A0A096MBV1_POEFO Loading...

Spermatogenesis associated 22

AlphaFold DB , UniProt , Accession A0A096MBV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 381 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.7Very low38.1Very low240 Ų240189.4 Ų189.4100%1.18286%0.858SS**  0130.60-69.8-168.3-71.400110.2
2R36.1Very low38.5Very low258 Ų258181.6 Ų181.697%0.97485%0.852SS**  trans-174.7130.5140.2-108.8172.9177.2161.20.2108
3R35.5Very low38.7Very low231 Ų231178.5 Ų178.587%0.87285%0.854SS**  trans-96.2142.3176-158.7-178.6-170.9178.81.3108.3
4Q42.4Very low38.5Very low178 Ų178171.2 Ų171.283%0.83285%0.849SS**  trans-74.9155.8168.7-64.1168.7-2300109.9
5E35.5Very low38.8Very low174 Ų174174.5 Ų174.581%0.81385%0.85SS**  -160.2156.5127.6-108.2161.812900109.6
6Q40.7Very low39.9Very low176 Ų176173.3 Ų173.382%0.82285%0.847SS**  trans-135.8160.2177.6-74.6-170.8-6.500109.2
7Q34.3Very low40.5Very low175 Ų175170.3 Ų170.382%0.81884%0.844SS**  trans68162.8176.3-58.1-170.4-20.100114.2
8L34.6Very low40.9Very low123 Ų123169.9 Ų169.964%0.64485%0.845SS**  cis-141.71573.3-161.768.9000112.1
9E30.8Very low41.5Very low170 Ų170167.3 Ų167.379%0.79485%0.845SS**  trans69.3159.9148.2-104.5172.5-134.800123.3
10R44.1Very low42.2Very low236 Ų236167.4 Ų167.489%0.89185%0.846SS**  trans-164.3111.9-172.4-176.2-164.2-153.1176.89.2110.7
11P43.1Very low42.9Very low122 Ų122167.3 Ų167.379%0.79284%0.841SS**  trans-115172.6151.213.57000111.2
12A43.4Very low43Very low96 Ų96163.5 Ų163.579%0.79383%0.826SS**  trans-109139-167.400000114.3
13T41.4Very low43.9Very low142 Ų142158.4 Ų158.487%0.87181%0.813SS**  trans-156.6136.1145.28.50000109.3
14G35.8Very low44.9Very low76 Ų76158.5 Ų158.578%0.78481%0.813SS**  trans-163.777.6-17400000112.8
15Y43.1Very low45.7Very low221 Ų221160 Ų16087%0.86782%0.817SS**PPolyproline II helixtrans-86.8126.4168.7-79.4-89.9000109.9
16L55.3Low46.5Very low155 Ų155162.8 Ų162.881%0.81282%0.82SS**PPolyproline II helixtrans-92.4134.2166.4-69.6172.8000109.5L18L16-L18 PolarHBondContact O-N 3.31Å
17P49.8Very low47Very low122 Ų122162.1 Ų162.179%0.79282%0.822SS**PPolyproline II helixtrans-73.2116.7176.629.1-32.9000110.6
18L49.1Very low48.4Very low164 Ų164164.2 Ų164.286%0.85982%0.822SS**PPolyproline II helixtrans-80.9122171-69.3175000110.1L16 L20L16-L18 PolarHBondContact O-N 3.31Å; L18-L20 PolarHBondContact O-N 3.25Å
19S51.5Low49.6Very low120 Ų120165.5 Ų165.584%0.83983%0.828SS**  trans-65.8102.1-176.5-62.30000113.2F21S19-F21 PolarHBondContact O-N 3.37Å
20L55.8Low50.6Low168 Ų168162.6 Ų162.688%0.8882%0.824SS**  trans-69.370.9167.7-73.7171.7000111.9L18L18-L20 PolarHBondContact O-N 3.25Å
21F56.4Low50.9Low166 Ų166159.5 Ų159.573%0.72883%0.825SS**  trans-164.194.4152-113.8-73.5000111.8S19 Q23S19-F21 PolarHBondContact O-N 3.37Å; F21-Q23 HydrophobicContact CD1-CB 4.47Å; F21-Q23 HydrophobicContact CD1-CG 4.05Å; F21-Q23 HydrophobicContact CE1-CB 4.5Å; F21-Q23 HydrophobicContact CE1-CG 3.87Å
22N44.8Very low51.7Low161 Ų161163.4 Ų163.486%0.86183%0.829SS**  trans-132.651.4170.1-131.7-40000110.8R24N22-R24 VanDerWaalsContact C-N 3.35Å; N22-R24 PolarHBondContact O-N 3.06Å
23Q55.2Low51.6Low150 Ų150163.9 Ų163.970%0.70183%0.826SS**  trans-73.187.2176.5-70.1-166.37.900110.4F21 K25F21-Q23 HydrophobicContact CD1-CB 4.47Å; F21-Q23 HydrophobicContact CD1-CG 4.05Å; F21-Q23 HydrophobicContact CE1-CB 4.5Å; F21-Q23 HydrophobicContact CE1-CG 3.87Å; Q23-K25 PolarHBondContact O-N 3.41Å; Q23-K25 VanDerWaalsContact O-N 3.07Å
24R55.5Low52Low233 Ų233163.6 Ų163.688%0.87982%0.824SS**  trans-56114.5174.4-163.9175.7-170.9176.93.2109.6N22 R26N22-R24 VanDerWaalsContact C-N 3.35Å; N22-R24 PolarHBondContact O-N 3.06Å; R24-R26 PolarHBondContact O-N 3.49Å
25K59.5Low52.5Low211 Ų211165.4 Ų165.492%0.91782%0.822SS**  trans-54.894.6-168.2-161.9177.6-171.8179.70112.5Q23Q23-K25 PolarHBondContact O-N 3.41Å; Q23-K25 VanDerWaalsContact O-N 3.07Å
26R53.2Low52.3Low232 Ų232158.6 Ų158.688%0.87582%0.819SS**  trans-87134.2168.6-70.5-177.2179.4145-1.1109.3R24 R28R24-R26 PolarHBondContact O-N 3.49Å; R26-R28 PolarHBondContact O-N 3.07Å
27N49.6Very low51.9Low162 Ų162159.5 Ų159.587%0.86682%0.819SS**  trans-70.8122.1-179.2-157.4-5.1000109.7
28R63.3Low51.7Low219 Ų219159.7 Ų159.783%0.82681%0.814SS**  trans-92.5106.2-178.5-74.2-170.5178.9-165.91.1109.7R26R26-R28 PolarHBondContact O-N 3.07Å
29I60.8Low51.3Low149 Ų149161.2 Ų161.276%0.76482%0.816SS**  trans-69.3130.6166.3-56.8175.4000108L31I29-L31 PolarHBondContact O-N 2.81Å
30P51.3Low50.8Low109 Ų109164.2 Ų164.271%0.70881%0.814SS**  trans-68.8124.2174.6-17.931.6000111.1K32P30-K32 PolarHBondContact O-N 2.95Å
31L51.3Low49.8Very low172 Ų172166.2 Ų166.290%0.90182%0.816SS**  trans-73.996.2167.7-70.2174.4000109.2I29I29-L31 PolarHBondContact O-N 2.81Å
32K58.4Low48.8Very low204 Ų204163.8 Ų163.889%0.88782%0.82SS**  trans-129.194.8164.6-79.2-159.6175.4-168.80110.2P30P30-K32 PolarHBondContact O-N 2.95Å
33S43Very low48.5Very low105 Ų105162.1 Ų162.173%0.73482%0.818SS**  trans-137111.3163.652.70000107.3
