A0A061HUP2_CRIGR Loading...

Zinc finger protein 524

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A061HUP2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Znf524, Length 324 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
1M45.2Very low50.9Low235 Ų235136.9 Ų136.9100%1.15883%0.827SS**  085.70-80.7-158.317500104.2
2D40.3Very low50Low158 Ų158135 Ų13585%0.84582%0.824SS**  trans-112.9131-161.9-69.2-94.3000108
3N44.4Very low49Very low156 Ų156134.4 Ų134.483%0.83483%0.829SS**PPolyproline II helixtrans-71.8130.1-168.9-168.517.9000110.9
4P56.8Low48.3Very low110 Ų110133.6 Ų133.671%0.71482%0.824SS**PPolyproline II helixtrans-83.4129.2174.730.4-30.1000112
5S55.5Low47.7Very low112 Ų112135.7 Ų135.778%0.78383%0.827SS**PPolyproline II helixtrans-63.3156154.8-74.90000110.8
6P58.5Low47.1Very low118 Ų118134.4 Ų134.477%0.76683%0.826SS**  -143.5119.6123.630.7-14.1000114.5
7D48.8Very low46.5Very low156 Ų156130.8 Ų130.883%0.83482%0.821SS**  48.7162111.5-88.3-27000123.4
8P51.9Low46.5Very low115 Ų115132.9 Ų132.975%0.74782%0.819SS**  -106.2176.2-125.241.3-39.7000116.8
9A49.9Very low46.3Very low94 Ų94136.3 Ų136.378%0.77783%0.825SS**PPolyproline II helixtrans-62158.1-179.300000116.2
10P55.5Low46.3Very low122 Ų122139.8 Ų139.879%0.79283%0.831SS**PPolyproline II helixtrans-96.5166.3168.836.8-32.7000114.3
11P53.2Low46.5Very low130 Ų130142.3 Ų142.384%0.84483%0.832SS**PPolyproline II helixtrans-96.9168.6-153.237.7-36.2000116.8
12S40.5Very low46.5Very low114 Ų114136.9 Ų136.980%0.79781%0.814SS**PPolyproline II helixtrans-71.8150.9-179.1-42.70000114.8
13S36.9Very low46.8Very low127 Ų127140.9 Ų140.989%0.88882%0.817SS**  trans-149.8134.6151.8-68.40000110.4
14T39.2Very low46.8Very low124 Ų124138.1 Ų138.176%0.76182%0.816SS**  trans-77.9155.5-171.947.50000113.9
15L38.8Very low46.3Very low164 Ų164144.5 Ų144.586%0.85983%0.826SS**  179.3135.1119.3-91.8160.5000113.3
16S39.1Very low46.1Very low116 Ų116147 Ų14781%0.81183%0.83SS**  trans-18.6151.4171.2-47.60000122.3
17G36.7Very low45.9Very low72 Ų72146.8 Ų146.874%0.74283%0.828SS**  trans16695.5158.700000112.7
18E46.6Very low46Very low170 Ų170145.2 Ų145.279%0.79483%0.826SS**  trans-49.8146.1171.853.5-11864.300116.4
19E42.5Very low46Very low197 Ų197146.3 Ų146.392%0.92183%0.831SS**  trans178.9110.2130.1-96.9-169.2106.600110.5
20E46.1Very low45.9Very low205 Ų205147.6 Ų147.696%0.95883%0.831SS**  trans-72.7126170.9-94.5-166.785.400111
21K49.7Very low45.8Very low193 Ų193153.9 Ų153.984%0.83984%0.839SS**  trans-115.5130.3168.5-164.9169.7-175.7172.50109.9
22P46.6Very low45Very low121 Ų121151.1 Ų151.179%0.78683%0.834SS**PPolyproline II helixtrans-71.9137.8-164.426.5-34.1000113.3A24P22-A24 PolarHBondContact O-N 3.37Å
23R46.3Very low45Very low243 Ų243157.1 Ų157.192%0.91784%0.839SS**PPolyproline II helixtrans-67.5120.4172.4-73.2178.9164.3-163.4-3.7110.6R25R23-R25 PolarHBondContact O-N 3.4Å
24A43.1Very low45.2Very low98 Ų98163.1 Ų163.181%0.8184%0.843SS**PPolyproline II helixtrans-62.8119.4167.500000110.2P22 L26P22-A24 PolarHBondContact O-N 3.37Å; A24-L26 PolarHBondContact O-N 3.03Å
25R47.6Very low44.9Very low244 Ų244160.2 Ų160.292%0.92184%0.837SS**PPolyproline II helixtrans-64.1121.1168.5-82176.2167.5-961.9109.1R23R23-R25 PolarHBondContact O-N 3.4Å
26L50.3Low45.3Very low165 Ų165163 Ų16386%0.86484%0.836SS**PPolyproline II helixtrans-69138.2163.3-69.8165.6000109.2A24A24-L26 PolarHBondContact O-N 3.03Å
27P54.8Low45.6Very low112 Ų112162.7 Ų162.773%0.72783%0.831SS**PPolyproline II helixtrans-70.6152.1176.929.1-33.9000111.7
28P51.2Low45.7Very low123 Ų123164.3 Ų164.380%0.79983%0.829SS**PPolyproline II helixtrans-68.8132.3-17928-33.7000111.9
29V52Low45.5Very low138 Ų138159.9 Ų159.984%0.83683%0.829SS**PPolyproline II helixtrans-67.2126.3171.5-1250000109.7R31V29-R31 PolarHBondContact O-N 2.99Å
30P46.8Very low44.9Very low121 Ų121153.9 Ų153.979%0.78682%0.819SS**PPolyproline II helixtrans-69.7129.4175.825.9-31.5000111.1G32P30-G32 PolarHBondContact O-N 3.22Å
31R54.1Low44.2Very low255 Ų255148.3 Ų148.396%0.96281%0.808SS**  trans-67.991.1168.8-77.5179.4160.8-178.4-4.9109.7V29V29-R31 PolarHBondContact O-N 2.99Å
32G35.3Very low43.3Very low72 Ų72145.9 Ų145.974%0.74281%0.81SS**  trans-76.4117.8169.800000111.3P30P30-G32 PolarHBondContact O-N 3.22Å
33R41Very low42.7Very low239 Ų239145 Ų14590%0.90280%0.803SS**  trans-48.2135.3173.1-68170.7171.3-106.1-0110.7G35R33-G35 PolarHBondContact O-N 2.98Å
34R40.4Very low42.3Very low254 Ų254139 Ų13996%0.95880%0.797SS**  trans-67.883.3166.5-66.8-177.1-163.4-1021.6108.5R36R34-R36 PolarHBondContact O-N 3.32Å
35G33.7Very low41.7Very low62 Ų62140.8 Ų140.864%0.63979%0.793SS**PPolyproline II helixtrans-68.7120.4160.600000108.8R33 P37R33-G35 PolarHBondContact O-N 2.98Å; G35-P37 WeakPolarHBondContact O-CD 3.24Å
36R47.4Very low41Very low224 Ų224139.9 Ų139.985%0.84579%0.79SS**PPolyproline II helixtrans-48.1132.6160.8176.9176.7-177.2-103.75.1110R34R34-R36 PolarHBondContact O-N 3.32Å
37P44.4Very low40.2Very low109 Ų109137.1 Ų137.171%0.70878%0.78SS**PPolyproline II helixtrans-101.7159.5153.615.14.3000110.9G35G35-P37 WeakPolarHBondContact O-CD 3.24Å
38P39.7Very low39.5Very low106 Ų106138.9 Ų138.969%0.68878%0.783SS**PPolyproline II helixtrans-93.1166.1-147.535.9-34.2000113.3G40P38-G40 PolarHBondContact O-N 3.4Å
39G43.3Very low38.7Very low77 Ų77142 Ų14279%0.79478%0.783SS**PPolyproline II helixtrans-54121.2160.700000109.8
40G28.3Very low37.8Very low70 Ų70140.9 Ų140.972%0.72278%0.782SS**  trans-107.6108.9168.600000107.9P38 T42P38-G40 PolarHBondContact O-N 3.4Å; G40-T42 PolarHBondContact O-N 3.36Å
41A31.4Very low37.1Very low88 Ų88140.8 Ų140.873%0.72778%0.784SS**  trans-46.3128.6169.400000110.7T43A41-T43 PolarHBondContact O-N 2.76Å
42T32.2Very low36.2Very low143 Ų143136.4 Ų136.488%0.87778%0.779SS**  trans-74.386.7157.353.10000106.7G40 S44G40-T42 PolarHBondContact O-N 3.36Å; T42-S44 PolarHBondContact O-N 3.15Å; T42-S44 VanDerWaalsContact O-N 3.16Å
43T32.5Very low36.2Very low103 Ų103138.6 Ų138.663%0.63278%0.78SS**  trans-48.6116.5164.847.80000109A41 N45A41-T43 PolarHBondContact O-N 2.76Å; T43-N45 PolarHBondContact O-N 3.18Å; T43-N45 VanDerWaalsContact O-N 3.15Å
44S38.8Very low35.9Very low115 Ų115137.6 Ų137.680%0.80478%0.777SS**  trans-38.4115.5144.3-64.30000108.9T42T42-S44 PolarHBondContact O-N 3.15Å; T42-S44 VanDerWaalsContact O-N 3.16Å
45N31.1Very low35.6Very low136 Ų136135.3 Ų135.373%0.72777%0.774SS**  trans-123.386.7159.4-96-31000109T43T43-N45 PolarHBondContact O-N 3.18Å; T43-N45 VanDerWaalsContact O-N 3.15Å
46R33.2Very low35.9Very low226 Ų226142.9 Ų142.985%0.85378%0.783SS**  trans-63117.5144.5-157.9-179.9-162-173.44.7106.1
47T33.1Very low35.2Very low107 Ų107136 Ų13666%0.65678%0.782SS**  trans-135.4105.3156.5-48.10000107.8K49T47-K49 PolarHBondContact O-N 3.4Å
48L40.1Very low34.7Very low148 Ų148142.3 Ų142.378%0.77579%0.791SS**  trans-54.9125.4158.8-64.2160.7000108.1
49K34.6Very low34.7Very low188 Ų188142.5 Ų142.582%0.81779%0.793SS**  trans-133.795153.4-83.1-176.6177.5176.70108.4T47T47-K49 PolarHBondContact O-N 3.4Å
50S32.1Very low34.5Very low116 Ų116144.8 Ų144.881%0.81179%0.794SS**  trans-40.1123.9146.946.30000111.1
51S32.3Very low34.8Very low119 Ų119153.2 Ų153.283%0.83280%0.804SS**  trans-150.7126.4159.1-85.50000109.5
52L35Very low34.9Very low163 Ų163154.3 Ų154.385%0.85381%0.806SS**  trans-53.7159.7-170.2-66.2153.5000115.9R54L52-R54 PolarHBondContact O-N 3.08Å
53P35.3Very low35.2Very low118 Ų118153.8 Ų153.877%0.76680%0.803SS**  trans-73.1126.1178.829.6-33.5000111.9K55P53-K55 PolarHBondContact O-N 3.49Å
54R34.6Very low35.3Very low218 Ų218158 Ų15882%0.82382%0.815SS**  trans-77.5104.4169.6-83.9178.6152.4-107.31109.9L52 R56L52-R54 PolarHBondContact O-N 3.08Å; R54-R56 PolarHBondContact O-N 3.19Å
55K35.6Very low35Very low206 Ų206161.8 Ų161.890%0.89682%0.82SS**  trans-53.5121161.7-68.1177.8177.9-179.10109.6P53P53-K55 PolarHBondContact O-N 3.49Å
56R38.6Very low35.2Very low221 Ų221159.6 Ų159.683%0.83482%0.821SS**  trans-129.799.5152.8-76.6-172.9-177.6-106.54.2106.8R54R54-R56 PolarHBondContact O-N 3.19Å
57G32.1Very low35.9Very low80 Ų80153.8 Ų153.883%0.82581%0.813SS**  trans-72.3141.5168.900000110.5
58R35.2Very low35.9Very low240 Ų240156.8 Ų156.891%0.90682%0.823SS**  trans-146.5134.6149-153.7164.8-172.6-99.11.2107.4
59P40Very low35.5Very low111 Ų111154.7 Ų154.772%0.72183%0.828SS**  trans-77.5162.6-163.130.7-36.7000113.7
60P38.3Very low35.3Very low125 Ų125150.7 Ų150.781%0.81283%0.83SS**  trans-75.3141.6176.731.6-33.4000111.2
61R35.4Very low35.3Very low246 Ų246150.2 Ų150.293%0.92883%0.833SS**  trans-89.6113.9161.2-101.3-172.9163.8-162.6-5108.2
62S31.9Very low35.1Very low112 Ų112149.1 Ų149.178%0.78383%0.831SS**  trans-58.9128.4164.948.70000111.7
63V39.2Very low34.8Very low132 Ų132146 Ų14680%0.883%0.829SS**  trans-148.997.6149-100.60000108.2
64Q34.9Very low34.6Very low192 Ų192145.4 Ų145.490%0.89783%0.834SS**  trans34.9125.2140.6-60.4179.946.700119.5
65E32.6Very low34.4Very low193 Ų193138.9 Ų138.990%0.90284%0.835SS**  trans-76.1164.8171-60.5-14211200113.7
66A34.3Very low34.1Very low91 Ų91133 Ų13375%0.75283%0.833SS**  trans115.4157.5143.600000116.1
67P48.7Very low33.9Very low104 Ų104126.8 Ų126.868%0.67584%0.837SS**  -139.7173.2-67.540.6-24.5000113.9
68L33.5Very low33.8Very low169 Ų169126.7 Ų126.789%0.88584%0.836SS**  trans53.2123146.9-63.6160.5000121
69A30.4Very low33.9Very low105 Ų105119.5 Ų119.587%0.86884%0.836SS**  -166.5128.3123.900000111.4
70A30.9Very low33.6Very low104 Ų104117.4 Ų117.486%0.8684%0.835SS**  trans-78.5147.6167.600000110.8
71A32.1Very low33.9Very low105 Ų105116.8 Ų116.887%0.86883%0.834SS**  trans-152.6132.5152.600000109.8
72A27.3Very low34.1Very low97 Ų97110.2 Ų110.280%0.80283%0.826SS**  trans-99.1166-176.300000112.2
73A28.8Very low34.6Very low98 Ų98111.7 Ų111.781%0.8182%0.824SS**  trans86.4150.2144.700000121.3
74A33.1Very low34.9Very low104 Ų104113.2 Ų113.286%0.8683%0.827SS**  trans80126173.800000115.2
75G29.4Very low35.5Very low82 Ų82109.6 Ų109.685%0.84581%0.813SS**  cis112.2124.726.800000108.4
76G30.2Very low36.5Very low83 Ų83107 Ų10786%0.85681%0.805SS**  trans120.6112163.400000115.7
77G32.8Very low37.4Very low89 Ų89108.4 Ų108.492%0.91880%0.799SS**  trans-78.7173.8159.900000112.1
78G31.2Very low37.7Very low79 Ų79106.7 Ų106.781%0.81478%0.784SS**  trans154.4106.6170.100000112.3
79G37.7Very low39Very low88 Ų88106 Ų10691%0.90778%0.781SS**  trans-65.8152.9163.500000111.3
80G33.4Very low40.4Very low67 Ų67108.9 Ų108.969%0.69178%0.777SS**  trans170.197.3175.400000109.5S82G80-S82 PolarHBondContact O-N 3.45Å
81S44Very low41.6Very low113 Ų113106.4 Ų106.479%0.7976%0.761SS**  trans-52.5117.6163.249.30000109
82S40.3Very low42.4Very low108 Ų108105.6 Ų105.676%0.75575%0.745SS**  trans-121.395.3163.4-67.10000106.1G80 L84G80-S82 PolarHBondContact O-N 3.45Å; S82-L84 PolarHBondContact O-N 2.95Å; S82-L84 VanDerWaalsContact O-N 3.12Å
83D41.8Very low43.3Very low142 Ų142105.2 Ų105.276%0.75974%0.735SS**  trans-55.4111.3170.3-68-64.6000108.9L85D83-L85 PolarHBondContact O-N 3.3Å
84L45.6Very low44.4Very low164 Ų164107.1 Ų107.186%0.85972%0.722SS**  trans-74.5103.7170.7-79.4170.7000108.2S82 L86S82-L84 PolarHBondContact O-N 2.95Å; S82-L84 VanDerWaalsContact O-N 3.12Å; L84-L86 PolarHBondContact O-N 3.01Å
85L47.5Very low45.3Very low116 Ų116107.5 Ų107.561%0.60771%0.714SS**  trans-70113.1168.8-60.8176.3000108.9D83D83-L85 PolarHBondContact O-N 3.3Å
86L54.4Low46.1Very low140 Ų140109.1 Ų109.173%0.73371%0.707SS**PPolyproline II helixtrans-83.8131.4171.2-71.8163.5000109.1L84L84-L86 PolarHBondContact O-N 3.01Å
87I53Low46.8Very low120 Ų120111 Ų11162%0.61570%0.704SS**BIsolated β-bridgetrans-101.7132.8177.8-53169.9000107.3
88D54.6Low47.5Very low67 Ų67116.3 Ų116.336%0.35871%0.705SS.*PPolyproline II helixtrans-81.3171.6174.150.414000112.2Q90 G91 V92D88-Q90 PolarHBondContact O-N 3.28Å; D88-G91 PolarHBondContact O-N 2.81Å; D88-V92 PolarHBondContact OD1-N 2.9Å
