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Segmentation protein even-skipped

May play a role in determining neuronal identity. May be directly involved in specifying identity of individual neurons. Pair-rule protein required for segmentation; involved in transforming the broad, spatial, aperiodic expression patterns of the gap genes into a system of precise periodic expression patterns of the pair-rule and segmentary polarity genes.

AlphaFold DB , UniProt , Accession P06602, Species DROME (Drosophila melanogaster, Fruit fly), Gene eve, Length 376 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M46Very low49.3Very low241 Ų241157.9 Ų157.9100%1.18779%0.79SS**  0870-77.9-174.8143.200109.5
2H45.4Very low49.5Very low174 Ų174160.8 Ų160.881%0.80680%0.798SS**  trans-100.598171-70.998.8000107.6Y4H2-Y4 PolarHBondContact O-N 3.42Å
3G49.2Very low48.9Very low80 Ų80163.8 Ų163.883%0.82581%0.808SS**  trans-78.3102.6175.400000110.3R5G3-R5 PolarHBondContact O-N 3.29Å
4Y48.3Very low48.7Very low213 Ų213158.3 Ų158.384%0.83580%0.802SS**  trans-69.9110.5165-69-87.8000108.2H2 T6H2-Y4 PolarHBondContact O-N 3.42Å; Y4-T6 PolarHBondContact O-N 3.35Å
5R63Low48.6Very low197 Ų197159.1 Ų159.174%0.74380%0.801SS**  trans-81.1100.9169.7-125.1-173.1-158-158.93.5107.7G3 Y7G3-R5 PolarHBondContact O-N 3.29Å; R5-Y7 HydrophobicContact CB-CE2 4.17Å; R5-Y7 WeakPolarHBondContact CD-OH 3.16Å; R5-Y7 HydrophobicContact CG-CE2 4.42Å; R5-Y7 PolarHBondContact NH1-OH 3.47Å; R5-Y7 PolarHBondContact O-N 2.89Å
6T49.6Very low48.6Very low129 Ų129159.7 Ų159.779%0.79180%0.8SS**  trans-71117.7165.2490000108.3Y4Y4-T6 PolarHBondContact O-N 3.35Å
7Y51.9Low48.3Very low175 Ų175159.5 Ų159.569%0.68680%0.802SS**  trans-100.8106.4162.4-68.3-80.4000107.2R5R5-Y7 HydrophobicContact CB-CE2 4.17Å; R5-Y7 WeakPolarHBondContact CD-OH 3.16Å; R5-Y7 HydrophobicContact CG-CE2 4.42Å; R5-Y7 PolarHBondContact NH1-OH 3.47Å; R5-Y7 PolarHBondContact O-N 2.89Å
8N52.1Low48Very low124 Ų124154.9 Ų154.966%0.66379%0.793SS**  trans-73.3120.6170.6-158.837.4000108E10N8-E10 PolarHBondContact ND2-OE1 3.06Å; N8-E10 VanDerWaalsContact ND2-OE1 3.11Å
9M46.7Very low47.7Very low179 Ų179152.5 Ų152.588%0.88279%0.791SS**  trans-110.578169.3-87.4-93.2-173.700106.7S11M9-S11 PolarHBondContact O-N 3.3Å
10E47.3Very low47.5Very low130 Ų130151.5 Ų151.561%0.60779%0.794SS**  trans-77.6101172.8-13978.895.900108.9N8N8-E10 PolarHBondContact ND2-OE1 3.06Å; N8-E10 VanDerWaalsContact ND2-OE1 3.11Å
11S42.4Very low47.8Very low95 Ų95150.3 Ų150.366%0.66479%0.793SS**  4086125.7-43.90000118.4M9M9-S11 PolarHBondContact O-N 3.3Å
12H52.2Low47.8Very low192 Ų192145.8 Ų145.889%0.88977%0.774SS**  trans-123.685.4151.2-76.2-77000110
13H41.5Very low48.1Very low200 Ų200146.5 Ų146.593%0.92678%0.777SS**  trans-86.5118155.7-101.254.6000107.6
14A46.1Very low48.6Very low87 Ų87150.9 Ų150.972%0.71977%0.774SS**  trans-179.7112.3142.500000112.4
15H47.5Very low49Very low170 Ų170146 Ų14679%0.78777%0.768SS**  trans71.1140.4136.3-80.7-92.7000123.7
16H48.6Very low48.7Very low169 Ų169144.7 Ų144.778%0.78278%0.775SS**  trans93.693.7167.5-60-74.1000115.4
17D42.6Very low48.6Very low157 Ų157144 Ų14484%0.8477%0.77SS**  90.9131.566-167.337.8000113.3
18A43.6Very low48.5Very low77 Ų77141.3 Ų141.364%0.63677%0.772SS**  trans-2.9124.8-178.200000122.1
19S41.6Very low48.1Very low108 Ų108141.7 Ų141.776%0.75577%0.774SS**  177.2141.1110.5-78.30000112.6
20P44.2Very low48.6Very low132 Ų132140.5 Ų140.586%0.85777%0.77SS**  trans-91.9113.5-177.834.4-26.8000110.4
21V53.8Low48.5Very low127 Ų127142.1 Ų142.177%0.7778%0.782SS**  trans-119.5106.2171.3-174.40000109.4Q23V21-Q23 PolarHBondContact O-N 3.11Å
22D46.3Very low48.2Very low146 Ų146142.3 Ų142.378%0.78179%0.79SS**  trans-2.799.4153.2-119.1-77000115.2
23Q52.3Low47.8Very low189 Ų189139.1 Ų139.188%0.88378%0.784SS**  trans-110.987.5162.7-95.2174.23.300109.5V21V21-Q23 PolarHBondContact O-N 3.11Å
24K58.5Low47.5Very low172 Ų172137.5 Ų137.575%0.74878%0.777SS**  trans-57.3133.1168.5-148.2149.6-178.6166.50109.3L26K24-L26 PolarHBondContact O-N 3.08Å
25P57.2Low47.3Very low111 Ų111144.6 Ų144.672%0.72179%0.787SS**  trans-64.8121.6177.426.8-32.2000109V27P25-V27 VanDerWaalsContact C-N 3.32Å; P25-V27 PolarHBondContact O-N 3.44Å
26L56.2Low46.9Very low169 Ų169139.9 Ų139.989%0.88578%0.784SS**  trans-61.994.9169.1-78.1167000108.8K24 V28K24-L26 PolarHBondContact O-N 3.08Å; L26-V28 PolarHBondContact O-N 3.37Å
27V47.7Very low46.7Very low115 Ų115141.5 Ų141.570%0.69779%0.788SS**  trans-75.7108.2158.3173.60000105.7P25 D29P25-V27 VanDerWaalsContact C-N 3.32Å; P25-V27 PolarHBondContact O-N 3.44Å; V27-D29 VanDerWaalsContact C-N 3.3Å; V27-D29 PolarHBondContact O-N 3.28Å
28V50.6Low46.6Very low118 Ų118140.4 Ų140.472%0.71579%0.79SS**  trans-75.792.3169176.70000106.6L26 L30L26-V28 PolarHBondContact O-N 3.37Å; V28-L30 HydrophobicContact CG1-CD1 3.51Å; V28-L30 PolarHBondContact O-N 3.45Å
29D43.8Very low46.5Very low132 Ų132145.6 Ų145.671%0.70680%0.801SS**  trans-76.5104169.7-129.5-9.3000107.3V27 L31V27-D29 VanDerWaalsContact C-N 3.3Å; V27-D29 PolarHBondContact O-N 3.28Å; D29-L31 PolarHBondContact O-N 3.1Å; D29-L31 VanDerWaalsContact O-N 3.14Å
30L56.4Low47.2Very low155 Ų155146.3 Ų146.381%0.81280%0.801SS**  trans-75.9101.7170.5-111.272.2000108V28V28-L30 HydrophobicContact CG1-CD1 3.51Å; V28-L30 PolarHBondContact O-N 3.45Å
31L46Very low48.2Very low164 Ų164145.5 Ų145.586%0.85980%0.795SS**  trans-52.5131.8179.1-50.8148.3000110.9D29D29-L31 PolarHBondContact O-N 3.1Å; D29-L31 VanDerWaalsContact O-N 3.14Å
32A36.3Very low48.7Very low99 Ų99145.1 Ų145.182%0.81880%0.796SS**  trans-62.2144.4178.900000113.2
33T42.9Very low49.4Very low125 Ų125144 Ų14477%0.76780%0.796SS**  trans-134.1118152.9-56.60000108.8
34Q35.8Very low49.4Very low166 Ų166140.2 Ų140.278%0.77679%0.791SS**  trans58110.1165.2-69.4-167.7-70.600117.8
35Y42.3Very low49.7Very low236 Ų236138.2 Ų138.293%0.92580%0.795SS**  -168.8121.8114.5-95.6-71.8000108.4
36G37.3Very low48.8Very low70 Ų70139.3 Ų139.372%0.72280%0.795SS**  trans-74.3136178.600000112.5
37K45.5Very low48Very low203 Ų203139.5 Ų139.588%0.88379%0.792SS**  trans169.3126.1133-93164179.31790108.1Q39K37-Q39 PolarHBondContact O-N 3.17Å
38P39.7Very low47.4Very low134 Ų134140.2 Ų140.287%0.8780%0.8SS**  trans-78.7111.8-179.931-28.7000108.5
39Q43.1Very low46.8Very low187 Ų187142.6 Ų142.687%0.87481%0.808SS**  trans-118.6106.2168.8-151.9175.513.200108.1K37K37-Q39 PolarHBondContact O-N 3.17Å
40T55.1Low46.8Very low122 Ų122142.2 Ų142.275%0.74882%0.816SS**PPolyproline II helixtrans-61.4139.1178.942.90000110.8
41P65Low46.2Very low115 Ų115140.4 Ų140.475%0.74782%0.816SS**PPolyproline II helixtrans-71.2138.4173.428.8-31.7000110
42P65.2Low46.6Very low120 Ų120138.3 Ų138.378%0.77981%0.812SS**PPolyproline II helixtrans-70.2142.7-178.828.8-33.3000111.4
43P61.4Low46.9Very low121 Ų121141.3 Ų141.379%0.78682%0.815SS**PPolyproline II helixtrans-75.6142-179.931.5-32.4000111.1
44S52.4Low46.9Very low111 Ų111140.7 Ų140.778%0.77681%0.806SS**PPolyproline II helixtrans-69.4130.4172.1-61.70000110.2N46S44-N46 PolarHBondContact O-N 3.09Å
45P63.7Low47.4Very low129 Ų129138.5 Ų138.584%0.83881%0.81SS**  trans-80.598.5171.213.60.6000109.3
46N38.9Very low47.7Very low134 Ų134134.6 Ų134.672%0.71780%0.804SS**  trans-82.1168.3146.1-81-22.3000108.3S44S44-N46 PolarHBondContact O-N 3.09Å
47E39Very low48.1Very low173 Ų173139.4 Ų139.481%0.80881%0.813SS**  trans82.196.1175.9-34.7-65.2108.300115.4
48C35.7Very low47.9Very low130 Ų130133 Ų13388%0.87880%0.804SS**  -176.3115.3116.5-96.40000111.4
49L36.9Very low48Very low168 Ų168132 Ų13288%0.8880%0.801SS**  trans-52.7133169-63121.8000111.6
50S43.4Very low48Very low124 Ų124135.1 Ų135.187%0.86781%0.805SS**  trans179.9112.4136.6-76.90000109.7
51S45.5Very low47.4Very low117 Ų117132.4 Ų132.482%0.81880%0.801SS**  trans-75.6-170.8171.4-52.90000111.2
52P53.1Low46.4Very low120 Ų120132.9 Ų132.978%0.77981%0.807SS**  -123.7163-84.835.9-19000111.3
53D42.9Very low45.5Very low163 Ų163135.3 Ų135.387%0.87281%0.808SS**  trans-154.2150.3151.4-153-97.3000112.9
54N43.2Very low45.6Very low111 Ų111136.3 Ų136.359%0.59481%0.806SS**  trans-94.6136.3-160.5164.345.6000110
55S46.4Very low45.7Very low120 Ų120136 Ų13684%0.83980%0.801SS**  trans-162.2111.6149.2-86.70000112.6
56L47.5Very low45.2Very low154 Ų154134.8 Ų134.881%0.80680%0.801SS**  trans-50.9128.3167.5-60.8142.3000112
57N47.6Very low46Very low171 Ų171132.6 Ų132.691%0.91479%0.79SS**  trans-176.3145.2131.7-133.7-6.4000112.5
58G39.6Very low47.1Very low68 Ų68129.9 Ų129.970%0.70179%0.787SS**  trans111.573.5149.900000116.9R60G58-R60 PolarHBondContact O-N 3.33Å
59S41.6Very low48Very low115 Ų115128 Ų12880%0.80478%0.775SS**  trans-44.8121.9154-55.80000111.7
60R43.5Very low49Very low251 Ų251125.3 Ų125.395%0.94777%0.766SS**  trans164119.5141.8-88154.2-164.8-1545.9109.8G58G58-R60 PolarHBondContact O-N 3.33Å
61G43.9Very low49.9Very low65 Ų65128.9 Ų128.967%0.6776%0.76SS**  trans112.291.1168.100000113.3E63G61-E63 PolarHBondContact O-N 2.78Å
62S44.1Very low51.1Low125 Ų125134.4 Ų134.487%0.87476%0.763SS**  trans-74.770.7163.7-165.30000108I64S62-I64 PolarHBondContact O-N 3.11Å
63E45.8Very low52.4Low171 Ų171138.5 Ų138.580%0.79976%0.764SS**  trans-84.2105.3166.8-61.4-158.7171.300106.6G61 P65G61-E63 PolarHBondContact O-N 2.78Å; E63-P65 WeakPolarHBondContact O-CD 3.43Å; E63-P65 VanDerWaalsContact O-N 3.15Å
64I62.6Low54.3Low143 Ų143141 Ų14173%0.73376%0.762SS**  trans-57.1115.7175.8-61.7167.3000107.1S62 A66S62-I64 PolarHBondContact O-N 3.11Å; I64-A66 PolarHBondContact O-N 2.66Å
65P54.5Low56.2Low104 Ų104140.2 Ų140.268%0.67576%0.761SS**  trans-63115.6171-1832.3000107.3E63 D67E63-P65 WeakPolarHBondContact O-CD 3.43Å; E63-P65 VanDerWaalsContact O-N 3.15Å; P65-D67 PolarHBondContact O-N 3.39Å
66A53.5Low58.4Low103 Ų103138.9 Ų138.985%0.85176%0.757SS**  trans-70.466.5170.200000109.1I64I64-A66 PolarHBondContact O-N 2.66Å
67D56.5Low60.7Low89 Ų89134.3 Ų134.348%0.47673%0.731SS.*  trans-73.5123.6171.2-172.7-19.3000107.6P65 S69 V70P65-D67 PolarHBondContact O-N 3.39Å; D67-S69 VanDerWaalsContact CG-CB 3.43Å; D67-S69 PolarHBondContact O-N 3.37Å; D67-S69 WeakPolarHBondContact OD1-CB 3.41Å; D67-S69 PolarHBondContact OD1-N 3.48Å; D67-V70 HydrophobicContact CB-CG2 4.25Å; D67-V70 WeakPolarHBondContact O-CG2 3.49Å; D67-V70 PolarHBondContact O-N 2.99Å
68P62.2Low63.1Low116 Ų116129.8 Ų129.875%0.75371%0.71SS**THydrogen-bonded Turntrans-57.7-7.7173.724.8-34.4000113.6V70P68-V70 VanDerWaalsContact C-N 3.34Å
69S54.8Low65.8Low90 Ų90137 Ų13763%0.62972%0.716SS**THydrogen-bonded Turntrans-67.4-22.8166.4-175.40000114.5D67 R71D67-S69 VanDerWaalsContact CG-CB 3.43Å; D67-S69 PolarHBondContact O-N 3.37Å; D67-S69 WeakPolarHBondContact OD1-CB 3.41Å; D67-S69 PolarHBondContact OD1-N 3.48Å; S69-R71 PolarHBondContact O-N 3.44Å
70V57.3Low68.5Low111 Ų111135.2 Ų135.267%0.67370%0.697SS**  trans-78.636.7-179.4-1640000112D67 P68 R72D67-V70 HydrophobicContact CB-CG2 4.25Å; D67-V70 WeakPolarHBondContact O-CG2 3.49Å; D67-V70 PolarHBondContact O-N 2.99Å; P68-V70 VanDerWaalsContact C-N 3.34Å; V70-R72 PolarHBondContact O-N 3.35Å; V70-R72 VanDerWaalsContact O-N 3.12Å
71R62.9Low71.1Confident200 Ų200124.7 Ų124.776%0.75566%0.659SS**  trans-71.9105.8163.1-74.4176.169.3-168.72.6107.1S69 Y73S69-R71 PolarHBondContact O-N 3.44Å; R71-Y73 PolarHBondContact O-N 3.4Å
