135.3000110.8E358 Y359P356-E358 PolarHBondContact O-N 3.25Å; P356-Y359 WeakPolarHBondContact O-CA 3.42Å; P356-Y359 VanDerWaalsContact O-CB 3.28Å; P356-Y359 WeakPolarHBondContact O-CB 3.48Å; P356-Y359 PolarHBondContact O-N 3.34Å
357L67Low67.3Low139 Ų139113.3 Ų113.373%0.72862%0.617SS**Hα-helixtrans-53.8-35.1-173.1-64.9171.7000112.3R355 Y359 R360 F361R355-L357 PolarHBondContact O-N 3.27Å; L357-Y359 VanDerWaalsContact C-N 3.3Å; L357-Y359 PolarHBondContact O-N 3.16Å; L357-R360 WeakPolarHBondContact O-CA 3.26Å; L357-R360 WeakPolarHBondContact O-CB 3.39Å; L357-R360 PolarHBondContact O-N 3.08Å; L357-F361 VanDerWaalsContact O-CD2 3.24Å; L357-F361 WeakPolarHBondContact O-CD2 3.39Å; L357-F361 PolarHBondContact O-N 3.06Å; L357-F361 VanDerWaalsContact O-N 3.12Å
358E68.3Low69.8Low151 Ų151114.4 Ų114.471%0.70661%0.605SS**Hα-helixtrans-57-37.1173.5-164163.9-154.500113.3P356 R360 F361 L362P356-E358 PolarHBondContact O-N 3.25Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 3.48Å; E358-F361 PolarHBondContact O-N 3.14Å; E358-L362 WeakPolarHBondContact O-CB 3.28Å; E358-L362 VanDerWaalsContact O-CG 3.28Å; E358-L362 WeakPolarHBondContact O-CG 3.45Å; E358-L362 PolarHBondContact O-N 3.3Å
359Y76.2Confident72.4Confident115 Ų115112.4 Ų112.445%0.45159%0.589SS.*Hα-helixtrans-67.8-31.5173.2-160-75.7000112R355 P356 L357 L362 E363R355-Y359 VanDerWaalsContact NH1-CE1 3.26Å; P356-Y359 WeakPolarHBondContact O-CA 3.42Å; P356-Y359 VanDerWaalsContact O-CB 3.28Å; P356-Y359 WeakPolarHBondContact O-CB 3.48Å; P356-Y359 PolarHBondContact O-N 3.34Å; L357-Y359 VanDerWaalsContact C-N 3.3Å; L357-Y359 PolarHBondContact O-N 3.16Å; Y359-L362 PolarHBondContact O-N 3.01Å; Y359-E363 HydrophobicContact CD1-CG 3.74Å; Y359-E363 WeakPolarHBondContact CD1-OE1 3.22Å; Y359-E363 HydrophobicContact CE1-CG 3.67Å; Y359-E363 WeakPolarHBondContact CE1-OE1 3.35Å; Y359-E363 WeakPolarHBondContact O-CB 3.48Å; Y359-E363 WeakPolarHBondContact O-CG 3.45Å; Y359-E363 PolarHBondContact O-N 3.28Å
360R80.9Confident75.2Confident148 Ų148112.1 Ų112.156%0.55858%0.58SS**Hα-helixtrans-70.1-41.4176.1-67.6-72-64.9136.95.2111.5L357 E358 E363 E364L357-R360 WeakPolarHBondContact O-CA 3.26Å; L357-R360 WeakPolarHBondContact O-CB 3.39Å; L357-R360 PolarHBondContact O-N 3.08Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 3.48Å; R360-E363 WeakPolarHBondContact CD-OE2 3.33Å; R360-E363 IonicContact CZ-OE2 3.68Å; R360-E363 IonicContact NE-OE2 3.94Å; R360-E363 IonicContact NH1-OE2 2.69Å; R360-E363 PolarHBondContact NH1-OE2 3.38Å; R360-E363 PolarHBondContact O-N 2.9Å; R360-E364 PolarHBondContact O-N 2.57Å
361F85.9Confident78Confident146 Ų146114 Ų11464%0.6457%0.572SS**Hα-helixtrans-63.5-41.8172-69.9-66.2000111.8L357 E358 E364 E365L357-F361 VanDerWaalsContact O-CD2 3.24Å; L357-F361 WeakPolarHBondContact O-CD2 3.39Å; L357-F361 PolarHBondContact O-N 3.06Å; L357-F361 VanDerWaalsContact O-N 3.12Å; E358-F361 PolarHBondContact O-N 3.14Å; F361-E364 PolarHBondContact O-N 3.24Å; F361-E365 WeakPolarHBondContact O-CB 3.4Å; F361-E365 PolarHBondContact O-N 2.94Å
362L86.8Confident80.5Confident97 Ų97116.4 Ų116.451%0.50856%0.561SS.*Hα-helixtrans-66.2-36.4175.1-70.8167.3000113E358 Y359 N366E358-L362 WeakPolarHBondContact O-CB 3.28Å; E358-L362 VanDerWaalsContact O-CG 3.28Å; E358-L362 WeakPolarHBondContact O-CG 3.45Å; E358-L362 PolarHBondContact O-N 3.3Å; Y359-L362 PolarHBondContact O-N 3.01Å; L362-N366 VanDerWaalsContact O-CB 3.22Å; L362-N366 WeakPolarHBondContact O-CB 3.14Å; L362-N366 PolarHBondContact O-N 2.94Å
363E87.7Confident82.9Confident57 Ų57112.7 Ų112.727%0.26655%0.545SS..Hα-helixtrans-60-45.4170.4-81.7173.2175.500111.5R355 Y359 R360 S367R355-E363 IonicContact CZ-OE1 3.18Å; R355-E363 IonicContact NH1-OE1 2.76Å; R355-E363 PolarHBondContact NH1-OE1 3.06Å; Y359-E363 HydrophobicContact CD1-CG 3.74Å; Y359-E363 WeakPolarHBondContact CD1-OE1 3.22Å; Y359-E363 HydrophobicContact CE1-CG 3.67Å; Y359-E363 WeakPolarHBondContact CE1-OE1 3.35Å; Y359-E363 WeakPolarHBondContact O-CB 3.48Å; Y359-E363 WeakPolarHBondContact O-CG 3.45Å; Y359-E363 PolarHBondContact O-N 3.28Å; R360-E363 WeakPolarHBondContact CD-OE2 3.33Å; R360-E363 IonicContact CZ-OE2 3.68Å; R360-E363 IonicContact NE-OE2 3.94Å; R360-E363 IonicContact NH1-OE2 2.69Å; R360-E363 PolarHBondContact NH1-OE2 3.38Å; R360-E363 PolarHBondContact O-N 2.9Å; E363-S367 PolarHBondContact O-N 2.77Å
364E92.9Very high85.2Confident115 Ų115114.1 Ų114.154%0.53754%0.542SS..Hα-helixtrans-67.6-48.5-179.4-178.2159.3-146.200112R360 F361 N366 S367 L368R360-E364 PolarHBondContact O-N 2.57Å; F361-E364 PolarHBondContact O-N 3.24Å; E364-N366 VanDerWaalsContact C-N 3.34Å; E364-N366 PolarHBondContact O-N 3.34Å; E364-S367 WeakPolarHBondContact O-CA 3.1Å; E364-S367 WeakPolarHBondContact O-CB 3.47Å; E364-S367 PolarHBondContact O-N 2.92Å; E364-S367 PolarHBondContact O-OG 2.93Å; E364-L368 HydrophobicContact CG-CD1 4.32Å; E364-L368 WeakPolarHBondContact O-CG 3.48Å; E364-L368 PolarHBondContact O-N 2.92Å
365E93.6Very high87.1Confident103 Ų103111.7 Ų111.748%0.48152%0.52SS..Hα-helixtrans-57.5-45.8174.4-169.6-167.4176.600111F361 S367 L368 L369F361-E365 WeakPolarHBondContact O-CB 3.4Å; F361-E365 PolarHBondContact O-N 2.94Å; E365-S367 PolarHBondContact O-N 3.27Å; E365-L368 PolarHBondContact O-N 2.82Å; E365-L368 VanDerWaalsContact O-N 3.1Å; E365-L369 HydrophobicContact CG-CD1 3.99Å; E365-L369 HydrophobicContact CG-CG 4.3Å; E365-L369 WeakPolarHBondContact O-CB 3.17Å; E365-L369 WeakPolarHBondContact O-CG 3.47Å; E365-L369 PolarHBondContact O-N 3.34Å