34V50.2Low47.7Very low136 Ų136160.8 Ų160.882%0.82483%0.825SS**PPolyproline II helixtrans-67.9136167.2178.40000106.8G36V34-G36 PolarHBondContact O-N 3.39Å
35P44.7Very low46.7Very low114 Ų114157.6 Ų157.674%0.7482%0.821SS**PPolyproline II helixtrans-63.5122.9173.126.9-33.4000109.3
36G39.9Very low45.7Very low78 Ų78158 Ų15880%0.80482%0.818SS**PPolyproline II helixtrans-74.6131.2167.600000109.5V34V34-G36 PolarHBondContact O-N 3.39Å
37E45.7Very low44.9Very low174 Ų174154.6 Ų154.681%0.81381%0.814SS**PPolyproline II helixtrans-78.9149.5172.8-64.9171.1-15100110
38N46.4Very low44.1Very low127 Ų127150.3 Ų150.368%0.67980%0.801SS**  trans78.190.1177.4-43.2-77.4000117.3
39E40.3Very low42.7Very low196 Ų196146 Ų14692%0.91680%0.804SS**  trans-125.7119.2137.9-73.6-166.216000108.3
40F42Very low41.6Very low182 Ų182145.5 Ų145.580%0.79881%0.808SS**  trans-87.7141.3-179.3-86.3-107.8000110.7S42F40-S42 PolarHBondContact O-N 3.26Å
41F34.8Very low40.7Very low210 Ų210146.1 Ų146.192%0.92182%0.815SS**  trans-66.7123.7172.9-68.4-90.4000111
42S34.3Very low39.9Very low115 Ų115144.3 Ų144.380%0.80482%0.817SS**  trans-106.5120.6165.7-67.10000109.4F40F40-S42 PolarHBondContact O-N 3.26Å
43P40Very low38.7Very low127 Ų127139 Ų13983%0.82581%0.811SS**  trans-76.9138.9174.231.7-33000110.6
44S37Very low38.3Very low121 Ų121139.2 Ų139.285%0.84682%0.819SS**  trans-108.8134.6164.751.20000110
45E35.7Very low37.3Very low167 Ų167136 Ų13678%0.7881%0.814SS**  trans-82.2145.6-165.9-61.4171.5117.200112.9M47E45-M47 PolarHBondContact O-N 2.92Å
46Y37.1Very low36.8Very low219 Ų219137.8 Ų137.886%0.85982%0.823SS**  trans-93.595.1171.5-167.6-88.5000109.8A48Y46-A48 PolarHBondContact O-N 3.12Å
47M36.5Very low36.3Very low160 Ų160137.4 Ų137.479%0.78882%0.819SS**  trans-67.7111.7175.8-80.6-71.216900111E45E45-M47 PolarHBondContact O-N 2.92Å
48A33.5Very low36.5Very low73 Ų73135.1 Ų135.160%0.60382%0.819SS**  trans-100.8113.8175.200000110.6Y46 T50Y46-A48 PolarHBondContact O-N 3.12Å; A48-T50 PolarHBondContact O-N 3.14Å
49S35Very low35.8Very low128 Ų128134.9 Ų134.990%0.89583%0.827SS**  trans-68.7116.2177.9-550000111.8
50T36.5Very low35.4Very low138 Ų138129.4 Ų129.485%0.84782%0.815SS**  trans-129.9139.8164.955.30000110.7A48A48-T50 PolarHBondContact O-N 3.14Å
51S33.1Very low34.9Very low122 Ų122127 Ų12785%0.85382%0.816SS**  trans-120.9121.2-176.557.40000111.1
52S33.3Very low34.9Very low134 Ų134126.7 Ų126.794%0.93781%0.81SS**  trans-159.5171.8150.7-157.30000110.1
53A34.9Very low34.7Very low92 Ų92129.2 Ų129.276%0.7681%0.809SS**  trans-123.8180-161.900000114.8
54A32.8Very low34.2Very low110 Ų110127.3 Ų127.391%0.90980%0.798SS**  trans75144.4-175.400000115.8
55G30.8Very low34.2Very low70 Ų70132.6 Ų132.672%0.72280%0.801SS**  cis170.5136.6-9.500000113.1
56V32.7Very low34.2Very low151 Ų151132.5 Ų132.592%0.91580%0.8SS**  trans6.4115163.2-168.10000116.2
57G30.2Very low33.8Very low70 Ų70126.9 Ų126.972%0.72280%0.799SS**  103.317256.200000110.4
58P50.5Low33.8Very low126 Ų126123.8 Ų123.882%0.81879%0.793SS**  cis-137.6-168.5-18.343-25.1000114.8
59S30.9Very low33.5Very low121 Ų121126.4 Ų126.485%0.84680%0.797SS**  trans111.2155.8145.9-149.80000121.3
60A31.5Very low33.3Very low81 Ų81126.1 Ų126.167%0.66980%0.795SS**  trans66.8114.9-174.900000116.2
61T31.3Very low33.1Very low132 Ų132125.3 Ų125.381%0.8180%0.795SS**  65.6122.565.9-49.20000111.2
62Y35Very low33.6Very low204 Ų204125.2 Ų125.280%0.879%0.791SS**  cis-133.8-177.216.840.6-105.1000110.4
63E30Very low33.4Very low168 Ų168124.6 Ų124.679%0.78579%0.787SS**  cis-146.8-148.19.5-153.3167.7-116.200110.8
64C29.5Very low33.4Very low87 Ų87125.3 Ų125.359%0.58879%0.787SS**  trans-151.6142.2-178.2-171.40000114.6
65Y38Very low33.5Very low232 Ų232126.3 Ų126.391%0.9178%0.784SS**  trans-132.1130.5147.1-83.5-82000108.7
66Q34.8Very low33.4Very low164 Ų164131.5 Ų131.577%0.76679%0.789SS**  trans-123.4139.1-174.8-162.4-179.821.600110.1
67A29.6Very low33.3Very low101 Ų101128.8 Ų128.884%0.83578%0.777SS**  trans-140.9130.1166.500000108.5
68S34.8Very low33.5Very low96 Ų96134.3 Ų134.367%0.67178%0.783SS**  trans-68135.6-156.9-85.60000117.9
69D28.3Very low32.4Very low128 Ų128135.3 Ų135.368%0.68478%0.777SS**  46116.1120.7-44.5-53.1000120.2
70S30.6Very low32.2Very low121 Ų121142 Ų14285%0.84678%0.784SS**  -169.1145.3121.4-84.10000113.2
71S31.4Very low32.5Very low121 Ų121143.8 Ų143.885%0.84678%0.782SS**  trans-169165.7173.4-800000108.7
72P44.6Very low32.4Very low120 Ų120149.5 Ų149.578%0.77979%0.789SS**  cis-126175.1-8.840.2-26.9000113.3
73S30Very low32.3Very low122 Ų122149.8 Ų149.885%0.85380%0.795SS**  trans-172.4164.713747.40000113.7
74S33.6Very low32.3Very low106 Ų106145.5 Ų145.574%0.74180%0.795SS**  trans-63.2155.9-171.147.90000117.2
75P34.6Very low32.8Very low131 Ų131147.2 Ų147.285%0.85180%0.803SS**  trans-80.8143.8175.833.8-35.2000113.4
76Q29.7Very low32.9Very low180 Ų180142.5 Ų142.584%0.84180%0.8SS**  trans-140.5114.9169.9-176.2170.1-29.900114.4