72R69.8Low73.6Confident233 Ų233124 Ų12488%0.87964%0.64SS**  trans-40.1119.5173.5-168.8-176.6-68.8166.6-1.4109.2V70 R74V70-R72 PolarHBondContact O-N 3.35Å; V70-R72 VanDerWaalsContact O-N 3.12Å; R72-R74 PolarHBondContact O-N 3.01Å; R72-R74 VanDerWaalsContact O-N 3.11Å
73Y81Confident76.2Confident205 Ų205119.9 Ų119.980%0.80462%0.616SS**  trans-49.7119.8-175.5-171.7-93.7000109.9R71 T75R71-Y73 PolarHBondContact O-N 3.4Å; Y73-T75 HydrophobicContact CD1-CG2 4.3Å; Y73-T75 PolarHBondContact O-N 2.92Å
74R83Confident78.7Confident216 Ų216117 Ų11782%0.81560%0.598SS**  trans-84.1114.5177.1-74.6-171.6176.3-1292.5108.3R72R72-R74 PolarHBondContact O-N 3.01Å; R72-R74 VanDerWaalsContact O-N 3.11Å
75T83.2Confident80.4Confident94 Ų94110.2 Ų110.258%0.57756%0.563SS**PPolyproline II helixtrans-74.4129.9171.354.80000110.1Y73Y73-T75 HydrophobicContact CD1-CG2 4.3Å; Y73-T75 PolarHBondContact O-N 2.92Å
76A92Very high82.4Confident93 Ų93108.7 Ų108.777%0.76955%0.547SS*.PPolyproline II helixtrans-93.1136.5167.300000109.7
77F95.7Very high84.5Confident57 Ų57110.2 Ų110.225%0.2554%0.535CS..PPolyproline II helixtrans-84.7143.3171.2-58.9-57.7000110Q81 L82 L109 T113 W117F77-Q81 HydrophobicContact CB-CB 4.29Å; F77-L82 HydrophobicContact CB-CD2 3.84Å; F77-L82 HydrophobicContact CB-CG 3.85Å; F77-L82 HydrophobicContact CD2-CD2 3.97Å; F77-L82 HydrophobicContact CG-CD2 4.27Å; F77-L109 HydrophobicContact CD1-CD1 3.77Å; F77-L109 HydrophobicContact CD1-CD2 4.11Å; F77-L109 HydrophobicContact CE1-CD1 3.7Å; F77-L109 HydrophobicContact CE1-CD2 3.94Å; F77-L109 HydrophobicContact CE1-CG 4.48Å; F77-T113 HydrophobicContact CE1-CG2 3.42Å; F77-T113 VanDerWaalsContact CE1-CG2 3.42Å; F77-T113 HydrophobicContact CZ-CG2 3.39Å; F77-W117 AromaticContact CD2-CD1 3.9Å; F77-W117 AromaticContact CE2-CD1 3.57Å; F77-W117 HydrophobicContact CE2-CG 4.48Å
78T97.3Very high86.5Confident76 Ų76107 Ų10747%0.46652%0.516SS..PPolyproline II helixtrans-68.2159171.571.50000110.5D80 Q81 L82T78-D80 PolarHBondContact O-N 3.47Å; T78-Q81 PolarHBondContact O-N 2.99Å; T78-Q81 VanDerWaalsContact OG1-CG 3.28Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.29Å; T78-Q81 PolarHBondContact OG1-N 3.39Å; T78-L82 WeakPolarHBondContact O-CG 3.29Å; T78-L82 PolarHBondContact O-N 3.06Å
79R97.2Very high88.2Confident221 Ų221101.6 Ų101.683%0.83448%0.481SS*.Hα-helixtrans-55.6-40176176.764.175150.98111.8L82 G83R79-L82 PolarHBondContact O-N 3.42Å; R79-G83 PolarHBondContact O-N 3.1Å
80D97.5Very high90.2Very high77 Ų77105.2 Ų105.241%0.41248%0.482SS..Hα-helixtrans-67.4-43-179.7178.467.5000112.5T78 L82 G83 R84T78-D80 PolarHBondContact O-N 3.47Å; D80-L82 VanDerWaalsContact C-N 3.34Å; D80-L82 PolarHBondContact O-N 3.01Å; D80-G83 PolarHBondContact O-N 3.48Å; D80-R84 VanDerWaalsContact CG-NE 3.26Å; D80-R84 WeakPolarHBondContact O-CD 3.28Å; D80-R84 WeakPolarHBondContact O-CG 3.32Å; D80-R84 PolarHBondContact O-N 3.5Å; D80-R84 IonicContact OD1-CZ 3Å; D80-R84 IonicContact OD1-NE 2.75Å; D80-R84 PolarHBondContact OD1-NE 3.33Å; D80-R84 IonicContact OD1-NH1 3.99Å; D80-R84 IonicContact OD1-NH2 3.97Å; D80-R84 PolarHBondContact OD1-NH2 3.46Å; D80-R84 IonicContact OD2-CZ 2.75Å; D80-R84 IonicContact OD2-NE 2.68Å; D80-R84 PolarHBondContact OD2-NE 3.32Å; D80-R84 VanDerWaalsContact OD2-NE 3.08Å; D80-R84 IonicContact OD2-NH1 2.78Å; D80-R84 PolarHBondContact OD2-NH1 3.22Å; D80-R84 IonicContact OD2-NH2 2.98Å; D80-R84 PolarHBondContact OD2-NH2 2.92Å
81Q97.8Very high92.1Very high29 Ų29106 Ų10614%0.13648%0.477CS..Hα-helixtrans-58.4-46172.3-74.5172.1-24.600111.5F77 T78 R84 L85 L107F77-Q81 HydrophobicContact CB-CB 4.29Å; T78-Q81 PolarHBondContact O-N 2.99Å; T78-Q81 VanDerWaalsContact OG1-CG 3.28Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.29Å; T78-Q81 PolarHBondContact OG1-N 3.39Å; Q81-R84 PolarHBondContact O-N 2.89Å; Q81-L85 WeakPolarHBondContact O-CB 3.48Å; Q81-L85 VanDerWaalsContact O-CG 3.25Å; Q81-L85 WeakPolarHBondContact O-CG 3.29Å; Q81-L85 PolarHBondContact O-N 3.43Å; Q81-L107 HydrophobicContact CG-CB 4.35Å; Q81-L107 HydrophobicContact CG-CD2 4.44Å; Q81-L107 PolarHBondContact NE2-O 3.33Å
82L97.7Very high93.6Very high52 Ų52101.6 Ų101.627%0.27247%0.465SS..Hα-helixtrans-61.3-45.4177.1-69173.5000112F77 T78 R79 D80 R84 L85 E86F77-L82 HydrophobicContact CB-CD2 3.84Å; F77-L82 HydrophobicContact CB-CG 3.85Å; F77-L82 HydrophobicContact CD2-CD2 3.97Å; F77-L82 HydrophobicContact CG-CD2 4.27Å; T78-L82 WeakPolarHBondContact O-CG 3.29Å; T78-L82 PolarHBondContact O-N 3.06Å; R79-L82 PolarHBondContact O-N 3.42Å; D80-L82 VanDerWaalsContact C-N 3.34Å; D80-L82 PolarHBondContact O-N 3.01Å; L82-R84 VanDerWaalsContact C-N 3.28Å; L82-R84 PolarHBondContact O-N 3.47Å; L82-L85 PolarHBondContact O-N 2.94Å; L82-E86 WeakPolarHBondContact O-CB 3.45Å; L82-E86 WeakPolarHBondContact O-CG 3.45Å; L82-E86 PolarHBondContact O-N 3.35Å
83G97.8Very high94.9Very high37 Ų3793.3 Ų93.338%0.38144%0.438SS..Hα-helixtrans-59.3-39-179.700000113R79 D80 K87R79-G83 PolarHBondContact O-N 3.1Å; D80-G83 PolarHBondContact O-N 3.48Å; G83-K87 WeakPolarHBondContact O-CB 3.45Å; G83-K87 PolarHBondContact O-N 3.06Å
84R97.5Very high95.7Very high111 Ų11191.2 Ų91.242%0.41943%0.43SS..Hα-helixtrans-72.2-42.4177.7-69152.8-167.8-155.7-1.2112.2D80 Q81 L82 E86 K87 E88 L107D80-R84 VanDerWaalsContact CG-NE 3.26Å; D80-R84 WeakPolarHBondContact O-CD 3.28Å; D80-R84 WeakPolarHBondContact O-CG 3.32Å; D80-R84 PolarHBondContact O-N 3.5Å; D80-R84 IonicContact OD1-CZ 3Å; D80-R84 IonicContact OD1-NE 2.75Å; D80-R84 PolarHBondContact OD1-NE 3.33Å; D80-R84 IonicContact OD1-NH1 3.99Å; D80-R84 IonicContact OD1-NH2 3.97Å; D80-R84 PolarHBondContact OD1-NH2 3.46Å; D80-R84 IonicContact OD2-CZ 2.75Å; D80-R84 IonicContact OD2-NE 2.68Å; D80-R84 PolarHBondContact OD2-NE 3.32Å; D80-R84 VanDerWaalsContact OD2-NE 3.08Å; D80-R84 IonicContact OD2-NH1 2.78Å; D80-R84 PolarHBondContact OD2-NH1 3.22Å; D80-R84 IonicContact OD2-NH2 2.98Å; D80-R84 PolarHBondContact OD2-NH2 2.92Å; Q81-R84 PolarHBondContact O-N 2.89Å; L82-R84 VanDerWaalsContact C-N 3.28Å; L82-R84 PolarHBondContact O-N 3.47Å; R84-E86 VanDerWaalsContact C-N 3.34Å; R84-K87 PolarHBondContact O-N 3.37Å; R84-E88 PolarHBondContact O-N 2.94Å; R84-E88 VanDerWaalsContact O-N 3.1Å; R84-L107 HydrophobicContact CB-CD1 4.44Å; R84-L107 HydrophobicContact CB-CD2 3.75Å; R84-L107 HydrophobicContact CG-CD2 4.16Å
85L98.3Very high96.4Very high0 Ų081.8 Ų81.80%040%0.396CS..Hα-helixtrans-61.2-42.8174.1-71.9169000111.9Q81 L82 E88 F89 L107 I114 W117 F118Q81-L85 WeakPolarHBondContact O-CB 3.48Å; Q81-L85 VanDerWaalsContact O-CG 3.25Å; Q81-L85 WeakPolarHBondContact O-CG 3.29Å; Q81-L85 PolarHBondContact O-N 3.43Å; L82-L85 PolarHBondContact O-N 2.94Å; L85-E88 PolarHBondContact O-N 2.86Å; L85-F89 WeakPolarHBondContact O-CB 3.45Å; L85-F89 PolarHBondContact O-N 3.11Å; L85-L107 HydrophobicContact CD1-CD1 4.26Å; L85-L107 HydrophobicContact CD2-CD1 3.69Å; L85-L107 HydrophobicContact CG-CD1 3.6Å; L85-I114 HydrophobicContact CD2-CD1 3.7Å; L85-I114 HydrophobicContact CD2-CG2 4.35Å; L85-W117 HydrophobicContact CB-CD2 3.96Å; L85-W117 HydrophobicContact CB-CE3 3.92Å; L85-W117 HydrophobicContact CB-CH2 3.53Å; L85-W117 HydrophobicContact CB-CZ2 3.52Å; L85-W117 HydrophobicContact CB-CZ3 3.72Å; L85-W117 HydrophobicContact CD1-CD2 3.84Å; L85-W117 HydrophobicContact CD1-CE3 4.44Å; L85-W117 HydrophobicContact CD1-CG 3.89Å; L85-W117 HydrophobicContact CD1-CZ2 4.46Å; L85-W117 HydrophobicContact CD2-CD2 4.31Å; L85-W117 HydrophobicContact CD2-CE3 4.12Å; L85-W117 HydrophobicContact CG-CD2 4.26Å; L85-W117 HydrophobicContact CG-CE3 4.39Å; L85-W117 WeakPolarHBondContact O-CH2 3.11Å; L85-W117 WeakPolarHBondContact O-CZ3 3.16Å; L85-F118 HydrophobicContact CD2-CE2 4.25Å
86E98.1Very high97.1Very high73 Ų7380.1 Ų80.134%0.34139%0.388SS..Hα-helixtrans-65.4-45.3176.4-73.7-177.7169.400111.7L82 R84 E88 F89 Y90 W117L82-E86 WeakPolarHBondContact O-CB 3.45Å; L82-E86 WeakPolarHBondContact O-CG 3.45Å; L82-E86 PolarHBondContact O-N 3.35Å; R84-E86 VanDerWaalsContact C-N 3.34Å; E86-E88 VanDerWaalsContact C-N 3.26Å; E86-E88 PolarHBondContact O-N 3.05Å; E86-F89 WeakPolarHBondContact O-CB 3.41Å; E86-F89 PolarHBondContact O-N 3.12Å; E86-F89 VanDerWaalsContact O-N 3.08Å; E86-Y90 HydrophobicContact CB-CE2 4.2Å; E86-Y90 WeakPolarHBondContact O-CD2 3.32Å; E86-Y90 PolarHBondContact O-N 2.84Å; E86-W117 HydrophobicContact CG-CH2 4.11Å; E86-W117 HydrophobicContact CG-CZ2 3.98Å
87K97.8Very high97.4Very high135 Ų13584.6 Ų84.659%0.58739%0.385SS*.Hα-helixtrans-54.2-43.2175.3-176.1176.2-177.5175.40111.9G83 R84G83-K87 WeakPolarHBondContact O-CB 3.45Å; G83-K87 PolarHBondContact O-N 3.06Å; R84-K87 PolarHBondContact O-N 3.37Å
88E97.7Very high97.5Very high20 Ų2085.9 Ų85.99%0.09340%0.399CS..Hα-helixtrans-71.6-37.6176.2-69.4-53.2131.900113.4R84 L85 E86 Y90 K91 E92 R99 L103 F118R84-E88 PolarHBondContact O-N 2.94Å; R84-E88 VanDerWaalsContact O-N 3.1Å; L85-E88 PolarHBondContact O-N 2.86Å; E86-E88 VanDerWaalsContact C-N 3.26Å; E86-E88 PolarHBondContact O-N 3.05Å; E88-Y90 VanDerWaalsContact C-N 3.25Å; E88-Y90 PolarHBondContact O-N 2.88Å; E88-K91 WeakPolarHBondContact O-CB 3.43Å; E88-K91 PolarHBondContact O-N 2.92Å; E88-K91 WeakPolarHBondContact OE1-CE 3.35Å; E88-K91 IonicContact OE1-NZ 3.85Å; E88-K91 PolarHBondContact OE1-NZ 2.94Å; E88-K91 IonicContact OE2-NZ 3.83Å; E88-E92 PolarHBondContact O-N 3.06Å; E88-R99 IonicContact OE1-CZ 2.66Å; E88-R99 IonicContact OE1-NE 2.75Å; E88-R99 IonicContact OE1-NH2 3.75Å; E88-R99 PolarHBondContact OE1-NH2 3.22Å; E88-R99 IonicContact OE2-CZ 3.71Å; E88-R99 VanDerWaalsContact OE2-CZ 3.31Å; E88-R99 IonicContact OE2-NE 3.06Å; E88-R99 PolarHBondContact OE2-NE 3.44Å; E88-R99 IonicContact OE2-NH2 3.31Å; E88-R99 PolarHBondContact OE2-NH2 2.89Å; E88-L103 HydrophobicContact CB-CD1 4.15Å; E88-L103 HydrophobicContact CG-CD1 4.04Å; E88-L103 HydrophobicContact CG-CD2 3.8Å; E88-L103 HydrophobicContact CG-CG 4.28Å; E88-F118 HydrophobicContact CB-CZ 4.17Å
89F98Very high97.5Very high4 Ų484.8 Ų84.82%0.01839%0.386CS..Hα-helixtrans-59.7-36.2175.3-176.5-98.5000112.9L85 E86 K91 E92 N93 W117 F118 R121 R122 D125L85-F89 WeakPolarHBondContact O-CB 3.45Å; L85-F89 PolarHBondContact O-N 3.11Å; E86-F89 WeakPolarHBondContact O-CB 3.41Å; E86-F89 PolarHBondContact O-N 3.12Å; E86-F89 VanDerWaalsContact O-N 3.08Å; F89-K91 VanDerWaalsContact C-N 3.32Å; F89-E92 CarbonylContact O-C 3.58Å; F89-N93 WeakPolarHBondContact CE1-OD1 3.49Å; F89-N93 HydrophobicContact CE2-CB 4.13Å; F89-N93 HydrophobicContact CZ-CB 4.38Å; F89-N93 WeakPolarHBondContact CZ-OD1 3.34Å; F89-W117 HydrophobicContact CB-CH2 4.08Å; F89-W117 HydrophobicContact CB-CZ3 4.06Å; F89-W117 HydrophobicContact CD2-CZ3 4.49Å; F89-F118 HydrophobicContact CB-CE1 4.29Å; F89-F118 HydrophobicContact CD2-CD1 4.01Å; F89-F118 HydrophobicContact CD2-CE1 4.05Å; F89-R121 HydrophobicContact CB-CG 4.46Å; F89-R121 HydrophobicContact CD1-CG 3.78Å; F89-R121 HydrophobicContact CD2-CB 4.19Å; F89-R121 HydrophobicContact CD2-CG 3.51Å; F89-R121 HydrophobicContact CE1-CG 3.8Å; F89-R121 HydrophobicContact CE2-CB 4.14Å; F89-R121 HydrophobicContact CE2-CG 3.54Å; F89-R121 HydrophobicContact CG-CG 3.63Å; F89-R121 HydrophobicContact CZ-CG 3.68Å; F89-R122 HydrophobicContact CE2-CG 3.83Å; F89-R122 HydrophobicContact CZ-CG 4.38Å; F89-D125 HydrophobicContact CE1-CB 4.44Å; F89-D125 HydrophobicContact CZ-CB 4.1Å