89D61Low47.9Very low156 Ų156116.2 Ų116.283%0.83470%0.704SS**THydrogen-bonded Turntrans-66-3.5-173.662.9-82.9000114.6
90Q58.8Low47.8Very low165 Ų165117.6 Ų117.677%0.77170%0.7SS**THydrogen-bonded Turntrans-109.15.7173.5-59.5-171.724.800113.6D88D88-Q90 PolarHBondContact O-N 3.28Å
91G56.7Low48.4Very low52 Ų52119.6 Ų119.654%0.53671%0.709SS.*  trans79.520.6168.300000115.3D88D88-G91 PolarHBondContact O-N 2.81Å
92V48.5Very low48.3Very low88 Ų88118.5 Ų118.553%0.53371%0.707SS.*  trans-105.7120.1-178-171.70000109.8D88 Y94D88-V92 PolarHBondContact OD1-N 2.9Å; V92-Y94 PolarHBondContact O-N 3.26Å
93P46.1Very low48.5Very low89 Ų89121.7 Ų121.758%0.57872%0.716SS**BIsolated β-bridgetrans-73121.1176.528.5-31.4000109.6
94Y51.7Low48.2Very low138 Ų138117.7 Ų117.754%0.54171%0.708SS.*  trans-119.6142.217081.6-87.2000111.1V92 V96V92-Y94 PolarHBondContact O-N 3.26Å; Y94-V96 HydrophobicContact CE2-CG1 4.34Å
95T53Low48.1Very low112 Ų112116.1 Ų116.169%0.68771%0.708SS**PPolyproline II helixtrans-91.2130.6172.951.30000108.8P97T95-P97 WeakPolarHBondContact O-CD 3.48Å
96V46.7Very low48.1Very low116 Ų116120.5 Ų120.570%0.70373%0.725SS**PPolyproline II helixtrans-74.7120170-124.60000107.4Y94 E98Y94-V96 HydrophobicContact CE2-CG1 4.34Å; V96-E98 PolarHBondContact O-N 3.47Å
97P44.6Very low47.4Very low121 Ų121116.9 Ų116.979%0.78672%0.722SS**PPolyproline II helixtrans-68.2121.2178.723.1-28.2000110.1T95 G99T95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-G99 PolarHBondContact O-N 3.24Å
98E46.8Very low47.3Very low202 Ų202117.1 Ų117.194%0.94473%0.734SS**PPolyproline II helixtrans-64.9125.4166.4-73.8-166.8103.400109.8V96V96-E98 PolarHBondContact O-N 3.47Å
99G40.8Very low46.9Very low77 Ų77116.3 Ų116.379%0.79474%0.741SS**  trans11199.9158.600000115.8P97P97-G99 PolarHBondContact O-N 3.24Å
100S33.8Very low46.5Very low117 Ų117115.1 Ų115.182%0.81874%0.742SS**  trans-132.3109.3132.765.10000109.3A102S100-A102 PolarHBondContact O-N 3.49Å
101A47.7Very low46.4Very low108 Ų108116.3 Ų116.389%0.89374%0.739SS**  trans-60.7112.5162.700000107.8
102A40.1Very low46.7Very low90 Ų90125.2 Ų125.274%0.74476%0.757SS**  trans-115.9104.8164.300000107.6S100 G104S100-A102 PolarHBondContact O-N 3.49Å; A102-G104 PolarHBondContact O-N 3.36Å
103D44.6Very low47.7Very low176 Ų176122 Ų12294%0.94174%0.739SS**  trans-49113.8159.6-95.2-81.6000109.7
104G37.2Very low49.3Very low58 Ų58121.5 Ų121.560%0.59874%0.736SS**  trans-158.6145.3178.600000110.3A102A102-G104 PolarHBondContact O-N 3.36Å
105P43.2Very low50.9Low130 Ų130117.2 Ų117.284%0.84472%0.721SS**  trans-66.4149-152.629.1-34.9000112.1G107P105-G107 PolarHBondContact O-N 3.15Å
106Q46.5Very low52.7Low209 Ų209117.8 Ų117.898%0.97771%0.714SS**  trans-59.776.1172.6-63.1-17254.300111.2
107G39.5Very low54.7Low64 Ų64112.3 Ų112.366%0.6668%0.681SS**  trans-78120.216800000108P105 G109P105-G107 PolarHBondContact O-N 3.15Å; G107-G109 PolarHBondContact O-N 3.27Å
108S52.5Low56.7Low125 Ų125112 Ų11287%0.87468%0.679SS**  trans-57.987.1164.754.30000109.6
109G44.3Very low58.8Low49 Ų49107.1 Ų107.151%0.50566%0.663SS.*  trans-62.3161.4169.700000110.8G107 R111G107-G109 PolarHBondContact O-N 3.27Å; G109-R111 PolarHBondContact O-N 2.81Å
110P52.8Low61.2Low132 Ų132106 Ų10686%0.85764%0.642SS**  trans-60.3107.917926.2-31.8000107.9R112P110-R112 PolarHBondContact O-N 2.84Å
111R58.4Low63.8Low189 Ų189106.8 Ų106.871%0.71364%0.636SS**  trans-55.9108.7169.8-72.3-178.5178.8-101.3-1.4105.6G109 A113G109-R111 PolarHBondContact O-N 2.81Å; R111-A113 PolarHBondContact O-N 2.96Å
112R62.1Low65.7Low240 Ų240109.6 Ų109.691%0.90662%0.624SS**  trans-52.5113.2161-76.2-176.1175.1179.4-0.8103.9P110 P114P110-R112 PolarHBondContact O-N 2.84Å; R112-P114 WeakPolarHBondContact O-CD 3.24Å
113A70.3Confident68Low20 Ų20107.6 Ų107.617%0.16561%0.607CS.*  trans-96.891.7178.400000105R111 H115 F116 A123 F124R111-A113 PolarHBondContact O-N 2.96Å; A113-H115 PolarHBondContact O-N 3.34Å; A113-F116 WeakPolarHBondContact O-CE2 3.12Å; A113-F116 WeakPolarHBondContact O-CZ 3.5Å; A113-A123 HydrophobicContact CB-CB 3.43Å; A113-A123 VanDerWaalsContact CB-CB 3.43Å; A113-F124 CarbonylContact C-O 3.22Å; A113-F124 VanDerWaalsContact C-O 3.32Å; A113-F124 WeakPolarHBondContact CA-O 3.32Å; A113-F124 WeakPolarHBondContact CB-O 3.46Å
114P79.3Confident70.1Confident78 Ų78100.7 Ų100.751%0.50657%0.569SS.*  trans-71.6-11.4-166.228.5-34.8000112.9R112R112-P114 WeakPolarHBondContact O-CD 3.24Å
115H86Confident72.4Confident49 Ų49100.1 Ų100.123%0.22756%0.555CS.*EExtended strand (participates in β ladder)trans-110.8113.3-173.3-56.3-53.2000110.8A113 A123 F124 L127 L130A113-H115 PolarHBondContact O-N 3.34Å; H115-A123 CarbonylContact O-C 3.36Å; H115-A123 WeakPolarHBondContact O-CA 3.46Å; H115-F124 HydrophobicContact CB-CB 4.45Å; H115-F124 PolarHBondContact N-O 3.4Å; H115-F124 PolarHBondContact O-N 3.09Å; H115-L127 HydrophobicContact CB-CD2 4.31Å; H115-L127 PolarHBondContact CD2-N 2.97Å; H115-L127 VanDerWaalsContact CE1-CD2 3.42Å; H115-L127 WeakPolarHBondContact CE1-CD2 3.49Å; H115-L127 WeakPolarHBondContact CE1-CG 3.4Å; H115-L127 WeakPolarHBondContact ND1-CD2 2.94Å; H115-L130 HydrophobicContact CB-CB 4.09Å; H115-L130 HydrophobicContact CB-CD2 3.79Å
116F89.5Confident74.6Confident124 Ų124100 Ų10054%0.54454%0.538SS..EExtended strand (participates in β ladder)trans-105.5139.4-179-61.7-90.1000110.9A113 R122 A123A113-F116 WeakPolarHBondContact O-CE2 3.12Å; A113-F116 WeakPolarHBondContact O-CZ 3.5Å; F116-R122 WeakPolarHBondContact CA-O 3.42Å; F116-A123 HydrophobicContact CD1-CB 3.72Å; F116-A123 HydrophobicContact CE1-CB 3.5Å; F116-A123 VanDerWaalsContact CE1-CB 3.5Å; F116-A123 HydrophobicContact CZ-CB 4.27Å
117C90.1Very high76.5Confident1 Ų194.6 Ų94.61%0.00752%0.516CS..  trans-74.9123.9170.7-178.20000110.7V119 L121 R122 F124 L130 H133 H137C117-V119 PolarHBondContact O-N 2.72Å; C117-L121 WeakPolarHBondContact O-CA 3.46Å; C117-L121 PolarHBondContact O-N 3.12Å; C117-R122 PolarHBondContact N-O 3.24Å; C117-F124 HydrophobicContact CB-CE2 4.29Å; C117-L130 VanDerWaalsContact CA-CD1 3.49Å; C117-L130 HydrophobicContact CB-CD1 3.74Å; C117-H133 VanDerWaalsContact SG-CD2 3.6Å; C117-H133 PolarHBondContact SG-NE2 3.14Å; C117-H137 VanDerWaalsContact SG-CD2 3.5Å; C117-H137 PolarHBondContact SG-NE2 3.49Å
118P86.6Confident78.7Confident114 Ų11495 Ų9574%0.7451%0.509SS*.THydrogen-bonded Turntrans-67.6-18.7-179.926.7-34.6000113.4
119V89.1Confident80.4Confident99 Ų9990.6 Ų90.660%0.648%0.475SS*.THydrogen-bonded Turntrans-90-45.7-177.2-176.20000112.2C117 H137C117-V119 PolarHBondContact O-N 2.72Å; V119-H137 HydrophobicContact CG1-CB 4.42Å; V119-H137 HydrophobicContact CG2-CB 4.37Å
120C91.7Very high82.5Confident53 Ų5389.6 Ų89.636%0.35846%0.458SS..THydrogen-bonded Turntrans-121.76.7-175.378.50000114.4R122 H133C120-R122 PolarHBondContact O-N 3.08Å; C120-H133 PolarHBondContact SG-NE2 3.45Å
121L88.6Confident84Confident134 Ų13489.1 Ų89.170%0.70244%0.444SS*.  trans55.219.3174.6-55.9175.6000115.2C117C117-L121 WeakPolarHBondContact O-CA 3.46Å; C117-L121 PolarHBondContact O-N 3.12Å
122R87.4Confident85.3Confident167 Ų16786.7 Ų86.763%0.6344%0.435SS*.  trans-71.2136.9172-74.4177.789.4138.63.9109.1F116 C117 C120 F124F116-R122 WeakPolarHBondContact CA-O 3.42Å; C117-R122 PolarHBondContact N-O 3.24Å; C120-R122 PolarHBondContact O-N 3.08Å; R122-F124 HydrophobicContact CB-CE2 3.75Å; R122-F124 HydrophobicContact CB-CZ 3.97Å; R122-F124 WeakPolarHBondContact O-CD2 3.26Å; R122-F124 WeakPolarHBondContact O-CE2 3.42Å
123A88.7Confident86.5Confident48 Ų4876.7 Ų76.740%0.39740%0.399SS..EExtended strand (participates in β ladder)trans-92.9137.9177.900000110.4A113 H115 F116A113-A123 HydrophobicContact CB-CB 3.43Å; A113-A123 VanDerWaalsContact CB-CB 3.43Å; H115-A123 CarbonylContact O-C 3.36Å; H115-A123 WeakPolarHBondContact O-CA 3.46Å; F116-A123 HydrophobicContact CD1-CB 3.72Å; F116-A123 HydrophobicContact CE1-CB 3.5Å; F116-A123 VanDerWaalsContact CE1-CB 3.5Å; F116-A123 HydrophobicContact CZ-CB 4.27Å
124F87.6Confident87.2Confident32 Ų3278.5 Ų78.514%0.1441%0.41CS..EExtended strand (participates in β ladder)trans-124141.7178.4-63.4-85.3000110A113 H115 C117 R122 Y126 D129 L130 H133A113-F124 CarbonylContact C-O 3.22Å; A113-F124 VanDerWaalsContact C-O 3.32Å; A113-F124 WeakPolarHBondContact CA-O 3.32Å; A113-F124 WeakPolarHBondContact CB-O 3.46Å; H115-F124 HydrophobicContact CB-CB 4.45Å; H115-F124 PolarHBondContact N-O 3.4Å; H115-F124 PolarHBondContact O-N 3.09Å; C117-F124 HydrophobicContact CB-CE2 4.29Å; R122-F124 HydrophobicContact CB-CE2 3.75Å; R122-F124 HydrophobicContact CB-CZ 3.97Å; R122-F124 WeakPolarHBondContact O-CD2 3.26Å; R122-F124 WeakPolarHBondContact O-CE2 3.42Å; F124-Y126 VanDerWaalsContact C-N 3.3Å; F124-D129 HydrophobicContact CB-CB 4.08Å; F124-D129 HydrophobicContact CD1-CB 3.83Å; F124-D129 HydrophobicContact CG-CB 4.25Å; F124-L130 HydrophobicContact CB-CB 4.24Å; F124-L130 HydrophobicContact CD2-CB 4.06Å; F124-L130 HydrophobicContact CD2-CD1 3.9Å; F124-L130 HydrophobicContact CE2-CD1 4.18Å; F124-L130 HydrophobicContact CG-CB 4.3Å; F124-H133 HydrophobicContact CE1-CB 3.89Å; F124-H133 HydrophobicContact CE2-CB 3.88Å; F124-H133 AromaticContact CE2-CD2 3.36Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.26Å; F124-H133 AromaticContact CE2-CG 3.55Å; F124-H133 HydrophobicContact CZ-CB 3.45Å; F124-H133 VanDerWaalsContact CZ-CB 3.45Å; F124-H133 AromaticContact CZ-CD2 3.46Å; F124-H133 VanDerWaalsContact CZ-CD2 3.46Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.49Å; F124-H133 AromaticContact CZ-CG 3.16Å; F124-H133 AromaticContact CZ-ND1 3.57Å; F124-H133 AromaticContact CZ-NE2 3.99Å
125P87.3Confident87.5Confident46 Ų4677 Ų7730%0.29940%0.397SS..SBendtrans-71.3-25.3177.427.6-32.1000112.8
126Y87.6Confident87.5Confident127 Ų12777.4 Ų77.450%0.49841%0.405SS..SBendtrans-130148.5-176.4-54-71000111.9F124 D129 L130F124-Y126 VanDerWaalsContact C-N 3.3Å; Y126-D129 WeakPolarHBondContact CD2-OD2 2.76Å; Y126-D129 PolarHBondContact O-N 2.93Å; Y126-L130 PolarHBondContact O-N 2.72Å
127L87.4Confident87.2Confident96 Ų9675.1 Ų75.150%0.50340%0.397SS..Hα-helixtrans-60.7-42.5175.5-80.2173.8000112H115 D129 L130 E131H115-L127 HydrophobicContact CB-CD2 4.31Å; H115-L127 PolarHBondContact CD2-N 2.97Å; H115-L127 VanDerWaalsContact CE1-CD2 3.42Å; H115-L127 WeakPolarHBondContact CE1-CD2 3.49Å; H115-L127 WeakPolarHBondContact CE1-CG 3.4Å; H115-L127 WeakPolarHBondContact ND1-CD2 2.94Å; L127-D129 PolarHBondContact O-N 3.12Å; L127-L130 CarbonylContact O-C 3.32Å; L127-L130 WeakPolarHBondContact O-CA 3.48Å; L127-L130 WeakPolarHBondContact O-CB 3.45Å; L127-L130 PolarHBondContact O-N 2.81Å; L127-E131 WeakPolarHBondContact O-CG 3.48Å; L127-E131 PolarHBondContact O-N 3.12Å
128S85.9Confident86.8Confident73 Ų7376.7 Ų76.751%0.5141%0.408SS..Hα-helixtrans-58.9-34178.956.50000112.7R132S128-R132 WeakPolarHBondContact O-CB 3.5Å; S128-R132 PolarHBondContact O-N 2.9Å
129D87.1Confident86.4Confident32 Ų3278.3 Ų78.317%0.17141%0.405CS..Hα-helixtrans-70.6-39.4173.8-71.9-30.3000112F124 Y126 L127 R132 H133F124-D129 HydrophobicContact CB-CB 4.08Å; F124-D129 HydrophobicContact CD1-CB 3.83Å; F124-D129 HydrophobicContact CG-CB 4.25Å; Y126-D129 WeakPolarHBondContact CD2-OD2 2.76Å; Y126-D129 PolarHBondContact O-N 2.93Å; L127-D129 PolarHBondContact O-N 3.12Å; D129-R132 IonicContact OD1-CZ 3.53Å; D129-R132 IonicContact OD1-NH1 2.79Å; D129-R132 IonicContact OD1-NH2 3.89Å; D129-R132 PolarHBondContact OD1-NH2 3.04Å; D129-H133 WeakPolarHBondContact O-CB 3.28Å; D129-H133 PolarHBondContact O-N 3.19Å