366N90.9Very high88.9Confident74 Ų74108.8 Ų108.840%0.39651%0.514SS..Hα-helixtrans-62.7-30.5177.2-148.6-97.7000111.9L362 E364 R370L362-N366 VanDerWaalsContact O-CB 3.22Å; L362-N366 WeakPolarHBondContact O-CB 3.14Å; L362-N366 PolarHBondContact O-N 2.94Å; E364-N366 VanDerWaalsContact C-N 3.34Å; E364-N366 PolarHBondContact O-N 3.34Å; N366-R370 WeakPolarHBondContact O-CB 3.45Å; N366-R370 VanDerWaalsContact O-CD 3.29Å; N366-R370 WeakPolarHBondContact O-CD 3.47Å; N366-R370 WeakPolarHBondContact O-CG 3.05Å; N366-R370 PolarHBondContact O-N 3.23Å; N366-R370 VanDerWaalsContact O-N 3.12Å; N366-R370 VanDerWaalsContact OD1-CZ 3.26Å; N366-R370 PolarHBondContact OD1-NE 3.26Å; N366-R370 PolarHBondContact OD1-NH2 3.46Å
367S96.5Very high90.3Very high45 Ų45111.3 Ų111.332%0.31552%0.516SS..Hα-helixtrans-71.2-39.917391.20000112.7E363 E364 E365 R370 K371E363-S367 PolarHBondContact O-N 2.77Å; E364-S367 WeakPolarHBondContact O-CA 3.1Å; E364-S367 WeakPolarHBondContact O-CB 3.47Å; E364-S367 PolarHBondContact O-N 2.92Å; E364-S367 PolarHBondContact O-OG 2.93Å; E365-S367 PolarHBondContact O-N 3.27Å; S367-R370 PolarHBondContact O-N 2.83Å; S367-K371 WeakPolarHBondContact O-CG 3.45Å; S367-K371 PolarHBondContact O-N 2.6Å
368L96.9Very high91.8Very high97 Ų97111.3 Ų111.351%0.50851%0.51SS..Hα-helixtrans-69-43.1177.8-68.3171.7000111.1E364 E365 R370 K371 R372E364-L368 HydrophobicContact CG-CD1 4.32Å; E364-L368 WeakPolarHBondContact O-CG 3.48Å; E364-L368 PolarHBondContact O-N 2.92Å; E365-L368 PolarHBondContact O-N 2.82Å; E365-L368 VanDerWaalsContact O-N 3.1Å; L368-R370 VanDerWaalsContact C-N 3.34Å; L368-R370 PolarHBondContact O-N 2.82Å; L368-K371 PolarHBondContact O-N 3.32Å; L368-R372 WeakPolarHBondContact O-CB 3.34Å; L368-R372 PolarHBondContact O-N 2.83Å
369L94.4Very high93.2Very high93 Ų93107.9 Ų107.949%0.48749%0.494SS..Hα-helixtrans-60.8-40.9173.7-70171.6000111.6E365 R372 V373E365-L369 HydrophobicContact CG-CD1 3.99Å; E365-L369 HydrophobicContact CG-CG 4.3Å; E365-L369 WeakPolarHBondContact O-CB 3.17Å; E365-L369 WeakPolarHBondContact O-CG 3.47Å; E365-L369 PolarHBondContact O-N 3.34Å; L369-R372 PolarHBondContact O-N 3.02Å; L369-V373 WeakPolarHBondContact O-CG2 3.31Å; L369-V373 PolarHBondContact O-N 3.04Å
370R95.2Very high94.2Very high172 Ų172106.4 Ų106.465%0.64950%0.497SS*.Hα-helixtrans-62-48.7174-75.7165.4-165.4-90.9-4.8112.2N366 S367 L368 R372 V373 E374N366-R370 WeakPolarHBondContact O-CB 3.45Å; N366-R370 VanDerWaalsContact O-CD 3.29Å; N366-R370 WeakPolarHBondContact O-CD 3.47Å; N366-R370 WeakPolarHBondContact O-CG 3.05Å; N366-R370 PolarHBondContact O-N 3.23Å; N366-R370 VanDerWaalsContact O-N 3.12Å; N366-R370 VanDerWaalsContact OD1-CZ 3.26Å; N366-R370 PolarHBondContact OD1-NE 3.26Å; N366-R370 PolarHBondContact OD1-NH2 3.46Å; S367-R370 PolarHBondContact O-N 2.83Å; L368-R370 VanDerWaalsContact C-N 3.34Å; L368-R370 PolarHBondContact O-N 2.82Å; R370-R372 VanDerWaalsContact C-N 3.29Å; R370-R372 PolarHBondContact O-N 3.43Å; R370-V373 PolarHBondContact O-N 2.86Å; R370-E374 PolarHBondContact O-N 3.12Å
371K97.8Very high95Very high130 Ų130103 Ų10357%0.56550%0.495SS*.Hα-helixtrans-57.6-41.3174.5-71.3167.5-179.71720111.6S367 L368 E374 E375S367-K371 WeakPolarHBondContact O-CG 3.45Å; S367-K371 PolarHBondContact O-N 2.6Å; L368-K371 PolarHBondContact O-N 3.32Å; K371-E374 PolarHBondContact O-N 3.31Å; K371-E375 PolarHBondContact O-N 3.11Å
372R97Very high95.6Very high142 Ų142101 Ų10154%0.53649%0.492SS..Hα-helixtrans-68.2-38.8178.5-172.157.1174.31720.9112.5L368 L369 R370 E374 L376L368-R372 WeakPolarHBondContact O-CB 3.34Å; L368-R372 PolarHBondContact O-N 2.83Å; L369-R372 PolarHBondContact O-N 3.02Å; R370-R372 VanDerWaalsContact C-N 3.29Å; R370-R372 PolarHBondContact O-N 3.43Å; R372-E374 VanDerWaalsContact C-N 3.35Å; R372-L376 HydrophobicContact CG-CD1 4.18Å; R372-L376 WeakPolarHBondContact O-CB 3.15Å; R372-L376 VanDerWaalsContact O-CG 3.22Å; R372-L376 WeakPolarHBondContact O-CG 3.44Å; R372-L376 PolarHBondContact O-N 3.13Å
373V97.8Very high96.1Very high77 Ų77101.2 Ų101.247%0.46749%0.493SS..Hα-helixtrans-65.2-37.9173.1166.80000111.6L369 R370 K377L369-V373 WeakPolarHBondContact O-CG2 3.31Å; L369-V373 PolarHBondContact O-N 3.04Å; R370-V373 PolarHBondContact O-N 2.86Å; V373-K377 HydrophobicContact CG1-CD 4.31Å; V373-K377 WeakPolarHBondContact O-CB 3.43Å; V373-K377 VanDerWaalsContact O-CG 3.28Å; V373-K377 WeakPolarHBondContact O-CG 3.05Å; V373-K377 PolarHBondContact O-N 3.45Å
374E97.8Very high96.5Very high141 Ų141103.3 Ų103.366%0.65951%0.505SS*.Hα-helixtrans-68.2-45.6176.8-174159.5-128.200112.3R370 K371 R372 L376 K377 K378R370-E374 PolarHBondContact O-N 3.12Å; K371-E374 PolarHBondContact O-N 3.31Å; R372-E374 VanDerWaalsContact C-N 3.35Å; E374-L376 PolarHBondContact O-N 3.3Å; E374-K377 WeakPolarHBondContact O-CB 3.36Å; E374-K377 PolarHBondContact O-N 2.69Å; E374-K378 PolarHBondContact O-N 3.44Å