90Y96.4Very high97.5Very high165 Ų16576.9 Ų76.965%0.64736%0.357SS*.Hα-helixtrans-67.2-31.2175.2-71.1-62.5000113E86 E88E86-Y90 HydrophobicContact CB-CE2 4.2Å; E86-Y90 WeakPolarHBondContact O-CD2 3.32Å; E86-Y90 PolarHBondContact O-N 2.84Å; E88-Y90 VanDerWaalsContact C-N 3.25Å; E88-Y90 PolarHBondContact O-N 2.88Å
91K96.8Very high97.6Very high128 Ų12875.6 Ų75.656%0.55735%0.353SS*.Hα-helixtrans-73.5-53174-63.9174.9-178.1173.60111E88 F89E88-K91 WeakPolarHBondContact O-CB 3.43Å; E88-K91 PolarHBondContact O-N 2.92Å; E88-K91 WeakPolarHBondContact OE1-CE 3.35Å; E88-K91 IonicContact OE1-NZ 3.85Å; E88-K91 PolarHBondContact OE1-NZ 2.94Å; E88-K91 IonicContact OE2-NZ 3.83Å; F89-K91 VanDerWaalsContact C-N 3.32Å
92E95.9Very high97.6Very high108 Ų10878.7 Ų78.751%0.50537%0.368SS..  trans-138.7120.5-177.7-67.1-178.1-176.800110.1E88 F89 Y94 F118E88-E92 PolarHBondContact O-N 3.06Å; F89-E92 CarbonylContact O-C 3.58Å; E92-Y94 PolarHBondContact O-N 2.75Å; E92-Y94 VanDerWaalsContact O-N 3.17Å; E92-F118 WeakPolarHBondContact O-CE1 3Å
93N96.7Very high97.6Very high59 Ų5976.3 Ų76.332%0.31636%0.355SS..SBendtrans-70.3-13.1178.9-74.7-103000112.5F89 R122F89-N93 WeakPolarHBondContact CE1-OD1 3.49Å; F89-N93 HydrophobicContact CE2-CB 4.13Å; F89-N93 HydrophobicContact CZ-CB 4.38Å; F89-N93 WeakPolarHBondContact CZ-OD1 3.34Å; N93-R122 WeakPolarHBondContact O-CD 3.38Å
94Y98.1Very high97.6Very high160 Ų16075.1 Ų75.163%0.62734%0.342SS*.SBendtrans-128.8118.3-179.8-69.1-101.5000108.9E92E92-Y94 PolarHBondContact O-N 2.75Å; E92-Y94 VanDerWaalsContact O-N 3.17Å
95V97Very high97.6Very high19 Ų1973.3 Ų73.312%0.11535%0.351CS..  trans-86.8124.3-17968.10000111.8R99 R100 L103 F118V95-R99 HydrophobicContact CG2-CB 3.84Å; V95-R99 HydrophobicContact CG2-CG 3.87Å; V95-R100 HydrophobicContact CG1-CB 4.36Å; V95-R100 HydrophobicContact CG1-CG 4.49Å; V95-R100 HydrophobicContact CG2-CB 4.05Å; V95-R100 PolarHBondContact O-NH2 2.78Å; V95-L103 HydrophobicContact CG2-CD1 4.23Å; V95-F118 HydrophobicContact CB-CD1 4.13Å; V95-F118 HydrophobicContact CB-CD2 4.28Å; V95-F118 HydrophobicContact CB-CE1 3.96Å; V95-F118 HydrophobicContact CB-CE2 4.13Å; V95-F118 HydrophobicContact CB-CG 4.3Å; V95-F118 HydrophobicContact CB-CZ 3.97Å; V95-F118 HydrophobicContact CG1-CB 4.44Å; V95-F118 HydrophobicContact CG1-CD1 4.22Å; V95-F118 HydrophobicContact CG1-CD2 3.9Å; V95-F118 HydrophobicContact CG1-CE1 4.48Å; V95-F118 HydrophobicContact CG1-CE2 4.2Å; V95-F118 HydrophobicContact CG1-CG 3.92Å; V95-F118 HydrophobicContact CG1-CZ 4.48Å; V95-F118 HydrophobicContact CG2-CZ 4.45Å
96S97.6Very high97.6Very high58 Ų5878.5 Ų78.541%0.40638%0.375SS..  trans-66.6165.1172.371.70000111.7R99 R100S96-R99 WeakPolarHBondContact OG-CB 3.37Å; S96-R100 WeakPolarHBondContact O-CB 3.37Å; S96-R100 PolarHBondContact O-N 3.17Å
97R98Very high97.6Very high188 Ų18875.2 Ų75.271%0.70936%0.36SS*.Hα-helixtrans-62-50.5179.9-177.3178.2-175.9-178.3-0.5112.5R99 R100 C101R97-R99 VanDerWaalsContact C-N 3.34Å; R97-R99 PolarHBondContact O-N 3.46Å; R97-R100 WeakPolarHBondContact O-CB 3.1Å; R97-R100 PolarHBondContact O-N 2.98Å; R97-R100 VanDerWaalsContact O-N 3.17Å; R97-C101 PolarHBondContact O-N 3.43Å; R97-C101 VanDerWaalsContact O-N 3.1Å; R97-C101 PolarHBondContact O-SG 3.08Å
98P97.8Very high97.5Very high84 Ų8475.8 Ų75.855%0.54537%0.369SS..Hα-helixtrans-58.2-46.1179-23.934.8000112.4R100 C101 E102P98-R100 VanDerWaalsContact C-N 3.27Å; P98-R100 PolarHBondContact O-N 3.28Å; P98-C101 WeakPolarHBondContact O-CB 3.47Å; P98-C101 PolarHBondContact O-N 2.95Å; P98-C101 VanDerWaalsContact O-N 3.11Å; P98-E102 PolarHBondContact O-N 3.5Å; P98-E102 VanDerWaalsContact O-N 3.08Å
99R97.7Very high97.5Very high52 Ų5276.1 Ų76.120%0.19637%0.371CS..Hα-helixtrans-63.5-34.7179.6-17164.2-173.41460.3112.6E88 V95 S96 R97 E102 L103E88-R99 IonicContact OE1-CZ 2.66Å; E88-R99 IonicContact OE1-NE 2.75Å; E88-R99 IonicContact OE1-NH2 3.75Å; E88-R99 PolarHBondContact OE1-NH2 3.22Å; E88-R99 IonicContact OE2-CZ 3.71Å; E88-R99 VanDerWaalsContact OE2-CZ 3.31Å; E88-R99 IonicContact OE2-NE 3.06Å; E88-R99 PolarHBondContact OE2-NE 3.44Å; E88-R99 IonicContact OE2-NH2 3.31Å; E88-R99 PolarHBondContact OE2-NH2 2.89Å; V95-R99 HydrophobicContact CG2-CB 3.84Å; V95-R99 HydrophobicContact CG2-CG 3.87Å; S96-R99 WeakPolarHBondContact OG-CB 3.37Å; R97-R99 VanDerWaalsContact C-N 3.34Å; R97-R99 PolarHBondContact O-N 3.46Å; R99-E102 IonicContact CZ-OE2 4Å; R99-E102 IonicContact NH1-OE2 2.82Å; R99-E102 PolarHBondContact NH1-OE2 3.31Å; R99-E102 PolarHBondContact O-N 2.78Å; R99-L103 WeakPolarHBondContact O-CB 3.33Å; R99-L103 PolarHBondContact O-N 3.25Å
100R98.2Very high97.4Very high55 Ų5579.4 Ų79.421%0.20839%0.393CS..Hα-helixtrans-65.1-41.3175-169.8-170.7-57.5148.58.8111.7V95 S96 R97 P98 L103 A104 E111 I114V95-R100 HydrophobicContact CG1-CB 4.36Å; V95-R100 HydrophobicContact CG1-CG 4.49Å; V95-R100 HydrophobicContact CG2-CB 4.05Å; V95-R100 PolarHBondContact O-NH2 2.78Å; S96-R100 WeakPolarHBondContact O-CB 3.37Å; S96-R100 PolarHBondContact O-N 3.17Å; R97-R100 WeakPolarHBondContact O-CB 3.1Å; R97-R100 PolarHBondContact O-N 2.98Å; R97-R100 VanDerWaalsContact O-N 3.17Å; P98-R100 VanDerWaalsContact C-N 3.27Å; P98-R100 PolarHBondContact O-N 3.28Å; R100-L103 PolarHBondContact O-N 2.98Å; R100-A104 VanDerWaalsContact O-CB 3.28Å; R100-A104 WeakPolarHBondContact O-CB 3.41Å; R100-A104 PolarHBondContact O-N 3.3Å; R100-E111 WeakPolarHBondContact CD-O 3.44Å; R100-E111 HydrophobicContact CG-CB 4.08Å; R100-E111 HydrophobicContact CG-CG 4.15Å; R100-I114 HydrophobicContact CG-CB 4.01Å; R100-I114 HydrophobicContact CG-CG2 3.92Å
101C98.2Very high97.5Very high51 Ų5175.1 Ų75.135%0.34538%0.379SS..Hα-helixtrans-62.8-43.8176-59.20000111.2R97 P98 A104 A105 E111R97-C101 PolarHBondContact O-N 3.43Å; R97-C101 VanDerWaalsContact O-N 3.1Å; R97-C101 PolarHBondContact O-SG 3.08Å; P98-C101 WeakPolarHBondContact O-CB 3.47Å; P98-C101 PolarHBondContact O-N 2.95Å; P98-C101 VanDerWaalsContact O-N 3.11Å; C101-A104 WeakPolarHBondContact O-CB 3.25Å; C101-A104 PolarHBondContact O-N 3.35Å; C101-A105 PolarHBondContact O-N 3.23Å; C101-A105 VanDerWaalsContact O-N 3.09Å; C101-E111 VanDerWaalsContact SG-CD 3.51Å; C101-E111 PolarHBondContact SG-OE1 3.42Å; C101-E111 PolarHBondContact SG-OE2 3.1Å
102E98.2Very high97.5Very high94 Ų9472.6 Ų72.644%0.43938%0.378SS..Hα-helixtrans-61.2-46.9176.5-68.6167.9-163.600112.2P98 R99 A104 A105 Q106P98-E102 PolarHBondContact O-N 3.5Å; P98-E102 VanDerWaalsContact O-N 3.08Å; R99-E102 IonicContact CZ-OE2 4Å; R99-E102 IonicContact NH1-OE2 2.82Å; R99-E102 PolarHBondContact NH1-OE2 3.31Å; R99-E102 PolarHBondContact O-N 2.78Å; E102-A104 VanDerWaalsContact C-N 3.34Å; E102-A104 PolarHBondContact O-N 3.49Å; E102-A105 PolarHBondContact O-N 3.34Å; E102-Q106 VanDerWaalsContact O-CG 3.29Å; E102-Q106 WeakPolarHBondContact O-CG 3.28Å; E102-Q106 PolarHBondContact O-N 3.17Å
103L98Very high97.6Very high1 Ų169.1 Ų69.11%0.00536%0.364CS..Hα-helixtrans-62-41.2176.2-83.2176.5000112.6E88 V95 R99 R100 A105 Q106 L107 I114 F118E88-L103 HydrophobicContact CB-CD1 4.15Å; E88-L103 HydrophobicContact CG-CD1 4.04Å; E88-L103 HydrophobicContact CG-CD2 3.8Å; E88-L103 HydrophobicContact CG-CG 4.28Å; V95-L103 HydrophobicContact CG2-CD1 4.23Å; R99-L103 WeakPolarHBondContact O-CB 3.33Å; R99-L103 PolarHBondContact O-N 3.25Å; R100-L103 PolarHBondContact O-N 2.98Å; L103-A105 VanDerWaalsContact C-N 3.33Å; L103-A105 PolarHBondContact O-N 3Å; L103-Q106 PolarHBondContact O-N 2.93Å; L103-L107 HydrophobicContact CD2-CD1 4.27Å; L103-L107 VanDerWaalsContact O-CB 3.32Å; L103-L107 WeakPolarHBondContact O-CB 3.4Å; L103-L107 VanDerWaalsContact O-CG 3.29Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.06Å; L103-I114 HydrophobicContact CB-CD1 4.43Å; L103-I114 HydrophobicContact CB-CG2 4.46Å; L103-I114 HydrophobicContact CD1-CG2 4.25Å; L103-F118 HydrophobicContact CD1-CE2 4.07Å; L103-F118 HydrophobicContact CD1-CZ 4.36Å
104A98Very high97.6Very high12 Ų1266.3 Ų66.310%0.09935%0.349CS..Hα-helixtrans-59-46.2177.800000111.3R100 C101 E102 N108 L109 E111 I114R100-A104 VanDerWaalsContact O-CB 3.28Å; R100-A104 WeakPolarHBondContact O-CB 3.41Å; R100-A104 PolarHBondContact O-N 3.3Å; C101-A104 WeakPolarHBondContact O-CB 3.25Å; C101-A104 PolarHBondContact O-N 3.35Å; E102-A104 VanDerWaalsContact C-N 3.34Å; E102-A104 PolarHBondContact O-N 3.49Å; A104-N108 WeakPolarHBondContact O-CA 3.31Å; A104-N108 PolarHBondContact O-N 3Å; A104-L109 CarbonylContact C-O 3.25Å; A104-L109 WeakPolarHBondContact CA-O 3.48Å; A104-L109 WeakPolarHBondContact CB-O 3.49Å; A104-L109 PolarHBondContact O-N 2.75Å; A104-L109 VanDerWaalsContact O-N 3.1Å; A104-E111 HydrophobicContact CB-CG 3.87Å; A104-I114 HydrophobicContact CB-CG1 4.44Å
105A98Very high97.6Very high73 Ų7364.5 Ų64.560%0.60334%0.344SS*.Hα-helixtrans-65.4-45.217700000112.4C101 E102 L103 L107C101-A105 PolarHBondContact O-N 3.23Å; C101-A105 VanDerWaalsContact O-N 3.09Å; E102-A105 PolarHBondContact O-N 3.34Å; L103-A105 VanDerWaalsContact C-N 3.33Å; L103-A105 PolarHBondContact O-N 3Å; A105-L107 VanDerWaalsContact C-N 3.34Å; A105-L107 PolarHBondContact O-N 2.68Å
106Q97.6Very high97.6Very high109 Ų10967 Ų6751%0.50936%0.359SS..Hα-helixtrans-67-33-178.3-72.4175.83.400113.5E102 L103E102-Q106 VanDerWaalsContact O-CG 3.29Å; E102-Q106 WeakPolarHBondContact O-CG 3.28Å; E102-Q106 PolarHBondContact O-N 3.17Å; L103-Q106 PolarHBondContact O-N 2.93Å
107L97Very high97.6Very high5 Ų565.4 Ų65.43%0.02634%0.344CS..Hα-helixtrans-100.1-4.4-174.5-58.3-175.4000113.6Q81 R84 L85 L103 A105 L109 I114Q81-L107 HydrophobicContact CG-CB 4.35Å; Q81-L107 HydrophobicContact CG-CD2 4.44Å; Q81-L107 PolarHBondContact NE2-O 3.33Å; R84-L107 HydrophobicContact CB-CD1 4.44Å; R84-L107 HydrophobicContact CB-CD2 3.75Å; R84-L107 HydrophobicContact CG-CD2 4.16Å; L85-L107 HydrophobicContact CD1-CD1 4.26Å; L85-L107 HydrophobicContact CD2-CD1 3.69Å; L85-L107 HydrophobicContact CG-CD1 3.6Å; L103-L107 HydrophobicContact CD2-CD1 4.27Å; L103-L107 VanDerWaalsContact O-CB 3.32Å; L103-L107 WeakPolarHBondContact O-CB 3.4Å; L103-L107 VanDerWaalsContact O-CG 3.29Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.06Å; A105-L107 VanDerWaalsContact C-N 3.34Å; A105-L107 PolarHBondContact O-N 2.68Å; L107-L109 VanDerWaalsContact C-N 3.27Å; L107-L109 HydrophobicContact CB-CB 4.45Å; L107-L109 HydrophobicContact CB-CD1 4.03Å; L107-L109 HydrophobicContact CB-CG 4.08Å; L107-L109 HydrophobicContact CD1-CD1 4.43Å; L107-L109 PolarHBondContact O-N 3.08Å; L107-I114 HydrophobicContact CD1-CD1 4.2Å
108N97.4Very high97.6Very high147 Ų14756.7 Ų56.779%0.78631%0.312SS*.THydrogen-bonded Turntrans52.345.4-170.8-62.4-69000112.1A104A104-N108 WeakPolarHBondContact O-CA 3.31Å; A104-N108 PolarHBondContact O-N 3Å