130L88.3Confident85.8Confident28 Ų2879.5 Ų79.515%0.14741%0.408CS..Hα-helixtrans-65.8-44.6175170.962.1000111.4H115 C117 F124 Y126 L127 H133 S134H115-L130 HydrophobicContact CB-CB 4.09Å; H115-L130 HydrophobicContact CB-CD2 3.79Å; C117-L130 VanDerWaalsContact CA-CD1 3.49Å; C117-L130 HydrophobicContact CB-CD1 3.74Å; F124-L130 HydrophobicContact CB-CB 4.24Å; F124-L130 HydrophobicContact CD2-CB 4.06Å; F124-L130 HydrophobicContact CD2-CD1 3.9Å; F124-L130 HydrophobicContact CE2-CD1 4.18Å; F124-L130 HydrophobicContact CG-CB 4.3Å; Y126-L130 PolarHBondContact O-N 2.72Å; L127-L130 CarbonylContact O-C 3.32Å; L127-L130 WeakPolarHBondContact O-CA 3.48Å; L127-L130 WeakPolarHBondContact O-CB 3.45Å; L127-L130 PolarHBondContact O-N 2.81Å; L130-H133 CarbonylContact O-C 3.54Å; L130-H133 WeakPolarHBondContact O-CA 3.27Å; L130-H133 WeakPolarHBondContact O-CB 3.37Å; L130-H133 PolarHBondContact O-N 3.46Å; L130-H133 VanDerWaalsContact O-N 3.17Å; L130-S134 WeakPolarHBondContact O-CB 3.47Å; L130-S134 PolarHBondContact O-N 3.25Å
131E85.3Confident85.3Confident122 Ų12280.6 Ų80.657%0.5741%0.406SS*.Hα-helixtrans-62.4-47.9176.2-72.1174.2169.100111L127 H133 S134 I135L127-E131 WeakPolarHBondContact O-CG 3.48Å; L127-E131 PolarHBondContact O-N 3.12Å; E131-H133 PolarHBondContact O-N 3.33Å; E131-S134 PolarHBondContact O-N 3.16Å; E131-S134 VanDerWaalsContact O-N 3.08Å; E131-S134 PolarHBondContact O-OG 3.15Å; E131-I135 PolarHBondContact O-N 3.22Å
132R84.9Confident84.9Confident137 Ų13778.2 Ų78.252%0.51740%0.399SS..Hα-helixtrans-59.7-36.4173.4-176.4175.864.8-156.9-2.9111.9S128 D129S128-R132 WeakPolarHBondContact O-CB 3.5Å; S128-R132 PolarHBondContact O-N 2.9Å; D129-R132 IonicContact OD1-CZ 3.53Å; D129-R132 IonicContact OD1-NH1 2.79Å; D129-R132 IonicContact OD1-NH2 3.89Å; D129-R132 PolarHBondContact OD1-NH2 3.04Å
133H87.4Confident84.8Confident31 Ų3173.3 Ų73.314%0.14438%0.383CS..Hα-helixtrans-71.5-34.4175.6172.170.9000112.5C117 C120 F124 D129 L130 E131 I135 S136 H137C117-H133 VanDerWaalsContact SG-CD2 3.6Å; C117-H133 PolarHBondContact SG-NE2 3.14Å; C120-H133 PolarHBondContact SG-NE2 3.45Å; F124-H133 HydrophobicContact CE1-CB 3.89Å; F124-H133 HydrophobicContact CE2-CB 3.88Å; F124-H133 AromaticContact CE2-CD2 3.36Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.26Å; F124-H133 AromaticContact CE2-CG 3.55Å; F124-H133 HydrophobicContact CZ-CB 3.45Å; F124-H133 VanDerWaalsContact CZ-CB 3.45Å; F124-H133 AromaticContact CZ-CD2 3.46Å; F124-H133 VanDerWaalsContact CZ-CD2 3.46Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.49Å; F124-H133 AromaticContact CZ-CG 3.16Å; F124-H133 AromaticContact CZ-ND1 3.57Å; F124-H133 AromaticContact CZ-NE2 3.99Å; D129-H133 WeakPolarHBondContact O-CB 3.28Å; D129-H133 PolarHBondContact O-N 3.19Å; L130-H133 CarbonylContact O-C 3.54Å; L130-H133 WeakPolarHBondContact O-CA 3.27Å; L130-H133 WeakPolarHBondContact O-CB 3.37Å; L130-H133 PolarHBondContact O-N 3.46Å; L130-H133 VanDerWaalsContact O-N 3.17Å; E131-H133 PolarHBondContact O-N 3.33Å; H133-I135 PolarHBondContact O-N 3.38Å; H133-S136 PolarHBondContact ND1-OG 2.79Å; H133-S136 WeakPolarHBondContact O-CA 3.36Å; H133-S136 WeakPolarHBondContact O-CB 3.24Å; H133-S136 PolarHBondContact O-N 3.16Å; H133-S136 PolarHBondContact O-OG 3.5Å; H133-H137 AromaticContact CD2-NE2 3.85Å; H133-H137 AromaticContact CE1-NE2 3.56Å; H133-H137 AromaticContact NE2-CD2 3.85Å; H133-H137 AromaticContact NE2-CE1 3.97Å; H133-H137 AromaticContact NE2-NE2 3.02Å; H133-H137 PolarHBondContact NE2-NE2 3.49Å
134S85.1Confident84.8Confident57 Ų5776.6 Ų76.640%0.39939%0.39SS..Hα-helixtrans-64.3-32.4-179.278.10000111.6L130 E131 S136 H137 S138L130-S134 WeakPolarHBondContact O-CB 3.47Å; L130-S134 PolarHBondContact O-N 3.25Å; E131-S134 PolarHBondContact O-N 3.16Å; E131-S134 VanDerWaalsContact O-N 3.08Å; E131-S134 PolarHBondContact O-OG 3.15Å; S134-S136 PolarHBondContact O-N 3.15Å; S134-S136 VanDerWaalsContact O-N 3.12Å; S134-H137 PolarHBondContact O-N 3.14Å; S134-S138 PolarHBondContact O-N 3.43Å
135I86.1Confident84.9Confident47 Ų4775.1 Ų75.124%0.24138%0.384CS..Hα-helixtrans-59.2-23.4170.7-55.7167.6000111.7E131 H133 H137 S138 L140 K153E131-I135 PolarHBondContact O-N 3.22Å; H133-I135 PolarHBondContact O-N 3.38Å; I135-H137 VanDerWaalsContact C-N 3.3Å; I135-H137 PolarHBondContact O-N 2.92Å; I135-S138 WeakPolarHBondContact CA-OG 3.36Å; I135-S138 PolarHBondContact O-N 3.33Å; I135-S138 VanDerWaalsContact O-O 3.05Å; I135-S138 PolarHBondContact O-OG 3.2Å; I135-L140 VanDerWaalsContact CG2-O 3.3Å; I135-L140 WeakPolarHBondContact CG2-O 3.3Å; I135-K153 HydrophobicContact CG2-CB 4.18Å; I135-K153 HydrophobicContact CG2-CD 4.42Å; I135-K153 HydrophobicContact CG2-CG 4.33Å; I135-K153 PolarHBondContact O-NZ 2.88Å
136S85.2Confident85Confident57 Ų5782.4 Ų82.440%0.39941%0.411SS..Hα-helixtrans-68.4-29.2175.379.20000113.1H133 S134 K153H133-S136 PolarHBondContact ND1-OG 2.79Å; H133-S136 WeakPolarHBondContact O-CA 3.36Å; H133-S136 WeakPolarHBondContact O-CB 3.24Å; H133-S136 PolarHBondContact O-N 3.16Å; H133-S136 PolarHBondContact O-OG 3.5Å; S134-S136 PolarHBondContact O-N 3.15Å; S134-S136 VanDerWaalsContact O-N 3.12Å; S136-K153 VanDerWaalsContact C-NZ 3.35Å; S136-K153 PolarHBondContact O-NZ 2.72Å
137H84.6Confident84.9Confident77 Ų7781.6 Ų81.636%0.35642%0.415SS..Hα-helixtrans-84.2-25.2176.3-62.3-60.2000113C117 V119 H133 S134 I135C117-H137 VanDerWaalsContact SG-CD2 3.5Å; C117-H137 PolarHBondContact SG-NE2 3.49Å; V119-H137 HydrophobicContact CG1-CB 4.42Å; V119-H137 HydrophobicContact CG2-CB 4.37Å; H133-H137 AromaticContact CD2-NE2 3.85Å; H133-H137 AromaticContact CE1-NE2 3.56Å; H133-H137 AromaticContact NE2-CD2 3.85Å; H133-H137 AromaticContact NE2-CE1 3.97Å; H133-H137 AromaticContact NE2-NE2 3.02Å; H133-H137 PolarHBondContact NE2-NE2 3.49Å; S134-H137 PolarHBondContact O-N 3.14Å; I135-H137 VanDerWaalsContact C-N 3.3Å; I135-H137 PolarHBondContact O-N 2.92Å
138S80.8Confident85Confident34 Ų3479.4 Ų79.424%0.23841%0.407CS..SBendtrans-85.6157.5174.669.60000111.6S134 I135 L140 K153S134-S138 PolarHBondContact O-N 3.43Å; I135-S138 WeakPolarHBondContact CA-OG 3.36Å; I135-S138 PolarHBondContact O-N 3.33Å; I135-S138 VanDerWaalsContact O-O 3.05Å; I135-S138 PolarHBondContact O-OG 3.2Å; S138-L140 PolarHBondContact O-N 3.42Å; S138-L140 WeakPolarHBondContact OG-CB 3.47Å; S138-K153 PolarHBondContact O-NZ 3.2Å
139E77.9Confident85Confident147 Ų14777.8 Ų77.869%0.68740%0.402SS*.SBendtrans-80.62169.1-71.6-58.1149.400112.7K141E139-K141 PolarHBondContact O-N 3.16Å; E139-K141 IonicContact OE2-NZ 3.71Å; E139-K141 PolarHBondContact OE2-NZ 3.3Å
140L77Confident85Confident125 Ų12581.9 Ų81.965%0.65442%0.418SS*.  trans-66.4123177.7-59.7172000109.5I135 S138I135-L140 VanDerWaalsContact CG2-O 3.3Å; I135-L140 WeakPolarHBondContact CG2-O 3.3Å; S138-L140 PolarHBondContact O-N 3.42Å; S138-L140 WeakPolarHBondContact OG-CB 3.47Å
141K81.3Confident85Confident75 Ų7583.5 Ų83.533%0.32643%0.43SS..  trans-127.380.3178-67.6162.8-170.8113.10106.7E139 H143 T151 F152 K153E139-K141 PolarHBondContact O-N 3.16Å; E139-K141 IonicContact OE2-NZ 3.71Å; E139-K141 PolarHBondContact OE2-NZ 3.3Å; K141-H143 PolarHBondContact O-N 2.79Å; K141-H143 VanDerWaalsContact O-N 3.08Å; K141-T151 WeakPolarHBondContact CB-OG1 3.17Å; K141-T151 VanDerWaalsContact CD-OG1 3.26Å; K141-T151 WeakPolarHBondContact CD-OG1 3.47Å; K141-F152 CarbonylContact C-O 3.52Å; K141-F152 VanDerWaalsContact C-O 3.3Å; K141-K153 HydrophobicContact CG-CG 3.93Å
142P81.1Confident85Confident85 Ų8579.7 Ų79.755%0.55241%0.411SS*.  trans-66.6-12.7-165.622.3-31.8000114.6
143H84.1Confident85Confident63 Ų6376.1 Ų76.129%0.29240%0.399SS..EExtended strand (participates in β ladder)trans-111107.1-175.4-56.4-71.9000111K141 T151 F152 S155 L158K141-H143 PolarHBondContact O-N 2.79Å; K141-H143 VanDerWaalsContact O-N 3.08Å; H143-T151 CarbonylContact O-C 3.54Å; H143-T151 WeakPolarHBondContact O-CA 3.32Å; H143-F152 HydrophobicContact CB-CB 4.36Å; H143-F152 PolarHBondContact N-O 3.15Å; H143-F152 VanDerWaalsContact N-O 3.12Å; H143-F152 PolarHBondContact O-N 3.12Å; H143-S155 PolarHBondContact CD2-N 2.86Å; H143-S155 PolarHBondContact NE2-N 3.12Å; H143-L158 HydrophobicContact CB-CB 4.03Å; H143-L158 HydrophobicContact CB-CD2 3.82Å
144E89.8Confident84.9Confident118 Ų11879.8 Ų79.855%0.55141%0.412SS*.EExtended strand (participates in β ladder)trans-100.3138.8179.1-171.6172.8164.700112.4G149 T151 L158E144-G149 WeakPolarHBondContact OE1-CA 3.36Å; E144-T151 HydrophobicContact CB-CG2 3.96Å; E144-T151 HydrophobicContact CG-CG2 3.84Å; E144-L158 WeakPolarHBondContact O-CD2 3.4Å
145C89.8Confident84.9Confident1 Ų180.5 Ų80.51%0.00742%0.417CS..  trans-81.9116.9169.7-179.80000110.3D147 C148 G149 K150 F152 L158 H161C145-D147 PolarHBondContact O-N 3.01Å; C145-C148 PolarHBondContact O-N 3.3Å; C145-C148 VanDerWaalsContact SG-SG 3.67Å; C145-G149 VanDerWaalsContact O-CA 3.24Å; C145-G149 WeakPolarHBondContact O-CA 3.36Å; C145-G149 PolarHBondContact O-N 2.89Å; C145-K150 HydrophobicContact CB-CB 4.46Å; C145-K150 WeakPolarHBondContact CB-O 3.45Å; C145-K150 PolarHBondContact N-O 2.76Å; C145-F152 HydrophobicContact CB-CE2 4.3Å; C145-L158 VanDerWaalsContact CA-CD1 3.5Å; C145-L158 HydrophobicContact CB-CD1 3.55Å; C145-H161 VanDerWaalsContact SG-CD2 3.6Å
146K88.5Confident84.8Confident199 Ų19981.4 Ų81.487%0.86543%0.427SS*.THydrogen-bonded Turntrans-62.8-30.6179-62.8-177179.3179.40113
147D85.6Confident84.9Confident109 Ų10981 Ų8158%0.58342%0.419SS*.THydrogen-bonded Turntrans-76.3-24.8-176.5-56.1-36.5000113.8C145 H165C145-D147 PolarHBondContact O-N 3.01Å; D147-H165 IonicContact OD2-CD2 3.67Å; D147-H165 IonicContact OD2-CG 3.15Å
148C88.9Confident85.1Confident50 Ų5078.8 Ų78.834%0.33841%0.41SS..THydrogen-bonded Turntrans-143.36.2-175.971.10000116.1C145 K150 H161 H165C145-C148 PolarHBondContact O-N 3.3Å; C145-C148 VanDerWaalsContact SG-SG 3.67Å; C148-K150 PolarHBondContact O-N 3.32Å; C148-K150 VanDerWaalsContact SG-CD 3.59Å; C148-K150 VanDerWaalsContact SG-CG 3.55Å; C148-H161 PolarHBondContact SG-NE2 2.84Å; C148-H165 PolarHBondContact SG-NE2 2.95Å; C148-H165 VanDerWaalsContact SG-NE2 3.4Å
149G85.6Confident85.3Confident39 Ų3986.4 Ų86.440%0.40243%0.433SS..  trans66.511.417900000114.8E144 C145E144-G149 WeakPolarHBondContact OE1-CA 3.36Å; C145-G149 VanDerWaalsContact O-CA 3.24Å; C145-G149 WeakPolarHBondContact O-CA 3.36Å; C145-G149 PolarHBondContact O-N 2.89Å
150K87.5Confident85.7Confident118 Ų11883.5 Ų83.551%0.51342%0.416SS..  trans-76.6129-179.7-73.9177.9-172.3165.90110.5C145 C148 F152C145-K150 HydrophobicContact CB-CB 4.46Å; C145-K150 WeakPolarHBondContact CB-O 3.45Å; C145-K150 PolarHBondContact N-O 2.76Å; C148-K150 PolarHBondContact O-N 3.32Å; C148-K150 VanDerWaalsContact SG-CD 3.59Å; C148-K150 VanDerWaalsContact SG-CG 3.55Å; K150-F152 HydrophobicContact CB-CE2 3.88Å; K150-F152 HydrophobicContact CB-CZ 4.03Å; K150-F152 WeakPolarHBondContact O-CD2 3.41Å; K150-F152 VanDerWaalsContact O-CE2 3.32Å; K150-F152 WeakPolarHBondContact O-CE2 3.38Å
151T87.9Confident86.3Confident63 Ų6378.3 Ų78.339%0.38739%0.389SS..EExtended strand (participates in β ladder)trans-101.8142.3-178.958.90000112.5K141 H143 E144K141-T151 WeakPolarHBondContact CB-OG1 3.17Å; K141-T151 VanDerWaalsContact CD-OG1 3.26Å; K141-T151 WeakPolarHBondContact CD-OG1 3.47Å; H143-T151 CarbonylContact O-C 3.54Å; H143-T151 WeakPolarHBondContact O-CA 3.32Å; E144-T151 HydrophobicContact CB-CG2 3.96Å; E144-T151 HydrophobicContact CG-CG2 3.84Å