77S29.5Very low32.8Very low93 Ų93141.3 Ų141.365%0.6580%0.795SS**  trans14112.2149.2-166.30000120.5
78H35.1Very low32.8Very low186 Ų186144.9 Ų144.986%0.86179%0.788SS**  trans-122.6110140.5-59.4-26.4000105.8
79Q27.6Very low32.7Very low147 Ų147145.1 Ų145.169%0.68780%0.796SS**  62.688.555.6-158.4-169.8120.800113.2N81Q79-N81 PolarHBondContact OE1-ND2 3.29Å
80W27.7Very low32.9Very low262 Ų262147.4 Ų147.499%0.99280%0.8SS**  trans-103.2129.9159.2-124.8-61.3000109.5
81N35.8Very low33.1Very low118 Ų118147.7 Ų147.763%0.63180%0.799SS**  trans-136.8109.8-170.3-132.1-31.2000110.1Q79Q79-N81 PolarHBondContact OE1-ND2 3.29Å
82R31.2Very low33.2Very low252 Ų252150.1 Ų150.195%0.95180%0.797SS**  trans-152133.2156.7-116.8174.1-151.5-107.21112.8
83K31.8Very low32.7Very low211 Ų211153.4 Ų153.492%0.91780%0.802SS**  trans-73153.7-168.7-52.9171.1180-178.90112.5
84G30.1Very low32.7Very low77 Ų77158 Ų15879%0.79480%0.802SS**  trans169.179.2165.800000114.6
85V39.3Very low32.6Very low123 Ų123156.2 Ų156.275%0.74580%0.8SS**  trans-132.4137.4175.3179.80000108.3E87V85-E87 HydrophobicContact CG1-CB 4.19Å
86P41.3Very low32.7Very low133 Ų133158.4 Ų158.486%0.86481%0.805SS**  -118.5161.5115.934.8-33.4000112.5
87E32Very low32.9Very low139 Ų139161.5 Ų161.565%0.6581%0.809SS**  trans-113.3-179.6-158.9-161-172.7156.100112.9V85V85-E87 HydrophobicContact CG1-CB 4.19Å
88Y30.1Very low33.3Very low176 Ų176161.7 Ų161.769%0.6982%0.815SS**  trans82.795.7166.5-69.5-81000120.6
89A31.7Very low33.6Very low101 Ų101157.2 Ų157.284%0.83581%0.811SS**  -144.1139.6123.800000109.7
90K34.3Very low34.4Very low176 Ų176156.3 Ų156.377%0.76582%0.818SS**PPolyproline II helixtrans-87.2147.3-176.6-62.6176.6-178176.50111.6Q92K90-Q92 PolarHBondContact O-N 3.19Å
91P34.3Very low34.9Very low127 Ų127146.8 Ų146.883%0.82580%0.8SS**PPolyproline II helixtrans-71123.4164.130.2-32.4000110.1
92Q32.6Very low35.2Very low173 Ų173147.8 Ų147.881%0.80881%0.813SS**PPolyproline II helixtrans-81.9118170.4-74.7-174.8-92.300110.5K90K90-Q92 PolarHBondContact O-N 3.19Å
93Q34.5Very low35.6Very low189 Ų189141.4 Ų141.488%0.88381%0.808SS**PPolyproline II helixtrans-75.1135.8159.1-65.7177.6-62.900109.3
94Y29.8Very low36.1Very low219 Ų219137.7 Ų137.786%0.85980%0.803SS**  trans-151.7145.3166.5-115.8-86.2000110.4
95G31.2Very low36.3Very low68 Ų68142.7 Ų142.770%0.70181%0.808SS**  trans94.471.116500000116.6R97G95-R97 PolarHBondContact O-N 2.69Å
96N37.5Very low36.4Very low177 Ų177147 Ų14795%0.94781%0.811SS**  trans-57.1128.1154.3-71.4-38.2000109.1
97R33.9Very low36.1Very low245 Ų245147.5 Ų147.593%0.92581%0.811SS**  trans-135.9117.2169.6-155.1173.3-160.3175.86.7110.5G95G95-R97 PolarHBondContact O-N 2.69Å
98A38.5Very low36.5Very low96 Ų96150.5 Ų150.579%0.79382%0.818SS**PPolyproline II helixtrans-67.1151.1-179.700000112
99A39.7Very low37.2Very low92 Ų92146.3 Ų146.376%0.7682%0.82SS**PPolyproline II helixtrans-69.4142.5175.300000111.3
100P45.1Very low37.9Very low129 Ų129147.8 Ų147.884%0.83882%0.821SS**PPolyproline II helixtrans-65.7132.3171-19.132.4000111.5
101G37.5Very low38.6Very low61 Ų61146.3 Ų146.363%0.62982%0.82SS**PPolyproline II helixtrans-71.7168.4171.800000113.3S103G101-S103 PolarHBondContact O-N 3.03Å
102P42.3Very low39Very low139 Ų139144.9 Ų144.990%0.90382%0.818SS**PPolyproline II helixtrans-65.2132.7-177.627.6-34.7000111.7
103S39.3Very low39.4Very low119 Ų119144.9 Ų144.983%0.83282%0.818SS**PPolyproline II helixtrans-87.2149.4179.655.10000112.7G101G101-S103 PolarHBondContact O-N 3.03Å
104T42.3Very low40.2Very low133 Ų133141.4 Ų141.482%0.81681%0.812SS**PPolyproline II helixtrans-58.6138-172.1-42.80000113.7R106T104-R106 PolarHBondContact O-N 3.43Å
105M35.5Very low40.4Very low181 Ų181140.7 Ų140.789%0.89281%0.809SS**PPolyproline II helixtrans-46.2127.9167.5-73.7-92.6-162.800111.6
106R41.1Very low41Very low215 Ų215145.2 Ų145.281%0.81181%0.809SS**  trans-89.8110.9164.2-79-168.7176.2-137.70.7109.9T104 Y108T104-R106 PolarHBondContact O-N 3.43Å; R106-Y108 HydrophobicContact CB-CE2 4.38Å; R106-Y108 WeakPolarHBondContact O-CD2 3.44Å; R106-Y108 PolarHBondContact O-N 2.92Å
107T34.7Very low40.9Very low142 Ų142141.7 Ų141.787%0.87181%0.805SS**PPolyproline II helixtrans-65124.9169.1-47.10000110.1
108Y40.9Very low40.8Very low203 Ų203133.9 Ų133.980%0.79680%0.801SS**PPolyproline II helixtrans-97.7123.9170.5-76-95.2000109.7R106R106-Y108 HydrophobicContact CB-CE2 4.38Å; R106-Y108 WeakPolarHBondContact O-CD2 3.44Å; R106-Y108 PolarHBondContact O-N 2.92Å
109A45.1Very low40.6Very low88 Ų88134.3 Ų134.373%0.72781%0.805SS**PPolyproline II helixtrans-83.8135.6171.100000110.2
110P46.2Very low40.5Very low131 Ų131139.8 Ų139.885%0.85181%0.811SS**PPolyproline II helixtrans-66.3136.2175.3-20.733.2000112.2
111I49.3Very low40Very low145 Ų145139.3 Ų139.374%0.74481%0.811SS**PPolyproline II helixtrans-82.1127.9172.6-65.5170.1000108.8
112A42.3Very low39.8Very low97 Ų97141.6 Ų141.680%0.80282%0.817SS**PPolyproline II helixtrans-77.6128.6174.600000111