109L96.2Very high97.6Very high26 Ų2657.6 Ų57.614%0.13631%0.308CS..  trans-123.2144.1178.4-66.9176.3000109.5F77 A104 L107 I114F77-L109 HydrophobicContact CD1-CD1 3.77Å; F77-L109 HydrophobicContact CD1-CD2 4.11Å; F77-L109 HydrophobicContact CE1-CD1 3.7Å; F77-L109 HydrophobicContact CE1-CD2 3.94Å; F77-L109 HydrophobicContact CE1-CG 4.48Å; A104-L109 CarbonylContact C-O 3.25Å; A104-L109 WeakPolarHBondContact CA-O 3.48Å; A104-L109 WeakPolarHBondContact CB-O 3.49Å; A104-L109 PolarHBondContact O-N 2.75Å; A104-L109 VanDerWaalsContact O-N 3.1Å; L107-L109 VanDerWaalsContact C-N 3.27Å; L107-L109 HydrophobicContact CB-CB 4.45Å; L107-L109 HydrophobicContact CB-CD1 4.03Å; L107-L109 HydrophobicContact CB-CG 4.08Å; L107-L109 HydrophobicContact CD1-CD1 4.43Å; L107-L109 PolarHBondContact O-N 3.08Å; L109-I114 HydrophobicContact CB-CD1 3.97Å; L109-I114 HydrophobicContact CB-CG1 4.47Å; L109-I114 HydrophobicContact CD1-CD1 4.01Å
110P97.3Very high97.6Very high74 Ų7459.7 Ų59.748%0.48132%0.324SS..  trans-68.9148.6176.229-33.4000110.6S112 T113 I114P110-S112 PolarHBondContact O-N 3.38Å; P110-S112 VanDerWaalsContact O-N 3.11Å; P110-T113 VanDerWaalsContact CG-OG1 3.29Å; P110-T113 WeakPolarHBondContact CG-OG1 3.35Å; P110-T113 WeakPolarHBondContact O-CA 3.45Å; P110-T113 WeakPolarHBondContact O-CB 3.49Å; P110-T113 PolarHBondContact O-N 2.95Å; P110-I114 PolarHBondContact O-N 2.84Å
111E98.1Very high97.6Very high74 Ų7458.5 Ų58.535%0.34632%0.319SS..Hα-helixtrans-54.5-34.6-179.9-73.3-171.6-116.500113.2R100 C101 A104 T113 I114 K115R100-E111 WeakPolarHBondContact CD-O 3.44Å; R100-E111 HydrophobicContact CG-CB 4.08Å; R100-E111 HydrophobicContact CG-CG 4.15Å; C101-E111 VanDerWaalsContact SG-CD 3.51Å; C101-E111 PolarHBondContact SG-OE1 3.42Å; C101-E111 PolarHBondContact SG-OE2 3.1Å; A104-E111 HydrophobicContact CB-CG 3.87Å; E111-T113 VanDerWaalsContact C-N 3.31Å; E111-T113 PolarHBondContact O-N 3.29Å; E111-I114 PolarHBondContact O-N 3.26Å; E111-K115 WeakPolarHBondContact O-CB 2.98Å; E111-K115 PolarHBondContact O-N 3.42Å
112S97.3Very high97.6Very high76 Ų7659.8 Ų59.853%0.53132%0.317SS..Hα-helixtrans-60.4-40.9175.854.80000111.9P110 K115 V116P110-S112 PolarHBondContact O-N 3.38Å; P110-S112 VanDerWaalsContact O-N 3.11Å; S112-K115 WeakPolarHBondContact O-CB 3.47Å; S112-K115 PolarHBondContact O-N 3.18Å; S112-V116 WeakPolarHBondContact O-CG2 3.37Å; S112-V116 PolarHBondContact O-N 3.29Å
113T96.5Very high97.6Very high34 Ų3459.4 Ų59.421%0.20932%0.316CS..Hα-helixtrans-67.2-42.1177-66.40000111.4F77 P110 E111 K115 V116 W117F77-T113 HydrophobicContact CE1-CG2 3.42Å; F77-T113 VanDerWaalsContact CE1-CG2 3.42Å; F77-T113 HydrophobicContact CZ-CG2 3.39Å; P110-T113 VanDerWaalsContact CG-OG1 3.29Å; P110-T113 WeakPolarHBondContact CG-OG1 3.35Å; P110-T113 WeakPolarHBondContact O-CA 3.45Å; P110-T113 WeakPolarHBondContact O-CB 3.49Å; P110-T113 PolarHBondContact O-N 2.95Å; E111-T113 VanDerWaalsContact C-N 3.31Å; E111-T113 PolarHBondContact O-N 3.29Å; T113-K115 VanDerWaalsContact C-N 3.34Å; T113-K115 PolarHBondContact O-N 3.08Å; T113-V116 PolarHBondContact O-N 3.45Å; T113-W117 WeakPolarHBondContact O-CB 3.45Å; T113-W117 PolarHBondContact O-N 2.95Å
114I97.7Very high97.4Very high1 Ų164.9 Ų64.91%0.00534%0.34CS..Hα-helixtrans-59.7-46.4173-54.3-65.8000110.2L85 R100 L103 A104 L107 L109 P110 E111 V116 W117 F118L85-I114 HydrophobicContact CD2-CD1 3.7Å; L85-I114 HydrophobicContact CD2-CG2 4.35Å; R100-I114 HydrophobicContact CG-CB 4.01Å; R100-I114 HydrophobicContact CG-CG2 3.92Å; L103-I114 HydrophobicContact CB-CD1 4.43Å; L103-I114 HydrophobicContact CB-CG2 4.46Å; L103-I114 HydrophobicContact CD1-CG2 4.25Å; A104-I114 HydrophobicContact CB-CG1 4.44Å; L107-I114 HydrophobicContact CD1-CD1 4.2Å; L109-I114 HydrophobicContact CB-CD1 3.97Å; L109-I114 HydrophobicContact CB-CG1 4.47Å; L109-I114 HydrophobicContact CD1-CD1 4.01Å; P110-I114 PolarHBondContact O-N 2.84Å; E111-I114 PolarHBondContact O-N 3.26Å; I114-V116 PolarHBondContact O-N 3.05Å; I114-W117 PolarHBondContact O-N 3.31Å; I114-F118 HydrophobicContact CG2-CD2 3.89Å; I114-F118 HydrophobicContact CG2-CE2 3.98Å; I114-F118 WeakPolarHBondContact O-CD2 3.32Å; I114-F118 PolarHBondContact O-N 3.4Å
115K97.5Very high97.3Very high122 Ų12265.7 Ų65.753%0.5334%0.343SS..Hα-helixtrans-58.2-47.5178.3-178.7-175.3176.5-175.20111.9E111 S112 T113 F118 Q119E111-K115 WeakPolarHBondContact O-CB 2.98Å; E111-K115 PolarHBondContact O-N 3.42Å; S112-K115 WeakPolarHBondContact O-CB 3.47Å; S112-K115 PolarHBondContact O-N 3.18Å; T113-K115 VanDerWaalsContact C-N 3.34Å; T113-K115 PolarHBondContact O-N 3.08Å; K115-F118 PolarHBondContact O-N 3.04Å; K115-Q119 PolarHBondContact O-N 2.89Å
116V97.3Very high97.1Very high70 Ų7067.8 Ų67.842%0.42434%0.338SS..Hα-helixtrans-66-40.2178171.70000111S112 T113 I114 F118 Q119 N120S112-V116 WeakPolarHBondContact O-CG2 3.37Å; S112-V116 PolarHBondContact O-N 3.29Å; T113-V116 PolarHBondContact O-N 3.45Å; I114-V116 PolarHBondContact O-N 3.05Å; V116-F118 PolarHBondContact O-N 3.17Å; V116-Q119 WeakPolarHBondContact O-CB 3.43Å; V116-Q119 PolarHBondContact O-N 3.26Å; V116-N120 WeakPolarHBondContact O-CB 3.45Å; V116-N120 PolarHBondContact O-N 3.23Å
117W97.9Very high96.8Very high26 Ų2671 Ų7110%0.09835%0.345CS..Hα-helixtrans-60-48176-175.196.8000111.5F77 L85 E86 F89 T113 I114 Q119 N120 R121F77-W117 AromaticContact CD2-CD1 3.9Å; F77-W117 AromaticContact CE2-CD1 3.57Å; F77-W117 HydrophobicContact CE2-CG 4.48Å; L85-W117 HydrophobicContact CB-CD2 3.96Å; L85-W117 HydrophobicContact CB-CE3 3.92Å; L85-W117 HydrophobicContact CB-CH2 3.53Å; L85-W117 HydrophobicContact CB-CZ2 3.52Å; L85-W117 HydrophobicContact CB-CZ3 3.72Å; L85-W117 HydrophobicContact CD1-CD2 3.84Å; L85-W117 HydrophobicContact CD1-CE3 4.44Å; L85-W117 HydrophobicContact CD1-CG 3.89Å; L85-W117 HydrophobicContact CD1-CZ2 4.46Å; L85-W117 HydrophobicContact CD2-CD2 4.31Å; L85-W117 HydrophobicContact CD2-CE3 4.12Å; L85-W117 HydrophobicContact CG-CD2 4.26Å; L85-W117 HydrophobicContact CG-CE3 4.39Å; L85-W117 WeakPolarHBondContact O-CH2 3.11Å; L85-W117 WeakPolarHBondContact O-CZ3 3.16Å; E86-W117 HydrophobicContact CG-CH2 4.11Å; E86-W117 HydrophobicContact CG-CZ2 3.98Å; F89-W117 HydrophobicContact CB-CH2 4.08Å; F89-W117 HydrophobicContact CB-CZ3 4.06Å; F89-W117 HydrophobicContact CD2-CZ3 4.49Å; T113-W117 WeakPolarHBondContact O-CB 3.45Å; T113-W117 PolarHBondContact O-N 2.95Å; I114-W117 PolarHBondContact O-N 3.31Å; W117-Q119 VanDerWaalsContact C-N 3.29Å; W117-Q119 PolarHBondContact O-N 2.88Å; W117-N120 PolarHBondContact O-N 2.84Å; W117-R121 HydrophobicContact CD2-CB 4.47Å; W117-R121 HydrophobicContact CE3-CB 4.17Å; W117-R121 HydrophobicContact CH2-CB 4.07Å; W117-R121 HydrophobicContact CH2-CG 3.8Å; W117-R121 HydrophobicContact CZ2-CB 4.41Å; W117-R121 HydrophobicContact CZ2-CG 4.33Å; W117-R121 HydrophobicContact CZ3-CB 3.96Å; W117-R121 HydrophobicContact CZ3-CG 4.02Å; W117-R121 VanDerWaalsContact O-CB 3.31Å; W117-R121 WeakPolarHBondContact O-CB 3.33Å; W117-R121 PolarHBondContact O-N 2.95Å
118F98.5Very high96.4Very high5 Ų575.1 Ų75.12%0.02236%0.364CS..Hα-helixtrans-63-34.3176.7-92.1-97.7000112.5L85 E88 F89 E92 V95 L103 I114 K115 V116 R122L85-F118 HydrophobicContact CD2-CE2 4.25Å; E88-F118 HydrophobicContact CB-CZ 4.17Å; F89-F118 HydrophobicContact CB-CE1 4.29Å; F89-F118 HydrophobicContact CD2-CD1 4.01Å; F89-F118 HydrophobicContact CD2-CE1 4.05Å; E92-F118 WeakPolarHBondContact O-CE1 3Å; V95-F118 HydrophobicContact CB-CD1 4.13Å; V95-F118 HydrophobicContact CB-CD2 4.28Å; V95-F118 HydrophobicContact CB-CE1 3.96Å; V95-F118 HydrophobicContact CB-CE2 4.13Å; V95-F118 HydrophobicContact CB-CG 4.3Å; V95-F118 HydrophobicContact CB-CZ 3.97Å; V95-F118 HydrophobicContact CG1-CB 4.44Å; V95-F118 HydrophobicContact CG1-CD1 4.22Å; V95-F118 HydrophobicContact CG1-CD2 3.9Å; V95-F118 HydrophobicContact CG1-CE1 4.48Å; V95-F118 HydrophobicContact CG1-CE2 4.2Å; V95-F118 HydrophobicContact CG1-CG 3.92Å; V95-F118 HydrophobicContact CG1-CZ 4.48Å; V95-F118 HydrophobicContact CG2-CZ 4.45Å; L103-F118 HydrophobicContact CD1-CE2 4.07Å; L103-F118 HydrophobicContact CD1-CZ 4.36Å; I114-F118 HydrophobicContact CG2-CD2 3.89Å; I114-F118 HydrophobicContact CG2-CE2 3.98Å; I114-F118 WeakPolarHBondContact O-CD2 3.32Å; I114-F118 PolarHBondContact O-N 3.4Å; K115-F118 PolarHBondContact O-N 3.04Å; V116-F118 PolarHBondContact O-N 3.17Å; F118-R122 WeakPolarHBondContact O-CB 3.5Å; F118-R122 WeakPolarHBondContact O-CG 3.35Å; F118-R122 PolarHBondContact O-N 3.24Å; F118-R122 VanDerWaalsContact O-N 3.08Å; F118-R122 PolarHBondContact O-NE 3.48Å
119Q97.9Very high96Very high102 Ų10275.9 Ų75.948%0.47736%0.356SS..Hα-helixtrans-64.6-51.1172.8-174.8177.519.100111.3K115 V116 W117 R121 R122 M123K115-Q119 PolarHBondContact O-N 2.89Å; V116-Q119 WeakPolarHBondContact O-CB 3.43Å; V116-Q119 PolarHBondContact O-N 3.26Å; W117-Q119 VanDerWaalsContact C-N 3.29Å; W117-Q119 PolarHBondContact O-N 2.88Å; Q119-R121 VanDerWaalsContact C-N 3.32Å; Q119-R121 PolarHBondContact O-N 3.4Å; Q119-R122 PolarHBondContact O-N 3.32Å; Q119-M123 WeakPolarHBondContact O-CG 3.49Å; Q119-M123 PolarHBondContact O-N 2.85Å
120N97.7Very high95.5Very high97 Ų9778.3 Ų78.352%0.51937%0.369SS..Hα-helixtrans-62.5-39.7178.5-71.5-19.8000111.9V116 W117 M123 K124V116-N120 WeakPolarHBondContact O-CB 3.45Å; V116-N120 PolarHBondContact O-N 3.23Å; W117-N120 PolarHBondContact O-N 2.84Å; N120-M123 PolarHBondContact O-N 2.68Å; N120-K124 PolarHBondContact O-N 3.42Å
121R98.1Very high94.4Very high29 Ų2977.1 Ų77.111%0.10937%0.365CS..Hα-helixtrans-63.7-42.5177.5-177.563.8-170100.5-4.8111.8F89 W117 Q119 K124 D125F89-R121 HydrophobicContact CB-CG 4.46Å; F89-R121 HydrophobicContact CD1-CG 3.78Å; F89-R121 HydrophobicContact CD2-CB 4.19Å; F89-R121 HydrophobicContact CD2-CG 3.51Å; F89-R121 HydrophobicContact CE1-CG 3.8Å; F89-R121 HydrophobicContact CE2-CB 4.14Å; F89-R121 HydrophobicContact CE2-CG 3.54Å; F89-R121 HydrophobicContact CG-CG 3.63Å; F89-R121 HydrophobicContact CZ-CG 3.68Å; W117-R121 HydrophobicContact CD2-CB 4.47Å; W117-R121 HydrophobicContact CE3-CB 4.17Å; W117-R121 HydrophobicContact CH2-CB 4.07Å; W117-R121 HydrophobicContact CH2-CG 3.8Å; W117-R121 HydrophobicContact CZ2-CB 4.41Å; W117-R121 HydrophobicContact CZ2-CG 4.33Å; W117-R121 HydrophobicContact CZ3-CB 3.96Å; W117-R121 HydrophobicContact CZ3-CG 4.02Å; W117-R121 VanDerWaalsContact O-CB 3.31Å; W117-R121 WeakPolarHBondContact O-CB 3.33Å; W117-R121 PolarHBondContact O-N 2.95Å; Q119-R121 VanDerWaalsContact C-N 3.32Å; Q119-R121 PolarHBondContact O-N 3.4Å; R121-K124 PolarHBondContact O-N 3.19Å; R121-D125 WeakPolarHBondContact O-CB 3.32Å; R121-D125 PolarHBondContact O-N 2.88Å
122R98Very high92.9Very high79 Ų7979 Ų7930%0.29838%0.382SS..Hα-helixtrans-63-40.1172.1-76.1-177.2-71.4150.4-3.9112.4F89 N93 F118 Q119 D125 K126F89-R122 HydrophobicContact CE2-CG 3.83Å; F89-R122 HydrophobicContact CZ-CG 4.38Å; N93-R122 WeakPolarHBondContact O-CD 3.38Å; F118-R122 WeakPolarHBondContact O-CB 3.5Å; F118-R122 WeakPolarHBondContact O-CG 3.35Å; F118-R122 PolarHBondContact O-N 3.24Å; F118-R122 VanDerWaalsContact O-N 3.08Å; F118-R122 PolarHBondContact O-NE 3.48Å; Q119-R122 PolarHBondContact O-N 3.32Å; R122-D125 PolarHBondContact O-N 3.29Å; R122-K126 WeakPolarHBondContact O-CB 3.38Å; R122-K126 PolarHBondContact O-N 3.32Å
123M96.8Very high91.6Very high85 Ų8577.7 Ų77.742%0.41938%0.375SS..Hα-helixtrans-64.1-42.1174.8-68.6-53.6-64.200111.6Q119 N120 R127Q119-M123 WeakPolarHBondContact O-CG 3.49Å; Q119-M123 PolarHBondContact O-N 2.85Å; N120-M123 PolarHBondContact O-N 2.68Å; M123-R127 WeakPolarHBondContact O-CB 3.27Å; M123-R127 VanDerWaalsContact O-CG 3.27Å; M123-R127 WeakPolarHBondContact O-CG 3.38Å; M123-R127 PolarHBondContact O-N 2.82Å