152F86.1Confident86.5Confident42 Ų4276.8 Ų76.818%0.18439%0.386CS..EExtended strand (participates in β ladder)trans-129.3146.7-175.2-60.3-86.4000110.9K141 H143 C145 K150 R154 H157 L158 H161K141-F152 CarbonylContact C-O 3.52Å; K141-F152 VanDerWaalsContact C-O 3.3Å; H143-F152 HydrophobicContact CB-CB 4.36Å; H143-F152 PolarHBondContact N-O 3.15Å; H143-F152 VanDerWaalsContact N-O 3.12Å; H143-F152 PolarHBondContact O-N 3.12Å; C145-F152 HydrophobicContact CB-CE2 4.3Å; K150-F152 HydrophobicContact CB-CE2 3.88Å; K150-F152 HydrophobicContact CB-CZ 4.03Å; K150-F152 WeakPolarHBondContact O-CD2 3.41Å; K150-F152 VanDerWaalsContact O-CE2 3.32Å; K150-F152 WeakPolarHBondContact O-CE2 3.38Å; F152-R154 VanDerWaalsContact C-N 3.27Å; F152-R154 PolarHBondContact O-N 3.43Å; F152-H157 HydrophobicContact CB-CB 4.1Å; F152-H157 HydrophobicContact CD1-CB 3.87Å; F152-H157 HydrophobicContact CG-CB 4.2Å; F152-L158 HydrophobicContact CB-CB 4.39Å; F152-L158 HydrophobicContact CD2-CB 3.92Å; F152-L158 HydrophobicContact CD2-CD1 3.79Å; F152-L158 HydrophobicContact CD2-CG 4.47Å; F152-L158 HydrophobicContact CE2-CD1 3.94Å; F152-L158 HydrophobicContact CG-CB 4.35Å; F152-H161 HydrophobicContact CE1-CB 4.03Å; F152-H161 HydrophobicContact CE2-CB 3.84Å; F152-H161 AromaticContact CE2-CD2 3.42Å; F152-H161 VanDerWaalsContact CE2-CD2 3.42Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.35Å; F152-H161 AromaticContact CE2-CG 3.62Å; F152-H161 HydrophobicContact CZ-CB 3.45Å; F152-H161 VanDerWaalsContact CZ-CB 3.45Å; F152-H161 AromaticContact CZ-CD2 3.46Å; F152-H161 VanDerWaalsContact CZ-CD2 3.46Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.5Å; F152-H161 AromaticContact CZ-CG 3.21Å; F152-H161 AromaticContact CZ-ND1 3.68Å
153K85.1Confident86.8Confident62 Ų6274.1 Ų74.127%0.2737%0.368SS..SBendtrans-76.9-10.8175.2-59.7-167.9176.9-147.80113.8I135 S136 S138 K141I135-K153 HydrophobicContact CG2-CB 4.18Å; I135-K153 HydrophobicContact CG2-CD 4.42Å; I135-K153 HydrophobicContact CG2-CG 4.33Å; I135-K153 PolarHBondContact O-NZ 2.88Å; S136-K153 VanDerWaalsContact C-NZ 3.35Å; S136-K153 PolarHBondContact O-NZ 2.72Å; S138-K153 PolarHBondContact O-NZ 3.2Å; K141-K153 HydrophobicContact CG-CG 3.93Å
154R84.6Confident87Confident107 Ų10775 Ų7540%0.40437%0.374SS..SBendtrans-139.6139.1-177-60.5-164.1-72.3-179.9-9.6111.2F152 S156 H157 L158F152-R154 VanDerWaalsContact C-N 3.27Å; F152-R154 PolarHBondContact O-N 3.43Å; R154-S156 VanDerWaalsContact C-N 3.34Å; R154-S156 PolarHBondContact O-N 3.46Å; R154-H157 HydrophobicContact CB-CB 4.24Å; R154-H157 VanDerWaalsContact CZ-NE2 3.27Å; R154-H157 PolarHBondContact NE-CE1 3.32Å; R154-H157 VanDerWaalsContact NE-CE1 3.32Å; R154-H157 PolarHBondContact NE-NE2 2.87Å; R154-H157 VanDerWaalsContact NE-NE2 3.2Å; R154-H157 PolarHBondContact NH2-CE1 3.21Å; R154-H157 VanDerWaalsContact NH2-CE1 3.3Å; R154-H157 PolarHBondContact NH2-NE2 3.17Å; R154-H157 WeakPolarHBondContact O-CB 3.3Å; R154-H157 PolarHBondContact O-N 3.35Å; R154-H157 VanDerWaalsContact O-N 3.14Å; R154-L158 PolarHBondContact O-N 3.27Å
155S84.6Confident86.8Confident73 Ų7373.4 Ų73.451%0.5137%0.366SS..Hα-helixtrans-59.6-42.2174.657.50000112.2H143 H157 L158 R159H143-S155 PolarHBondContact CD2-N 2.86Å; H143-S155 PolarHBondContact NE2-N 3.12Å; S155-H157 PolarHBondContact O-N 3.28Å; S155-L158 CarbonylContact O-C 3.58Å; S155-L158 WeakPolarHBondContact O-CA 3.12Å; S155-L158 WeakPolarHBondContact O-CB 3.15Å; S155-L158 PolarHBondContact O-N 2.97Å; S155-R159 PolarHBondContact O-N 2.59Å
156S85.8Confident86.6Confident65 Ų6576.5 Ų76.546%0.45539%0.392SS..Hα-helixtrans-61.5-30.5176.659.50000113.4R154 R160R154-S156 VanDerWaalsContact C-N 3.34Å; R154-S156 PolarHBondContact O-N 3.46Å; S156-R160 WeakPolarHBondContact O-CB 3.22Å; S156-R160 PolarHBondContact O-N 2.81Å; S156-R160 VanDerWaalsContact O-N 3.16Å
157H87.3Confident86.4Confident49 Ų4969.1 Ų69.123%0.22737%0.372CS..Hα-helixtrans-71-41.8172.7-72.7-171.8000111.9F152 R154 S155 R160 H161F152-H157 HydrophobicContact CB-CB 4.1Å; F152-H157 HydrophobicContact CD1-CB 3.87Å; F152-H157 HydrophobicContact CG-CB 4.2Å; R154-H157 HydrophobicContact CB-CB 4.24Å; R154-H157 VanDerWaalsContact CZ-NE2 3.27Å; R154-H157 PolarHBondContact NE-CE1 3.32Å; R154-H157 VanDerWaalsContact NE-CE1 3.32Å; R154-H157 PolarHBondContact NE-NE2 2.87Å; R154-H157 VanDerWaalsContact NE-NE2 3.2Å; R154-H157 PolarHBondContact NH2-CE1 3.21Å; R154-H157 VanDerWaalsContact NH2-CE1 3.3Å; R154-H157 PolarHBondContact NH2-NE2 3.17Å; R154-H157 WeakPolarHBondContact O-CB 3.3Å; R154-H157 PolarHBondContact O-N 3.35Å; R154-H157 VanDerWaalsContact O-N 3.14Å; S155-H157 PolarHBondContact O-N 3.28Å; H157-R160 PolarHBondContact CD2-NH2 2.97Å; H157-R160 PolarHBondContact NE2-NH2 3.21Å; H157-R160 VanDerWaalsContact NE2-NH2 3.12Å; H157-H161 VanDerWaalsContact O-CB 3.27Å; H157-H161 WeakPolarHBondContact O-CB 3.38Å; H157-H161 PolarHBondContact O-N 3.22Å
158L87.9Confident86.4Confident31 Ų3168.6 Ų68.616%0.16237%0.369CS..Hα-helixtrans-61.6-49.6174.617362.2000110.7H143 E144 C145 F152 R154 S155 R160 H161 C162H143-L158 HydrophobicContact CB-CB 4.03Å; H143-L158 HydrophobicContact CB-CD2 3.82Å; E144-L158 WeakPolarHBondContact O-CD2 3.4Å; C145-L158 VanDerWaalsContact CA-CD1 3.5Å; C145-L158 HydrophobicContact CB-CD1 3.55Å; F152-L158 HydrophobicContact CB-CB 4.39Å; F152-L158 HydrophobicContact CD2-CB 3.92Å; F152-L158 HydrophobicContact CD2-CD1 3.79Å; F152-L158 HydrophobicContact CD2-CG 4.47Å; F152-L158 HydrophobicContact CE2-CD1 3.94Å; F152-L158 HydrophobicContact CG-CB 4.35Å; R154-L158 PolarHBondContact O-N 3.27Å; S155-L158 CarbonylContact O-C 3.58Å; S155-L158 WeakPolarHBondContact O-CA 3.12Å; S155-L158 WeakPolarHBondContact O-CB 3.15Å; S155-L158 PolarHBondContact O-N 2.97Å; L158-R160 VanDerWaalsContact C-N 3.35Å; L158-R160 PolarHBondContact O-N 2.81Å; L158-H161 CarbonylContact O-C 3.43Å; L158-H161 WeakPolarHBondContact O-CA 3.46Å; L158-H161 VanDerWaalsContact O-CB 3.28Å; L158-H161 WeakPolarHBondContact O-CB 3.42Å; L158-H161 PolarHBondContact O-N 3.08Å; L158-C162 PolarHBondContact O-N 3.5Å; L158-C162 PolarHBondContact O-SG 3.25Å
159R85.8Confident86.3Confident193 Ų19371.8 Ų71.873%0.72837%0.374SS*.Hα-helixtrans-55.2-48.9178.2-173.1179.7-68.2173.1-2.1111.9S155 H161 C162 N163S155-R159 PolarHBondContact O-N 2.59Å; R159-H161 VanDerWaalsContact C-N 3.27Å; R159-H161 PolarHBondContact O-N 3.32Å; R159-C162 WeakPolarHBondContact O-CB 3.43Å; R159-C162 PolarHBondContact O-N 3.24Å; R159-C162 VanDerWaalsContact O-N 3.15Å; R159-N163 PolarHBondContact O-N 3.38Å; R159-N163 PolarHBondContact O-OD1 2.93Å
160R85.8Confident86.3Confident86 Ų8672 Ų7233%0.32537%0.368SS..Hα-helixtrans-62.5-34.5175.3178.6174.258.4160.8-8.2112.8S156 H157 L158 N163 E182S156-R160 WeakPolarHBondContact O-CB 3.22Å; S156-R160 PolarHBondContact O-N 2.81Å; S156-R160 VanDerWaalsContact O-N 3.16Å; H157-R160 PolarHBondContact CD2-NH2 2.97Å; H157-R160 PolarHBondContact NE2-NH2 3.21Å; H157-R160 VanDerWaalsContact NE2-NH2 3.12Å; L158-R160 VanDerWaalsContact C-N 3.35Å; L158-R160 PolarHBondContact O-N 2.81Å; R160-N163 WeakPolarHBondContact O-CB 3.49Å; R160-N163 PolarHBondContact O-N 2.87Å; R160-E182 VanDerWaalsContact CD-CD 3.5Å; R160-E182 VanDerWaalsContact CD-OE1 3.3Å; R160-E182 WeakPolarHBondContact CD-OE1 3.5Å; R160-E182 HydrophobicContact CG-CG 4.33Å; R160-E182 IonicContact CZ-OE1 3.88Å; R160-E182 IonicContact CZ-OE2 3.68Å; R160-E182 IonicContact NE-OE1 3.15Å; R160-E182 IonicContact NH1-OE1 2.59Å; R160-E182 PolarHBondContact NH1-OE1 3.2Å; R160-E182 VanDerWaalsContact NH1-OE1 3.15Å; R160-E182 IonicContact NH1-OE2 3.4Å; R160-E182 PolarHBondContact NH1-OE2 3.38Å
161H88.4Confident86.2Confident17 Ų1767.4 Ų67.48%0.07935%0.348CS..Hα-helixtrans-68.2-39.5174174.167.4000111.8C145 C148 F152 H157 L158 R159 N163 I164 H165C145-H161 VanDerWaalsContact SG-CD2 3.6Å; C148-H161 PolarHBondContact SG-NE2 2.84Å; F152-H161 HydrophobicContact CE1-CB 4.03Å; F152-H161 HydrophobicContact CE2-CB 3.84Å; F152-H161 AromaticContact CE2-CD2 3.42Å; F152-H161 VanDerWaalsContact CE2-CD2 3.42Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.35Å; F152-H161 AromaticContact CE2-CG 3.62Å; F152-H161 HydrophobicContact CZ-CB 3.45Å; F152-H161 VanDerWaalsContact CZ-CB 3.45Å; F152-H161 AromaticContact CZ-CD2 3.46Å; F152-H161 VanDerWaalsContact CZ-CD2 3.46Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.5Å; F152-H161 AromaticContact CZ-CG 3.21Å; F152-H161 AromaticContact CZ-ND1 3.68Å; H157-H161 VanDerWaalsContact O-CB 3.27Å; H157-H161 WeakPolarHBondContact O-CB 3.38Å; H157-H161 PolarHBondContact O-N 3.22Å; L158-H161 CarbonylContact O-C 3.43Å; L158-H161 WeakPolarHBondContact O-CA 3.46Å; L158-H161 VanDerWaalsContact O-CB 3.28Å; L158-H161 WeakPolarHBondContact O-CB 3.42Å; L158-H161 PolarHBondContact O-N 3.08Å; R159-H161 VanDerWaalsContact C-N 3.27Å; R159-H161 PolarHBondContact O-N 3.32Å; H161-N163 PolarHBondContact O-N 3.49Å; H161-I164 WeakPolarHBondContact O-CA 3.44Å; H161-I164 WeakPolarHBondContact O-CB 3.42Å; H161-I164 VanDerWaalsContact O-CG1 3.24Å; H161-I164 WeakPolarHBondContact O-CG1 3.14Å; H161-I164 PolarHBondContact O-N 3.16Å; H161-H165 AromaticContact CE1-NE2 3.81Å; H161-H165 AromaticContact NE2-CD2 3.93Å; H161-H165 AromaticContact NE2-NE2 3.36Å; H161-H165 PolarHBondContact NE2-NE2 3.34Å
162C86.9Confident86.2Confident42 Ų4271.5 Ų71.528%0.28436%0.357SS..Hα-helixtrans-62.3-29176.1-63.10000112.7L158 R159 I164 H165 A166L158-C162 PolarHBondContact O-N 3.5Å; L158-C162 PolarHBondContact O-SG 3.25Å; R159-C162 WeakPolarHBondContact O-CB 3.43Å; R159-C162 PolarHBondContact O-N 3.24Å; R159-C162 VanDerWaalsContact O-N 3.15Å; C162-I164 PolarHBondContact O-N 3.14Å; C162-H165 PolarHBondContact O-N 3.39Å; C162-A166 PolarHBondContact O-N 3.47Å
163N87.6Confident86.3Confident30 Ų3069.6 Ų69.616%0.1635%0.348CS..Hα-helixtrans-57.8-19.2170.1-64.4-12.1000113.1R159 R160 H161 G167 L168R159-N163 PolarHBondContact O-N 3.38Å; R159-N163 PolarHBondContact O-OD1 2.93Å; R160-N163 WeakPolarHBondContact O-CB 3.49Å; R160-N163 PolarHBondContact O-N 2.87Å; H161-N163 PolarHBondContact O-N 3.49Å; N163-G167 CarbonylContact O-C 3.48Å; N163-G167 PolarHBondContact O-N 3.45Å; N163-L168 HydrophobicContact CB-CB 4.18Å; N163-L168 PolarHBondContact O-N 2.97Å; N163-L168 VanDerWaalsContact O-N 3.08Å
164I87.1Confident86.4Confident81 Ų8172.9 Ų72.942%0.41537%0.373SS..Hα-helixtrans-70.4-45.9173.3-56.4-178.5000110.9H161 C162 G167 R181H161-I164 WeakPolarHBondContact O-CA 3.44Å; H161-I164 WeakPolarHBondContact O-CB 3.42Å; H161-I164 VanDerWaalsContact O-CG1 3.24Å; H161-I164 WeakPolarHBondContact O-CG1 3.14Å; H161-I164 PolarHBondContact O-N 3.16Å; C162-I164 PolarHBondContact O-N 3.14Å; I164-G167 PolarHBondContact O-N 2.58Å; I164-R181 PolarHBondContact O-NH2 2.84Å
165H86.8Confident86.5Confident84 Ų8473.2 Ų73.239%0.38938%0.383SS..Hα-helixtrans-69.2-46.5179.8-67.3-69.7000111.1D147 C148 H161 C162 G167D147-H165 IonicContact OD2-CD2 3.67Å; D147-H165 IonicContact OD2-CG 3.15Å; C148-H165 PolarHBondContact SG-NE2 2.95Å; C148-H165 VanDerWaalsContact SG-NE2 3.4Å; H161-H165 AromaticContact CE1-NE2 3.81Å; H161-H165 AromaticContact NE2-CD2 3.93Å; H161-H165 AromaticContact NE2-NE2 3.36Å; H161-H165 PolarHBondContact NE2-NE2 3.34Å; C162-H165 PolarHBondContact O-N 3.39Å; H165-G167 PolarHBondContact O-N 3.35Å
166A84.7Confident86.7Confident66 Ų6671.1 Ų71.155%0.54537%0.367SS..SBendtrans-74.8-3.717800000114C162 L168C162-A166 PolarHBondContact O-N 3.47Å; A166-L168 HydrophobicContact CB-CD1 3.96Å; A166-L168 HydrophobicContact CB-CG 3.75Å; A166-L168 PolarHBondContact O-N 3.35Å
167G85.4Confident86.8Confident44 Ų4473.5 Ų73.545%0.45438%0.381SS..  trans66.64.6-177.100000114.9N163 I164 H165 R169N163-G167 CarbonylContact O-C 3.48Å; N163-G167 PolarHBondContact O-N 3.45Å; I164-G167 PolarHBondContact O-N 2.58Å; H165-G167 PolarHBondContact O-N 3.35Å; G167-R169 PolarHBondContact O-N 3.47Å
168L85Confident86.7Confident98 Ų9878.6 Ų78.651%0.51340%0.399SS..  trans-64.5133.5-175.1-62.5177.5000111.7N163 A166 R181N163-L168 HydrophobicContact CB-CB 4.18Å; N163-L168 PolarHBondContact O-N 2.97Å; N163-L168 VanDerWaalsContact O-N 3.08Å; A166-L168 HydrophobicContact CB-CD1 3.96Å; A166-L168 HydrophobicContact CB-CG 3.75Å; A166-L168 PolarHBondContact O-N 3.35Å; L168-R181 WeakPolarHBondContact O-CG 3.46Å