113H41.3Very low39.5Very low173 Ų173144.2 Ų144.280%0.80182%0.82SS**PPolyproline II helixtrans-95.5139.3176.5-71.7-78.9000111.6
114P50.2Low39.2Very low116 Ų116145.3 Ų145.375%0.75382%0.822SS**PPolyproline II helixtrans-85.5158.3-179.934.4-35.3000113.1
115Y35.2Very low38.6Very low204 Ų204142.5 Ų142.580%0.882%0.819SS**  trans73.4130.6177.4-134.5-121.4000113.6
116K43Very low38.6Very low163 Ų163143.5 Ų143.571%0.70982%0.822SS**  cis-145157.37.1-158.7176.9-170.51560110.3
117A35.5Very low38.1Very low103 Ų103138.5 Ų138.585%0.85182%0.819SS**  trans-89.7158.1-175.300000114.3
118G32.3Very low37.9Very low82 Ų82136.7 Ų136.785%0.84581%0.813SS**  trans14571.9151.900000119.5
119A34.3Very low37.4Very low105 Ų105134.6 Ų134.687%0.86882%0.815SS**  trans-153.6157.5155.500000110.3
120K37.2Very low37.7Very low207 Ų207136 Ų13690%0.982%0.817SS**  trans-136.3121.7-171.2-59.7176.9-177177.30113.6
121S34.3Very low36.8Very low119 Ų119134.3 Ų134.383%0.83281%0.814SS**  trans164.5157.4152.853.70000108.1
122S34.2Very low35.9Very low109 Ų109136 Ų13676%0.76282%0.819SS**  cis-168.3134.2-25.145.40000106.3
123M35.2Very low35.2Very low193 Ų193139.1 Ų139.195%0.95182%0.817SS**  trans-77.9128.1-177.2-63.3176.179.900112.6
124T33.2Very low34.5Very low143 Ų143141 Ų14188%0.87782%0.817SS**  trans-153.2135.2152.9-47.90000110.8
125G29.9Very low33.4Very low74 Ų74141 Ų14176%0.76381%0.814SS**  trans90.2113.9150.700000119.3
126Q35Very low33.2Very low202 Ų202136.4 Ų136.494%0.94481%0.812SS**  trans-127.7127.4153.7-86.4-167.8-2100109.8
127S30.8Very low32.5Very low109 Ų109133.2 Ų133.276%0.76281%0.811SS**  trans-171.4100.3157.746.10000108.3
128S30.1Very low32.3Very low104 Ų104134.3 Ų134.373%0.72781%0.812SS**  70.388.183720000115.4
129N30.8Very low32.2Very low160 Ų160133.8 Ų133.886%0.85681%0.806SS**  43161.3126.6-64.52.6000122
130P51.3Low32.2Very low117 Ų117135.4 Ų135.476%0.7681%0.805SS**  cis-136.3-179.3-9.237.4-18.3000116.3
131A28.3Very low32.2Very low95 Ų95130.5 Ų130.579%0.78580%0.797SS**  trans64.8164.8153.700000118.5
132E29.7Very low33Very low181 Ų181131 Ų13185%0.84680%0.798SS**  cis-127.8147.5-7.6-67.5180120.100108.2
133Q28.2Very low32.9Very low163 Ų163129 Ų12976%0.76279%0.794SS**  52.4138.982.7-152173.7-7.200118.7
134W25.1Very low33.1Very low212 Ų212127.9 Ų127.980%0.80379%0.786SS**  trans83.7118.4-179.5-62.184.6000115.3
135V27.3Very low33.1Very low115 Ų115125.9 Ų125.970%0.69778%0.778SS**  cis97.5130.636.3172.90000112.7
136S31.2Very low33.4Very low108 Ų108129.3 Ų129.376%0.75577%0.774SS**  trans72.4155.8174.6-80.50000118.5
137S28.9Very low33.5Very low97 Ų97126 Ų12668%0.67876%0.762SS**  cis-171.4157.7-24.1-97.10000111.9
138S31.1Very low33.5Very low126 Ų126129.7 Ų129.788%0.88177%0.767SS**  trans65.7143.4152.456.20000122.8
139G30.2Very low33.9Very low70 Ų70133.4 Ų133.472%0.72277%0.772SS**  trans131.685.7171.100000113.5
140V33.7Very low35.2Very low140 Ų140131.8 Ų131.885%0.84877%0.77SS**  74.7126.469.51740000114.1
141S38.8Very low34.5Very low104 Ų104137.7 Ų137.773%0.72778%0.779SS**  cis-152.9-136.3-22.9-71.90000110.1
142P49.6Very low34.5Very low130 Ų130137 Ų13784%0.84478%0.781SS**  trans-137-173.1-135.940.8-16.1000119.2
143G33.3Very low34.8Very low67 Ų67135.8 Ų135.869%0.69178%0.781SS**  trans-168.8139.1158.900000109.9
144H38.3Very low34.9Very low168 Ų168137.6 Ų137.678%0.77879%0.786SS**  cis61.1139.745-81.1-100.8000113.8
145S33.6Very low35.3Very low102 Ų102134.4 Ų134.471%0.71379%0.785SS**  cis-177.21681.139.30000110.7
146Q35.6Very low36.3Very low145 Ų145134.2 Ų134.268%0.67879%0.786SS**  cis177.5131.8-23.3175.4174.2-18.100111.1
147I38.1Very low36.5Very low134 Ų134137.9 Ų137.969%0.68779%0.791SS**  trans57.6126.5160.8-65.7169.6000120.7
148Q31Very low36.7Very low185 Ų185139.1 Ų139.186%0.86480%0.8SS**  -170.1157.7123.2-121.5150.6105.600116.6
149H37.6Very low37Very low183 Ų183142.7 Ų142.785%0.84780%0.799SS**  trans-128.7160.7167.6-71.8-80.4000108.6
150P57.8Low37.8Very low125 Ų125145.1 Ų145.181%0.81280%0.802SS**  -153.9-164.896.540.2-19.6000116.1
151Y36.6Very low37.8Very low242 Ų242142.5 Ų142.595%0.94980%0.795SS**  trans-81.1163.3-168.3-70.7-101.5000117.3
152G29.3Very low37.5Very low80 Ų80145.7 Ų145.783%0.82580%0.799SS**  trans-163.9149.4160.900000112.8
153N35Very low37Very low156 Ų156148.4 Ų148.483%0.83480%0.8SS**  trans-152.1131.4-174176.916.8000112.2
154K31.2Very low37Very low201 Ų201149.4 Ų149.487%0.87480%0.802SS**  trans174.2152.8149.5-100.2159.4-174.7-179.70114.3
155N33.7Very low36.5Very low145 Ų145144.4 Ų144.478%0.77580%0.795SS**  trans-106.4177.2158.6-138.67.2000107.1
156P48.5Very low36.8Very low110 Ų110149.4 Ų149.471%0.71481%0.805SS**  cis-142.3160.61943.5-23.6000119.8
157Q34.6Very low36.8Very low185 Ų185146.6 Ų146.686%0.86480%0.801SS**  trans32.3121.4136.5-174.4174.9-32.600122.4
158S32.9Very low36.7Very low124 Ų124148.2 Ų148.287%0.86781%0.806SS**  trans-152.5153.9150.260.50000113.7