124K95.2Very high89.8Confident117 Ų11782.9 Ų82.951%0.50939%0.391SS..Hα-helixtrans-62.6-45.6173.9-175.6-179.9178.3-175.90111.5N120 R121 R127 Q128N120-K124 PolarHBondContact O-N 3.42Å; R121-K124 PolarHBondContact O-N 3.19Å; K124-R127 CarbonylContact O-C 3.54Å; K124-R127 WeakPolarHBondContact O-CB 3.27Å; K124-R127 PolarHBondContact O-N 2.79Å; K124-Q128 HydrophobicContact CG-CG 4.45Å; K124-Q128 WeakPolarHBondContact O-CB 3.33Å; K124-Q128 VanDerWaalsContact O-CG 3.3Å; K124-Q128 WeakPolarHBondContact O-CG 3.3Å; K124-Q128 PolarHBondContact O-N 3.22Å
125D95Very high88.3Confident29 Ų2986.6 Ų86.616%0.15542%0.415CS..Hα-helixtrans-61-46.6178.1-174.764.7000111.8F89 R121 R122 R127 Q128 R129F89-D125 HydrophobicContact CE1-CB 4.44Å; F89-D125 HydrophobicContact CZ-CB 4.1Å; R121-D125 WeakPolarHBondContact O-CB 3.32Å; R121-D125 PolarHBondContact O-N 2.88Å; R122-D125 PolarHBondContact O-N 3.29Å; D125-R127 PolarHBondContact O-N 3.27Å; D125-Q128 PolarHBondContact O-N 3.43Å; D125-R129 WeakPolarHBondContact O-CG 3.48Å; D125-R129 PolarHBondContact O-N 2.93Å; D125-R129 IonicContact OD1-NE 2.68Å; D125-R129 IonicContact OD1-NH2 2.89Å; D125-R129 IonicContact OD2-CZ 2.97Å; D125-R129 IonicContact OD2-NE 3.07Å; D125-R129 PolarHBondContact OD2-NE 3.28Å; D125-R129 IonicContact OD2-NH2 3.08Å; D125-R129 PolarHBondContact OD2-NH2 3.22Å
126K94.4Very high86.5Confident117 Ų11788.9 Ų88.951%0.50942%0.422SS..Hα-helixtrans-58-47.7172.4-176.9-178.2-58.6-1710111.4R122 Q128 R129 I130R122-K126 WeakPolarHBondContact O-CB 3.38Å; R122-K126 PolarHBondContact O-N 3.32Å; K126-Q128 VanDerWaalsContact C-N 3.31Å; K126-Q128 PolarHBondContact O-N 3.21Å; K126-R129 PolarHBondContact O-N 2.94Å; K126-I130 HydrophobicContact CD-CD1 4.34Å; K126-I130 HydrophobicContact CG-CD1 3.75Å; K126-I130 HydrophobicContact CG-CG1 4.42Å; K126-I130 VanDerWaalsContact O-CG1 3.27Å; K126-I130 WeakPolarHBondContact O-CG1 3.49Å; K126-I130 PolarHBondContact O-N 3.45Å
127R90.2Very high84.9Confident176 Ų17687.5 Ų87.566%0.66442%0.417SS*.Hα-helixtrans-60.2-41176.7-77.1176.3-179.5-174.7-0.1111.4M123 K124 D125 I130 A131M123-R127 WeakPolarHBondContact O-CB 3.27Å; M123-R127 VanDerWaalsContact O-CG 3.27Å; M123-R127 WeakPolarHBondContact O-CG 3.38Å; M123-R127 PolarHBondContact O-N 2.82Å; K124-R127 CarbonylContact O-C 3.54Å; K124-R127 WeakPolarHBondContact O-CB 3.27Å; K124-R127 PolarHBondContact O-N 2.79Å; D125-R127 PolarHBondContact O-N 3.27Å; R127-I130 CarbonylContact O-C 3.44Å; R127-I130 PolarHBondContact O-N 2.69Å; R127-A131 VanDerWaalsContact O-CA 3.31Å; R127-A131 WeakPolarHBondContact O-CA 3.27Å; R127-A131 WeakPolarHBondContact O-CB 3.19Å; R127-A131 PolarHBondContact O-N 3.28Å
128Q90.2Very high83.2Confident91 Ų9187.4 Ų87.443%0.42542%0.422SS..Hα-helixtrans-64.2-42.9177.2-74.6172.2-41.200111.6K124 D125 K126 A131 V132K124-Q128 HydrophobicContact CG-CG 4.45Å; K124-Q128 WeakPolarHBondContact O-CB 3.33Å; K124-Q128 VanDerWaalsContact O-CG 3.3Å; K124-Q128 WeakPolarHBondContact O-CG 3.3Å; K124-Q128 PolarHBondContact O-N 3.22Å; D125-Q128 PolarHBondContact O-N 3.43Å; K126-Q128 VanDerWaalsContact C-N 3.31Å; K126-Q128 PolarHBondContact O-N 3.21Å; Q128-A131 PolarHBondContact O-N 2.8Å; Q128-V132 WeakPolarHBondContact O-CG2 3.32Å; Q128-V132 PolarHBondContact O-N 3.42Å
129R88.3Confident81.4Confident164 Ų16490.1 Ų90.162%0.61944%0.439SS*.Hα-helixtrans-64.5-39.7176.3-66.9176.7-162.5-1544.7113.1D125 K126D125-R129 WeakPolarHBondContact O-CG 3.48Å; D125-R129 PolarHBondContact O-N 2.93Å; D125-R129 IonicContact OD1-NE 2.68Å; D125-R129 IonicContact OD1-NH2 2.89Å; D125-R129 IonicContact OD2-CZ 2.97Å; D125-R129 IonicContact OD2-NE 3.07Å; D125-R129 PolarHBondContact OD2-NE 3.28Å; D125-R129 IonicContact OD2-NH2 3.08Å; D125-R129 PolarHBondContact OD2-NH2 3.22Å; K126-R129 PolarHBondContact O-N 2.94Å
130I84.9Confident79.5Confident76 Ų7694.4 Ų94.439%0.3945%0.452SS..Hα-helixtrans-79.7-27.8175.3-48163.6000109.4K126 R127 V132 A133 W134K126-I130 HydrophobicContact CD-CD1 4.34Å; K126-I130 HydrophobicContact CG-CD1 3.75Å; K126-I130 HydrophobicContact CG-CG1 4.42Å; K126-I130 VanDerWaalsContact O-CG1 3.27Å; K126-I130 WeakPolarHBondContact O-CG1 3.49Å; K126-I130 PolarHBondContact O-N 3.45Å; R127-I130 CarbonylContact O-C 3.44Å; R127-I130 PolarHBondContact O-N 2.69Å; I130-V132 PolarHBondContact O-N 3.48Å; I130-A133 CarbonylContact O-C 3.36Å; I130-A133 VanDerWaalsContact O-C 3.25Å; I130-A133 WeakPolarHBondContact O-CA 3.1Å; I130-A133 VanDerWaalsContact O-CB 3.27Å; I130-A133 WeakPolarHBondContact O-CB 3.31Å; I130-A133 PolarHBondContact O-N 2.78Å; I130-W134 HydrophobicContact CG2-CG 4.2Å; I130-W134 PolarHBondContact O-N 3.4Å
131A74.5Confident78.1Confident50 Ų5094.1 Ų94.141%0.41346%0.458SS..Hα-helixtrans-69.3-21.7-176.700000112.5R127 Q128 A133 W134 P135R127-A131 VanDerWaalsContact O-CA 3.31Å; R127-A131 WeakPolarHBondContact O-CA 3.27Å; R127-A131 WeakPolarHBondContact O-CB 3.19Å; R127-A131 PolarHBondContact O-N 3.28Å; Q128-A131 PolarHBondContact O-N 2.8Å; A131-A133 PolarHBondContact O-N 2.65Å; A131-W134 PolarHBondContact O-N 3.3Å; A131-P135 WeakPolarHBondContact O-CD 2.95Å
132V68Low76.7Confident114 Ų11496.2 Ų96.269%0.69147%0.471SS*.THydrogen-bonded Turntrans-66.6-29.2166.1-1360000111.2Q128 I130Q128-V132 WeakPolarHBondContact O-CG2 3.32Å; Q128-V132 PolarHBondContact O-N 3.42Å; I130-V132 PolarHBondContact O-N 3.48Å
133A68.3Low75.4Confident48 Ų4897.5 Ų97.540%0.39749%0.49SS..THydrogen-bonded Turntrans-91.8-23.9173.700000113.5I130 A131 Y136 A137I130-A133 CarbonylContact O-C 3.36Å; I130-A133 VanDerWaalsContact O-C 3.25Å; I130-A133 WeakPolarHBondContact O-CA 3.1Å; I130-A133 VanDerWaalsContact O-CB 3.27Å; I130-A133 WeakPolarHBondContact O-CB 3.31Å; I130-A133 PolarHBondContact O-N 2.78Å; A131-A133 PolarHBondContact O-N 2.65Å; A133-Y136 CarbonylContact O-C 3.56Å; A133-Y136 WeakPolarHBondContact O-CA 3.36Å; A133-Y136 WeakPolarHBondContact O-CB 3.37Å; A133-Y136 PolarHBondContact O-N 3.32Å; A133-A137 WeakPolarHBondContact O-CB 3.38Å; A133-A137 PolarHBondContact O-N 3.22Å
134W58.8Low74.5Confident143 Ų14396.5 Ų96.554%0.54250%0.495SS..Hα-helixtrans-64.5-34.6-175.2-83.8103.9000115.9I130 A131 Y136 A137 A138I130-W134 HydrophobicContact CG2-CG 4.2Å; I130-W134 PolarHBondContact O-N 3.4Å; A131-W134 PolarHBondContact O-N 3.3Å; W134-Y136 PolarHBondContact O-N 3.11Å; W134-A137 PolarHBondContact O-N 3Å; W134-A138 VanDerWaalsContact O-CB 3.24Å; W134-A138 WeakPolarHBondContact O-CB 3.43Å; W134-A138 PolarHBondContact O-N 3.01Å
135P65.8Low73.8Confident78 Ų7895.5 Ų95.551%0.50649%0.491SS..Hα-helixtrans-64.2-27.917122.7-29.5000111A131 V139A131-P135 WeakPolarHBondContact O-CD 2.95Å; P135-V139 WeakPolarHBondContact O-CG2 2.86Å
136Y61.2Low72.9Confident170 Ų17094.7 Ų94.767%0.66749%0.488SS*.Hα-helixtrans-81-42.5171.4-78.7-87.1000112.2A133 W134 V139 Y140A133-Y136 CarbonylContact O-C 3.56Å; A133-Y136 WeakPolarHBondContact O-CA 3.36Å; A133-Y136 WeakPolarHBondContact O-CB 3.37Å; A133-Y136 PolarHBondContact O-N 3.32Å; W134-Y136 PolarHBondContact O-N 3.11Å; Y136-V139 PolarHBondContact O-N 3.21Å; Y136-Y140 VanDerWaalsContact O-CD2 3.32Å; Y136-Y140 WeakPolarHBondContact O-CD2 3.06Å; Y136-Y140 PolarHBondContact O-N 2.69Å
137A62.8Low72.1Confident41 Ų4191.8 Ų91.834%0.33949%0.486SS..Hα-helixtrans-70.6-35.3-175.600000112.3A133 W134 V139 Y140 S141A133-A137 WeakPolarHBondContact O-CB 3.38Å; A133-A137 PolarHBondContact O-N 3.22Å; W134-A137 PolarHBondContact O-N 3Å; A137-V139 VanDerWaalsContact C-N 3.34Å; A137-Y140 PolarHBondContact O-N 3.48Å; A137-S141 WeakPolarHBondContact O-CB 3.32Å; A137-S141 PolarHBondContact O-N 2.76Å; A137-S141 PolarHBondContact O-OG 3.35Å
138A62.1Low71.8Confident24 Ų2487 Ų8720%0.19848%0.479CS..Hα-helixtrans-68.8-33.4174.600000112.3W134 Y140 S141 F145W134-A138 VanDerWaalsContact O-CB 3.24Å; W134-A138 WeakPolarHBondContact O-CB 3.43Å; W134-A138 PolarHBondContact O-N 3.01Å; A138-Y140 VanDerWaalsContact C-N 3.34Å; A138-S141 WeakPolarHBondContact CA-OG 3.24Å; A138-S141 PolarHBondContact O-OG 3.03Å; A138-F145 HydrophobicContact CB-CD1 4.32Å; A138-F145 HydrophobicContact CB-CE1 4.05Å
139V61.9Low71.5Confident62 Ų6286.7 Ų86.738%0.37648%0.48SS..Hα-helixtrans-73.7-26.6175.6174.40000111.5P135 Y136 A137 A146P135-V139 WeakPolarHBondContact O-CG2 2.86Å; Y136-V139 PolarHBondContact O-N 3.21Å; A137-V139 VanDerWaalsContact C-N 3.34Å; V139-A146 HydrophobicContact CB-CB 4.37Å; V139-A146 HydrophobicContact CG1-CB 3.73Å; V139-A146 WeakPolarHBondContact O-CB 3.16Å
140Y57.2Low71.1Confident193 Ų19384.7 Ų84.776%0.75748%0.481SS*.Hα-helixtrans-96.1-20.5175.8-84.8-81000114.7Y136 A137 A138 D142Y136-Y140 VanDerWaalsContact O-CD2 3.32Å; Y136-Y140 WeakPolarHBondContact O-CD2 3.06Å; Y136-Y140 PolarHBondContact O-N 2.69Å; A137-Y140 PolarHBondContact O-N 3.48Å; A138-Y140 VanDerWaalsContact C-N 3.34Å; Y140-D142 VanDerWaalsContact C-N 3.35Å
141S69.3Low70.9Confident91 Ų9185.7 Ų85.764%0.63648%0.484SS*.Hα-helixtrans-75.7-26.3-179.857.70000112.8A137 A138A137-S141 WeakPolarHBondContact O-CB 3.32Å; A137-S141 PolarHBondContact O-N 2.76Å; A137-S141 PolarHBondContact O-OG 3.35Å; A138-S141 WeakPolarHBondContact CA-OG 3.24Å; A138-S141 PolarHBondContact O-OG 3.03Å
142D68.1Low71.3Confident73 Ų7386.1 Ų86.139%0.3949%0.487SS..  trans-143.5108.9175.5-178.16.5000110.7Y140 A144 F145 A146Y140-D142 VanDerWaalsContact C-N 3.35Å; D142-A144 PolarHBondContact O-N 2.84Å; D142-A144 VanDerWaalsContact OD1-CB 3.25Å; D142-A144 WeakPolarHBondContact OD1-CB 3.34Å; D142-A144 PolarHBondContact OD1-N 3.18Å; D142-F145 HydrophobicContact CB-CB 3.89Å; D142-F145 PolarHBondContact O-N 3.29Å; D142-F145 PolarHBondContact OD2-N 3.32Å; D142-A146 PolarHBondContact O-N 2.86Å; D142-A146 VanDerWaalsContact O-N 3.12Å
143P71.3Confident72.1Confident106 Ų10682.8 Ų82.869%0.68847%0.472SS*.Hα-helixtrans-59.5-24.4175.224.5-32.6000112.8A147P143-A147 WeakPolarHBondContact O-CB 3.41Å; P143-A147 PolarHBondContact O-N 3.33Å
144A77.2Confident72.4Confident63 Ų6382.2 Ų82.252%0.52147%0.467SS..Hα-helixtrans-74.8-40.7176.300000112.2D142 A147 S148D142-A144 PolarHBondContact O-N 2.84Å; D142-A144 VanDerWaalsContact OD1-CB 3.25Å; D142-A144 WeakPolarHBondContact OD1-CB 3.34Å; D142-A144 PolarHBondContact OD1-N 3.18Å; A144-A147 PolarHBondContact O-N 3.12Å; A144-S148 WeakPolarHBondContact O-CB 3.25Å; A144-S148 PolarHBondContact O-N 3.19Å
145F79.7Confident73.3Confident97 Ų9780.9 Ų80.943%0.42547%0.47SS..Hα-helixtrans-63.8-41.9173.8-176-107.4000111.7A138 D142 S148 I149A138-F145 HydrophobicContact CB-CD1 4.32Å; A138-F145 HydrophobicContact CB-CE1 4.05Å; D142-F145 HydrophobicContact CB-CB 3.89Å; D142-F145 PolarHBondContact O-N 3.29Å; D142-F145 PolarHBondContact OD2-N 3.32Å; F145-S148 WeakPolarHBondContact O-CB 3.47Å; F145-S148 PolarHBondContact O-N 3.23Å; F145-I149 HydrophobicContact CD1-CD1 4.24Å; F145-I149 HydrophobicContact CE1-CD1 3.52Å; F145-I149 HydrophobicContact CE1-CG1 4.32Å; F145-I149 HydrophobicContact CE2-CD1 4.44Å; F145-I149 HydrophobicContact CZ-CD1 3.65Å; F145-I149 HydrophobicContact CZ-CG1 4.26Å; F145-I149 PolarHBondContact O-N 2.91Å