375E97.9Very high96.7Very high72 Ų72100 Ų10034%0.33650%0.497SS..Hα-helixtrans-63.6-40.717417854.9-152.800111.9K371 K377 K378 Q379K371-E375 PolarHBondContact O-N 3.11Å; E375-K377 PolarHBondContact O-N 2.76Å; E375-K378 WeakPolarHBondContact O-CB 3.49Å; E375-K378 PolarHBondContact O-N 3.16Å; E375-K378 IonicContact OE2-NZ 2.67Å; E375-Q379 WeakPolarHBondContact O-CG 3.29Å; E375-Q379 PolarHBondContact O-N 3Å; E375-Q379 WeakPolarHBondContact OE1-CG 3.39Å; E375-Q379 PolarHBondContact OE1-NE2 3.29Å
376L97.3Very high96.8Very high77 Ų7798 Ų9840%0.40349%0.492SS..Hα-helixtrans-63.5-38.4173.9-74.4169.6000112.3R372 E374 Q379 V380R372-L376 HydrophobicContact CG-CD1 4.18Å; R372-L376 WeakPolarHBondContact O-CB 3.15Å; R372-L376 VanDerWaalsContact O-CG 3.22Å; R372-L376 WeakPolarHBondContact O-CG 3.44Å; R372-L376 PolarHBondContact O-N 3.13Å; E374-L376 PolarHBondContact O-N 3.3Å; L376-Q379 PolarHBondContact O-N 3.47Å; L376-V380 WeakPolarHBondContact O-CG2 3.3Å; L376-V380 PolarHBondContact O-N 3.02Å
377K97.6Very high97.1Very high147 Ų14798.7 Ų98.764%0.63950%0.496SS*.Hα-helixtrans-63-41.1172.5-77.7171.8176.9-175.70112V373 E374 E375 V380 S381V373-K377 HydrophobicContact CG1-CD 4.31Å; V373-K377 WeakPolarHBondContact O-CB 3.43Å; V373-K377 VanDerWaalsContact O-CG 3.28Å; V373-K377 WeakPolarHBondContact O-CG 3.05Å; V373-K377 PolarHBondContact O-N 3.45Å; E374-K377 WeakPolarHBondContact O-CB 3.36Å; E374-K377 PolarHBondContact O-N 2.69Å; E375-K377 PolarHBondContact O-N 2.76Å; K377-V380 PolarHBondContact O-N 3.26Å; K377-S381 WeakPolarHBondContact O-CB 3.44Å; K377-S381 PolarHBondContact O-N 3.03Å
378K97.9Very high97.1Very high139 Ų139102.9 Ų102.960%0.60451%0.51SS*.Hα-helixtrans-63.8-41.6175.5-176.3-173.7171.7-164.70111.6E374 E375 S381 N382E374-K378 PolarHBondContact O-N 3.44Å; E375-K378 WeakPolarHBondContact O-CB 3.49Å; E375-K378 PolarHBondContact O-N 3.16Å; E375-K378 IonicContact OE2-NZ 2.67Å; K378-S381 PolarHBondContact O-N 3.36Å; K378-N382 WeakPolarHBondContact O-CB 3.49Å; K378-N382 PolarHBondContact O-N 3.2Å
379Q98Very high97.1Very high79 Ų79102.3 Ų102.337%0.36951%0.51SS..Hα-helixtrans-64-43.7174.8-70.7174.71100111.9E375 L376 N382 L383E375-Q379 WeakPolarHBondContact O-CG 3.29Å; E375-Q379 PolarHBondContact O-N 3Å; E375-Q379 WeakPolarHBondContact OE1-CG 3.39Å; E375-Q379 PolarHBondContact OE1-NE2 3.29Å; L376-Q379 PolarHBondContact O-N 3.47Å; Q379-N382 PolarHBondContact O-N 3.45Å; Q379-L383 WeakPolarHBondContact O-CB 3.33Å; Q379-L383 WeakPolarHBondContact O-CG 3.38Å; Q379-L383 PolarHBondContact O-N 2.97Å
380V97.6Very high97.2Very high83 Ų83102.1 Ų102.150%0.50351%0.509SS..Hα-helixtrans-61.4-43.9172.8168.70000111.3L376 K377 N382 L383 I384L376-V380 WeakPolarHBondContact O-CG2 3.3Å; L376-V380 PolarHBondContact O-N 3.02Å; K377-V380 PolarHBondContact O-N 3.26Å; V380-N382 VanDerWaalsContact C-N 3.35Å; V380-N382 PolarHBondContact O-N 3.27Å; V380-L383 PolarHBondContact O-N 3.45Å; V380-I384 HydrophobicContact CG1-CD1 3.76Å; V380-I384 HydrophobicContact CG1-CG1 4.44Å; V380-I384 VanDerWaalsContact O-CG1 3.27Å; V380-I384 WeakPolarHBondContact O-CG1 3.43Å; V380-I384 PolarHBondContact O-N 2.93Å
381S97.8Very high97.3Very high76 Ų7699.8 Ų99.853%0.53151%0.509SS..Hα-helixtrans-61.5-41.4176.6-168.20000112.4K377 K378 I384 A385K377-S381 WeakPolarHBondContact O-CB 3.44Å; K377-S381 PolarHBondContact O-N 3.03Å; K378-S381 PolarHBondContact O-N 3.36Å; S381-I384 PolarHBondContact O-N 3.33Å; S381-A385 PolarHBondContact O-N 3.5Å
382N97.8Very high97.2Very high106 Ų10698.4 Ų98.457%0.56751%0.505SS*.Hα-helixtrans-66.7-42.5176.5-16937.1000111.4K378 Q379 V380 I384 A385 T386K378-N382 WeakPolarHBondContact O-CB 3.49Å; K378-N382 PolarHBondContact O-N 3.2Å; Q379-N382 PolarHBondContact O-N 3.45Å; V380-N382 VanDerWaalsContact C-N 3.35Å; V380-N382 PolarHBondContact O-N 3.27Å; N382-I384 VanDerWaalsContact C-N 3.32Å; N382-I384 PolarHBondContact O-N 2.71Å; N382-A385 PolarHBondContact O-N 3.02Å; N382-T386 WeakPolarHBondContact O-CG2 3.44Å; N382-T386 PolarHBondContact O-N 2.87Å; N382-T386 PolarHBondContact O-OG1 2.91Å
383L97.4Very high97.1Very high101 Ų10195.8 Ų95.853%0.52950%0.499SS..Hα-helixtrans-64.1-34.9174.9-74.5167.7000112.5Q379 V380 T386 N387Q379-L383 WeakPolarHBondContact O-CB 3.33Å; Q379-L383 WeakPolarHBondContact O-CG 3.38Å; Q379-L383 PolarHBondContact O-N 2.97Å; V380-L383 PolarHBondContact O-N 3.45Å; L383-T386 WeakPolarHBondContact CA-OG1 3.22Å; L383-T386 PolarHBondContact O-OG1 3.42Å; L383-T386 VanDerWaalsContact O-OG1 3.1Å; L383-N387 WeakPolarHBondContact O-CB 3.12Å; L383-N387 PolarHBondContact O-N 3.06Å; L383-N387 PolarHBondContact O-ND2 3.1Å
384I96.9Very high96.8Very high101 Ų10196.4 Ų96.452%0.51850%0.499SS..Hα-helixtrans-64.5-48.5173.2-71.7164.3000109.8V380 S381 N382 T386 N387 E388V380-I384 HydrophobicContact CG1-CD1 3.76Å; V380-I384 HydrophobicContact CG1-CG1 4.44Å; V380-I384 VanDerWaalsContact O-CG1 3.27Å; V380-I384 WeakPolarHBondContact O-CG1 3.43Å; V380-I384 PolarHBondContact O-N 2.93Å; S381-I384 PolarHBondContact O-N 3.33Å; N382-I384 VanDerWaalsContact C-N 3.32Å; N382-I384 PolarHBondContact O-N 2.71Å; I384-T386 PolarHBondContact O-N 3.25Å; I384-N387 PolarHBondContact O-N 2.84Å; I384-E388 PolarHBondContact O-N 3.33Å
385A97.1Very high96.7Very high45 Ų4592 Ų9237%0.37249%0.487SS..Hα-helixtrans-62.1-39.217800000113S381 N382 E388 V389S381-A385 PolarHBondContact O-N 3.5Å; N382-A385 PolarHBondContact O-N 3.02Å; A385-E388 PolarHBondContact O-N 3.11Å; A385-V389 WeakPolarHBondContact O-CG2 3.46Å; A385-V389 PolarHBondContact O-N 3.24Å