159K38.1Very low36.8Very low200 Ų200145.5 Ų145.587%0.8780%0.802SS**  trans-134-178.6177.6-115.1-176.6-177.3-179.80107.8
160P47.1Very low36.5Very low121 Ų121141.5 Ų141.579%0.78680%0.801SS**  cis-100.4-147.814.443.4-37.6000112.7
161A32.5Very low35.4Very low85 Ų85144.4 Ų144.470%0.70280%0.803SS**  cis-148.6168-0.400000109.5
162Q34.1Very low35.3Very low172 Ų172141.5 Ų141.580%0.80480%0.798SS**  cis97.588.39.6-69.7-74.740.800119.7
163H37.4Very low35.6Very low186 Ų186142.2 Ų142.286%0.86179%0.791SS**  trans-169.8121.3142.2-100.6-83.2000106.4
164A33.2Very low35.4Very low89 Ų89139.8 Ų139.874%0.73679%0.786SS**  80.6130.858.500000113.8
165G29.8Very low35.4Very low62 Ų62136.8 Ų136.864%0.63978%0.78SS**  cis164.8168.6-8.300000113.6
166F38.3Very low35.4Very low207 Ų207138.3 Ų138.391%0.90878%0.779SS**  trans68.2159.7165-58.3-71.8000118
167S35.8Very low34.6Very low87 Ų87140.1 Ų140.161%0.60878%0.779SS**  cis-162.7159.9-6.9-120.50000114.7
168Q36.4Very low34.2Very low168 Ų168137.5 Ų137.579%0.78578%0.775SS**  trans63.2114142-70.7175.623.900125.3
169T32.1Very low34.2Very low128 Ų128140 Ų14079%0.78577%0.771SS**  27.1131.1125.258.10000123.4
170A31.8Very low34.3Very low99 Ų99136.6 Ų136.682%0.81877%0.769SS**  167136.8104.500000116.7
171Q35.9Very low33.8Very low185 Ų185135.2 Ų135.286%0.86477%0.768SS**  trans3.4165.4156.6-78-178.8-18.800126.8
172Q34.6Very low33.7Very low181 Ų181141.9 Ų141.985%0.84678%0.775SS**  trans76.3161.7163.1-72.1-175.1-33.900119.2
173S33.8Very low33.7Very low96 Ų96141.2 Ų141.267%0.67177%0.772SS**  -180140.3-67.551.20000112.5
174S31.6Very low33.5Very low105 Ų105142.5 Ų142.573%0.73478%0.775SS**  trans158.9146.5132.257.90000116.2
175N31.9Very low33.5Very low138 Ų138142.4 Ų142.474%0.73877%0.769SS**  trans55.5145.3144.1-66.1-30.6000121.9
176K32.2Very low33.8Very low176 Ų176148.6 Ų148.677%0.76578%0.781SS**  cis-153.2171.65-127.8167.3-173.8179.50113.2
177Q32.8Very low33.7Very low149 Ų149147 Ų14770%0.69678%0.777SS**  trans-65.3164.4-170.5-63.3137.6-51.800114.9
178T26Very low33.7Very low130 Ų130148.6 Ų148.680%0.79879%0.788SS**  -167.7155.770.8-58.80000115.5
179F32.5Very low33.7Very low176 Ų176151.6 Ų151.677%0.77279%0.792SS**  trans-52171175.3-65.8-69000117.1
180P41.4Very low34.1Very low129 Ų129151.1 Ų151.184%0.83879%0.791SS**  cis-140.4-177.826.643.7-24.6000118.7
181A35Very low34.8Very low92 Ų92154 Ų15476%0.7679%0.792SS**  trans-121.7148-178.500000113.6
182R31.8Very low35.6Very low224 Ų224150.5 Ų150.585%0.84579%0.785SS**  trans-144.1122.9155.8-75.5-163.1178.6-131.70.3107.3
183Q34Very low36.7Very low158 Ų158147.4 Ų147.474%0.73878%0.781SS**  68.196.972.3-74.7-170.8-37.300114.7
184F32.9Very low37.5Very low214 Ų214148.9 Ų148.994%0.93979%0.788SS**  trans-155.8116.4134.1-82.4-67.5000105.7
185S33.3Very low38.2Very low87 Ų87153 Ų15361%0.60880%0.796SS**  104.767.961.8179.50000111.5
186Q36.7Very low39.1Very low191 Ų191150.6 Ų150.689%0.89380%0.795SS**  trans-76.2114.6158.4-75.2-79.823.600108.3
187Q36Very low40.2Very low175 Ų175147.9 Ų147.982%0.81880%0.795SS**  trans-91.3113.9176.3-78.2-170-10.700111.4
188S34.8Very low40.9Very low119 Ų119146.9 Ų146.983%0.83280%0.802SS**PPolyproline II helixtrans-67129.8169.1-53.10000111
189R35.7Very low41.4Very low232 Ų232146 Ų14688%0.87581%0.808SS**PPolyproline II helixtrans-87.4134165.8-176.3171.6-73.1-110.1-0.5109.4
190P41.2Very low42Very low118 Ų118141.2 Ų141.277%0.76681%0.808SS**PPolyproline II helixtrans-65.1152.4-178.5-23.434.5000114.2
191L46.7Very low42.1Very low160 Ų160141.6 Ų141.684%0.83881%0.807SS**PPolyproline II helixtrans-74.9151.8161.4-70.2166.2000110.2
192P52.2Low42.3Very low110 Ų110142.4 Ų142.471%0.71481%0.805SS**PPolyproline II helixtrans-67.4149.3167.130.7-34.6000110.8
193P57.9Low42.5Very low117 Ų117137.9 Ų137.976%0.7680%0.804SS**PPolyproline II helixtrans-70.5148.517630.4-34.9000111.5
194P50.2Low42.4Very low126 Ų126135.1 Ų135.182%0.81881%0.809SS**PPolyproline II helixtrans-71.2137.1170.530.4-33.6000110.9
195E46.2Very low42.5Very low192 Ų192136.5 Ų136.590%0.89781%0.808SS**PPolyproline II helixtrans-75.6136.9177.6-167.4169.9-177.700111
196A51.3Low42.9Very low88 Ų88137.3 Ų137.373%0.72782%0.819SS**PPolyproline II helixtrans-84.8133-176.100000111.5
197P55.8Low42.7Very low118 Ų118132.8 Ų132.877%0.76682%0.815SS**PPolyproline II helixtrans-71.5141.417729.7-34.4000111.3
198P46.8Very low42.8Very low129 Ų129133.1 Ų133.184%0.83882%0.816SS**PPolyproline II helixtrans-66.2136.1174.527.5-34000111.1
199A38.1Very low42.7Very low112 Ų112136.1 Ų136.193%0.92682%0.817SS**SBendtrans-73.4129.1179.700000111.5
200G43.4Very low42.7Very low74 Ų74129.9 Ų129.976%0.76381%0.807SS**  trans170.221.517900000118.8
201V44.4Very low42.6Very low137 Ų137130.8 Ų130.883%0.8381%0.81SS**  trans-136.1130.1178.6-171.20000110.8
202P38.7Very low41.9Very low110 Ų110131.1 Ų131.171%0.71481%0.805SS**PPolyproline II helixtrans-71.9157.1177.629.7-35.2000112.7
203P36.3Very low40.8Very low128 Ų128130.7 Ų130.783%0.83181%0.805SS**PPolyproline II helixtrans-70134.6-168.827.3-35.4000113.6