169R87.3Confident86.8Confident117 Ų11783.4 Ų83.444%0.44242%0.415SS..  trans-131.879.4175-67175.7174.4-107.6-0.4108.8G167 F171 R179 F180 R181G167-R169 PolarHBondContact O-N 3.47Å; R169-F171 PolarHBondContact O-N 3.07Å; R169-R179 HydrophobicContact CB-CB 3.56Å; R169-R179 WeakPolarHBondContact CD-O 3.44Å; R169-R179 HydrophobicContact CG-CB 4.42Å; R169-R179 PolarHBondContact NH1-O 3.33Å; R169-F180 CarbonylContact C-O 3.3Å; R169-F180 VanDerWaalsContact C-O 3.22Å; R169-F180 VanDerWaalsContact CA-O 3.26Å; R169-F180 WeakPolarHBondContact CA-O 3.31Å; R169-R181 HydrophobicContact CG-CG 3.98Å
170P84.5Confident86.8Confident43 Ų4375.5 Ų75.528%0.27939%0.386SS..  trans-68.3-19.4-171.224-31.6000113.4
171F85.7Confident86.8Confident23 Ų2374.4 Ų74.410%0.10138%0.381CS..EExtended strand (participates in β ladder)trans-97.9111.2-175.8-61.4-80.4000111R169 R179 F180 R181 A183 L186 P241R169-F171 PolarHBondContact O-N 3.07Å; F171-R179 CarbonylContact O-C 3.47Å; F171-R179 VanDerWaalsContact O-CA 3.24Å; F171-R179 WeakPolarHBondContact O-CA 3.14Å; F171-F180 HydrophobicContact CB-CB 4.14Å; F171-F180 PolarHBondContact N-O 2.97Å; F171-F180 VanDerWaalsContact N-O 3.12Å; F171-F180 PolarHBondContact O-N 3.15Å; F171-R181 WeakPolarHBondContact CD2-O 3.43Å; F171-R181 WeakPolarHBondContact CE2-O 3.49Å; F171-A183 HydrophobicContact CD1-CB 4.05Å; F171-A183 HydrophobicContact CE1-CB 3.53Å; F171-A183 HydrophobicContact CE2-CB 4.49Å; F171-A183 VanDerWaalsContact CE2-N 3.32Å; F171-A183 HydrophobicContact CZ-CB 3.79Å; F171-L186 HydrophobicContact CB-CB 4.06Å; F171-L186 HydrophobicContact CB-CD2 3.75Å; F171-L186 HydrophobicContact CD1-CD2 4.48Å; F171-P241 HydrophobicContact CD1-CB 4.46Å; F171-P241 HydrophobicContact CD1-CG 4.46Å; F171-P241 HydrophobicContact CE1-CB 3.86Å; F171-P241 HydrophobicContact CE1-CG 3.46Å; F171-P241 VanDerWaalsContact CE1-CG 3.46Å; F171-P241 HydrophobicContact CZ-CB 4.22Å; F171-P241 HydrophobicContact CZ-CG 3.72Å
172R87.8Confident86.7Confident149 Ų14976.7 Ų76.756%0.56239%0.392SS*.EExtended strand (participates in β ladder)trans-102.2139.5178.6-179.1177.8175.8-178.60.6111.4R179 L186R172-R179 HydrophobicContact CB-CG 4.26Å; R172-R179 HydrophobicContact CG-CG 4.26Å; R172-L186 WeakPolarHBondContact O-CD2 3.38Å
173C89Confident86.6Confident1 Ų175.9 Ų75.91%0.00739%0.388CS..  trans-75.7134.2167.4-171.80000110.7L175 C176 R178 F180 L186 H190C173-L175 VanDerWaalsContact C-N 3.34Å; C173-L175 PolarHBondContact SG-N 2.74Å; C173-L175 VanDerWaalsContact SG-N 3.43Å; C173-C176 CarbonylContact C-O 3.5Å; C173-R178 PolarHBondContact N-O 2.8Å; C173-F180 HydrophobicContact CB-CE2 4.45Å; C173-L186 HydrophobicContact CB-CD1 3.81Å; C173-H190 VanDerWaalsContact SG-CD2 3.59Å; C173-H190 PolarHBondContact SG-NE2 3.27Å
174V87.3Confident86.5Confident132 Ų13276.8 Ų76.880%0.841%0.405SS*.SBendtrans-77.4-23.9176.3-60.90000112.3
175L85.6Confident86.4Confident114 Ų11476.8 Ų76.860%0.59740%0.404SS*.SBendtrans-92-14.3-176.2-58.3177.4000113.3C173 H193C173-L175 VanDerWaalsContact C-N 3.34Å; C173-L175 PolarHBondContact SG-N 2.74Å; C173-L175 VanDerWaalsContact SG-N 3.43Å; L175-H193 HydrophobicContact CD1-CB 3.36Å; L175-H193 VanDerWaalsContact CD1-CG 3.49Å
176C89Confident86.5Confident28 Ų2873 Ų7319%0.18939%0.386CS..SBendtrans-154.4163.9178.478.90000111.5C173 R178 H189C173-C176 CarbonylContact C-O 3.5Å; C176-R178 PolarHBondContact O-N 3.12Å; C176-H189 PolarHBondContact SG-NE2 3.27Å
177P87.1Confident86.5Confident116 Ų11670.6 Ų70.675%0.75337%0.366SS*.SBendtrans-72.27.2-176.829-35.3000114.6
178R86.7Confident86.4Confident156 Ų15670.8 Ų70.859%0.58936%0.355SS*.  trans-73.1140.5-178.2-69.5-171.5170-156.2-0.9111.9C173 C176 F180C173-R178 PolarHBondContact N-O 2.8Å; C176-R178 PolarHBondContact O-N 3.12Å; R178-F180 HydrophobicContact CB-CE2 3.79Å; R178-F180 HydrophobicContact CB-CZ 3.91Å
179R88.8Confident86.5Confident132 Ų13266.6 Ų66.650%0.49833%0.333SS..EExtended strand (participates in β ladder)trans-122.3148.3175.1-58.8-179.5170.8-123.26.2111R169 F171 R172R169-R179 HydrophobicContact CB-CB 3.56Å; R169-R179 WeakPolarHBondContact CD-O 3.44Å; R169-R179 HydrophobicContact CG-CB 4.42Å; R169-R179 PolarHBondContact NH1-O 3.33Å; F171-R179 CarbonylContact O-C 3.47Å; F171-R179 VanDerWaalsContact O-CA 3.24Å; F171-R179 WeakPolarHBondContact O-CA 3.14Å; R172-R179 HydrophobicContact CB-CG 4.26Å; R172-R179 HydrophobicContact CG-CG 4.26Å
180F86.4Confident86.4Confident27 Ų2763.2 Ų63.212%0.11832%0.322CS..EExtended strand (participates in β ladder)trans-130.7156.3-172.6-60-87.5000110.9R169 F171 C173 R178 E185 L186 H189R169-F180 CarbonylContact C-O 3.3Å; R169-F180 VanDerWaalsContact C-O 3.22Å; R169-F180 VanDerWaalsContact CA-O 3.26Å; R169-F180 WeakPolarHBondContact CA-O 3.31Å; F171-F180 HydrophobicContact CB-CB 4.14Å; F171-F180 PolarHBondContact N-O 2.97Å; F171-F180 VanDerWaalsContact N-O 3.12Å; F171-F180 PolarHBondContact O-N 3.15Å; C173-F180 HydrophobicContact CB-CE2 4.45Å; R178-F180 HydrophobicContact CB-CE2 3.79Å; R178-F180 HydrophobicContact CB-CZ 3.91Å; F180-E185 HydrophobicContact CB-CB 3.99Å; F180-E185 HydrophobicContact CD1-CB 3.76Å; F180-E185 HydrophobicContact CG-CB 4.15Å; F180-L186 HydrophobicContact CB-CB 4.24Å; F180-L186 HydrophobicContact CD2-CB 3.98Å; F180-L186 HydrophobicContact CD2-CD1 3.6Å; F180-L186 HydrophobicContact CD2-CG 4.4Å; F180-L186 HydrophobicContact CE2-CD1 3.82Å; F180-L186 HydrophobicContact CG-CB 4.24Å; F180-H189 HydrophobicContact CE1-CB 3.86Å; F180-H189 HydrophobicContact CE2-CB 3.85Å; F180-H189 AromaticContact CE2-CD2 3.32Å; F180-H189 WeakPolarHBondContact CE2-CD2 3.23Å; F180-H189 AromaticContact CE2-CG 3.59Å; F180-H189 HydrophobicContact CZ-CB 3.38Å; F180-H189 AromaticContact CZ-CD2 3.38Å; F180-H189 WeakPolarHBondContact CZ-CD2 3.15Å; F180-H189 AromaticContact CZ-CG 3.15Å; F180-H189 AromaticContact CZ-ND1 3.66Å; F180-H189 AromaticContact CZ-NE2 3.95Å
181R85.6Confident86.4Confident62 Ų6262.5 Ų62.523%0.23431%0.314CS..SBendtrans-87.7-22.5-179.5-67.3-173.3169.3153.3-4.8112I164 L168 R169 F171 E185I164-R181 PolarHBondContact O-NH2 2.84Å; L168-R181 WeakPolarHBondContact O-CG 3.46Å; R169-R181 HydrophobicContact CG-CG 3.98Å; F171-R181 WeakPolarHBondContact CD2-O 3.43Å; F171-R181 WeakPolarHBondContact CE2-O 3.49Å; R181-E185 PolarHBondContact N-OE2 2.89Å; R181-E185 VanDerWaalsContact N-OE2 3.12Å
182E85.6Confident86.3Confident65 Ų6566.9 Ų66.930%0.30434%0.337SS..SBendtrans-130.2146.2-177.3-43.9-168.1-17900112.4R160 G184 E185 L186R160-E182 VanDerWaalsContact CD-CD 3.5Å; R160-E182 VanDerWaalsContact CD-OE1 3.3Å; R160-E182 WeakPolarHBondContact CD-OE1 3.5Å; R160-E182 HydrophobicContact CG-CG 4.33Å; R160-E182 IonicContact CZ-OE1 3.88Å; R160-E182 IonicContact CZ-OE2 3.68Å; R160-E182 IonicContact NE-OE1 3.15Å; R160-E182 IonicContact NH1-OE1 2.59Å; R160-E182 PolarHBondContact NH1-OE1 3.2Å; R160-E182 VanDerWaalsContact NH1-OE1 3.15Å; R160-E182 IonicContact NH1-OE2 3.4Å; R160-E182 PolarHBondContact NH1-OE2 3.38Å; E182-G184 PolarHBondContact O-N 3.06Å; E182-E185 HydrophobicContact CB-CB 4.45Å; E182-E185 HydrophobicContact CB-CG 4.02Å; E182-E185 HydrophobicContact CG-CG 4.32Å; E182-E185 PolarHBondContact N-OE2 2.82Å; E182-E185 WeakPolarHBondContact O-CB 3.44Å; E182-E185 PolarHBondContact O-N 3.01Å; E182-E185 VanDerWaalsContact O-N 3.16Å; E182-L186 PolarHBondContact O-N 3.46Å
183A85.8Confident86.1Confident25 Ų2563.7 Ų63.721%0.20733%0.328CS..Hα-helixtrans-57.5-38.5173.900000112.2F171 E185 L186 A187 P239F171-A183 HydrophobicContact CD1-CB 4.05Å; F171-A183 HydrophobicContact CE1-CB 3.53Å; F171-A183 HydrophobicContact CE2-CB 4.49Å; F171-A183 VanDerWaalsContact CE2-N 3.32Å; F171-A183 HydrophobicContact CZ-CB 3.79Å; A183-E185 VanDerWaalsContact C-N 3.34Å; A183-E185 PolarHBondContact O-N 3.35Å; A183-L186 PolarHBondContact O-N 3.02Å; A183-A187 WeakPolarHBondContact O-CB 3.36Å; A183-A187 PolarHBondContact O-N 3.09Å; A183-P239 HydrophobicContact CB-CG 3.91Å; A183-P239 WeakPolarHBondContact O-CG 3.1Å
184G84.5Confident85.7Confident50 Ų5066.7 Ų66.752%0.51535%0.349SS..Hα-helixtrans-65.8-34.9178.900000113.3E182 H188E182-G184 PolarHBondContact O-N 3.06Å; G184-H188 WeakPolarHBondContact O-CB 3.46Å; G184-H188 PolarHBondContact O-N 3.11Å
185E86Confident85.3Confident81 Ų8163 Ų6338%0.37934%0.337SS..Hα-helixtrans-67.3-43.7175-67.3178.8156.400111F180 R181 E182 A183 H188 H189F180-E185 HydrophobicContact CB-CB 3.99Å; F180-E185 HydrophobicContact CD1-CB 3.76Å; F180-E185 HydrophobicContact CG-CB 4.15Å; R181-E185 PolarHBondContact N-OE2 2.89Å; R181-E185 VanDerWaalsContact N-OE2 3.12Å; E182-E185 HydrophobicContact CB-CB 4.45Å; E182-E185 HydrophobicContact CB-CG 4.02Å; E182-E185 HydrophobicContact CG-CG 4.32Å; E182-E185 PolarHBondContact N-OE2 2.82Å; E182-E185 WeakPolarHBondContact O-CB 3.44Å; E182-E185 PolarHBondContact O-N 3.01Å; E182-E185 VanDerWaalsContact O-N 3.16Å; A183-E185 VanDerWaalsContact C-N 3.34Å; A183-E185 PolarHBondContact O-N 3.35Å; E185-H188 PolarHBondContact O-N 3.48Å; E185-H189 VanDerWaalsContact O-CB 3.31Å; E185-H189 WeakPolarHBondContact O-CB 3.37Å; E185-H189 PolarHBondContact O-N 3.2Å
186L88.6Confident85.1Confident5 Ų562.3 Ų62.33%0.02633%0.331CS..Hα-helixtrans-64.1-44.8176177.361.6000111.6F171 R172 C173 F180 E182 A183 H188 H189 H190 P239F171-L186 HydrophobicContact CB-CB 4.06Å; F171-L186 HydrophobicContact CB-CD2 3.75Å; F171-L186 HydrophobicContact CD1-CD2 4.48Å; R172-L186 WeakPolarHBondContact O-CD2 3.38Å; C173-L186 HydrophobicContact CB-CD1 3.81Å; F180-L186 HydrophobicContact CB-CB 4.24Å; F180-L186 HydrophobicContact CD2-CB 3.98Å; F180-L186 HydrophobicContact CD2-CD1 3.6Å; F180-L186 HydrophobicContact CD2-CG 4.4Å; F180-L186 HydrophobicContact CE2-CD1 3.82Å; F180-L186 HydrophobicContact CG-CB 4.24Å; E182-L186 PolarHBondContact O-N 3.46Å; A183-L186 PolarHBondContact O-N 3.02Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 2.94Å; L186-H189 WeakPolarHBondContact O-CB 3.38Å; L186-H189 PolarHBondContact O-N 2.75Å; L186-H189 VanDerWaalsContact O-N 3.14Å; L186-H190 WeakPolarHBondContact CD1-NE2 3.44Å; L186-H190 PolarHBondContact O-CD2 3.24Å; L186-H190 PolarHBondContact O-N 2.88Å; L186-P239 HydrophobicContact CB-CG 3.91Å; L186-P239 HydrophobicContact CD2-CB 3.4Å; L186-P239 HydrophobicContact CD2-CG 3.73Å; L186-P239 HydrophobicContact CG-CB 4.01Å; L186-P239 HydrophobicContact CG-CG 3.9Å
187A85.3Confident84.7Confident15 Ų1566.9 Ų66.912%0.12435%0.345CS..Hα-helixtrans-61.3-38.5176.300000112A183 P239A183-A187 WeakPolarHBondContact O-CB 3.36Å; A183-A187 PolarHBondContact O-N 3.09Å; A187-P239 HydrophobicContact CB-CG 4.41Å
188H83.8Confident84.3Confident47 Ų4762.5 Ų62.522%0.21832%0.316CS..Hα-helixtrans-66.8-44.4173.2179.653.4000111.7G184 E185 L186 H190 R191 E210G184-H188 WeakPolarHBondContact O-CB 3.46Å; G184-H188 PolarHBondContact O-N 3.11Å; E185-H188 PolarHBondContact O-N 3.48Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 2.94Å; H188-H190 VanDerWaalsContact C-N 3.29Å; H188-H190 PolarHBondContact O-N 3.18Å; H188-R191 PolarHBondContact ND1-NH1 3.47Å; H188-R191 VanDerWaalsContact O-CB 3.3Å; H188-R191 WeakPolarHBondContact O-CB 3.31Å; H188-R191 PolarHBondContact O-N 2.97Å; H188-R191 VanDerWaalsContact O-N 3.09Å; H188-E210 IonicContact CD2-OE1 3.99Å; H188-E210 WeakPolarHBondContact CE1-CG 3.49Å; H188-E210 IonicContact CE1-OE1 3.69Å; H188-E210 IonicContact NE2-OE1 2.79Å; H188-E210 PolarHBondContact NE2-OE1 2.8Å; H188-E210 VanDerWaalsContact NE2-OE1 3.15Å