146A75.7Confident73.8Confident12 Ų1281.7 Ų81.710%0.09948%0.478CS..Hα-helixtrans-59.5-47173.200000112.5V139 D142 S148 I149 L150V139-A146 HydrophobicContact CB-CB 4.37Å; V139-A146 HydrophobicContact CG1-CB 3.73Å; V139-A146 WeakPolarHBondContact O-CB 3.16Å; D142-A146 PolarHBondContact O-N 2.86Å; D142-A146 VanDerWaalsContact O-N 3.12Å; A146-S148 VanDerWaalsContact C-N 3.3Å; A146-S148 PolarHBondContact O-N 3.18Å; A146-I149 PolarHBondContact O-N 3.36Å; A146-L150 WeakPolarHBondContact O-CB 3.35Å; A146-L150 WeakPolarHBondContact O-CG 3.19Å; A146-L150 PolarHBondContact O-N 3.25Å
147A78.5Confident74.1Confident55 Ų5578.4 Ų78.446%0.45548%0.476SS..Hα-helixtrans-61.7-37.8175.900000111.9P143 A144 L150 Q151P143-A147 WeakPolarHBondContact O-CB 3.41Å; P143-A147 PolarHBondContact O-N 3.33Å; A144-A147 PolarHBondContact O-N 3.12Å; A147-L150 PolarHBondContact O-N 3.02Å; A147-Q151 WeakPolarHBondContact O-CB 3.46Å; A147-Q151 PolarHBondContact O-N 3.28Å
148S84.7Confident73.9Confident76 Ų7679.4 Ų79.453%0.53149%0.49SS..Hα-helixtrans-64.6-46.1177-176.50000112.5A144 F145 A146 Q151 A152A144-S148 WeakPolarHBondContact O-CB 3.25Å; A144-S148 PolarHBondContact O-N 3.19Å; F145-S148 WeakPolarHBondContact O-CB 3.47Å; F145-S148 PolarHBondContact O-N 3.23Å; A146-S148 VanDerWaalsContact C-N 3.3Å; A146-S148 PolarHBondContact O-N 3.18Å; S148-Q151 PolarHBondContact O-N 3.42Å; S148-A152 WeakPolarHBondContact O-CB 3.34Å; S148-A152 PolarHBondContact O-N 2.88Å
149I82.7Confident73.7Confident85 Ų8584.5 Ų84.544%0.43651%0.511SS..Hα-helixtrans-63.1-44.1175.4-68.1-172.4000110.8F145 A146 A152 A153F145-I149 HydrophobicContact CD1-CD1 4.24Å; F145-I149 HydrophobicContact CE1-CD1 3.52Å; F145-I149 HydrophobicContact CE1-CG1 4.32Å; F145-I149 HydrophobicContact CE2-CD1 4.44Å; F145-I149 HydrophobicContact CZ-CD1 3.65Å; F145-I149 HydrophobicContact CZ-CG1 4.26Å; F145-I149 PolarHBondContact O-N 2.91Å; A146-I149 PolarHBondContact O-N 3.36Å; I149-A152 PolarHBondContact O-N 3.04Å; I149-A153 WeakPolarHBondContact O-CB 3.28Å; I149-A153 PolarHBondContact O-N 2.8Å
150L81.4Confident73.5Confident122 Ų12286.9 Ų86.964%0.63953%0.528SS*.Hα-helixtrans-64.5-40177.7-75.5169.9000112.2A146 A147 A153 A154A146-L150 WeakPolarHBondContact O-CB 3.35Å; A146-L150 WeakPolarHBondContact O-CG 3.19Å; A146-L150 PolarHBondContact O-N 3.25Å; A147-L150 PolarHBondContact O-N 3.02Å; L150-A153 PolarHBondContact O-N 3.44Å; L150-A154 WeakPolarHBondContact O-CB 3.49Å; L150-A154 PolarHBondContact O-N 2.88Å
151Q80.3Confident73.2Confident96 Ų9686.3 Ų86.345%0.44953%0.525SS..Hα-helixtrans-66.7-41.2175.9-173.665.341.400111.3A147 S148 A153 A154 N155A147-Q151 WeakPolarHBondContact O-CB 3.46Å; A147-Q151 PolarHBondContact O-N 3.28Å; S148-Q151 PolarHBondContact O-N 3.42Å; Q151-A153 VanDerWaalsContact C-N 3.35Å; Q151-A154 PolarHBondContact O-N 3.38Å; Q151-N155 PolarHBondContact NE2-OD1 3.33Å; Q151-N155 WeakPolarHBondContact O-CB 3.36Å; Q151-N155 PolarHBondContact O-N 3.06Å; Q151-N155 PolarHBondContact O-OD1 3.14Å
152A83.4Confident72.6Confident59 Ų5985 Ų8549%0.48852%0.515SS..Hα-helixtrans-63.7-41.6174.500000111.3S148 I149 N155 S156S148-A152 WeakPolarHBondContact O-CB 3.34Å; S148-A152 PolarHBondContact O-N 2.88Å; I149-A152 PolarHBondContact O-N 3.04Å; A152-N155 PolarHBondContact O-N 3.43Å; A152-S156 WeakPolarHBondContact O-CB 3.46Å; A152-S156 PolarHBondContact O-N 3.25Å; A152-S156 PolarHBondContact O-OG 2.8Å
153A83.5Confident71.9Confident44 Ų4487.4 Ų87.436%0.36454%0.535SS..Hα-helixtrans-62.8-46173.600000111.4I149 L150 Q151 N155 S156 V157I149-A153 WeakPolarHBondContact O-CB 3.28Å; I149-A153 PolarHBondContact O-N 2.8Å; L150-A153 PolarHBondContact O-N 3.44Å; Q151-A153 VanDerWaalsContact C-N 3.35Å; A153-N155 VanDerWaalsContact C-N 3.32Å; A153-N155 PolarHBondContact O-N 2.99Å; A153-S156 WeakPolarHBondContact CA-OG 3.46Å; A153-S156 PolarHBondContact O-N 3.4Å; A153-S156 VanDerWaalsContact O-N 3.1Å; A153-S156 PolarHBondContact O-OG 3.32Å; A153-V157 WeakPolarHBondContact O-CG2 3.4Å; A153-V157 PolarHBondContact O-N 3.05Å; A153-V157 VanDerWaalsContact O-N 3.14Å
154A75.8Confident71.2Confident36 Ų3691.4 Ų91.430%0.29854%0.537SS..Hα-helixtrans-60.5-40.1177.100000112.3L150 Q151 S156L150-A154 WeakPolarHBondContact O-CB 3.49Å; L150-A154 PolarHBondContact O-N 2.88Å; Q151-A154 PolarHBondContact O-N 3.38Å; A154-S156 VanDerWaalsContact C-N 3.34Å
155N76.4Confident69.9Low115 Ų11591.5 Ų91.562%0.61554%0.538SS*.Hα-helixtrans-68.3-33.6175.5-69.6-1.6000112.1Q151 A152 A153Q151-N155 PolarHBondContact NE2-OD1 3.33Å; Q151-N155 WeakPolarHBondContact O-CB 3.36Å; Q151-N155 PolarHBondContact O-N 3.06Å; Q151-N155 PolarHBondContact O-OD1 3.14Å; A152-N155 PolarHBondContact O-N 3.43Å; A153-N155 VanDerWaalsContact C-N 3.32Å; A153-N155 PolarHBondContact O-N 2.99Å
156S76.1Confident68.6Low96 Ų9691.8 Ų91.867%0.67155%0.55SS*.Hα-helixtrans-74.6-24.3179.771.70000114.2A152 A153 A154A152-S156 WeakPolarHBondContact O-CB 3.46Å; A152-S156 PolarHBondContact O-N 3.25Å; A152-S156 PolarHBondContact O-OG 2.8Å; A153-S156 WeakPolarHBondContact CA-OG 3.46Å; A153-S156 PolarHBondContact O-N 3.4Å; A153-S156 VanDerWaalsContact O-N 3.1Å; A153-S156 PolarHBondContact O-OG 3.32Å; A154-S156 VanDerWaalsContact C-N 3.34Å
157V68.7Low67.5Low101 Ų10195 Ų9561%0.61258%0.576SS**THydrogen-bonded Turntrans-92.11-178.7-175.50000112A153 M159A153-V157 WeakPolarHBondContact O-CG2 3.4Å; A153-V157 PolarHBondContact O-N 3.05Å; A153-V157 VanDerWaalsContact O-N 3.14Å; V157-M159 HydrophobicContact CB-CG 4.31Å; V157-M159 HydrophobicContact CG1-CG 4.01Å; V157-M159 HydrophobicContact CG1-SD 4.37Å; V157-M159 PolarHBondContact O-N 3.33Å; V157-M159 VanDerWaalsContact O-N 3.12Å
158G58.2Low66.2Low62 Ų6296.3 Ų96.364%0.63959%0.587SS**THydrogen-bonded Turntrans55.833.1176.200000112.8P160G158-P160 WeakPolarHBondContact O-CD 3.32Å
159M58.7Low64.7Low131 Ų13195.8 Ų95.865%0.64559%0.588SS**  trans-69.9116.4179.1-75-61.8-71.200108.9V157 Y161V157-M159 HydrophobicContact CB-CG 4.31Å; V157-M159 HydrophobicContact CG1-CG 4.01Å; V157-M159 HydrophobicContact CG1-SD 4.37Å; V157-M159 PolarHBondContact O-N 3.33Å; V157-M159 VanDerWaalsContact O-N 3.12Å; M159-Y161 PolarHBondContact O-N 3.35Å; M159-Y161 VanDerWaalsContact O-N 3.09Å
160P57.2Low63.4Low111 Ų11194.6 Ų94.672%0.72159%0.59SS**  trans-68.8111174.126.9-28.9000107.9G158 P162G158-P160 WeakPolarHBondContact O-CD 3.32Å; P160-P162 WeakPolarHBondContact O-CD 3.45Å
161Y49.9Very low62.1Low181 Ų18191.4 Ų91.471%0.7158%0.581SS**  trans-59127.1167.4-106.2-93000108.4M159M159-Y161 PolarHBondContact O-N 3.35Å; M159-Y161 VanDerWaalsContact O-N 3.09Å
162P57Low60.9Low65 Ų6589.6 Ų89.642%0.42258%0.583SS.*  trans-63.4136.3168.924.5-30.7000109.6P160 Y164P160-P162 WeakPolarHBondContact O-CD 3.45Å; P162-Y164 HydrophobicContact CB-CD1 4.48Å; P162-Y164 HydrophobicContact CB-CD2 4.07Å; P162-Y164 HydrophobicContact CB-CE1 4.03Å; P162-Y164 HydrophobicContact CB-CE2 3.56Å; P162-Y164 HydrophobicContact CG-CE2 4.41Å; P162-Y164 PolarHBondContact O-N 3.16Å
163P54.6Low59.7Low123 Ų12390 Ų9080%0.79959%0.586SS**SBendtrans-73.421.6-175.528.7-33.6000114.6
164Y55.5Low58.4Low189 Ų18990.6 Ų90.674%0.74159%0.591SS**SBendtrans-137.850.4-174.540-96.5000112P162P162-Y164 HydrophobicContact CB-CD1 4.48Å; P162-Y164 HydrophobicContact CB-CD2 4.07Å; P162-Y164 HydrophobicContact CB-CE1 4.03Å; P162-Y164 HydrophobicContact CB-CE2 3.56Å; P162-Y164 HydrophobicContact CG-CE2 4.41Å; P162-Y164 PolarHBondContact O-N 3.16Å
165A50.4Low57.4Low66 Ų6691.6 Ų91.655%0.54560%0.6SS.*  trans-169.384.1154.200000112.4
166P52.5Low56.5Low102 Ų10288.8 Ų88.866%0.66259%0.592SS**SBendtrans-141.113.1151.636.9-20.9000116.2A170P166-A170 VanDerWaalsContact O-CB 3.28Å; P166-A170 WeakPolarHBondContact O-CB 3.2Å
167A51.7Low55.5Low80 Ų8087 Ų8766%0.66158%0.583SS**SBendtrans-89.1-49.1170.400000111.7A171A167-A171 WeakPolarHBondContact O-CB 3.46Å; A167-A171 PolarHBondContact O-N 2.84Å
168A51.6Low54.9Low82 Ų8287.3 Ų87.368%0.67859%0.585SS**Hα-helixtrans-77-36.1-173.500000114.1A172A168-A172 WeakPolarHBondContact O-CB 3.4Å; A168-A172 PolarHBondContact O-N 3.29Å
169A54.1Low54.9Low66 Ų6688.1 Ų88.155%0.54559%0.586SS.*Hα-helixtrans-77.8-36.9179.400000112.5A172 A173A169-A172 PolarHBondContact O-N 3.31Å; A169-A173 WeakPolarHBondContact O-CB 3.05Å; A169-A173 PolarHBondContact O-N 3.05Å
170A54.7Low54.8Low60 Ų6086.9 Ų86.950%0.49659%0.586SS.*Hα-helixtrans-69.5-38.217100000111.4P166 A173 A174P166-A170 VanDerWaalsContact O-CB 3.28Å; P166-A170 WeakPolarHBondContact O-CB 3.2Å; A170-A173 PolarHBondContact O-N 2.81Å; A170-A174 VanDerWaalsContact O-CB 3.32Å; A170-A174 WeakPolarHBondContact O-CB 3.48Å; A170-A174 PolarHBondContact O-N 3.35Å
171A53.9Low54.4Low54 Ų5487.6 Ų87.645%0.44658%0.583SS.*Hα-helixtrans-68.1-33.5171.300000112.6A167 A174 A175A167-A171 WeakPolarHBondContact O-CB 3.46Å; A167-A171 PolarHBondContact O-N 2.84Å; A171-A174 PolarHBondContact O-N 3.37Å; A171-A175 WeakPolarHBondContact O-CA 3.32Å; A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 2.86Å
172A55.8Low54.6Low58 Ų5884.7 Ų84.748%0.47959%0.587SS.*Hα-helixtrans-70.3-37.6174.600000111.9A168 A169 A176A168-A172 WeakPolarHBondContact O-CB 3.4Å; A168-A172 PolarHBondContact O-N 3.29Å; A169-A172 PolarHBondContact O-N 3.31Å; A172-A176 WeakPolarHBondContact O-CB 3.16Å; A172-A176 PolarHBondContact O-N 3.36Å
173A57.3Low54.2Low67 Ų6790.1 Ų90.155%0.55461%0.609SS**Hα-helixtrans-67.8-39.7172.400000112A169 A170 A177A169-A173 WeakPolarHBondContact O-CB 3.05Å; A169-A173 PolarHBondContact O-N 3.05Å; A170-A173 PolarHBondContact O-N 2.81Å; A173-A177 PolarHBondContact O-N 3.48Å; A173-A177 VanDerWaalsContact O-N 3.16Å
174A56.8Low54Low57 Ų5793.2 Ų93.247%0.47162%0.615SS.*Hα-helixtrans-70.1-38.6174.100000112.6A170 A171 A177 V178A170-A174 VanDerWaalsContact O-CB 3.32Å; A170-A174 WeakPolarHBondContact O-CB 3.48Å; A170-A174 PolarHBondContact O-N 3.35Å; A171-A174 PolarHBondContact O-N 3.37Å; A174-A177 PolarHBondContact O-N 2.71Å; A174-V178 WeakPolarHBondContact O-CG2 2.99Å; A174-V178 PolarHBondContact O-N 2.97Å
175A55Low53.6Low58 Ų5888.8 Ų88.848%0.47962%0.617SS.*Hα-helixtrans-70.5-35176.400000112A171 A177 V178 A179A171-A175 WeakPolarHBondContact O-CA 3.32Å; A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 2.86Å; A175-A177 VanDerWaalsContact C-N 3.32Å; A175-V178 PolarHBondContact O-N 3.41Å; A175-A179 VanDerWaalsContact O-CB 3.28Å; A175-A179 WeakPolarHBondContact O-CB 3.28Å; A175-A179 PolarHBondContact O-N 2.88Å
176A57.3Low53.6Low56 Ų5692.3 Ų92.346%0.46363%0.632SS.*Hα-helixtrans-67.3-3217200000112.3A172 T180A172-A176 WeakPolarHBondContact O-CB 3.16Å; A172-A176 PolarHBondContact O-N 3.36Å; A176-T180 WeakPolarHBondContact O-CG2 3.21Å; A176-T180 PolarHBondContact O-N 2.95Å; A176-T180 PolarHBondContact O-OG1 3.03Å
177A54.9Low53Low58 Ų5890.7 Ų90.748%0.47963%0.634SS.*Hα-helixtrans-73-28.6172.500000113.3A173 A174 A175 T180A173-A177 PolarHBondContact O-N 3.48Å; A173-A177 VanDerWaalsContact O-N 3.16Å; A174-A177 PolarHBondContact O-N 2.71Å; A175-A177 VanDerWaalsContact C-N 3.32Å; A177-T180 PolarHBondContact O-OG1 3.3Å
178V56.4Low53.4Low108 Ų10895.8 Ų95.866%0.65565%0.647SS**Hα-helixtrans-80.4-37.3173.3173.60000111.7A174 A175 T180 N181A174-V178 WeakPolarHBondContact O-CG2 2.99Å; A174-V178 PolarHBondContact O-N 2.97Å; A175-V178 PolarHBondContact O-N 3.41Å; V178-T180 VanDerWaalsContact C-N 3.27Å; V178-T180 PolarHBondContact O-N 3.46Å; V178-N181 PolarHBondContact O-N 2.9Å