204A32.5Very low39.8Very low100 Ų100136.2 Ų136.283%0.82681%0.81SS**PPolyproline II helixtrans-67132.8171.400000111.1
205R34.4Very low38.9Very low244 Ų244135.6 Ų135.692%0.92180%0.804SS**PPolyproline II helixtrans-61144.1168.2-75.3-179.6171177.8-3.3109.8A207R205-A207 PolarHBondContact O-N 3.5Å
206A40.8Very low38.4Very low103 Ų103135.7 Ų135.785%0.85180%0.802SS**  trans-60.4103.5173.300000110.7Q208A206-Q208 PolarHBondContact O-N 3.21Å
207A34.2Very low37.4Very low96 Ų96137.1 Ų137.179%0.79380%0.802SS**PPolyproline II helixtrans-71.9116.9172.200000108.9R205R205-A207 PolarHBondContact O-N 3.5Å
208Q36.5Very low36.3Very low182 Ų182136.4 Ų136.485%0.8579%0.792SS**PPolyproline II helixtrans-58.4137.4176.3-66166.9-1600109.8A206 P210A206-Q208 PolarHBondContact O-N 3.21Å; Q208-P210 VanDerWaalsContact O-CD 3.27Å; Q208-P210 WeakPolarHBondContact O-CD 3.36Å
209Q33.8Very low35.7Very low182 Ų182135.4 Ų135.485%0.8579%0.788SS**PPolyproline II helixtrans-66.2120.2174-68.6-174-1.200109.4T211Q209-T211 PolarHBondContact O-N 2.82Å
210P36Very low35.9Very low101 Ų101137.8 Ų137.866%0.65678%0.778SS**  trans-73.7110.6172.129.4-31.7000108.8Q208 K212Q208-P210 VanDerWaalsContact O-CD 3.27Å; Q208-P210 WeakPolarHBondContact O-CD 3.36Å; P210-K212 VanDerWaalsContact C-N 3.27Å; P210-K212 PolarHBondContact O-N 2.95Å
211T37.8Very low35.4Very low137 Ų137143.1 Ų143.184%0.8478%0.783SS**  trans-65.286.6167.935.20000109.5Q209 S213Q209-T211 PolarHBondContact O-N 2.82Å; T211-S213 VanDerWaalsContact C-N 3.33Å; T211-S213 PolarHBondContact O-N 2.84Å
212K33.5Very low35Very low167 Ų167142.7 Ų142.773%0.72677%0.774SS**  trans-70.586.4179.2-69-174.6179.3-176.30110.9P210P210-K212 VanDerWaalsContact C-N 3.27Å; P210-K212 PolarHBondContact O-N 2.95Å
213S28.9Very low34.6Very low102 Ų102146.1 Ų146.171%0.71378%0.781SS**  trans-58.2132.5154.344.90000108.9T211 T215T211-S213 VanDerWaalsContact C-N 3.33Å; T211-S213 PolarHBondContact O-N 2.84Å; S213-T215 PolarHBondContact O-N 2.91Å
214W36.7Very low34.4Very low232 Ų232148.8 Ų148.888%0.87978%0.779SS**  trans-83.4110.8174.4-7188.5000108.8
215T31.6Very low34.3Very low113 Ų113148.5 Ų148.569%0.69377%0.772SS**  trans-96.5136.3166.846.80000109.6S213 T217S213-T215 PolarHBondContact O-N 2.91Å; T215-T217 PolarHBondContact O-N 2.84Å
216F33.9Very low34.1Very low195 Ų195144 Ų14486%0.85577%0.766SS**  trans-79.6105.4178.6-156.9-85000109.1N218F216-N218 VanDerWaalsContact C-N 3.32Å; F216-N218 PolarHBondContact O-N 3.07Å
217T32.2Very low33.6Very low118 Ų118148.1 Ų148.172%0.72477%0.765SS**  trans-73.785.6178.152.10000110.4T215 S219T215-T217 PolarHBondContact O-N 2.84Å; T217-S219 PolarHBondContact O-N 2.96Å
218N31.5Very low33.5Very low103 Ų103150.6 Ų150.655%0.55176%0.763SS**  trans-65.8110.5163.8-176.9-8.2000108.3F216 F220F216-N218 VanDerWaalsContact C-N 3.32Å; F216-N218 PolarHBondContact O-N 3.07Å; N218-F220 PolarHBondContact O-N 3.46Å
219S34.6Very low33.2Very low107 Ų107146.4 Ų146.475%0.74876%0.76SS**SBendtrans-7638.6-171.9-58.80000114.7T217T217-S219 PolarHBondContact O-N 2.96Å
220F43Very low33.3Very low163 Ų163147 Ų14772%0.71576%0.76SS**  trans-132.361.9172.9-66.9-70.5000110N218 I222N218-F220 PolarHBondContact O-N 3.46Å; F220-I222 PolarHBondContact O-N 2.6Å; F220-I222 VanDerWaalsContact O-N 3.13Å
221E32.3Very low33.2Very low185 Ų185152.3 Ų152.386%0.86477%0.772SS**  trans-70.3107177-166.6168.7-128.300110.1Q223E221-Q223 PolarHBondContact O-N 2.72Å
222I36.3Very low32.9Very low128 Ų128151.2 Ų151.266%0.65677%0.77SS**  trans-65107.1179.4-64.3170.3000108.8F220 K224F220-I222 PolarHBondContact O-N 2.6Å; F220-I222 VanDerWaalsContact O-N 3.13Å; I222-K224 PolarHBondContact O-N 2.77Å
223Q30Very low32.7Very low182 Ų182148.9 Ų148.985%0.8578%0.775SS**  trans-63.5100.9174.8-67.7-17119.100110.3E221 S225E221-Q223 PolarHBondContact O-N 2.72Å; Q223-S225 VanDerWaalsContact C-N 3.35Å; Q223-S225 PolarHBondContact O-N 3.47Å
224K31.5Very low32.8Very low184 Ų184151 Ų15180%0.878%0.779SS**  trans-70.192.2168.3-70.4-176.1178.7178.80109.1I222 N226I222-K224 PolarHBondContact O-N 2.77Å; K224-N226 PolarHBondContact O-N 3.26Å
225S31.6Very low32.8Very low95 Ų95149 Ų14966%0.66478%0.779SS**  trans-67.210217646.60000110.5Q223 F227Q223-S225 VanDerWaalsContact C-N 3.35Å; Q223-S225 PolarHBondContact O-N 3.47Å; S225-F227 VanDerWaalsContact C-N 3.3Å; S225-F227 PolarHBondContact O-N 3.09Å
226N29.2Very low33.5Very low149 Ų149149 Ų14980%0.79778%0.78SS**  trans-68.684.6174.8-74.9-30.6000110.6K224 I228K224-N226 PolarHBondContact O-N 3.26Å; N226-I228 PolarHBondContact O-N 3.42Å
227F29.8Very low33.8Very low189 Ų189145.2 Ų145.283%0.82978%0.776SS**  trans-70.4100.1173.9-113-87000110.4S225 A229S225-F227 VanDerWaalsContact C-N 3.3Å; S225-F227 PolarHBondContact O-N 3.09Å; F227-A229 VanDerWaalsContact C-N 3.34Å; F227-A229 PolarHBondContact O-N 2.84Å