189H86.9Confident84Confident10 Ų1056.2 Ų56.25%0.04629%0.292CS..Hα-helixtrans-60.2-37.9177.7172.363.3000112.7C176 F180 E185 L186 R191 I192 H193C176-H189 PolarHBondContact SG-NE2 3.27Å; F180-H189 HydrophobicContact CE1-CB 3.86Å; F180-H189 HydrophobicContact CE2-CB 3.85Å; F180-H189 AromaticContact CE2-CD2 3.32Å; F180-H189 WeakPolarHBondContact CE2-CD2 3.23Å; F180-H189 AromaticContact CE2-CG 3.59Å; F180-H189 HydrophobicContact CZ-CB 3.38Å; F180-H189 AromaticContact CZ-CD2 3.38Å; F180-H189 WeakPolarHBondContact CZ-CD2 3.15Å; F180-H189 AromaticContact CZ-CG 3.15Å; F180-H189 AromaticContact CZ-ND1 3.66Å; F180-H189 AromaticContact CZ-NE2 3.95Å; E185-H189 VanDerWaalsContact O-CB 3.31Å; E185-H189 WeakPolarHBondContact O-CB 3.37Å; E185-H189 PolarHBondContact O-N 3.2Å; L186-H189 WeakPolarHBondContact O-CB 3.38Å; L186-H189 PolarHBondContact O-N 2.75Å; L186-H189 VanDerWaalsContact O-N 3.14Å; H189-R191 PolarHBondContact O-N 2.92Å; H189-R191 VanDerWaalsContact O-N 3.16Å; H189-I192 VanDerWaalsContact O-CB 3.23Å; H189-I192 WeakPolarHBondContact O-CB 3.48Å; H189-I192 WeakPolarHBondContact O-CG1 3.31Å; H189-I192 PolarHBondContact O-N 2.92Å; H189-H193 AromaticContact CE1-NE2 3.85Å; H189-H193 AromaticContact NE2-CD2 3.98Å; H189-H193 AromaticContact NE2-NE2 3.49Å; H189-H193 PolarHBondContact NE2-NE2 3.19Å
190H84.6Confident83.8Confident47 Ų4753.6 Ų53.622%0.21829%0.286CS..Hα-helixtrans-58.3-27.8175.9-73.5-173.2000113.1C173 L186 H188 I192 H193 S194C173-H190 VanDerWaalsContact SG-CD2 3.59Å; C173-H190 PolarHBondContact SG-NE2 3.27Å; L186-H190 WeakPolarHBondContact CD1-NE2 3.44Å; L186-H190 PolarHBondContact O-CD2 3.24Å; L186-H190 PolarHBondContact O-N 2.88Å; H188-H190 VanDerWaalsContact C-N 3.29Å; H188-H190 PolarHBondContact O-N 3.18Å; H190-I192 PolarHBondContact O-N 3.25Å; H190-H193 WeakPolarHBondContact O-CB 3.4Å; H190-H193 PolarHBondContact O-N 3.49Å; H190-S194 PolarHBondContact O-N 3.35Å
191R85Confident83.7Confident28 Ų2852.3 Ų52.311%0.10628%0.28CS..Hα-helixtrans-65.3-19.5174.6-56.1-178.6-159.9143.911.2113.4H188 H189 H193 S194 G195 E196 T209 P235H188-R191 PolarHBondContact ND1-NH1 3.47Å; H188-R191 VanDerWaalsContact O-CB 3.3Å; H188-R191 WeakPolarHBondContact O-CB 3.31Å; H188-R191 PolarHBondContact O-N 2.97Å; H188-R191 VanDerWaalsContact O-N 3.09Å; H189-R191 PolarHBondContact O-N 2.92Å; H189-R191 VanDerWaalsContact O-N 3.16Å; R191-H193 VanDerWaalsContact C-N 3.33Å; R191-S194 WeakPolarHBondContact CA-OG 3.16Å; R191-G195 VanDerWaalsContact O-CA 3.31Å; R191-G195 WeakPolarHBondContact O-CA 3.3Å; R191-G195 PolarHBondContact O-N 3.24Å; R191-E196 HydrophobicContact CB-CB 4.45Å; R191-E196 HydrophobicContact CG-CB 4.45Å; R191-E196 PolarHBondContact O-N 3.43Å; R191-T209 PolarHBondContact NH1-O 2.89Å; R191-P235 VanDerWaalsContact CZ-CG 3.41Å
192I82.9Confident83.4Confident115 Ų11553 Ų5359%0.5929%0.292SS*.Hα-helixtrans-69.8-37.2173.1-56.8178.1000109.9H189 H190H189-I192 VanDerWaalsContact O-CB 3.23Å; H189-I192 WeakPolarHBondContact O-CB 3.48Å; H189-I192 WeakPolarHBondContact O-CG1 3.31Å; H189-I192 PolarHBondContact O-N 2.92Å; H190-I192 PolarHBondContact O-N 3.25Å
193H82.7Confident83.2Confident82 Ų8252.5 Ų52.538%0.3830%0.296SS..Hα-helixtrans-76.8-40.4177.6-67.9-71.8000112.3L175 H189 H190 R191L175-H193 HydrophobicContact CD1-CB 3.36Å; L175-H193 VanDerWaalsContact CD1-CG 3.49Å; H189-H193 AromaticContact CE1-NE2 3.85Å; H189-H193 AromaticContact NE2-CD2 3.98Å; H189-H193 AromaticContact NE2-NE2 3.49Å; H189-H193 PolarHBondContact NE2-NE2 3.19Å; H190-H193 WeakPolarHBondContact O-CB 3.4Å; H190-H193 PolarHBondContact O-N 3.49Å; R191-H193 VanDerWaalsContact C-N 3.33Å
194S81.5Confident83.3Confident64 Ų6453.6 Ų53.645%0.44830%0.302SS..Hα-helixtrans-81.8-14.3178.364.80000114.1H190 R191 E196H190-S194 PolarHBondContact O-N 3.35Å; R191-S194 WeakPolarHBondContact CA-OG 3.16Å; S194-E196 PolarHBondContact O-N 3.17Å; S194-E196 VanDerWaalsContact OG-CG 3.31Å; S194-E196 WeakPolarHBondContact OG-CG 3.1Å; S194-E196 PolarHBondContact OG-OE1 2.75Å
195G79.9Confident83.2Confident53 Ų5360.6 Ų60.655%0.54631%0.313SS..  trans68.210.5-174.600000114R191 R197R191-G195 VanDerWaalsContact O-CA 3.31Å; R191-G195 WeakPolarHBondContact O-CA 3.3Å; R191-G195 PolarHBondContact O-N 3.24Å; G195-R197 PolarHBondContact O-N 2.87Å
196E80.1Confident83.1Confident100 Ų10059.6 Ų59.647%0.46731%0.312SS..  trans-64.8126.2-176.3-78.4173-153.700112.4R191 S194 P198R191-E196 HydrophobicContact CB-CB 4.45Å; R191-E196 HydrophobicContact CG-CB 4.45Å; R191-E196 PolarHBondContact O-N 3.43Å; S194-E196 PolarHBondContact O-N 3.17Å; S194-E196 VanDerWaalsContact OG-CG 3.31Å; S194-E196 WeakPolarHBondContact OG-CG 3.1Å; S194-E196 PolarHBondContact OG-OE1 2.75Å; E196-P198 VanDerWaalsContact C-CD 3.47Å; E196-P198 VanDerWaalsContact O-CD 3.27Å; E196-P198 WeakPolarHBondContact O-CD 3.44Å
197R80.6Confident82.9Confident125 Ų12564.7 Ų64.747%0.47233%0.331SS..  trans-117.478.9172.8-62.5171.579.1153.82.8108.9G195 Y199 R207 F208 T209G195-R197 PolarHBondContact O-N 2.87Å; R197-Y199 PolarHBondContact O-N 3.32Å; R197-R207 HydrophobicContact CB-CB 3.6Å; R197-R207 PolarHBondContact NE-O 3.21Å; R197-R207 PolarHBondContact NH2-O 3.44Å; R197-R207 VanDerWaalsContact O-CZ 3.31Å; R197-R207 PolarHBondContact O-NE 2.66Å; R197-R207 PolarHBondContact O-NH2 3.18Å; R197-F208 CarbonylContact C-O 3.59Å; R197-F208 WeakPolarHBondContact CA-O 3.48Å; R197-T209 HydrophobicContact CG-CG2 3.88Å
198P79.4Confident82.7Confident23 Ų2365.1 Ų65.115%0.14933%0.33CS..  trans-71.5-17.9-172.226-32.6000113E196 P235E196-P198 VanDerWaalsContact C-CD 3.47Å; E196-P198 VanDerWaalsContact O-CD 3.27Å; E196-P198 WeakPolarHBondContact O-CD 3.44Å; P198-P235 HydrophobicContact CG-CG 4.19Å
199Y80.9Confident82.6Confident24 Ų2465.3 Ų65.39%0.09434%0.335CS..EExtended strand (participates in β ladder)trans-100.8112.5-173.2-55.3-60.6000111.4R197 R207 F208 T209 E210 A211 L232R197-Y199 PolarHBondContact O-N 3.32Å; Y199-R207 CarbonylContact O-C 3.35Å; Y199-R207 VanDerWaalsContact O-CA 3.24Å; Y199-R207 WeakPolarHBondContact O-CA 3.37Å; Y199-F208 WeakPolarHBondContact CB-O 3.35Å; Y199-F208 PolarHBondContact N-O 3.41Å; Y199-F208 VanDerWaalsContact N-O 3.17Å; Y199-F208 PolarHBondContact O-N 3.48Å; Y199-T209 VanDerWaalsContact CE2-O 3.28Å; Y199-T209 WeakPolarHBondContact CE2-O 3.28Å; Y199-E210 VanDerWaalsContact CD2-CA 3.47Å; Y199-E210 VanDerWaalsContact CE2-C 3.48Å; Y199-A211 HydrophobicContact CD1-CB 4.33Å; Y199-A211 VanDerWaalsContact CD2-N 3.29Å; Y199-A211 HydrophobicContact CE1-CB 4.04Å; Y199-A211 HydrophobicContact CE2-CB 4.24Å; Y199-L232 HydrophobicContact CD1-CB 4.21Å; Y199-L232 HydrophobicContact CD1-CD2 3.19Å; Y199-L232 HydrophobicContact CD1-CG 4.27Å; Y199-L232 HydrophobicContact CE1-CB 3.98Å; Y199-L232 HydrophobicContact CE1-CD2 3.47Å; Y199-L232 VanDerWaalsContact CE1-CD2 3.47Å; Y199-L232 HydrophobicContact CE1-CG 4.26Å; Y199-L232 HydrophobicContact CG-CD2 4.15Å
200Q83Confident82.4Confident78 Ų7868.1 Ų68.136%0.36435%0.348SS..EExtended strand (participates in β ladder)trans-107.7135.9178.9-171.717034.300111.1R205 R207Q200-R205 WeakPolarHBondContact CG-O 3.43Å; Q200-R205 PolarHBondContact NE2-O 2.67Å; Q200-R207 HydrophobicContact CB-CG 4.45Å; Q200-R207 HydrophobicContact CG-CG 4.26Å
201C84Confident82.4Confident0 Ų067.2 Ų67.20%035%0.348CS..  trans-70.2124.9168.6-177.30000109.6S203 C204 R205 V206 F208 L214 H222C201-S203 VanDerWaalsContact C-N 3.26Å; C201-S203 PolarHBondContact O-N 3.24Å; C201-C204 VanDerWaalsContact CB-SG 3.54Å; C201-C204 PolarHBondContact SG-SG 2.92Å; C201-R205 WeakPolarHBondContact O-CA 3.09Å; C201-R205 PolarHBondContact O-N 3.19Å; C201-V206 PolarHBondContact N-O 3.15Å; C201-F208 HydrophobicContact CB-CE2 4.35Å; C201-L214 HydrophobicContact CB-CD1 3.83Å; C201-H222 VanDerWaalsContact SG-CD2 3.58Å
202P80.3Confident82.4Confident75 Ų7571.1 Ų71.149%0.48737%0.371SS..THydrogen-bonded Turntrans-66.2-30.1-179.325.3-33000112.5Y218P202-Y218 HydrophobicContact CG-CE2 4.21Å
203S82.2Confident82.6Confident55 Ų5567.3 Ų67.339%0.38535%0.354SS..THydrogen-bonded Turntrans-84.5-44.7-173.9-50.60000113.1C201 H222 L225C201-S203 VanDerWaalsContact C-N 3.26Å; C201-S203 PolarHBondContact O-N 3.24Å; S203-H222 VanDerWaalsContact CB-CE1 3.49Å; S203-H222 WeakPolarHBondContact CB-CE1 3.24Å; S203-L225 WeakPolarHBondContact OG-CD1 3.39Å
204C87Confident82.8Confident49 Ų4963.5 Ų63.533%0.33134%0.336SS..THydrogen-bonded Turntrans-113.73.7-177.267.60000114.2C201 V206 H217 H222C201-C204 VanDerWaalsContact CB-SG 3.54Å; C201-C204 PolarHBondContact SG-SG 2.92Å; C204-V206 HydrophobicContact CB-CG2 4.38Å; C204-V206 PolarHBondContact O-N 2.94Å; C204-V206 VanDerWaalsContact SG-CG2 3.57Å; C204-H217 PolarHBondContact SG-NE2 3.45Å; C204-H222 PolarHBondContact SG-NE2 3.18Å
205R82.7Confident83Confident196 Ų19668.4 Ų68.474%0.7435%0.345SS*.  trans58.26.3178.4-62.4-174.8179.4-174.10.4116.1Q200 C201 R207Q200-R205 WeakPolarHBondContact CG-O 3.43Å; Q200-R205 PolarHBondContact NE2-O 2.67Å; C201-R205 WeakPolarHBondContact O-CA 3.09Å; C201-R205 PolarHBondContact O-N 3.19Å; R205-R207 PolarHBondContact O-N 3.43Å
206V83.8Confident83.3Confident61 Ų6172.8 Ų72.837%0.3735%0.345SS..  trans-63.4131.5173.8-179.80000109.6C201 C204 F208C201-V206 PolarHBondContact N-O 3.15Å; C204-V206 HydrophobicContact CB-CG2 4.38Å; C204-V206 PolarHBondContact O-N 2.94Å; C204-V206 VanDerWaalsContact SG-CG2 3.57Å; V206-F208 HydrophobicContact CB-CE2 4Å; V206-F208 HydrophobicContact CB-CZ 4.04Å; V206-F208 HydrophobicContact CG1-CE1 4.03Å; V206-F208 HydrophobicContact CG1-CE2 3.75Å; V206-F208 HydrophobicContact CG1-CZ 3.44Å; V206-F208 VanDerWaalsContact CG1-CZ 3.44Å; V206-F208 WeakPolarHBondContact O-CE2 3.27Å
207R83.9Confident83.7Confident112 Ų11269.9 Ų69.942%0.42333%0.331SS..EExtended strand (participates in β ladder)trans-95.5149.9-179.5-51.3-174.671.3100.1-1.3111.4R197 Y199 Q200 R205R197-R207 HydrophobicContact CB-CB 3.6Å; R197-R207 PolarHBondContact NE-O 3.21Å; R197-R207 PolarHBondContact NH2-O 3.44Å; R197-R207 VanDerWaalsContact O-CZ 3.31Å; R197-R207 PolarHBondContact O-NE 2.66Å; R197-R207 PolarHBondContact O-NH2 3.18Å; Y199-R207 CarbonylContact O-C 3.35Å; Y199-R207 VanDerWaalsContact O-CA 3.24Å; Y199-R207 WeakPolarHBondContact O-CA 3.37Å; Q200-R207 HydrophobicContact CB-CG 4.45Å; Q200-R207 HydrophobicContact CG-CG 4.26Å; R205-R207 PolarHBondContact O-N 3.43Å
208F81.8Confident83.9Confident23 Ų2364.7 Ų64.710%0.10131%0.312CS..EExtended strand (participates in β ladder)trans-136.8150.7-179.3-59.2-84.1000110.1R197 Y199 C201 V206 E210 T213 L214 H217R197-F208 CarbonylContact C-O 3.59Å; R197-F208 WeakPolarHBondContact CA-O 3.48Å; Y199-F208 WeakPolarHBondContact CB-O 3.35Å; Y199-F208 PolarHBondContact N-O 3.41Å; Y199-F208 VanDerWaalsContact N-O 3.17Å; Y199-F208 PolarHBondContact O-N 3.48Å; C201-F208 HydrophobicContact CB-CE2 4.35Å; V206-F208 HydrophobicContact CB-CE2 4Å; V206-F208 HydrophobicContact CB-CZ 4.04Å; V206-F208 HydrophobicContact CG1-CE1 4.03Å; V206-F208 HydrophobicContact CG1-CE2 3.75Å; V206-F208 HydrophobicContact CG1-CZ 3.44Å; V206-F208 VanDerWaalsContact CG1-CZ 3.44Å; V206-F208 WeakPolarHBondContact O-CE2 3.27Å; F208-E210 VanDerWaalsContact C-N 3.35Å; F208-T213 HydrophobicContact CD1-CG2 3.58Å; F208-T213 HydrophobicContact CE1-CG2 4.11Å; F208-T213 HydrophobicContact CG-CG2 4.39Å; F208-L214 HydrophobicContact CB-CB 4.22Å; F208-L214 HydrophobicContact CD2-CB 3.76Å; F208-L214 HydrophobicContact CD2-CD1 3.73Å; F208-L214 HydrophobicContact CD2-CG 4.34Å; F208-L214 HydrophobicContact CE2-CB 4.45Å; F208-L214 HydrophobicContact CE2-CD1 3.88Å; F208-L214 HydrophobicContact CG-CB 4.13Å; F208-H217 HydrophobicContact CE1-CB 4.09Å; F208-H217 HydrophobicContact CE2-CB 4.13Å; F208-H217 AromaticContact CE2-CD2 3.76Å; F208-H217 AromaticContact CE2-CG 3.84Å; F208-H217 HydrophobicContact CZ-CB 3.58Å; F208-H217 AromaticContact CZ-CD2 3.69Å; F208-H217 AromaticContact CZ-CG 3.31Å; F208-H217 AromaticContact CZ-ND1 3.6Å
209T81.9Confident84.2Confident51 Ų5171.2 Ų71.231%0.31334%0.338SS..SBendtrans-78.8-21.417552.10000112.2R191 R197 Y199R191-T209 PolarHBondContact NH1-O 2.89Å; R197-T209 HydrophobicContact CG-CG2 3.88Å; Y199-T209 VanDerWaalsContact CE2-O 3.28Å; Y199-T209 WeakPolarHBondContact CE2-O 3.28Å