179A56.9Low53.8Low78 Ų7897.5 Ų97.565%0.64565%0.651SS**Hα-helixtrans-70.4-19.9179.500000113.8A175A175-A179 VanDerWaalsContact O-CB 3.28Å; A175-A179 WeakPolarHBondContact O-CB 3.28Å; A175-A179 PolarHBondContact O-N 2.88Å
180T58.2Low53.9Low106 Ų106100.6 Ų100.665%0.6567%0.665SS**THydrogen-bonded Turntrans-88.7-3176.343.60000113.6A176 A177 V178A176-T180 WeakPolarHBondContact O-CG2 3.21Å; A176-T180 PolarHBondContact O-N 2.95Å; A176-T180 PolarHBondContact O-OG1 3.03Å; A177-T180 PolarHBondContact O-OG1 3.3Å; V178-T180 VanDerWaalsContact C-N 3.27Å; V178-T180 PolarHBondContact O-N 3.46Å
181N47.5Very low54.3Low125 Ų125106.7 Ų106.767%0.66869%0.686SS**  trans-131.175.5174.9-80.8-43.6000112.1V178 M183V178-N181 PolarHBondContact O-N 2.9Å; N181-M183 PolarHBondContact O-N 2.74Å
182P54Low54Low121 Ų121107.2 Ų107.279%0.78670%0.696SS**THydrogen-bonded Turntrans-82.638.5-177.935.8-36.2000113.7
183M49.7Very low54.3Low178 Ų178113.5 Ų113.588%0.87772%0.718SS**THydrogen-bonded Turntrans-128.18.5-175.9-149-159.9154.100116.7N181N181-M183 PolarHBondContact O-N 2.74Å
184M50.1Low54.1Low189 Ų189116 Ų11693%0.93173%0.729SS**SBendtrans-117.88.4171.9-80-91.6-157.700113.6T186M184-T186 PolarHBondContact O-N 3.48Å
185A46.7Very low53.5Low95 Ų95121.4 Ų121.479%0.78574%0.744SS**  trans-93.961.6179.300000111.8
186T50.1Low53.6Low140 Ų140127.1 Ų127.186%0.85976%0.763SS**  trans-147.693.9168.1-20000108.2M184M184-T186 PolarHBondContact O-N 3.48Å
187G41.5Very low53.4Low69 Ų69129.3 Ų129.371%0.71177%0.773SS**SBendtrans167.193178.800000113.7
188M59.4Low53.4Low187 Ų187132.7 Ų132.792%0.92179%0.787SS**  trans95.4119.8151.7-42.6-1519300117.5
189P60.4Low53.5Low117 Ų117135 Ų13576%0.7679%0.793SS**PPolyproline II helixtrans-82.5158.4173.335-33.1000111.8
190P56.1Low52.9Low131 Ų131138.7 Ų138.785%0.85180%0.797SS**PPolyproline II helixtrans-85.4116.9-177.233.1-29.7000111
191M62.9Low52.6Low189 Ų189141 Ų14193%0.93180%0.802SS**PPolyproline II helixtrans-92.7118.5163.8-87.2-82.2-84.300108.4
192G47.4Very low52.6Low65 Ų65140 Ų14067%0.6780%0.802SS**PPolyproline II helixtrans-76.9168.2-17500000114.2
193M62.5Low52.2Low190 Ų190137.4 Ų137.494%0.93680%0.797SS**  trans-153.9147.4146-78.9-133.2153.900110.1
194P52.3Low52.3Low119 Ų119137.1 Ų137.177%0.77379%0.794SS**  trans-91.3161.3-164.936.5-34.5000114.6
195Q44.9Very low51.9Low171 Ų171134 Ų13480%0.79979%0.79SS**  trans-50.8139.8177.9-174.5-170.497.600115.6
196M57.3Low51.7Low178 Ų178133.3 Ų133.388%0.87779%0.793SS**  trans-142.8128.2152.7-38.9-79.2-92.200107.9
197P53.3Low51.6Low102 Ų102136 Ų13666%0.66280%0.795SS**  trans-101.7160.3-178.536.8-29.6000112.5
198T53.6Low51.8Low128 Ų128137.2 Ų137.279%0.78580%0.799SS**  trans120.5139.1142.4-1480000118.7
199M58.1Low51Low158 Ų158132.1 Ų132.178%0.77879%0.794SS**  trans86.7102.4154.9-70.2-141.6177.200122.7
200Q44.2Very low50.5Low154 Ų154135.2 Ų135.272%0.7280%0.798SS**  80.3100.2104.1-15069.215.500119.7
201M53.5Low50.4Low154 Ų154134.2 Ų134.276%0.75979%0.792SS**  81.4156.9128.2-66.7-57.1-91.300122.3
202P46.9Very low49.7Very low105 Ų105130.3 Ų130.368%0.68278%0.783SS**  trans-107.6156.3-138.640.3-33.5000114.6
203G45.3Very low49.8Very low66 Ų66132.8 Ų132.868%0.6879%0.787SS**  trans-15097.7179.200000113.8
204H52Low48.8Very low172 Ų172134.8 Ų134.880%0.79679%0.786SS**  trans29.6119.5139.4-40.888.9000121
205S41.8Very low48.3Very low123 Ų123132.3 Ų132.386%0.8678%0.783SS**  trans56115.2134.955.70000120.2
206G43.2Very low48.2Very low82 Ų82132.8 Ų132.885%0.84579%0.785SS**  trans-175.2103.1163.600000112.5
207H46Very low47.5Very low196 Ų196135.1 Ų135.191%0.90779%0.785SS**  trans-69.5134.3-179.6-171.175.2000112.3
208A47.2Very low47.1Very low94 Ų94142 Ų14278%0.77780%0.798SS**  trans162.9119.3135.500000114.4
209G41.6Very low46.4Very low81 Ų81146.8 Ų146.884%0.83580%0.803SS**  trans65.398.8132.700000120.5
210H51.3Low46.3Very low181 Ų181143.7 Ų143.784%0.83879%0.793SS**  trans-108.7125.9161.8-158.2-73.5000110.2
211P53Low46.9Very low111 Ų111142.6 Ų142.672%0.72180%0.8SS**  trans-87.2145.6169.732.4-28.3000111.2
212S47.9Very low46.7Very low107 Ų107145.1 Ų145.175%0.74880%0.802SS**  trans-97.4135179.3-170.10000110.7
213P50.4Low47Very low116 Ų116147.2 Ų147.275%0.75380%0.803SS**  trans-99.7103.8177.534.8-25.4000110.8
214Y41.8Very low47.7Very low232 Ų232151.6 Ų151.691%0.9181%0.809SS**  trans-133.7104.7162.1-112.1-88.2000107.9
215G41.1Very low48Very low68 Ų68148.1 Ų148.170%0.70180%0.801SS**  trans171.462.2-179.500000115
216Q42.6Very low49Very low181 Ų181147 Ų14785%0.84680%0.8SS**  trans-174.4118.9153.6-110.7161.8-12.600108.2
217Y43.6Very low50.1Low227 Ų227154.2 Ų154.289%0.8980%0.802SS**  178.7112.9128.2-95.1-70.6000108.6
218R43.5Very low51Low246 Ų246150.4 Ų150.493%0.92879%0.794SS**PPolyproline II helixtrans-65.5136.2172.9-78.1-170.8167.5-118.14.4110.1
219Y39.1Very low52.2Low228 Ų228150.2 Ų150.289%0.89479%0.793SS**PPolyproline II helixtrans-91.1124.3169.9-114.1-96000110.7
220T56.9Low53.6Low93 Ų93151.7 Ų151.757%0.57179%0.787SS**PPolyproline II helixtrans-87.5141.6163.344.70000109.5
221P56.4Low54.6Low132 Ų132148.7 Ų148.786%0.85778%0.784SS**PPolyproline II helixtrans-82.6125.4-179.4-2.921.4000111
222Y48.6Very low55.3Low206 Ų206151.3 Ų151.381%0.80879%0.786SS**PPolyproline II helixtrans-88.6139.5173.6-78.2-86.2000112.1
223H54.4Low56.3Low150 Ų150152.3 Ų152.369%0.69479%0.79SS**PPolyproline II helixtrans-68.6148.8178.1105.7-47.4000112.1P225H223-P225 WeakPolarHBondContact O-CD 3.5Å
224I60.2Low56.9Low158 Ų158151.5 Ų151.581%0.8179%0.794SS**PPolyproline II helixtrans-86.3116.9177.2-59.6166.5000108.7
225P58.2Low57.7Low98 Ų98143.3 Ų143.364%0.63678%0.78SS**PPolyproline II helixtrans-73.7135.2173.3-14.530.5000111.4H223H223-P225 WeakPolarHBondContact O-CD 3.5Å
226A62.9Low58.8Low100 Ų100145.8 Ų145.883%0.82678%0.783SS**PPolyproline II helixtrans-67.1140.6177.300000112.2
227R65.1Low59.4Low234 Ų234144.8 Ų144.888%0.88378%0.778SS**PPolyproline II helixtrans-69.8135.7179.1-165176-164.3-107.53.4110.8
228P65.6Low60Low116 Ų116142.3 Ų142.375%0.75378%0.777SS**PPolyproline II helixtrans-67.5138.7176-14.728.4000111.6
229A72.6Confident60.8Low90 Ų90138.8 Ų138.874%0.74477%0.771SS**PPolyproline II helixtrans-71.4149.4173.900000111.5
230P71.5Confident61.5Low111 Ų111136.6 Ų136.672%0.72177%0.768SS**PPolyproline II helixtrans-68.5148175.828.7-33.1000111.5
231P70.8Confident61.4Low119 Ų119137.3 Ų137.377%0.77377%0.774SS**PPolyproline II helixtrans-70.5135.4179.528.7-32.3000111.2
232H68.7Low61.3Low166 Ų166139.7 Ų139.777%0.76977%0.774SS**PPolyproline II helixtrans-64.5140.7172.626.5-93.2000111.1A234H232-A234 PolarHBondContact O-N 2.91Å
233P69.2Low61.4Low127 Ų127137.4 Ų137.483%0.82577%0.772SS**PPolyproline II helixtrans-70.7122.4171.128.4-30.4000109.6
234A63.2Low61.5Low100 Ų100139.3 Ų139.383%0.82678%0.784SS**PPolyproline II helixtrans-64.4131.8170.800000109.9H232H232-A234 PolarHBondContact O-N 2.91Å
235G58.7Low60.7Low60 Ų60135.1 Ų135.162%0.61978%0.779SS**PPolyproline II helixtrans-64.4162.7179.100000113.4H237G235-H237 PolarHBondContact O-N 3.14Å
236P62.4Low60.3Low119 Ų119136 Ų13677%0.77379%0.788SS**PPolyproline II helixtrans-75.6129-177.431.9-31.1000109.9M238P236-M238 PolarHBondContact O-N 3.39Å
237H56.8Low59.6Low160 Ų160137.1 Ų137.174%0.74179%0.79SS**PPolyproline II helixtrans-71.2117.1167.546-80.6000108.5G235 H239G235-H237 PolarHBondContact O-N 3.14Å; H237-H239 PolarHBondContact O-N 3.1Å
238M55.9Low58.8Low176 Ų176130 Ų13087%0.86778%0.78SS**  trans-67.1115.7170.5-72.4-85.4176.300109.2P236P236-M238 PolarHBondContact O-N 3.39Å
239H59.2Low58.2Low171 Ų171131.5 Ų131.579%0.79279%0.788SS**  trans-112.8119.6160.5-92.5-104.3000108.8H237H237-H239 PolarHBondContact O-N 3.1Å
240H53.6Low56.8Low182 Ų182130.5 Ų130.584%0.84379%0.786SS**  trans-66.8144.1177.4-120.864.8000111
241P56.1Low55.8Low108 Ų108131.1 Ų131.170%0.70179%0.794SS**  trans-87.2149.2-174.934.7-32.3000112.3
242H53Low54.5Low183 Ų183131 Ų13185%0.84780%0.795SS**  trans-108.8142.7163.5-163.750.6000110.3
243M51.3Low53.6Low157 Ų157133 Ų13377%0.77380%0.798SS**  trans-80.7157.3-164.3-55.8-89.8176.200112.4
244M56.9Low52.5Low191 Ų191132 Ų13294%0.94179%0.794SS**  trans139.7119.2157.4-79.2-166.5-161.100107.2
245G44Very low51.5Low69 Ų69132.5 Ų132.571%0.71180%0.798SS**  cis126117.720.400000107.7
246S49.5Very low50.8Low117 Ų117133.8 Ų133.882%0.81881%0.811SS**  trans121.7102.3167-53.20000113.3
247S47.9Very low49.8Very low124 Ų124133 Ų13387%0.86781%0.814SS**  69.7134.985.2-56.30000112.7
248A47.3Very low49.2Very low83 Ų83130.5 Ų130.569%0.68682%0.821SS**  cis-172.7178.3-11.200000106
249T53.7Low48.5Very low148 Ų148125.4 Ų125.491%0.90881%0.814SS**  trans83.5126.3172.175.90000115.9
250G43.4Very low47.9Very low69 Ų69125 Ų12571%0.71182%0.816SS**  cis125.7108.22.800000110.3
251S49.9Very low47.6Very low125 Ų125124.1 Ų124.187%0.87482%0.817SS**  trans170.7143.9141.6-810000113.7
252S44.4Very low47Very low115 Ų115122.5 Ų122.580%0.80482%0.82SS**  trans-129.2145.3-166.6-35.60000109.7
253Y49.9Very low46.7Very low210 Ų210119 Ų11982%0.82482%0.823SS**  trans-171.3107.5151.847.4-94.8000110.2
254S45.7Very low46.7Very low106 Ų106119.8 Ų119.874%0.74183%0.83SS**  54.7106.799.671.50000115.2
255A41.4Very low46.4Very low110 Ų110116.1 Ų116.191%0.90982%0.82SS**  70.1119.680.900000115.1
256G43.9Very low46.5Very low87 Ų87118.4 Ų118.490%0.89783%0.825SS**  trans-171.4116.8170.700000111.8
257A42.2Very low46.3Very low102 Ų102117 Ų11784%0.84382%0.821SS**  trans-108.8176.4-17800000111.7
258A44.2Very low46.1Very low108 Ų108117.4 Ų117.489%0.89382%0.818SS**  trans81.7129.8177.500000114.4
259G40.3Very low45.9Very low68 Ų68118.3 Ų118.370%0.70182%0.818SS**  cis118.611321.900000107.4
260L47.2Very low45.4Very low162 Ų162121.3 Ų121.385%0.84881%0.814SS**  trans-174.4112.2161-104156.7000112.3
261L47.1Very low45.5Very low164 Ų164124.6 Ų124.686%0.85982%0.821SS**  trans22.6134.1137.1-55174.7000121
262G43.2Very low45.1Very low75 Ų75121.8 Ų121.877%0.77381%0.811SS**  125.1122.1114.900000118.9
263A46.5Very low45.2Very low110 Ų110125.4 Ų125.491%0.90982%0.82SS**  trans93.8138143.200000120.8
264L51.4Low44.9Very low173 Ų173118.9 Ų118.991%0.90682%0.817SS**  trans-94.8172.8-161.9-80159.8000113.8
265P52.4Low44.9Very low114 Ų114121.2 Ų121.274%0.7483%0.827SS**  trans-103.9164.6-169.539.6-31.5000115
266S44.5Very low45.3Very low117 Ų117119.7 Ų119.782%0.81882%0.822SS**  trans-155.7117163.7-106.30000107.6
267A45.6Very low45.5Very low88 Ų88122.2 Ų122.273%0.72782%0.819SS**  84.2148.286.600000113.3
268T44.4Very low45.7Very low131 Ų131122.8 Ų122.880%0.80481%0.814SS**  trans110.288.7166.7-43.70000113.6
269C42.5Very low45.7Very low102 Ų102126.7 Ų126.769%0.68981%0.811SS**  82.511790.2980000112.5
270Y43Very low45.8Very low212 Ų212129.4 Ų129.483%0.83181%0.814SS**  102.9140.277.7-118.8-84.8000112
271T45Very low45.7Very low138 Ų138130.9 Ų130.985%0.84782%0.817SS**  trans71.3140.1167.871.80000116.3
272G42.5Very low45.9Very low65 Ų65129.4 Ų129.467%0.6782%0.815SS**  cis156.3134.93.700000109
273L46.4Very low46.7Very low191 Ų191131.5 Ų131.5100%182%0.815SS**  trans71.2135.6155.6-55.4171.8000120.1
274G43Very low47.1Very low73 Ų73131.9 Ų131.975%0.75381%0.808SS**  trans136.372146.300000118.5
275V45.6Very low46.8Very low156 Ų156131.6 Ų131.695%0.94581%0.807SS**  trans25.3120.5141.4-168.90000119.8