228I32Very low33.6Very low148 Ų148145.9 Ų145.976%0.75978%0.78SS**  trans-73.487.4177-61174.4000109.4N226 K230N226-I228 PolarHBondContact O-N 3.42Å; I228-K230 HydrophobicContact CG2-CG 4.34Å; I228-K230 PolarHBondContact O-N 3.09Å; I228-K230 VanDerWaalsContact O-N 3.12Å
229A30.6Very low33.5Very low95 Ų95145.3 Ų145.379%0.78579%0.789SS**  trans-78.286.8172.700000110.9F227 K231F227-A229 VanDerWaalsContact C-N 3.34Å; F227-A229 PolarHBondContact O-N 2.84Å; A229-K231 PolarHBondContact O-N 3.27Å; A229-K231 VanDerWaalsContact O-N 3.14Å
230K36.2Very low33.6Very low194 Ų194150 Ų15084%0.84380%0.796SS**  trans-65.5109170.2-78-173.4176.7179.50111I228I228-K230 HydrophobicContact CG2-CG 4.34Å; I228-K230 PolarHBondContact O-N 3.09Å; I228-K230 VanDerWaalsContact O-N 3.12Å
231K33Very low33.7Very low213 Ų213147.5 Ų147.593%0.92680%0.796SS**  trans-135.4144.5150.2-77.3-165.9174.4-178.20110A229A229-K231 PolarHBondContact O-N 3.27Å; A229-K231 VanDerWaalsContact O-N 3.14Å
232S32.1Very low33.5Very low113 Ų113145.1 Ų145.179%0.7979%0.794SS**  trans-115.7138.9-176.9177.40000110.1
233S29.2Very low33.2Very low119 Ų119148.1 Ų148.183%0.83280%0.803SS**  trans-164.3173145.8-158.30000110
234N31.7Very low33.6Very low147 Ų147148.9 Ų148.979%0.78680%0.803SS**  trans-110.2163.5-159.1-76.8-37.3000116.5
235Q37Very low33.5Very low189 Ų189149.3 Ų149.388%0.88381%0.808SS**  trans83145.7159.1-78-166.1-15.700121.4
236P45Very low34Very low112 Ų112153.7 Ų153.773%0.72782%0.818SS**  trans-103.5177.3179.444.7-37.7000112.6
237P40.7Very low34.2Very low117 Ų117151.7 Ų151.776%0.7682%0.816SS**  -150.6157.992.540.3-22.8000117.9
238T28.7Very low34.9Very low131 Ų131148.7 Ų148.780%0.80481%0.813SS**  trans19.4121.9151.356.40000124
239A29.8Very low35.3Very low91 Ų91147.3 Ų147.375%0.75281%0.813SS**  96127.2115.100000124.2
240K35.3Very low35.9Very low206 Ų206146.9 Ų146.990%0.89681%0.81SS**  trans82.4154.1149.8-76.7-173.3175.7-178.70120.2
241P45.8Very low36.3Very low111 Ų111146.5 Ų146.572%0.72181%0.808SS**  trans-122.4150.2-152.740.5-26.6000116
242T27.8Very low36.8Very low134 Ų134144.9 Ų144.982%0.82280%0.804SS**  trans-176.5159.4152.714.70000106.6
243K30.1Very low37.3Very low191 Ų191144.9 Ų144.983%0.8380%0.801SS**  cis-136.6179.38.1-116.3152-174176.60109
244K37.8Very low38.5Very low199 Ų199142.9 Ų142.987%0.86578%0.78SS**  trans-67135.3164.1-62.5178.2178.2-177.10109.3
245E30.8Very low39.5Very low192 Ų192142.7 Ų142.790%0.89777%0.774SS**  trans-114.7129.5147.4-78.9-167.9140.700108.2S247E245-S247 PolarHBondContact O-N 3.3Å
246E42.2Very low40.4Very low187 Ų187140.3 Ų140.387%0.87477%0.768SS**  trans-8793.4-178.9-166161149.200107.8V248E246-V248 PolarHBondContact O-N 2.93Å
247S32.9Very low41.4Very low108 Ų108137.3 Ų137.376%0.75575%0.749SS**  trans-62.8105.5-175.459.10000110.4E245E245-S247 PolarHBondContact O-N 3.3Å
248V43.2Very low42.6Very low125 Ų125136.3 Ų136.376%0.75874%0.737SS**  trans-45.2126.9167.3177.30000108E246 A250E246-V248 PolarHBondContact O-N 2.93Å; V248-A250 PolarHBondContact O-N 3.34Å
249P41.9Very low45.3Very low119 Ų119133.6 Ų133.677%0.77371%0.712SS**  trans-64.8100.6178.225.9-33000108.1K251P249-K251 PolarHBondContact O-N 3.43Å; P249-K251 VanDerWaalsContact O-N 3.07Å
250A42Very low48.3Very low86 Ų86133.2 Ų133.271%0.71170%0.696SS**  trans-54.7119.4178.400000107.9V248 Q252V248-A250 PolarHBondContact O-N 3.34Å; A250-Q252 PolarHBondContact O-N 2.83Å
251K44.5Very low51.1Low187 Ų187124 Ų12481%0.81366%0.657SS**  trans-53.7106.8173.5-70.7-171.9177.4-172.40106.6P249 P253P249-K251 PolarHBondContact O-N 3.43Å; P249-K251 VanDerWaalsContact O-N 3.07Å; K251-P253 VanDerWaalsContact O-N 3.15Å
252Q45.4Very low53.6Low178 Ų178119.2 Ų119.283%0.83263%0.626SS**  trans-58.9124.9-179.2-72.3-168.7-17.900107A250 M254A250-Q252 PolarHBondContact O-N 2.83Å; Q252-M254 PolarHBondContact O-N 3.16Å
253P41.3Very low56.8Low114 Ų114113 Ų11374%0.7459%0.587SS**  trans-59.6114.6174.525.4-32.1000106K251 E255K251-P253 VanDerWaalsContact O-N 3.15Å; P253-E255 VanDerWaalsContact C-N 3.32Å; P253-E255 PolarHBondContact O-N 3.16Å
254M55.1Low60Low77 Ų77106.3 Ų106.338%0.37956%0.563SS.*  trans-66.298.2-177.6-179.1172.462.900107.3Q252 N256 R259 I278 L378Q252-M254 PolarHBondContact O-N 3.16Å; M254-N256 PolarHBondContact O-N 3.37Å; M254-R259 PolarHBondContact SD-NH2 3.35Å; M254-I278 HydrophobicContact CE-CD1 3.93Å; M254-I278 HydrophobicContact CE-CG1 3.55Å; M254-I278 HydrophobicContact SD-CD1 3.64Å; M254-I278 HydrophobicContact SD-CG1 3.88Å; M254-L378 HydrophobicContact CE-CD2 4.32Å
255E52.2Low62.8Low143 Ų14396.9 Ų96.967%0.66852%0.522SS*.  trans-55.3127.2-176.4-63.7-174.8162.400108.6P253 S257P253-E255 VanDerWaalsContact C-N 3.32Å; P253-E255 PolarHBondContact O-N 3.16Å; E255-S257 PolarHBondContact O-N 3.19Å
256N56.4Low65.9Low139 Ų13992.3 Ų92.374%0.74350%0.503SS*.  trans-73.232.8-176.5-70.1-38.8000112.6M254M254-N256 PolarHBondContact O-N 3.37Å
257S66.2Low68.3Low49 Ų4983.8 Ų83.834%0.34347%0.466SS..PPolyproline II helixtrans-66.9129.8173.4-168.30000109.6E255 R259E255-S257 PolarHBondContact O-N 3.19Å; S257-R259 PolarHBondContact O-N 3.33Å