210E82.7Confident84.5Confident70 Ų7078.7 Ų78.733%0.32737%0.366SS..  trans-128.7142.7-177-63.9173.5-171.500113.6H188 Y199 F208 N212 T213 L214H188-E210 IonicContact CD2-OE1 3.99Å; H188-E210 WeakPolarHBondContact CE1-CG 3.49Å; H188-E210 IonicContact CE1-OE1 3.69Å; H188-E210 IonicContact NE2-OE1 2.79Å; H188-E210 PolarHBondContact NE2-OE1 2.8Å; H188-E210 VanDerWaalsContact NE2-OE1 3.15Å; Y199-E210 VanDerWaalsContact CD2-CA 3.47Å; Y199-E210 VanDerWaalsContact CE2-C 3.48Å; F208-E210 VanDerWaalsContact C-N 3.35Å; E210-N212 PolarHBondContact O-N 3.41Å; E210-T213 PolarHBondContact O-N 2.68Å; E210-T213 PolarHBondContact OE2-OG1 2.95Å; E210-L214 PolarHBondContact O-N 2.93Å; E210-L214 VanDerWaalsContact O-N 3.15Å
211A83.4Confident84.6Confident27 Ų2781.8 Ų81.822%0.22338%0.378CS..Hα-helixtrans-66.2-36.1175.400000112.6Y199 L214 R215 L232Y199-A211 HydrophobicContact CD1-CB 4.33Å; Y199-A211 VanDerWaalsContact CD2-N 3.29Å; Y199-A211 HydrophobicContact CE1-CB 4.04Å; Y199-A211 HydrophobicContact CE2-CB 4.24Å; A211-L214 WeakPolarHBondContact O-CB 3.5Å; A211-L214 PolarHBondContact O-N 2.89Å; A211-R215 WeakPolarHBondContact O-CB 3.27Å; A211-R215 PolarHBondContact O-N 3.32Å; A211-L232 HydrophobicContact CB-CD1 4.4Å; A211-L232 HydrophobicContact CB-CD2 3.72Å
212N85.4Confident84.6Confident110 Ų11083.5 Ų83.559%0.58839%0.386SS*.Hα-helixtrans-70-39.1-179.9-163.728.1000111.5E210 R215 R216E210-N212 PolarHBondContact O-N 3.41Å; N212-R215 PolarHBondContact O-N 2.87Å; N212-R216 WeakPolarHBondContact O-CB 3.38Å; N212-R216 PolarHBondContact O-N 2.8Å
213T87.3Confident84.5Confident36 Ų3683.4 Ų83.422%0.22139%0.385CS..Hα-helixtrans-63.4-42.4174.6-66.50000111.3F208 E210 R216 H217F208-T213 HydrophobicContact CD1-CG2 3.58Å; F208-T213 HydrophobicContact CE1-CG2 4.11Å; F208-T213 HydrophobicContact CG-CG2 4.39Å; E210-T213 PolarHBondContact O-N 2.68Å; E210-T213 PolarHBondContact OE2-OG1 2.95Å; T213-R216 PolarHBondContact O-N 3.32Å; T213-H217 WeakPolarHBondContact O-CB 3.42Å; T213-H217 PolarHBondContact O-N 2.9Å
214L87.2Confident84Confident2 Ų289 Ų891%0.0141%0.405CS..Hα-helixtrans-59.5-48.3170.416668.1000112C201 F208 E210 A211 R216 H217 Y218 V230 L232C201-L214 HydrophobicContact CB-CD1 3.83Å; F208-L214 HydrophobicContact CB-CB 4.22Å; F208-L214 HydrophobicContact CD2-CB 3.76Å; F208-L214 HydrophobicContact CD2-CD1 3.73Å; F208-L214 HydrophobicContact CD2-CG 4.34Å; F208-L214 HydrophobicContact CE2-CB 4.45Å; F208-L214 HydrophobicContact CE2-CD1 3.88Å; F208-L214 HydrophobicContact CG-CB 4.13Å; E210-L214 PolarHBondContact O-N 2.93Å; E210-L214 VanDerWaalsContact O-N 3.15Å; A211-L214 WeakPolarHBondContact O-CB 3.5Å; A211-L214 PolarHBondContact O-N 2.89Å; L214-R216 VanDerWaalsContact C-N 3.32Å; L214-R216 PolarHBondContact O-N 3.17Å; L214-H217 WeakPolarHBondContact O-CB 3.47Å; L214-H217 PolarHBondContact O-N 3.07Å; L214-Y218 WeakPolarHBondContact O-CB 3.26Å; L214-Y218 PolarHBondContact O-N 2.94Å; L214-V230 HydrophobicContact CD1-CG1 4.46Å; L214-V230 HydrophobicContact CD2-CB 4.06Å; L214-V230 HydrophobicContact CD2-CG1 3.31Å; L214-V230 HydrophobicContact CD2-CG2 4.38Å; L214-V230 HydrophobicContact CG-CG1 4.27Å; L214-L232 HydrophobicContact CD2-CD2 4.05Å
215R84.6Confident82.9Confident167 Ų16790 Ų9063%0.6341%0.407SS*.Hα-helixtrans-59.9-42.9-179.8-175.2-179.9-69.4163.1-2.5111.6A211 N212 Y218 K219A211-R215 WeakPolarHBondContact O-CB 3.27Å; A211-R215 PolarHBondContact O-N 3.32Å; N212-R215 PolarHBondContact O-N 2.87Å; R215-Y218 PolarHBondContact O-N 2.84Å; R215-K219 WeakPolarHBondContact O-CB 3.41Å; R215-K219 PolarHBondContact O-N 3.46Å
216R87.3Confident81.8Confident145 Ų14586.1 Ų86.155%0.54741%0.405SS..Hα-helixtrans-64.8-42.9175.3-178.6175.862.7-168.9-4.1111.8N212 T213 L214 R220N212-R216 WeakPolarHBondContact O-CB 3.38Å; N212-R216 PolarHBondContact O-N 2.8Å; T213-R216 PolarHBondContact O-N 3.32Å; L214-R216 VanDerWaalsContact C-N 3.32Å; L214-R216 PolarHBondContact O-N 3.17Å; R216-R220 WeakPolarHBondContact O-CB 3.4Å; R216-R220 PolarHBondContact O-N 3.19Å
217H88.8Confident80.9Confident38 Ų3886.6 Ų86.618%0.17642%0.422CS..Hα-helixtrans-59.3-49174.3164.287.2000110.8C204 F208 T213 L214 R220 K221 H222C204-H217 PolarHBondContact SG-NE2 3.45Å; F208-H217 HydrophobicContact CE1-CB 4.09Å; F208-H217 HydrophobicContact CE2-CB 4.13Å; F208-H217 AromaticContact CE2-CD2 3.76Å; F208-H217 AromaticContact CE2-CG 3.84Å; F208-H217 HydrophobicContact CZ-CB 3.58Å; F208-H217 AromaticContact CZ-CD2 3.69Å; F208-H217 AromaticContact CZ-CG 3.31Å; F208-H217 AromaticContact CZ-ND1 3.6Å; T213-H217 WeakPolarHBondContact O-CB 3.42Å; T213-H217 PolarHBondContact O-N 2.9Å; L214-H217 WeakPolarHBondContact O-CB 3.47Å; L214-H217 PolarHBondContact O-N 3.07Å; H217-R220 PolarHBondContact O-N 3.44Å; H217-K221 WeakPolarHBondContact O-CB 3.36Å; H217-K221 PolarHBondContact O-N 3.03Å; H217-H222 AromaticContact NE2-NE2 3.74Å
218Y84.1Confident79.4Confident16 Ų1687.1 Ų87.16%0.06343%0.431CS..Hα-helixtrans-60.1-49.6-179.3-168.8-102.3000111.7P202 L214 R215 R220 K221 H222 L225P202-Y218 HydrophobicContact CG-CE2 4.21Å; L214-Y218 WeakPolarHBondContact O-CB 3.26Å; L214-Y218 PolarHBondContact O-N 2.94Å; R215-Y218 PolarHBondContact O-N 2.84Å; Y218-R220 PolarHBondContact O-N 2.85Å; Y218-K221 PolarHBondContact O-N 3.35Å; Y218-H222 HydrophobicContact CD2-CB 3.94Å; Y218-H222 AromaticContact CD2-CD2 3.78Å; Y218-H222 HydrophobicContact CE2-CB 3.95Å; Y218-H222 HydrophobicContact CG-CB 4.39Å; Y218-H222 CarbonylContact O-C 3.28Å; Y218-H222 VanDerWaalsContact O-C 3.28Å; Y218-H222 VanDerWaalsContact O-CA 3.27Å; Y218-H222 WeakPolarHBondContact O-CA 3.35Å; Y218-H222 WeakPolarHBondContact O-CB 3.43Å; Y218-H222 PolarHBondContact O-N 2.88Å; Y218-L225 HydrophobicContact CE1-CB 4.29Å; Y218-L225 WeakPolarHBondContact CE1-O 3.38Å; Y218-L225 HydrophobicContact CE2-CB 4.43Å; Y218-L225 WeakPolarHBondContact OH-CB 3.32Å; Y218-L225 PolarHBondContact OH-O 3.49Å
219K85.1Confident78.1Confident160 Ų16091.8 Ų91.870%0.69646%0.463SS*.Hα-helixtrans-59.2-32.3177.4-171.9175.5-179.1178.90113.3R215R215-K219 WeakPolarHBondContact O-CB 3.41Å; R215-K219 PolarHBondContact O-N 3.46Å
220R87.7Confident76.9Confident182 Ų18291 Ų9169%0.68746%0.459SS*.Hα-helixtrans-87.7-38.3-176.8-172.4-177.2-62.8175.3-2.7113.4R216 H217 Y218R216-R220 WeakPolarHBondContact O-CB 3.4Å; R216-R220 PolarHBondContact O-N 3.19Å; H217-R220 PolarHBondContact O-N 3.44Å; Y218-R220 PolarHBondContact O-N 2.85Å
221K85.1Confident75.6Confident142 Ų14299 Ų9962%0.61749%0.486SS*.Hα-helixtrans-101.8-16.6-173.1-68.1-65.6-170.6176.50113.3H217 Y218 P223H217-K221 WeakPolarHBondContact O-CB 3.36Å; H217-K221 PolarHBondContact O-N 3.03Å; Y218-K221 PolarHBondContact O-N 3.35Å; K221-P223 VanDerWaalsContact C-CD 3.45Å
222H84.7Confident74.3Confident36 Ų36101.6 Ų101.617%0.16750%0.495CS..  trans-133.359178.4-54.1-61.1000110.9C201 S203 C204 H217 Y218 E224 L225C201-H222 VanDerWaalsContact SG-CD2 3.58Å; S203-H222 VanDerWaalsContact CB-CE1 3.49Å; S203-H222 WeakPolarHBondContact CB-CE1 3.24Å; C204-H222 PolarHBondContact SG-NE2 3.18Å; H217-H222 AromaticContact NE2-NE2 3.74Å; Y218-H222 HydrophobicContact CD2-CB 3.94Å; Y218-H222 AromaticContact CD2-CD2 3.78Å; Y218-H222 HydrophobicContact CE2-CB 3.95Å; Y218-H222 HydrophobicContact CG-CB 4.39Å; Y218-H222 CarbonylContact O-C 3.28Å; Y218-H222 VanDerWaalsContact O-C 3.28Å; Y218-H222 VanDerWaalsContact O-CA 3.27Å; Y218-H222 WeakPolarHBondContact O-CA 3.35Å; Y218-H222 WeakPolarHBondContact O-CB 3.43Å; Y218-H222 PolarHBondContact O-N 2.88Å; H222-E224 PolarHBondContact O-N 3.46Å; H222-L225 HydrophobicContact CB-CD1 4.4Å; H222-L225 PolarHBondContact O-N 2.97Å
223P77Confident72.4Confident74 Ų74100.6 Ų100.648%0.48150%0.496SS..G310 helixtrans-63.4-26.7179.927.6-34.4000113.1K221 L225 V226K221-P223 VanDerWaalsContact C-CD 3.45Å; P223-L225 VanDerWaalsContact C-N 3.29Å; P223-L225 PolarHBondContact O-N 3.1Å; P223-V226 VanDerWaalsContact O-CG2 3.22Å; P223-V226 WeakPolarHBondContact O-CG2 3.41Å
224E71.9Confident70.7Confident172 Ų172104.2 Ų104.280%0.80452%0.52SS*.G310 helixtrans-75.9-10.1-179.5-57.7-55.5127.800114.2H222H222-E224 PolarHBondContact O-N 3.46Å
225L64.4Low69.1Low71 Ų71106 Ų10637%0.37253%0.532SS..G310 helixtrans-113.921.1-174.9-59.2174.4000113.1S203 Y218 H222 P223 G227 M228S203-L225 WeakPolarHBondContact OG-CD1 3.39Å; Y218-L225 HydrophobicContact CE1-CB 4.29Å; Y218-L225 WeakPolarHBondContact CE1-O 3.38Å; Y218-L225 HydrophobicContact CE2-CB 4.43Å; Y218-L225 WeakPolarHBondContact OH-CB 3.32Å; Y218-L225 PolarHBondContact OH-O 3.49Å; H222-L225 HydrophobicContact CB-CD1 4.4Å; H222-L225 PolarHBondContact O-N 2.97Å; P223-L225 VanDerWaalsContact C-N 3.29Å; P223-L225 PolarHBondContact O-N 3.1Å; L225-G227 PolarHBondContact O-N 3.21Å; L225-M228 PolarHBondContact O-N 2.99Å
226V60.1Low67.4Low113 Ų113104.6 Ų104.669%0.68554%0.537SS*.THydrogen-bonded Turntrans-59.4108.1-179.4174.80000110.2P223P223-V226 VanDerWaalsContact O-CG2 3.22Å; P223-V226 WeakPolarHBondContact O-CG2 3.41Å
227G63.8Low65.7Low72 Ų72101.5 Ų101.574%0.74254%0.536SS*.THydrogen-bonded Turntrans137.7-15.1176.200000115.2L225L225-G227 PolarHBondContact O-N 3.21Å
228M52.8Low64.1Low123 Ų123110.1 Ų110.161%0.60657%0.567SS**  trans-75.4131.5179.2-71.9-168.3157.900112.4L225 V230L225-M228 PolarHBondContact O-N 2.99Å; M228-V230 PolarHBondContact O-N 2.95Å; M228-V230 VanDerWaalsContact O-N 3.1Å
229P54.8Low62.7Low120 Ų120110.3 Ų110.378%0.77957%0.57SS**  trans-69111.2177.227.4-32000109R231P229-R231 PolarHBondContact O-N 2.96Å
230V57.4Low61.3Low36 Ų36111.3 Ų111.322%0.21858%0.577CS.*  trans-68.3120.5171.8-167.60000107.6L214 M228 L232L214-V230 HydrophobicContact CD1-CG1 4.46Å; L214-V230 HydrophobicContact CD2-CB 4.06Å; L214-V230 HydrophobicContact CD2-CG1 3.31Å; L214-V230 HydrophobicContact CD2-CG2 4.38Å; L214-V230 HydrophobicContact CG-CG1 4.27Å; M228-V230 PolarHBondContact O-N 2.95Å; M228-V230 VanDerWaalsContact O-N 3.1Å; V230-L232 PolarHBondContact O-N 3.39Å
231R55.2Low59.8Low238 Ų238104.8 Ų104.890%0.89856%0.558SS**  trans-65103.1174.2-71.1-165.5177.4-158.31108.5P229P229-R231 PolarHBondContact O-N 2.96Å
232L55.8Low58.3Low80 Ų80105.6 Ų105.642%0.41957%0.569SS.*  trans-89.5102.6173.5-60.8166.4000106.1Y199 A211 L214 V230 P234Y199-L232 HydrophobicContact CD1-CB 4.21Å; Y199-L232 HydrophobicContact CD1-CD2 3.19Å; Y199-L232 HydrophobicContact CD1-CG 4.27Å; Y199-L232 HydrophobicContact CE1-CB 3.98Å; Y199-L232 HydrophobicContact CE1-CD2 3.47Å; Y199-L232 VanDerWaalsContact CE1-CD2 3.47Å; Y199-L232 HydrophobicContact CE1-CG 4.26Å; Y199-L232 HydrophobicContact CG-CD2 4.15Å; A211-L232 HydrophobicContact CB-CD1 4.4Å; A211-L232 HydrophobicContact CB-CD2 3.72Å; L214-L232 HydrophobicContact CD2-CD2 4.05Å; V230-L232 PolarHBondContact O-N 3.39Å; L232-P234 VanDerWaalsContact O-CD 3.27Å; L232-P234 WeakPolarHBondContact O-CD 3.27Å
233C45.9Very low56.3Low90 Ų90110.2 Ų110.261%0.60859%0.585SS**PPolyproline II helixtrans-68.6116.3167-166.30000106.9P235C233-P235 VanDerWaalsContact O-CD 3.26Å; C233-P235 WeakPolarHBondContact O-CD 3.45Å
234P52.1Low54.2Low111 Ų111113.4 Ų113.472%0.72160%0.598SS**PPolyproline II helixtrans-71.9122.3-178.126.8-30000109.4L232L232-P234 VanDerWaalsContact O-CD 3.27Å; L232-P234 WeakPolarHBondContact O-CD 3.27Å
235P52.3Low52.5Low39 Ų39111 Ų11125%0.25359%0.59SS.*PPolyproline II helixtrans-78.2127.9169.331.2-32000109.3R191 P198 C233R191-P235 VanDerWaalsContact CZ-CG 3.41Å; P198-P235 HydrophobicContact CG-CG 4.19Å; C233-P235 VanDerWaalsContact O-CD 3.26Å; C233-P235 WeakPolarHBondContact O-CD 3.45Å
236N49.3Very low51.5Low139 Ų139114.1 Ų114.174%0.74361%0.607SS**  trans-104.1125.6165.3-156.714.1000106.9R238N236-R238 PolarHBondContact OD1-N 2.79Å