386T96.1Very high96.4Very high62 Ų6292.7 Ų92.738%0.3849%0.49SS..Hα-helixtrans-68.9-36.9174.857.80000112.3N382 L383 I384 L390N382-T386 WeakPolarHBondContact O-CG2 3.44Å; N382-T386 PolarHBondContact O-N 2.87Å; N382-T386 PolarHBondContact O-OG1 2.91Å; L383-T386 WeakPolarHBondContact CA-OG1 3.22Å; L383-T386 PolarHBondContact O-OG1 3.42Å; L383-T386 VanDerWaalsContact O-OG1 3.1Å; I384-T386 PolarHBondContact O-N 3.25Å; T386-L390 WeakPolarHBondContact O-CB 3.32Å; T386-L390 VanDerWaalsContact O-CG 3.24Å; T386-L390 WeakPolarHBondContact O-CG 3.46Å; T386-L390 PolarHBondContact O-N 2.7Å
387N96.1Very high96.1Very high88 Ų8895.2 Ų95.247%0.47150%0.498SS..Hα-helixtrans-65.1-39.3172.9-79.6-57.5000112L383 I384 L390 L391L383-N387 WeakPolarHBondContact O-CB 3.12Å; L383-N387 PolarHBondContact O-N 3.06Å; L383-N387 PolarHBondContact O-ND2 3.1Å; I384-N387 PolarHBondContact O-N 2.84Å; N387-L390 PolarHBondContact O-N 3.06Å; N387-L391 WeakPolarHBondContact O-CB 3.21Å; N387-L391 WeakPolarHBondContact O-CG 3.28Å; N387-L391 PolarHBondContact O-N 2.79Å
388E97.6Very high95.6Very high133 Ų13397.7 Ų97.762%0.62150%0.503SS*.Hα-helixtrans-60.9-48.4175.7-173174.2-173.600111.5I384 A385 L390 L391 E392I384-E388 PolarHBondContact O-N 3.33Å; A385-E388 PolarHBondContact O-N 3.11Å; E388-L390 PolarHBondContact O-N 2.99Å; E388-L391 PolarHBondContact O-N 3.42Å; E388-E392 WeakPolarHBondContact O-CB 3.42Å; E388-E392 PolarHBondContact O-N 2.93Å
389V96.9Very high94.9Very high84 Ų8494 Ų9451%0.50950%0.495SS..Hα-helixtrans-61.3-41.1174.8172.70000112A385 E392 Q393A385-V389 WeakPolarHBondContact O-CG2 3.46Å; A385-V389 PolarHBondContact O-N 3.24Å; V389-E392 PolarHBondContact O-N 3.35Å; V389-Q393 WeakPolarHBondContact O-CB 3.29Å; V389-Q393 VanDerWaalsContact O-CG 3.32Å; V389-Q393 WeakPolarHBondContact O-CG 3.41Å; V389-Q393 PolarHBondContact O-N 3.27Å
390L96.6Very high94Very high89 Ų8995 Ų9547%0.46650%0.5SS..Hα-helixtrans-69-34.9177.3-72.3170000112.5T386 N387 E388 N394T386-L390 WeakPolarHBondContact O-CB 3.32Å; T386-L390 VanDerWaalsContact O-CG 3.24Å; T386-L390 WeakPolarHBondContact O-CG 3.46Å; T386-L390 PolarHBondContact O-N 2.7Å; N387-L390 PolarHBondContact O-N 3.06Å; E388-L390 PolarHBondContact O-N 2.99Å; L390-N394 WeakPolarHBondContact O-CB 3.37Å; L390-N394 PolarHBondContact O-N 3.49Å; L390-N394 PolarHBondContact O-ND2 3.36Å
391L96.1Very high92.8Very high123 Ų12393.7 Ų93.764%0.64450%0.498SS*.Hα-helixtrans-67.4-43.7174.6-75.9166.9000111.1N387 E388 N394 A395N387-L391 WeakPolarHBondContact O-CB 3.21Å; N387-L391 WeakPolarHBondContact O-CG 3.28Å; N387-L391 PolarHBondContact O-N 2.79Å; E388-L391 PolarHBondContact O-N 3.42Å; L391-N394 PolarHBondContact O-N 2.86Å; L391-A395 PolarHBondContact O-N 2.97Å
392E95.6Very high91.2Very high102 Ų10297.1 Ų97.148%0.47750%0.503SS..Hα-helixtrans-63.8-44.4175.517952.6-150.300111.3E388 V389 N394 A395 Q396E388-E392 WeakPolarHBondContact O-CB 3.42Å; E388-E392 PolarHBondContact O-N 2.93Å; V389-E392 PolarHBondContact O-N 3.35Å; E392-N394 VanDerWaalsContact C-N 3.32Å; E392-N394 PolarHBondContact O-N 2.67Å; E392-A395 WeakPolarHBondContact O-CB 3.35Å; E392-A395 PolarHBondContact O-N 3.2Å; E392-A395 VanDerWaalsContact O-N 3.12Å; E392-Q396 WeakPolarHBondContact O-CG 3.47Å; E392-Q396 PolarHBondContact O-N 3.47Å; E392-Q396 WeakPolarHBondContact OE1-CG 3.2Å; E392-Q396 PolarHBondContact OE1-NE2 2.94Å
393Q95.3Very high89.4Confident87 Ų8796.6 Ų96.641%0.40750%0.504SS..Hα-helixtrans-58.6-41.8172-75.4177.7-1.400112.2V389 A395 Q396 F397V389-Q393 WeakPolarHBondContact O-CB 3.29Å; V389-Q393 VanDerWaalsContact O-CG 3.32Å; V389-Q393 WeakPolarHBondContact O-CG 3.41Å; V389-Q393 PolarHBondContact O-N 3.27Å; Q393-A395 VanDerWaalsContact C-N 3.34Å; Q393-A395 PolarHBondContact O-N 3.33Å; Q393-Q396 PolarHBondContact O-N 3.46Å; Q393-F397 HydrophobicContact CB-CE2 4.4Å; Q393-F397 WeakPolarHBondContact O-CD2 3.26Å; Q393-F397 PolarHBondContact O-N 3.06Å
394N92.4Very high87.6Confident90 Ų9098 Ų9848%0.48151%0.509SS..Hα-helixtrans-65.1-35.5175-87.4-83.4000112.8L390 L391 E392 R398L390-N394 WeakPolarHBondContact O-CB 3.37Å; L390-N394 PolarHBondContact O-N 3.49Å; L390-N394 PolarHBondContact O-ND2 3.36Å; L391-N394 PolarHBondContact O-N 2.86Å; E392-N394 VanDerWaalsContact C-N 3.32Å; E392-N394 PolarHBondContact O-N 2.67Å; N394-R398 VanDerWaalsContact O-CG 3.28Å; N394-R398 WeakPolarHBondContact O-CG 3.28Å; N394-R398 PolarHBondContact O-N 3.06Å; N394-R398 VanDerWaalsContact O-N 3.16Å
395A94.8Very high85.8Confident49 Ų4998.4 Ų98.441%0.40552%0.516SS..Hα-helixtrans-66.1-41.4172.300000111.4L391 E392 Q393 R398 S399L391-A395 PolarHBondContact O-N 2.97Å; E392-A395 WeakPolarHBondContact O-CB 3.35Å; E392-A395 PolarHBondContact O-N 3.2Å; E392-A395 VanDerWaalsContact O-N 3.12Å; Q393-A395 VanDerWaalsContact C-N 3.34Å; Q393-A395 PolarHBondContact O-N 3.33Å; A395-R398 PolarHBondContact O-N 2.69Å; A395-S399 PolarHBondContact O-N 2.85Å