276G49.7Very low46.8Very low78 Ų78133.6 Ų133.680%0.80481%0.811SS**  trans-177.594.116100000113.7
277V48.2Very low46.9Very low139 Ų139135.1 Ų135.184%0.84281%0.809SS**  trans-98.8159.5164.8169.90000106.6
278P47.6Very low46.7Very low114 Ų114139.4 Ų139.474%0.7481%0.814SS**  cis-130.8-179.2419.86.2000113.9
279K44.5Very low46.5Very low191 Ų191138.1 Ų138.183%0.8381%0.81SS**  160.2112119-163.7155-173.9163.30112.8
280T42Very low46.4Very low124 Ų124138.2 Ų138.276%0.76181%0.812SS**  trans12.9123.3148.6530000120.1
281Q44.9Very low46.7Very low193 Ų193133.3 Ų133.390%0.90281%0.809SS**  trans-143.7104.7149.6-166.4171.129.100110.4
282T50.6Low46.3Very low133 Ų133131.5 Ų131.582%0.81680%0.802SS**PPolyproline II helixtrans-103131.4161.845.60000107.9
283P60.9Low46.8Very low119 Ų119134.5 Ų134.577%0.77381%0.81SS**PPolyproline II helixtrans-90.2160164.833.3-29.3000112.1
284P54.5Low46.4Very low119 Ų119133.6 Ų133.677%0.77380%0.8SS**PPolyproline II helixtrans-94.8163.8-151.936.6-34.5000115.3
285L45.5Very low46.5Very low167 Ų167135.5 Ų135.587%0.87480%0.802SS**PPolyproline II helixtrans-56.1129.2163-83.4148.4000111.3
286D52.7Low46.2Very low156 Ų156134 Ų13483%0.83480%0.798SS**  trans-117.8125.8155.5-122.1-52.1000109
287L46.6Very low45.8Very low148 Ų148136.8 Ų136.878%0.77580%0.8SS**  trans-74.9144.6171-70.9110.7000108.5
288Q41.6Very low45.8Very low179 Ų179138 Ų13884%0.83680%0.801SS**  150.3127.2129-81.5169.2-8.500112.3
289S40Very low45.5Very low103 Ų103137.7 Ų137.772%0.7280%0.801SS**  trans75.6102.9137.9-560000120.1
290S40.6Very low45.8Very low105 Ų105136.3 Ų136.373%0.73480%0.802SS**  71.7131.3122.567.60000121.4
291S47.4Very low45.9Very low109 Ų109135.6 Ų135.676%0.76280%0.802SS**  trans87.2106.4143.769.50000119.4
292S38.5Very low46.1Very low100 Ų100132.6 Ų132.670%0.69980%0.8SS**  trans16.4145.7145.5-54.70000121.2
293P51.7Low45.9Very low128 Ų128133.2 Ų133.283%0.83180%0.803SS**  trans-116.6124132.632.1-21.6000111.4
294H38.1Very low44.9Very low171 Ų171130.7 Ų130.779%0.79280%0.799SS**  trans-57.7131.3162.7-71.7-112.9000110
295S45Very low44.4Very low113 Ų113130.8 Ų130.879%0.7980%0.802SS**  trans-153.5115151.2-850000109.7T297S295-T297 PolarHBondContact O-N 3.4Å
296S39.5Very low44.1Very low125 Ų125129.9 Ų129.987%0.87480%0.798SS**  trans-58.6114.9-176.4-51.90000112.1
297T41.9Very low43.8Very low136 Ų136130.6 Ų130.683%0.83480%0.796SS**  trans-90.6105.8166-57.20000108.4S295 S299S295-T297 PolarHBondContact O-N 3.4Å; T297-S299 PolarHBondContact O-N 2.8Å
298L47.2Very low43.3Very low165 Ų165128 Ų12886%0.86480%0.795SS**  trans-68.6107.2166.3-73.7167000108.4L300L298-L300 PolarHBondContact O-N 2.94Å
299S42.1Very low43.6Very low107 Ų107129 Ų12975%0.74880%0.797SS**  trans-78.4109.9174.1-1700000109.5T297T297-S299 PolarHBondContact O-N 2.8Å
300L51.1Low43.6Very low162 Ų162130.7 Ų130.785%0.84880%0.803SS**  trans-113.6107.5161.9-74.5171.3000107.3L298L298-L300 PolarHBondContact O-N 2.94Å
301S43Very low43.6Very low110 Ų110134.5 Ų134.577%0.76981%0.806SS**  trans-66.8137.1167.9260000110.7
302P49.9Very low43.3Very low130 Ų130136.1 Ų136.184%0.84481%0.807SS**  trans-113.4113.5157.327-11.3000109.9
303V45.4Very low43.6Very low146 Ų146141.8 Ų141.889%0.88581%0.813SS**  trans-92.4130.9169.161.40000109.9
304G39.6Very low43.3Very low66 Ų66140.9 Ų140.968%0.6881%0.809SS**  trans71.2155.8161.200000116.4
305S45.7Very low44.1Very low120 Ų120138.3 Ų138.384%0.83981%0.808SS**  cis-174.7150.3-6.4-92.90000105.6
306D38Very low44.1Very low148 Ų148138.7 Ų138.779%0.79181%0.805SS**  trans-45.3135.6158.2-67.7-87000112.9
307H46.2Very low44.2Very low172 Ų172137.7 Ų137.780%0.79680%0.804SS**  170.9133.1106.3-112.5-95.9000110K309H307-K309 PolarHBondContact O-N 3.12Å
308A37.7Very low44.5Very low92 Ų92139.7 Ų139.776%0.7680%0.804SS**  trans-52.8125.9165.300000110.7
309K47.2Very low44.7Very low202 Ų202137.4 Ų137.488%0.87880%0.802SS**  trans-113.8111.6160.9-81.9-165.4176.3-172.80110.3H307H307-K309 PolarHBondContact O-N 3.12Å
310V40.5Very low44.9Very low138 Ų138136.6 Ų136.684%0.83680%0.802SS**  trans-57132161.8-165.20000108.1
311F39.1Very low44.7Very low185 Ų185134.4 Ų134.481%0.81180%0.797SS**  trans-81.7117.4171.8-116.5-100.1000107.8
312D40.8Very low45Very low143 Ų143134.1 Ų134.177%0.76580%0.795SS**  trans-134.7137.5150.4-161.8-77.8000108.4
313R46.3Very low45.3Very low219 Ų219134.4 Ų134.483%0.82679%0.794SS**  trans-130.592.7-160.7-163.1-174.6-172.6-157.11.2106.4
314S44.9Very low45.6Very low109 Ų109133.2 Ų133.276%0.76279%0.79SS**  trans-96.5132.9170.3-77.10000111
315P54.2Low45.9Very low116 Ų116134.3 Ų134.375%0.75379%0.792SS**  trans-102.3123.116833.4-23.4000112.5
316V45.1Very low46.3Very low122 Ų122134.7 Ų134.774%0.73979%0.792SS**  trans40.1112.2135.6-178.80000118.9Q318V316-Q318 HydrophobicContact CG1-CG 4.07Å
317A41.3Very low47.2Very low104 Ų104132.1 Ų132.186%0.8679%0.791SS**  trans-94.3126.6156.200000110
318Q49.4Very low47.3Very low178 Ų178129.9 Ų129.983%0.83279%0.792SS**  trans-110.6146.6164.5-77.7-176.510.700110V316V316-Q318 HydrophobicContact CG1-CG 4.07Å
319S51.1Low48.2Very low116 Ų116133.1 Ų133.181%0.81180%0.796SS**  trans-58.4140.5-170.545.20000116.6
320A45.6Very low48.1Very low90 Ų90129.4 Ų129.474%0.74479%0.79SS**  trans-71.3167.2162.400000111.9
321P48.8Very low48.4Very low117 Ų117128.6 Ų128.676%0.7679%0.785SS**  -149.5150.288.839.7-21.8000117.3
322S48.7Very low48.8Very low103 Ų103125.4 Ų125.472%0.7278%0.781SS**  trans44127.614255.90000121.3
323V56.6Low49.3Very low137 Ų137124.1 Ų124.183%0.8378%0.784SS**  175.8156.391.8158.40000108.4
324P50.7Low49.6Very low121 Ų121119 Ų11979%0.78678%0.778SS**  trans-107.6-179.8-139.342-35.2000118.1
325A45.9Very low50.1Low89 Ų89121.3 Ų121.374%0.73678%0.782SS**  trans-59.8172.1-171.700000118.1
326P54.7Low50.1Low127 Ų127121.1 Ų121.183%0.82578%0.78SS**  -148.7151.2103.635.7-17.6000118.6
327A57.1Low50.4Low95 Ų95119.7 Ų119.779%0.78578%0.781SS**  trans57.5132.6143.100000124
328P48.5Very low51.1Low125 Ų125121 Ų12181%0.81278%0.781SS**  trans-107.2152168.838.3-27.7000113.5
329L55.3Low51.4Low160 Ų160116.6 Ų116.684%0.83878%0.783SS**  trans-128.6115171.7-69.7176.9000111.7
330T46.1Very low51.4Low123 Ų123118.6 Ų118.676%0.75578%0.784SS**  trans42.3127.3131.655.50000122.4
331T45.8Very low52.1Low121 Ų121123 Ų12374%0.74279%0.794SS**  156.896.4126.9-76.40000109.9
332T48.7Very low52.8Low119 Ų119125.4 Ų125.473%0.7380%0.797SS**  57107.199.844.40000116.8
333S51.6Low53.2Low116 Ų116126 Ų12681%0.81180%0.799SS**  154.2145.4107.1-78.30000113.6
334P51.9Low53Low110 Ų110125.9 Ų125.971%0.71480%0.804SS**  trans-124168-167.542.9-28000116.8
335L54.9Low53.1Low159 Ų159124.5 Ų124.583%0.83280%0.802SS**  trans73.3170.1151.6-69.7163.5000119.8
336P54Low53.7Low111 Ų111130 Ų13072%0.72181%0.81SS**  -143.9-172.4-62.342.4-23.5000114.9
337A52.9Low53.6Low93 Ų93135.6 Ų135.677%0.76981%0.814SS**  trans114.3129.114600000119.4
338P54.9Low53.7Low132 Ų132136.6 Ų136.686%0.85781%0.813SS**PPolyproline II helixtrans-100.3150.6179.736.8-32.5000115.2
339G56.5Low54Low84 Ų84134.7 Ų134.787%0.86681%0.808SS**PPolyproline II helixtrans-85.6137.4-176.100000116.2
340L50.7Low54.1Low158 Ų158132.4 Ų132.483%0.82781%0.805SS**PPolyproline II helixtrans-66.2147168.7-77.4152.6000113.5
341L60.4Low54.4Low182 Ų182133 Ų13395%0.95380%0.804SS**  trans-169.2136.4131.2-104.1145.4000112.4
342M62.9Low55.1Low169 Ų169135 Ų13583%0.83381%0.806SS**  trans-90.2171.7-164.7-62.8-157.789.700114.4
343P56.7Low55.5Low116 Ų116134.1 Ų134.175%0.75381%0.806SS**  trans-101.9162.7-173.437.7-28.6000114.3
344S53.8Low55.8Low133 Ų133134.2 Ų134.293%0.9380%0.803SS**  trans-151.9145.1163.1-97.30000115.3
345A52Low56.4Low92 Ų92134.3 Ų134.376%0.7680%0.804SS**  trans-63.3154.7-169.400000117.8
346K57.4Low56.5Low206 Ų206132.4 Ų132.490%0.89680%0.801SS**  179.8106112-119.5158.1174171.70114.3
347R52.7Low56.8Low243 Ų243133.7 Ų133.792%0.91781%0.807SS**  36.7160126.8-80.3-165-163.7-112.61.7124.3
348P60.1Low56.7Low116 Ų116135.1 Ų135.175%0.75381%0.807SS**  trans-122.6-178.9-134.445.5-34.1000115.4
349A55.2Low57.1Low85 Ų85134.7 Ų134.770%0.70280%0.801SS**  trans166.314113400000113.5
350S56.1Low56.9Low113 Ų113136.9 Ų136.979%0.7980%0.798SS**  trans61.2136.3154.951.10000117.5
351D54.1Low57.4Low136 Ų136136.8 Ų136.873%0.72780%0.797SS**  cis-171.9151.842.2-161.525.3000111.2
352M60.6Low57.5Low161 Ų161132.3 Ų132.379%0.79379%0.786SS**  trans45.8124.9158.7-69-56.5101.400124.7
353S55.7Low57.2Low102 Ų102132.9 Ų132.971%0.71379%0.786SS**  trans-99.2169.8151-157.80000107.8
354P58.3Low57.9Low117 Ų117133.1 Ų133.176%0.7679%0.788SS**  cis-141.8-17715.738.8-15.7000116.2
355P63.7Low58.5Low113 Ų113135.7 Ų135.773%0.73478%0.782SS**  trans-106.8-165.7-17943.6-33.5000111.9
356P57.3Low59.2Low119 Ų119136.9 Ų136.977%0.77378%0.782SS**  cis-133.7171.3-3.338.7-19.7000115.7
357T60.2Low59.8Low137 Ų137137.2 Ų137.284%0.8478%0.784SS**  trans-123.5125.8167.7-49.30000111.2
358T52.4Low60.5Low124 Ų124133.1 Ų133.176%0.76178%0.779SS**  trans-40.6128.1169.1-69.90000113.2V360T358-V360 HydrophobicContact CG2-CG2 4.37Å
359T61.4Low60Low122 Ų122135.7 Ų135.775%0.74878%0.779SS**  trans-130119.4158.4-60.30000109.1I361T359-I361 HydrophobicContact CG2-CG1 4.44Å
360V54Low60.4Low131 Ų131140.8 Ų140.879%0.79479%0.785SS**  trans-70.7122.9173.9176.50000108.2T358T358-V360 HydrophobicContact CG2-CG2 4.37Å
361I60.6Low61.3Low156 Ų156140.3 Ų140.380%0.878%0.78SS**  trans-121.2128.1168.9-65.2178.5000108.6T359T359-I361 HydrophobicContact CG2-CG1 4.44Å
362A61.8Low61.5Low87 Ų87144.3 Ų144.372%0.71979%0.786SS**  trans-64.7145.1-169.500000114.6
363E57.2Low61.5Low181 Ų181146 Ų14685%0.84679%0.789SS**  trans-78.6137.2172.3-160.2-165.5-164.500111.2
364P72.5Confident61.9Low121 Ų121147.5 Ų147.579%0.78679%0.794SS**  trans-106.9104.5161.832.3-23.5000112.2
365K66.3Low61.7Low187 Ų187150.5 Ų150.581%0.81380%0.798SS**  trans33.5119.9142.1-132.9166.3-171165.20118.9
366P66Low61.6Low118 Ų118153.6 Ų153.677%0.76683%0.833SS**PPolyproline II helixtrans-72.9135.7172.630.1-32.4000111.6L368P366-L368 PolarHBondContact O-N 3.09Å
367K69.5Low61.8Low212 Ų212155.3 Ų155.392%0.92284%0.836SS**PPolyproline II helixtrans-75.6117.5173.9-70.7-178.5-179.9175.60110.3
368L67.6Low61.9Low157 Ų157156.3 Ų156.382%0.82284%0.835SS**PPolyproline II helixtrans-75.3132.1176.8-171.968.1000111.2P366P366-L368 PolarHBondContact O-N 3.09Å
369F49Very low62.4Low171 Ų171158.1 Ų158.175%0.7584%0.839SS**  trans38.3127.2153.7-91-112.4000121.1
370K65.2Low62.4Low191 Ų191160.2 Ų160.283%0.8385%0.845SS**  -149.5120.8118.4-65.3-168.5-178.9171.20110.1
371P73.2Confident63Low104 Ų104162 Ų16268%0.67585%0.848SS**PPolyproline II helixtrans-74.5133.7163.330.2-30.2000108.8K373P371-K373 PolarHBondContact O-N 2.88Å
372Y58.2Low63.1Low219 Ų219162.4 Ų162.486%0.85985%0.851SS**PPolyproline II helixtrans-70.3118.8172.3-64.3-90000108.9
373K61.9Low63.2Low198 Ų198167.8 Ų167.886%0.86186%0.861SS**PPolyproline II helixtrans-68.8123.5151.8-87.5179166.2-175.30106.9P371P371-K373 PolarHBondContact O-N 2.88Å
374T63.1Low63.7Low132 Ų132166.8 Ų166.881%0.8186%0.862SS**  trans-123.6116157.2-52.30000106.3
375E55.8Low63Low181 Ų181170.6 Ų170.685%0.84687%0.868SS**  trans-71.9135173.8-58.2-165.2138.500110.1
376A59.9Low62.7Low177 Ų177169.1 Ų169.1100%1.46387%0.873SS**  trans-166.60146.100000108.2

Retrieved 376 of 376 residues in 43.8 ms (Link to these results)