237P52.3Low50.7Low79 Ų79115.7 Ų115.751%0.51361%0.612SS.*  -128.3148.181.313.87.1000112.2P239P237-P239 WeakPolarHBondContact O-CD 3.22Å
238R54.4Low49.8Very low220 Ų220120.3 Ų120.383%0.8362%0.619SS**  trans-84.6102.3169.1-163179.8-162.6-129.55.1107.2N236 Q240N236-R238 PolarHBondContact OD1-N 2.79Å; R238-Q240 PolarHBondContact O-N 3.31Å
239P55.8Low49.2Very low20 Ų20121.3 Ų121.313%0.1363%0.627CS.*PPolyproline II helixtrans-66.2125.4177.725.6-31.4000108.6A183 L186 A187 P237A183-P239 HydrophobicContact CB-CG 3.91Å; A183-P239 WeakPolarHBondContact O-CG 3.1Å; L186-P239 HydrophobicContact CB-CG 3.91Å; L186-P239 HydrophobicContact CD2-CB 3.4Å; L186-P239 HydrophobicContact CD2-CG 3.73Å; L186-P239 HydrophobicContact CG-CB 4.01Å; L186-P239 HydrophobicContact CG-CG 3.9Å; A187-P239 HydrophobicContact CB-CG 4.41Å; P237-P239 WeakPolarHBondContact O-CD 3.22Å
240Q55.7Low49.2Very low180 Ų180123.6 Ų123.684%0.84163%0.627SS**PPolyproline II helixtrans-73.8133.2174.7-71.9-168.6-43.500108.8R238R238-Q240 PolarHBondContact O-N 3.31Å
241P55.7Low48.4Very low45 Ų45129.9 Ų129.929%0.29265%0.654SS.*PPolyproline II helixtrans-58.4142.7163.8-8.220.2000109.4F171 W243F171-P241 HydrophobicContact CD1-CB 4.46Å; F171-P241 HydrophobicContact CD1-CG 4.46Å; F171-P241 HydrophobicContact CE1-CB 3.86Å; F171-P241 HydrophobicContact CE1-CG 3.46Å; F171-P241 VanDerWaalsContact CE1-CG 3.46Å; F171-P241 HydrophobicContact CZ-CB 4.22Å; F171-P241 HydrophobicContact CZ-CG 3.72Å; P241-W243 VanDerWaalsContact C-N 3.31Å; P241-W243 HydrophobicContact CB-CG 4.22Å; P241-W243 VanDerWaalsContact CG-NE1 3.32Å; P241-W243 PolarHBondContact O-N 3.38Å
242L52.3Low47.8Very low160 Ų160121.8 Ų121.884%0.83865%0.646SS**  trans-92.175.9160.2-172.176.1000106.3
243W44.3Very low46.8Very low133 Ų133124.7 Ų124.750%0.50467%0.666SS.*  trans-117.4129.8151.949.4-85000104.9P241 D245P241-W243 VanDerWaalsContact C-N 3.31Å; P241-W243 HydrophobicContact CB-CG 4.22Å; P241-W243 VanDerWaalsContact CG-NE1 3.32Å; P241-W243 PolarHBondContact O-N 3.38Å; W243-D245 HydrophobicContact CE3-CB 4.19Å; W243-D245 HydrophobicContact CH2-CB 4.49Å; W243-D245 VanDerWaalsContact CH2-CG 3.48Å; W243-D245 WeakPolarHBondContact CH2-OD1 3.49Å; W243-D245 WeakPolarHBondContact CZ2-OD1 3.21Å; W243-D245 HydrophobicContact CZ3-CB 3.88Å; W243-D245 WeakPolarHBondContact CZ3-OD1 3.04Å; W243-D245 PolarHBondContact O-N 3.31Å; W243-D245 VanDerWaalsContact O-N 3.09Å
244D33.1Very low46.6Very low141 Ų141125.2 Ų125.275%0.75467%0.668SS**  trans-58.3111.6165.3-57.5-76.7000106D246D244-D246 PolarHBondContact O-N 2.87Å
245D36.3Very low45.9Very low121 Ų121127.2 Ų127.265%0.64768%0.678SS**  trans-69.383.5172.1-77.3-101.5000107.8W243W243-D245 HydrophobicContact CE3-CB 4.19Å; W243-D245 HydrophobicContact CH2-CB 4.49Å; W243-D245 VanDerWaalsContact CH2-CG 3.48Å; W243-D245 WeakPolarHBondContact CH2-OD1 3.49Å; W243-D245 WeakPolarHBondContact CZ2-OD1 3.21Å; W243-D245 HydrophobicContact CZ3-CB 3.88Å; W243-D245 WeakPolarHBondContact CZ3-OD1 3.04Å; W243-D245 PolarHBondContact O-N 3.31Å; W243-D245 VanDerWaalsContact O-N 3.09Å
246D42.4Very low45.2Very low137 Ų137129.2 Ų129.273%0.73370%0.698SS**  trans-120.6142.4156.8-83.4-64.5000108.9D244D244-D246 PolarHBondContact O-N 2.87Å
247D42.6Very low44.5Very low146 Ų146130.2 Ų130.278%0.78170%0.698SS**  trans86.279.2175.8-62.5-74.8000117.9
248D45.3Very low43.9Very low168 Ų168134.1 Ų134.190%0.89870%0.703SS**  trans-70.797.1135.7-141.5-74.7000107.1
249D40.7Very low43.1Very low145 Ų145130.1 Ų130.178%0.77570%0.703SS**  trans-154.7129.9153-108.6-54.9000111.1
250E55.4Low42.2Very low167 Ų167135.4 Ų135.478%0.7873%0.725SS**  trans-57.1130.3160.3-87.9-104.3103.900108.8
251E40.8Very low41.3Very low168 Ų168135.6 Ų135.679%0.78573%0.726SS**  trans176.5129.1132.6-89.5-46.711800107.3
252G41.3Very low40.4Very low69 Ų69141.7 Ų141.771%0.71175%0.751SS**  trans-77135.1-177.300000112.6
253V34.8Very low39.7Very low140 Ų140139.2 Ų139.285%0.84875%0.747SS**  trans-155.5155.9151.8-118.20000111.9
254P42.5Very low39.8Very low101 Ų101138.7 Ų138.766%0.65676%0.761SS**  trans-88.5147.8-15938.7-38.6000112.3A256P254-A256 PolarHBondContact O-N 3.27Å
255V37.2Very low40Very low153 Ų153141 Ų14193%0.92777%0.767SS**  trans-89.997.1167.6178.50000108.3
256A37.1Very low40Very low81 Ų81138.7 Ų138.767%0.66977%0.772SS**  trans-116.1147.8158.600000108.8P254P254-A256 PolarHBondContact O-N 3.27Å
257E34.8Very low39.6Very low160 Ų160142.4 Ų142.475%0.74878%0.782SS**  trans71.7144.6173.8-68.6-159.59600116.8
258R40.4Very low39.1Very low161 Ų161138.8 Ų138.861%0.60878%0.778SS**  cis-177.3121.8-11.7169-177.8-166.3131.9-1.9102.7Q260R258-Q260 HydrophobicContact CG-CG 4.08Å; R258-Q260 VanDerWaalsContact NE-CD 3.29Å
259V36.9Very low39.4Very low137 Ų137137.1 Ų137.183%0.8378%0.777SS**  trans-117.9103.4159.3-1770000105.8E261V259-E261 PolarHBondContact O-N 3.42Å
260Q36.4Very low39Very low130 Ų130135.1 Ų135.161%0.60778%0.781SS**  trans-67.8114.7161.9-72.9168.7-56.600106.5R258R258-Q260 HydrophobicContact CG-CG 4.08Å; R258-Q260 VanDerWaalsContact NE-CD 3.29Å
261E37.3Very low38Very low184 Ų184132.7 Ų132.786%0.8678%0.782SS**  trans-92.6103.4156.4-82.8-114.7116.600106.7V259V259-E261 PolarHBondContact O-N 3.42Å
262E35.7Very low38.2Very low174 Ų174130.7 Ų130.781%0.81378%0.784SS**  trans-65128.6164.252.2-153.97600110.8
263S39.5Very low37.9Very low108 Ų108135.1 Ų135.176%0.75579%0.79SS**  trans-88.3137177.4-173.40000110
264P45.5Very low38.7Very low122 Ų122134.5 Ų134.579%0.79279%0.789SS**  trans-106.4107.3160.932-23.1000110.6
265E36.5Very low38.1Very low188 Ų188132.7 Ų132.788%0.87979%0.789SS**  trans-73138.9158.6-70.8-169.698.500109.9
266G36.2Very low37.8Very low73 Ų73134.6 Ų134.675%0.75379%0.785SS**  trans-76.3170.7-164.500000116.6
267K34.8Very low37.7Very low216 Ų216136.5 Ų136.594%0.93979%0.788SS**  trans-156128.7158.9-106.5163.1-178.4179.40108.9
268G31.2Very low37.5Very low69 Ų69133.8 Ų133.871%0.71179%0.794SS**  trans-137178.8150.100000107.8
269P51.5Low37.1Very low134 Ų134129.3 Ų129.387%0.8780%0.798SS**  cis-127.4157-30.136.3-22.1000111.3
270A32.7Very low36.9Very low103 Ų103128.2 Ų128.285%0.85180%0.796SS**  trans-155.1102.7158.400000110.8
271S34.8Very low36.8Very low116 Ų116127.3 Ų127.381%0.81180%0.804SS**  trans-70.3157.9150.4-66.90000108.5
272P45.3Very low36.4Very low126 Ų126123.2 Ų123.282%0.81880%0.802SS**  cis-142159.34136.3-14.4000118.1
273L34.9Very low36.3Very low162 Ų162119.5 Ų119.585%0.84880%0.801SS**  trans-62.9176.3159.4-62.4175.8000110.8
274P50.6Low35.9Very low126 Ų126119.5 Ų119.582%0.81881%0.807SS**  cis-142.4171.61438.2-17.7000116.7
275G31.3Very low35.3Very low64 Ų64117.4 Ų117.466%0.6681%0.808SS**  trans166.696.5157.900000118
276F29.5Very low35.4Very low193 Ų193120.1 Ų120.185%0.84681%0.81SS**  trans61.2123.5138.6-70.6-87.8000123.8
277T35.1Very low35.3Very low120 Ų120120.4 Ų120.474%0.73681%0.812SS**  trans78.3111.6133.662.60000122.6
278A32Very low35.5Very low104 Ų104118.7 Ų118.786%0.8681%0.808SS**  73.4140.9114.300000122.5
279G30.7Very low35.6Very low67 Ų67119.3 Ų119.369%0.69181%0.814SS**  trans96.5100.2152.300000114.4
280S32.4Very low34.8Very low114 Ų114115.9 Ų115.980%0.79780%0.803SS**  71.4125.278.1-660000115
281S34.4Very low34.9Very low111 Ų111119.3 Ų119.378%0.77680%0.802SS**  trans75.5113.5146.3-48.60000117
282A30.8Very low35Very low98 Ų98120.6 Ų120.681%0.8180%0.799SS**  82.2150.27600000114.2
283A32Very low34.7Very low96 Ų96121.4 Ų121.479%0.79380%0.802SS**  trans83.5107.8171.900000115
284A31.4Very low35.2Very low108 Ų108121.7 Ų121.789%0.89380%0.804SS**  89.3130.275.600000111.5
285G34.2Very low34.6Very low78 Ų78123.7 Ų123.780%0.80481%0.806SS**  trans170.280.7173.800000113
286R37.1Very low34.8Very low245 Ų245126.5 Ų126.593%0.92582%0.816SS**  trans-55.8147.3160.2-80.5169.1140.7-169.9-5.3110.2
287G33.7Very low35.1Very low78 Ų78121 Ų12180%0.80481%0.813SS**  trans-166.3101.2162.600000110.8
288Q39.3Very low35.3Very low181 Ų181122 Ų12285%0.84681%0.813SS**  trans-80.9162.2173.8-69.4170.116.100111.1
289G34.2Very low35.5Very low82 Ų82123.7 Ų123.785%0.84581%0.813SS**  trans98.9127.9158.400000112.2
290G33.9Very low35.9Very low62 Ų62124.9 Ų124.964%0.63981%0.811SS**  cis157.1165.36.900000107.5
291Q35.8Very low36Very low175 Ų175127.1 Ų127.182%0.81881%0.812SS**  trans64.4110.6151.641.7-167.24.300119.3
292D35.7Very low36.1Very low142 Ų142127.1 Ų127.176%0.75981%0.808SS**  56.6118.1119.5-44.8-32.3000118.9
293T39.5Very low36.4Very low143 Ų143131.7 Ų131.788%0.87781%0.812SS**  -171.2127.6119.716.60000112.4
294L44.6Very low36.5Very low169 Ų169131 Ų13189%0.88582%0.815SS**  trans-68.4136.1165.8-70.6153.7000110.2
295I37.9Very low36.7Very low167 Ų167129.8 Ų129.886%0.85681%0.812SS**  trans-146.6116.3147.9-42.2176.2000109.4
296S37Very low37.1Very low124 Ų124134.8 Ų134.887%0.86782%0.815SS**  trans-69.9147.5164-69.70000111
297G34.8Very low37.4Very low76 Ų76133.3 Ų133.378%0.78482%0.815SS**  trans-156.9106.7162.200000109.7
298D39.5Very low37.6Very low141 Ų141138.8 Ų138.875%0.75482%0.82SS**  trans-75.7151.1162.282.2-75.5000109.3
299V37.1Very low37.6Very low141 Ų141133.6 Ų133.686%0.85582%0.815SS**  trans-156.8129.5144.8114.20000109.1
300S38.5Very low38.2Very low92 Ų92135.9 Ų135.964%0.64382%0.815SS**  trans-89.4-171.6174.1-64.60000111.2
301I34.6Very low38.7Very low160 Ų160144.3 Ų144.382%0.82183%0.828SS**  trans78.5134.6165.610.2-170.3000115.8
302T36.3Very low39.4Very low112 Ų112141.2 Ų141.269%0.68782%0.823SS**  cis-164155.727.123.60000110.7
303E36.9Very low39.5Very low193 Ų193142.7 Ų142.790%0.90283%0.83SS**  trans32.5143.1135.6-45.8-156.5128.200120.8
304G34.1Very low39.4Very low82 Ų82139.2 Ų139.285%0.84582%0.823SS**  cis152.1151.22100000106.4
305G35.8Very low40.1Very low82 Ų82136.8 Ų136.885%0.84582%0.817SS**  trans157.790.7171.500000117.3
306Q42.4Very low40.3Very low183 Ų183136.7 Ų136.786%0.85582%0.818SS**  trans-64.5153.4162.8-68.5166.6-17.800111.9
307K43.1Very low40.5Very low215 Ų215134.6 Ų134.694%0.93581%0.808SS**  trans-169.3142.6133-101.5161.6-167.8-168.80112.5
308Q38.4Very low40.8Very low192 Ų192136 Ų13690%0.89780%0.802SS**  trans-95.4148.9-168.4-58171.728.300112.8
309G38.4Very low40.9Very low73 Ų73137.8 Ų137.875%0.75381%0.805SS**  trans64.5167.2141.700000120
310P48.6Very low41.4Very low130 Ų130139.7 Ų139.784%0.84481%0.805SS**  cis-131.4170.111.738-19.5000116.2
311R43.7Very low42.6Very low238 Ų238140.9 Ų140.990%0.89881%0.81SS**  trans-84.7157.2158.7-71.8177.3158.5-135-2.5109.7
312P50.4Low43.8Very low111 Ų111139.4 Ų139.472%0.72181%0.811SS**  -147.6144.4100.6212.9000115.1
313L38.2Very low44.2Very low173 Ų173138.6 Ų138.691%0.90682%0.815SS**  94.7122.9105.5-70.4169.2000115
314G36.6Very low45.3Very low70 Ų70140.9 Ų140.972%0.72283%0.834SS**  trans-82.2-146.2165.600000111.3
315P59.7Low45.8Very low118 Ų118143.8 Ų143.877%0.76683%0.833SS**  cis-129.6174.1-4.540.6-24.9000112.9
316D41.5Very low46.4Very low164 Ų164147.1 Ų147.188%0.87783%0.833SS**  trans-164.3130.6142.1-99-45.5000112.6
317A41.2Very low46.6Very low81 Ų81145.1 Ų145.167%0.66983%0.831SS**  trans-73.8166.5166.100000108.9
318V41.8Very low46.8Very low106 Ų106140.9 Ų140.964%0.64283%0.825SS**  164.7137.691162.10000109.2
319Q41.3Very low47.3Very low178 Ų178137.8 Ų137.883%0.83282%0.821SS**  trans71.1120.7148.7-73148.915.900124.5
320H47.9Very low47.9Very low181 Ų181142.1 Ų142.184%0.83883%0.825SS**  trans-67.3158.4141.5-82.5-92.1000112.4
321P63.8Low47.9Very low117 Ų117142.9 Ų142.976%0.7682%0.824SS**  trans-134.3172.7136.830-11.8000114.3
322P59.9Low48.2Very low128 Ų128135.6 Ų135.683%0.83182%0.818SS**  trans-106.8-175-136.542.3-39.6000116.6
323A44.3Very low48Very low95 Ų95137.7 Ų137.779%0.78583%0.826SS**  trans-61.2154.517700000115.9
324D59.7Low48.9Very low241 Ų241134.5 Ų134.5100%1.28982%0.819SS**  trans-130.70146.7-158.1-99.5000107.6

Retrieved 324 of 324 residues in 51.6 ms (Link to these results)