396Q91.3Very high83.9Confident85 Ų85102.7 Ų102.740%0.39753%0.532SS..Hα-helixtrans-67-38.8176.6-70177.215.600113E392 Q393 R398 S399 Q400E392-Q396 WeakPolarHBondContact O-CG 3.47Å; E392-Q396 PolarHBondContact O-N 3.47Å; E392-Q396 WeakPolarHBondContact OE1-CG 3.2Å; E392-Q396 PolarHBondContact OE1-NE2 2.94Å; Q393-Q396 PolarHBondContact O-N 3.46Å; Q396-R398 VanDerWaalsContact C-N 3.33Å; Q396-R398 PolarHBondContact O-N 3.36Å; Q396-S399 WeakPolarHBondContact CA-OG 3.48Å; Q396-S399 PolarHBondContact O-N 3.09Å; Q396-S399 PolarHBondContact O-OG 3.05Å; Q396-Q400 WeakPolarHBondContact O-CB 3.43Å; Q396-Q400 VanDerWaalsContact O-CG 3.3Å; Q396-Q400 WeakPolarHBondContact O-CG 3.46Å; Q396-Q400 PolarHBondContact O-N 3.47Å
397F90.9Very high81.7Confident131 Ų131104.6 Ų104.658%0.57555%0.548SS*.Hα-helixtrans-65-37.8172.6-74.2-59.6000111.8Q393 A401Q393-F397 HydrophobicContact CB-CE2 4.4Å; Q393-F397 WeakPolarHBondContact O-CD2 3.26Å; Q393-F397 PolarHBondContact O-N 3.06Å; F397-A401 WeakPolarHBondContact O-CB 3.21Å; F397-A401 PolarHBondContact O-N 2.98Å
398R88.2Confident79.4Confident198 Ų198104.7 Ų104.775%0.74756%0.556SS**Hα-helixtrans-66.4-36.3174-72.7171.6177.1-166.8-1112.7N394 A395 Q396 K402N394-R398 VanDerWaalsContact O-CG 3.28Å; N394-R398 WeakPolarHBondContact O-CG 3.28Å; N394-R398 PolarHBondContact O-N 3.06Å; N394-R398 VanDerWaalsContact O-N 3.16Å; A395-R398 PolarHBondContact O-N 2.69Å; Q396-R398 VanDerWaalsContact C-N 3.33Å; Q396-R398 PolarHBondContact O-N 3.36Å; R398-K402 PolarHBondContact O-N 3.25Å
399S83.4Confident76.7Confident62 Ų62104.7 Ų104.743%0.43457%0.565SS.*Hα-helixtrans-75.8-40.817669.50000112.2A395 Q396 A401 K402 V403A395-S399 PolarHBondContact O-N 2.85Å; Q396-S399 WeakPolarHBondContact CA-OG 3.48Å; Q396-S399 PolarHBondContact O-N 3.09Å; Q396-S399 PolarHBondContact O-OG 3.05Å; S399-A401 PolarHBondContact O-N 3.43Å; S399-K402 CarbonylContact O-C 3.51Å; S399-K402 WeakPolarHBondContact O-CA 3.33Å; S399-K402 WeakPolarHBondContact O-CB 3.48Å; S399-K402 PolarHBondContact O-N 3.12Å; S399-V403 WeakPolarHBondContact O-CG2 3.24Å; S399-V403 PolarHBondContact O-N 2.89Å
400Q79.1Confident74.3Confident99 Ų99106.9 Ų106.946%0.46358%0.581SS.*Hα-helixtrans-61.5-43.2175-74.8-179.653.800112.1Q396 K402 V403 M404Q396-Q400 WeakPolarHBondContact O-CB 3.43Å; Q396-Q400 VanDerWaalsContact O-CG 3.3Å; Q396-Q400 WeakPolarHBondContact O-CG 3.46Å; Q396-Q400 PolarHBondContact O-N 3.47Å; Q400-K402 PolarHBondContact O-N 3.03Å; Q400-V403 PolarHBondContact O-N 3.05Å; Q400-M404 WeakPolarHBondContact O-CB 3.5Å; Q400-M404 WeakPolarHBondContact O-CG 3.44Å; Q400-M404 PolarHBondContact O-N 2.8Å
401A70.9Confident71.2Confident56 Ų56107.4 Ų107.446%0.46360%0.598SS.*Hα-helixtrans-58-33172.700000112.7F397 S399 T405F397-A401 WeakPolarHBondContact O-CB 3.21Å; F397-A401 PolarHBondContact O-N 2.98Å; S399-A401 PolarHBondContact O-N 3.43Å; A401-T405 WeakPolarHBondContact O-CG2 3.45Å; A401-T405 PolarHBondContact O-N 3.38Å; A401-T405 PolarHBondContact O-OG1 3.35Å
402K65.4Low69Low148 Ų148107.4 Ų107.464%0.64361%0.606SS**Hα-helixtrans-79.2-24.4176.2-164.5174.6-178.3-1790113.6R398 S399 Q400 T405 L406R398-K402 PolarHBondContact O-N 3.25Å; S399-K402 CarbonylContact O-C 3.51Å; S399-K402 WeakPolarHBondContact O-CA 3.33Å; S399-K402 WeakPolarHBondContact O-CB 3.48Å; S399-K402 PolarHBondContact O-N 3.12Å; Q400-K402 PolarHBondContact O-N 3.03Å; K402-T405 WeakPolarHBondContact CA-OG1 3.42Å; K402-T405 PolarHBondContact O-OG1 2.98Å; K402-L406 WeakPolarHBondContact O-CD1 3.42Å; K402-L406 VanDerWaalsContact O-CG 3.31Å; K402-L406 WeakPolarHBondContact O-CG 3.34Å
403V59.2Low66.2Low96 Ų96109 Ų10958%0.58262%0.622SS**Hα-helixtrans-82.5-43.5174.2173.10000111.1S399 Q400 T405 L406 S407S399-V403 WeakPolarHBondContact O-CG2 3.24Å; S399-V403 PolarHBondContact O-N 2.89Å; Q400-V403 PolarHBondContact O-N 3.05Å; V403-T405 PolarHBondContact O-N 3.06Å; V403-L406 PolarHBondContact O-N 2.89Å; V403-S407 PolarHBondContact O-N 3.17Å; V403-S407 VanDerWaalsContact O-N 3.17Å
404M60Low63.4Low131 Ų131112 Ų11265%0.64564%0.636SS**Hα-helixtrans-61.1-31.4177.7-69.8168.866.600112.7Q400Q400-M404 WeakPolarHBondContact O-CB 3.5Å; Q400-M404 WeakPolarHBondContact O-CG 3.44Å; Q400-M404 PolarHBondContact O-N 2.8Å
405T59.7Low60.6Low108 Ų108115 Ų11566%0.66365%0.648SS**THydrogen-bonded Turntrans-78.8-14.7175.3430000114.2A401 K402 V403A401-T405 WeakPolarHBondContact O-CG2 3.45Å; A401-T405 PolarHBondContact O-N 3.38Å; A401-T405 PolarHBondContact O-OG1 3.35Å; K402-T405 WeakPolarHBondContact CA-OG1 3.42Å; K402-T405 PolarHBondContact O-OG1 2.98Å; V403-T405 PolarHBondContact O-N 3.06Å
406L56.4Low57.6Low135 Ų135119.4 Ų119.471%0.70766%0.664SS**THydrogen-bonded Turntrans-96.5-18.5175.6-69.3172.6000113.5K402 V403 S408K402-L406 WeakPolarHBondContact O-CD1 3.42Å; K402-L406 VanDerWaalsContact O-CG 3.31Å; K402-L406 WeakPolarHBondContact O-CG 3.34Å; V403-L406 PolarHBondContact O-N 2.89Å; L406-S408 VanDerWaalsContact C-N 3.27Å; L406-S408 PolarHBondContact O-N 2.61Å
407S49.3Very low54.9Low102 Ų102123.1 Ų123.171%0.71369%0.686SS**SBendtrans-84.514.5-176.6-167.10000114.9V403V403-S407 PolarHBondContact O-N 3.17Å; V403-S407 VanDerWaalsContact O-N 3.17Å
408S47.3Very low52.2Low91 Ų91121.2 Ų121.264%0.63670%0.695SS**  trans-122.766.8-166.3-660000113.4L406L406-S408 VanDerWaalsContact C-N 3.27Å; L406-S408 PolarHBondContact O-N 2.61Å
409T41.8Very low50.5Low133 Ų133117.4 Ų117.482%0.81670%0.696SS**  trans-137.399.8169.345.20000112.1
410P45.8Very low48.8Very low129 Ų129120.5 Ų120.584%0.83871%0.714SS**  trans-92.3134.8168.233.8-29.7000111.4
411A33.1Very low46.9Very low100 Ų100122.9 Ų122.983%0.82674%0.735SS**  trans-135.3126167.500000108.9
412P49.5Very low45.1Very low123 Ų123123.4 Ų123.480%0.79975%0.746SS**  trans-103.1139.9-172.236.1-31.8000113.9
413T36.3Very low43.7Very low135 Ų135121.2 Ų121.283%0.82876%0.756SS**  trans-165.6125.9145.123.70000112.1
414E36.3Very low42.4Very low150 Ų150123.7 Ų123.770%0.70177%0.77SS**  trans61.3114.3135.5-59.5-91.365.200122.4
415Q34.3Very low41.1Very low155 Ų155122.8 Ų122.872%0.72478%0.777SS**  72.6103.9128.4-66.6-174.346.500123.8
416N31.1Very low40Very low141 Ų141121.7 Ų121.775%0.75477%0.774SS**  106.6143.4113.5-15520.8000120.9
417L33.9Very low38.9Very low162 Ų162126.2 Ų126.285%0.84878%0.783SS**  trans61.7169.2173.7-107.165.3000118.9
418A34.8Very low38.3Very low92 Ų92127.6 Ų127.676%0.7678%0.783SS**  trans-128.7-165.7-156.200000113.9
419P53.3Low38Very low118 Ų118131.6 Ų131.677%0.76679%0.791SS**  -89.8175.4-120.942.5-35.6000115.1
420P47.1Very low37.5Very low127 Ų127129.5 Ų129.583%0.82578%0.781SS**  -142.2175105.339.3-26.5000116.6
421V38.9Very low37Very low149 Ų149130.8 Ų130.890%0.90378%0.78SS**  trans-59.2142.8-177.2-174.70000114.2
422G32.4Very low36.9Very low67 Ų67130.6 Ų130.669%0.69178%0.778SS**  trans-167.994170.800000115.7
423A37.1Very low36.2Very low102 Ų102132 Ų13284%0.84377%0.774SS**  trans24.1105161.400000120.2
424V32.1Very low35.9Very low147 Ų147132.4 Ų132.489%0.89178%0.776SS**  trans-104.9110.5151.8-174.50000108
425S32.4Very low35.8Very low113 Ų113132.7 Ų132.779%0.7978%0.777SS**  trans-78.5125.7178.6-163.60000110.7
426S36.5Very low35.8Very low85 Ų85132.3 Ų132.359%0.59479%0.786SS**  trans-73.6130178.4179.20000111
427Y33Very low36Very low229 Ų229131 Ų13190%0.89878%0.784SS**  trans-135.795.8150.9-108.7-81.1000109.9
428N38Very low35.8Very low131 Ų131131.8 Ų131.870%0.70179%0.787SS**  trans-74.6150.5158.4-81.9-97.8000108.8
429H40.9Very low35.7Very low176 Ų176133 Ų13382%0.81579%0.79SS**  trans-123.4139.9137.9-154.6-75.8000109.5
430S30.7Very low34.9Very low88 Ų88133.1 Ų133.162%0.61579%0.794SS**  trans-76.8138.3-166.843.70000113.4A432S430-A432 PolarHBondContact O-N 3.43Å
431I34.2Very low34.3Very low157 Ų157132.2 Ų132.281%0.80580%0.797SS**  trans-77.3104.1155-65.1169.3000106.6Q433I431-Q433 HydrophobicContact CG2-CG 4.37Å; I431-Q433 PolarHBondContact O-N 3.15Å
432A32.5Very low33.9Very low96 Ų96128.2 Ų128.279%0.79379%0.786SS**  trans-76.5108.216800000108.8S430S430-A432 PolarHBondContact O-N 3.43Å
433Q34.5Very low33.8Very low152 Ų152133.9 Ų133.971%0.7180%0.797SS**  trans-75.8133.8178.8-67.1179.1-16.600111.4I431I431-Q433 HydrophobicContact CG2-CG 4.37Å; I431-Q433 PolarHBondContact O-N 3.15Å
434T29.4Very low33.6Very low143 Ų143137.5 Ų137.588%0.87780%0.796SS**  trans-126.7145142.549.70000108.3
435H35.1Very low33.6Very low156 Ų156135.9 Ų135.972%0.72279%0.789SS**  trans-91.3131.2-157.1-59.3-101.2000113.9
436T32.9Very low33.4Very low147 Ų147142.2 Ų142.290%0.90280%0.796SS**  trans-137129.9140.6-53.60000108.2
437T36.5Very low33.3Very low115 Ų115143.3 Ų143.371%0.70680%0.801SS**  trans-94.6129.1-170.250.60000113.1
438L28.9Very low33Very low177 Ų177139 Ų13993%0.92780%0.797SS**  trans-131.6123.1153.7-86.7172.7000109.4
439S32.3Very low32.6Very low117 Ų117139.8 Ų139.882%0.81881%0.808SS**  trans-84.2133.6-173.7-57.70000111.7
440S37.9Very low31.9Very low122 Ų122138.9 Ų138.985%0.85380%0.804SS**  trans-132.599.8163.9-69.40000108.2G442S440-G442 PolarHBondContact O-N 2.78Å; S440-G442 VanDerWaalsContact O-N 3.12Å
441A34.1Very low31.9Very low107 Ų107141.6 Ų141.688%0.88481%0.807SS**  trans-73.7102.1-179.100000110
442G30.7Very low31.5Very low65 Ų65140.5 Ų140.567%0.6780%0.802SS**  trans-76.2132.2168.700000111S440S440-G442 PolarHBondContact O-N 2.78Å; S440-G442 VanDerWaalsContact O-N 3.12Å
443M29.9Very low31.4Very low186 Ų186142.5 Ų142.592%0.91680%0.799SS**  trans-122.3123.9161.9-85.9-69.5134.600108.8
444Q33.4Very low31.3Very low178 Ų178141.4 Ų141.483%0.83280%0.802SS**  trans-86.4152.6-177-74.8-76.8-23.100111.1
445P30.5Very low31.2Very low114 Ų114138.8 Ų138.874%0.7480%0.795SS**  trans-81.6146.8-176.533.1-34.7000113.2
446R29.6Very low31.6Very low246 Ų246136.9 Ų136.993%0.92880%0.797SS**  trans-148.8162.4161.9-103.9-157.9155.7-177.2-6.1110.2
447P34.7Very low31.4Very low108 Ų108136.5 Ų136.570%0.70179%0.794SS**  trans-120.2155.9-133.716.86.2000116.8
448V26.5Very low31.1Very low137 Ų137135 Ų13583%0.8380%0.802SS**  trans49.4113.2144.7-175.60000119.4
449T30.2Very low30.9Very low149 Ų149131.2 Ų131.291%0.91480%0.796SS**  trans-143.6177135.630.70000109.8
450Q26.1Very low31.4Very low156 Ų156131.4 Ų131.473%0.72979%0.794SS**  trans-115.4178.8-161.8-168.2-177.432.700111.7
451Q30.6Very low31Very low146 Ų146130.2 Ų130.268%0.68279%0.792SS**  trans71.5149.1175.3-72.483.83000117.1
452D25.7Very low30.8Very low133 Ų133129.5 Ų129.571%0.71179%0.786SS**  cis-165170.7-31.3-149.8-15.6000110.5
453L29.6Very low31.4Very low138 Ų138132.1 Ų132.172%0.72379%0.792SS**  trans62.6127151.6-74.6156.7000122.6
454V32.6Very low32.4Very low129 Ų129128.1 Ų128.178%0.78278%0.779SS**  trans81.4124.2139.1175.40000120.5
455A27.7Very low32.3Very low88 Ų88125 Ų12573%0.72777%0.773SS**  trans-109169.7156.900000109.3
456P43.5Very low32.2Very low116 Ų116126.9 Ų126.975%0.75378%0.776SS**  -153.917187.140.8-21.9000117.9
457T27.6Very low32.2Very low139 Ų139120.1 Ų120.185%0.85377%0.773SS**  trans-12142.4160.654.60000121.2
458G30.5Very low32Very low84 Ų84119.3 Ų119.387%0.86678%0.776SS**  trans-165.6108.5157.400000114.1
459A25.9Very low33.1Very low97 Ų97118.6 Ų118.680%0.80277%0.774SS**  trans-125.2159.4165.700000106.9
460P43.2Very low34.2Very low121 Ų121116.4 Ų116.479%0.78676%0.762SS**  -156.5-169.757.243.4-21.4000117.6
461A28.3Very low34.3Very low98 Ų98115.1 Ų115.181%0.8177%0.765SS**  trans79.3133.5145.100000122.2
462A29.5Very low34.5Very low91 Ų91112.6 Ų112.675%0.75277%0.769SS**  trans-109.7167.5152.700000108.2
463P43Very low35.2Very low121 Ų121111.8 Ų111.879%0.78677%0.771SS**  -157.8-148.78441.7-18.6000112.6
464P52.7Low36.1Very low102 Ų102110.7 Ų110.766%0.66277%0.772SS**  cis-129.8178.5-49.126.2-5.1000116
465T30.1Very low36.9Very low112 Ų112109.9 Ų109.969%0.68777%0.77SS**  trans75.6125.1140.139.50000125.1
466N29.5Very low36.9Very low153 Ų153113.6 Ų113.682%0.81877%0.772SS**  116.9144.6117.6-86.5-15.8000122.6
467A29Very low36.4Very low104 Ų104115.3 Ų115.386%0.8677%0.774SS**  trans84.2145.1157.300000121.7
468A30.7Very low36.5Very low92 Ų92114.8 Ų114.876%0.7677%0.766SS**  trans-165.9-178176.700000107.4
469P50.2Low36.9Very low121 Ų121115.8 Ų115.879%0.78676%0.757SS**  cis-115.2-115.4-6.823.33.8000108.9
470P52.8Low37Very low103 Ų103120.1 Ų120.167%0.66976%0.761SS**  cis-138-175.5-28.334-11000117.5
471T28.7Very low36.7Very low129 Ų129121.2 Ų121.279%0.79176%0.758SS**  trans86.3110.314812.40000123.9
472A32.8Very low36.9Very low93 Ų93122.6 Ų122.677%0.76976%0.757SS**  trans82.5152.1131.700000123.8
473P41.8Very low37.9Very low117 Ų117123.5 Ų123.576%0.7676%0.755SS**  trans-109.8-159-17746.5-36.6000112.2
474P47.1Very low37.3Very low114 Ų114126.4 Ų126.474%0.7476%0.763SS**  cis-129.2-133.7-3.538.5-14000111.1
475P49.4Very low36.1Very low112 Ų112127 Ų12773%0.72777%0.77SS**  cis-137.5161.6-2437.5-17.7000118.9
476H28.3Very low36.1Very low167 Ų167126.7 Ų126.777%0.77378%0.778SS**  trans26.1120.1135.4-167.1-125000123.1
477L32.9Very low36.1Very low152 Ų152124.1 Ų124.180%0.79678%0.779SS**  179.2168.4118.2-100.6174.5000117
478N29.5Very low36.1Very low127 Ų127127 Ų12768%0.67978%0.779SS**  trans-78153.1-172.2178.369.5000116.5
479P40.3Very low36.1Very low106 Ų106126.5 Ų126.569%0.68878%0.775SS**  trans-106.4127.2161.535.7-25.8000113.7
480E27.6Very low35.5Very low188 Ų188129 Ų12988%0.87978%0.776SS**  trans-77.2169.1162.4-113.3-176.6115.800111.7
481I35.5Very low34.4Very low143 Ų143129.2 Ų129.273%0.73378%0.775SS**  trans-130.8151.4-172.9-38.4179.3000111
482T33.9Very low34.6Very low128 Ų128131 Ų13179%0.78578%0.778SS**  trans93.5163.9163.2820000116.2
483P49.9Very low34.4Very low110 Ų110130.7 Ų130.771%0.71478%0.775SS**  -140.8159.7-82.839.1-21.2000115.7
484L29.8Very low34Very low182 Ų182134.4 Ų134.495%0.95378%0.783SS**  trans-142.7162.1158.6-77.7-177.8000111.8
485S27.5Very low33.1Very low115 Ų115132 Ų13280%0.80478%0.779SS**  trans-151.5157.1-156.1570000115.9
486A30Very low32.2Very low104 Ų104136.3 Ų136.386%0.8679%0.792SS**  trans80.8103.8154.900000121.2
487A30.5Very low32.4Very low100 Ų100132.9 Ų132.983%0.82679%0.792SS**  trans-166.5131.9141.100000106.3
488L29.8Very low32.7Very low165 Ų165131.2 Ų131.286%0.86479%0.791SS**  cis91.2102.520.1-155.3154.8000114.5
489A30.1Very low33.3Very low81 Ų81131.1 Ų131.167%0.66980%0.797SS**  trans69.3150.5172.400000116.2
490Q36.8Very low32.8Very low174 Ų174133 Ų13381%0.81381%0.806SS**  cis-164.8161.6-1-127.8172.936.500112.9
491T30.2Very low32.9Very low107 Ų107129 Ų12966%0.65680%0.799SS**  trans81.7110.1138.2-61.60000123.7
492I31.9Very low32.7Very low166 Ų166131.1 Ų131.185%0.85181%0.808SS**  trans79.7149.7141.3-68.9174000122.1
493A29.5Very low32.6Very low86 Ų86129.2 Ų129.271%0.71181%0.805SS**  trans-80177.5179.900000113
494Q33.4Very low31.7Very low196 Ų196133.4 Ų133.492%0.91682%0.815SS**  cis-143.3168.224-56.2160.5-10.700108.1
495G28.4Very low31.6Very low64 Ų64131.3 Ų131.366%0.6681%0.81SS**  cis176.9-155.37.700000109.2
496M30.3Very low31.9Very low202 Ų202130 Ų130100%0.99581%0.806SS**  trans81.2151-177.3-51.1-58.7179.100117.4
497A32.8Very low31.7Very low95 Ų95131.6 Ų131.679%0.78581%0.805SS**  trans-139.1-175.2-173.900000108.3
498P39.8Very low31.6Very low117 Ų117132.1 Ų132.176%0.7680%0.802SS**  cis-127.6-171.912.645.2-26.9000113.6
499P40.7Very low31.7Very low124 Ų124131.1 Ų131.181%0.80580%0.803SS**  trans-96.5166-161.238.2-35.7000115.6
500V30.2Very low31.7Very low147 Ų147131.6 Ų131.689%0.89181%0.807SS**  trans-132.3140167.6-170.30000110
501S29.8Very low31.6Very low103 Ų103129.4 Ų129.472%0.7281%0.807SS**  trans-91153.2178.1-179.10000111.8
502M32.5Very low31.5Very low187 Ų187131.1 Ų131.192%0.92182%0.817SS**  trans-138141.7157.9-92.2-58.6-162.900111.4
503A31Very low31.4Very low89 Ų89127.7 Ų127.774%0.73681%0.814SS**PPolyproline II helixtrans-95.1163.3-16600000113.9
504Q30.9Very low31.3Very low197 Ų197130.3 Ų130.392%0.92182%0.821SS**PPolyproline II helixtrans-90.1136.1168.9-65.2-178.9-7.900110.2
505V28.6Very low31.2Very low139 Ų139125.8 Ų125.884%0.84281%0.811SS**PPolyproline II helixtrans-87122.7179.7176.80000109.9
506A32Very low31.3Very low88 Ų88130.7 Ų130.773%0.72782%0.819SS**  trans-107.4129170.600000110.2
507V27.6Very low31.4Very low136 Ų136127.6 Ų127.682%0.82481%0.811SS**  trans-95.1117.1174.2177.70000108.8
508S28.3Very low31.5Very low112 Ų112131.8 Ų131.878%0.78382%0.815SS**  trans-112.2132178.3-63.80000110.7
509V31.8Very low31.8Very low143 Ų143132 Ų13287%0.86782%0.816SS**  trans-106.3126.8170.1-178.40000108.2
510A29.1Very low31.5Very low91 Ų91133.8 Ų133.875%0.75282%0.817SS**PPolyproline II helixtrans-102.8144.9-173.600000112.8
511P35.9Very low32.1Very low128 Ų128132.8 Ų132.883%0.83181%0.814SS**PPolyproline II helixtrans-89.5158157.334.7-29.9000111.7
512V27.3Very low32.1Very low143 Ų143131.6 Ų131.687%0.86782%0.818SS**PPolyproline II helixtrans-79.5144.3-175.1175.60000112
513A29Very low32Very low94 Ų94130.5 Ų130.578%0.77781%0.814SS**PPolyproline II helixtrans-101.7144.9172.400000112.3
514V28.7Very low32.1Very low142 Ų142132.8 Ų132.886%0.86182%0.819SS**  trans-129.1139.2162.8-178.90000106.7
515S30.3Very low32.2Very low101 Ų101130.6 Ų130.671%0.70681%0.811SS**  trans-129133.2-166.7-1790000112
516M31.4Very low32.4Very low167 Ų167129.5 Ų129.582%0.82381%0.809SS**  trans-150.1113.8165.1-70.8-59.9163.500111.3
517T32.6Very low32.6Very low137 Ų137133.1 Ų133.184%0.8481%0.811SS**  trans48.4140.1146.249.40000123.9
518Q34.6Very low32.9Very low183 Ų183131.5 Ų131.586%0.85581%0.811SS**  trans-78176.9171.8-69.1-178.8-12.400113.1
519P46Very low33.8Very low122 Ų122132.4 Ų132.479%0.79281%0.812SS**  cis-138.1-18013.638.8-17000119.6
520I33.2Very low34.2Very low160 Ų160131.8 Ų131.882%0.82181%0.809SS**  trans-49.2158.7168.1-71.5168000113.9
521P43Very low34.8Very low126 Ų126133.3 Ų133.382%0.81881%0.811SS**  cis-130.7173.515.226.7-3.4000117.7
522G29.9Very low34.8Very low79 Ų79135.6 Ų135.681%0.81481%0.813SS**  trans171.4100.7164.200000118.4
523I30.2Very low35.3Very low164 Ų164134.5 Ų134.584%0.84181%0.806SS**  trans-44.3158.9175.4-17.5173.6000118.4
524T33.9Very low35.7Very low137 Ų137135.3 Ų135.384%0.8481%0.806SS**  trans97.2141158.170.10000119.7
525M33.3Very low36.1Very low151 Ų151138.2 Ų138.274%0.74480%0.803SS**  trans-114.9131.2178.3-90.1-72.5-64.200109.6H527M525-H527 VanDerWaalsContact CE-NE2 3.3Å; M525-H527 WeakPolarHBondContact CE-NE2 3.24Å
526S32.6Very low36.6Very low115 Ų115139.4 Ų139.480%0.80481%0.808SS**  trans-131.6100.7174.547.80000111.1A528S526-A528 PolarHBondContact O-N 2.55Å
527H36.8Very low36.9Very low165 Ų165139.4 Ų139.476%0.76481%0.81SS**  trans-76.2114.5170-82.1-79.4000110.1M525M525-H527 VanDerWaalsContact CE-NE2 3.3Å; M525-H527 WeakPolarHBondContact CE-NE2 3.24Å
528A33.5Very low37.1Very low101 Ų101137.6 Ų137.684%0.83581%0.809SS**  trans-80.9133.3166.900000110.4S526S526-A528 PolarHBondContact O-N 2.55Å
529T47.2Very low37.4Very low131 Ų131134.1 Ų134.180%0.80481%0.805SS**  trans-95137-174.9-49.60000111.6
530T39.1Very low37.1Very low130 Ų130136.8 Ų136.880%0.79881%0.807SS**  trans-121.8140.9161.951.70000110.3
531P41.7Very low37.4Very low124 Ų124134 Ų13481%0.80580%0.801SS**PPolyproline II helixtrans-87.2144.3-16633.1-35.7000113.7
532M37.6Very low37Very low176 Ų176136.1 Ų136.187%0.86780%0.803SS**PPolyproline II helixtrans-86.7137.9165.3-76.5-101.760.200110.7
533V37.4Very low37.5Very low120 Ų120143.3 Ų143.373%0.72781%0.805SS**PPolyproline II helixtrans-66.4133.6176.6178.20000110.2
534S36.9Very low38Very low110 Ų110143.3 Ų143.377%0.76981%0.805SS**  trans-110.6136.7178.3-171.40000111.1
535Y37.2Very low38.4Very low203 Ų203143 Ų14380%0.79680%0.803SS**  trans-103.7129.9173.2-75.2-86.8000110
536P41.4Very low39.1Very low126 Ų126141.8 Ų141.882%0.81880%0.804SS**  trans-78.5125.7-179.930.6-33.4000111.7
537I37.7Very low39.1Very low167 Ų167144 Ų14486%0.85681%0.806SS**  trans-90.5113.2166-60.3176.6000107.8S539I537-S539 PolarHBondContact O-N 2.8Å
538A35.8Very low39.8Very low99 Ų99141.5 Ų141.582%0.81881%0.805SS**  trans-78.2110.517800000110.8
539S42.1Very low40Very low111 Ų111148.4 Ų148.478%0.77682%0.82SS**  trans-103.2104.4171.4-1740000109.9I537I537-S539 PolarHBondContact O-N 2.8Å
540Q39.7Very low39.7Very low177 Ų177149.3 Ų149.383%0.82782%0.82SS**  trans-81.5121.9172.5-76.7-169.6-8.400110.2
541S37.9Very low39.7Very low101 Ų101150.3 Ų150.371%0.70682%0.822SS**  trans-95.7101.7174.739.50000110.3R543S541-R543 PolarHBondContact O-N 3.12Å
542M35.1Very low39.6Very low172 Ų172151.8 Ų151.885%0.84782%0.823SS**  trans-71.196174.3-73.9-67.6-79.500110.3I544M542-I544 PolarHBondContact O-N 3.2Å
543R41.2Very low39.7Very low229 Ų229150.4 Ų150.486%0.86482%0.82SS**  trans-75.2110.4170.5-69.2-175.9-179.5-1800.1109.7S541S541-R543 PolarHBondContact O-N 3.12Å
544I39.5Very low39.9Very low164 Ų164152.3 Ų152.384%0.84183%0.826SS**  trans-71.2127.8165.3-61.7170.3000107.8M542M542-I544 PolarHBondContact O-N 3.2Å
545T42.3Very low40.1Very low131 Ų131155.1 Ų155.180%0.80483%0.829SS**  trans-127.1140.5169.8-1690000109.1
546T47.6Very low40.3Very low125 Ų125151.6 Ų151.677%0.76783%0.832SS**  trans-92.4162.1-173.648.50000112.8
547L33.7Very low40.2Very low161 Ų161153.6 Ų153.684%0.84383%0.833SS**  trans-53.2152.6175-61.1166.4000112.3
548P50.7Low40.4Very low113 Ų113152.5 Ų152.573%0.73483%0.831SS**  -123.5174.280.341-34.8000112.7
549H38.8Very low40.8Very low247 Ų247157.4 Ų157.4100%1.14483%0.832SS**  cis-141.309.8-155.1-41000111.9

Retrieved 549 of 549 residues in 427.5 ms (Link to these results)