258L65.8Low71.3Confident96 Ų9678.7 Ų78.750%0.50343%0.43SS..PPolyproline II helixtrans-65.4120.7179.6176.4142.9000109.4I260 L281L258-I260 HydrophobicContact CD2-CG1 4.46Å; L258-L281 HydrophobicContact CD1-CD1 4.47Å; L258-L281 HydrophobicContact CD1-CG 4.17Å; L258-L281 HydrophobicContact CD2-CB 4.49Å; L258-L281 HydrophobicContact CD2-CD1 3.79Å; L258-L281 HydrophobicContact CD2-CG 3.89Å; L258-L281 HydrophobicContact CG-CG 4.4Å
259R85.4Confident73.7Confident73 Ų7375.7 Ų75.728%0.27541%0.405SS..EExtended strand (participates in β ladder)trans-96.2136.5-179.3-83176.6-90.7-169.4-7.3110.8M254 S257 P279 Y280 L281 L374M254-R259 PolarHBondContact SD-NH2 3.35Å; S257-R259 PolarHBondContact O-N 3.33Å; R259-P279 PolarHBondContact N-O 2.87Å; R259-P279 VanDerWaalsContact N-O 3.13Å; R259-Y280 HydrophobicContact CB-CD1 3.74Å; R259-Y280 HydrophobicContact CB-CE1 3.87Å; R259-Y280 CarbonylContact O-C 3.6Å; R259-Y280 VanDerWaalsContact O-CA 3.31Å; R259-Y280 WeakPolarHBondContact O-CA 3.31Å; R259-L281 PolarHBondContact O-N 2.84Å; R259-L374 VanDerWaalsContact NH1-CD1 3.27Å
260I92.8Very high76.2Confident83 Ų8374.4 Ų74.443%0.42639%0.389SS..EExtended strand (participates in β ladder)trans-95.8120168.8-59.2176.3000107L258 L281 E283 V334L258-I260 HydrophobicContact CD2-CG1 4.46Å; I260-L281 CarbonylContact C-O 3.55Å; I260-L281 WeakPolarHBondContact CA-O 3.49Å; I260-L281 HydrophobicContact CG1-CB 4.39Å; I260-E283 HydrophobicContact CG2-CB 3.7Å; I260-V334 HydrophobicContact CG2-CG1 4.3Å
261L94.5Very high78.6Confident12 Ų1270.9 Ų70.96%0.06336%0.357CS..EExtended strand (participates in β ladder)trans-104.3115.7-179.8-171.676.1000110.7T263 W271 Y280 L281 F282 E283 M371L261-T263 HydrophobicContact CD2-CG2 4.47Å; L261-T263 PolarHBondContact O-N 3.28Å; L261-W271 HydrophobicContact CD2-CB 3.89Å; L261-W271 VanDerWaalsContact CD2-CD1 3.5Å; L261-W271 HydrophobicContact CD2-CG 3.79Å; L261-Y280 HydrophobicContact CB-CD1 4.5Å; L261-L281 PolarHBondContact N-O 2.89Å; L261-F282 HydrophobicContact CB-CD1 4.23Å; L261-F282 HydrophobicContact CD2-CD1 4.12Å; L261-F282 HydrophobicContact CD2-CE1 3.84Å; L261-E283 PolarHBondContact O-N 3.01Å; L261-M371 HydrophobicContact CD1-CG 3.32Å; L261-M371 HydrophobicContact CD1-SD 3.91Å; L261-M371 HydrophobicContact CD2-CG 3.72Å; L261-M371 HydrophobicContact CD2-SD 4.15Å; L261-M371 HydrophobicContact CG-CG 4.18Å
262T96.4Very high80.8Confident12 Ų1262.3 Ų62.37%0.07432%0.321CS..EExtended strand (participates in β ladder)trans-77.2118.4173.2-47.60000109.6E283 F285 A363 V364 S367T262-E283 CarbonylContact C-O 3.54Å; T262-E283 WeakPolarHBondContact CA-O 3.38Å; T262-E283 WeakPolarHBondContact CB-OE2 3.31Å; T262-E283 HydrophobicContact CG2-CG 4.45Å; T262-E283 WeakPolarHBondContact CG2-OE2 3.32Å; T262-E283 PolarHBondContact OG1-OE2 2.75Å; T262-F285 HydrophobicContact CG2-CD2 4.11Å; T262-F285 HydrophobicContact CG2-CE2 3.87Å; T262-A363 HydrophobicContact CG2-CB 3.78Å; T262-V364 HydrophobicContact CG2-CG2 4.14Å; T262-S367 PolarHBondContact N-OG 3.13Å; T262-S367 WeakPolarHBondContact O-CB 3.43Å; T262-S367 PolarHBondContact O-OG 2.85Å
263T95.9Very high82.9Confident2 Ų258.1 Ų58.11%0.01230%0.301CS..  trans-152.5167.1-176.6-163.90000113.1L261 G267 M268 F282 E283 I284 D368L261-T263 HydrophobicContact CD2-CG2 4.47Å; L261-T263 PolarHBondContact O-N 3.28Å; T263-G267 WeakPolarHBondContact OG1-CA 3.39Å; T263-M268 HydrophobicContact CG2-CB 3.71Å; T263-M268 VanDerWaalsContact CG2-N 3.35Å; T263-F282 HydrophobicContact CG2-CD1 3.87Å; T263-E283 PolarHBondContact N-O 2.75Å; T263-I284 WeakPolarHBondContact O-CG2 3.36Å; T263-D368 PolarHBondContact OG1-OD1 3.26Å
264V96.6Very high85Confident52 Ų5255.5 Ų55.532%0.31528%0.278SS..  trans-79.6163171.9-80.40000110.7N266 G267 M268 D306 V364V264-N266 VanDerWaalsContact C-N 3.28Å; V264-N266 PolarHBondContact O-N 3.13Å; V264-G267 WeakPolarHBondContact O-CA 3.44Å; V264-G267 PolarHBondContact O-N 3.28Å; V264-M268 PolarHBondContact O-N 3.07Å; V264-D306 WeakPolarHBondContact CA-OD2 3.26Å; V264-D306 WeakPolarHBondContact CB-OD2 3.42Å; V264-D306 WeakPolarHBondContact CG1-OD2 3.23Å; V264-V364 HydrophobicContact CG1-CG1 4.35Å; V264-V364 HydrophobicContact CG2-CG1 4.25Å
265I97Very high86Confident1 Ų154.8 Ų54.81%0.00527%0.273CS..Hα-helixtrans-56.9-42.7-176.2-69.5179000111.4R269 A286 D306 D309 L311I265-R269 WeakPolarHBondContact O-CG 3.47Å; I265-R269 PolarHBondContact O-N 2.92Å; I265-A286 HydrophobicContact CD1-CB 4.28Å; I265-D306 HydrophobicContact CB-CB 3.97Å; I265-D306 HydrophobicContact CD1-CB 3.49Å; I265-D306 VanDerWaalsContact CD1-CB 3.49Å; I265-D306 HydrophobicContact CG1-CB 3.65Å; I265-D306 PolarHBondContact N-OD2 2.76Å; I265-D309 HydrophobicContact CB-CB 4.07Å; I265-D309 HydrophobicContact CG2-CB 3.85Å; I265-L311 HydrophobicContact CD1-CB 3.8Å; I265-L311 HydrophobicContact CG1-CB 4.23Å; I265-L311 HydrophobicContact CG1-CD2 4.36Å; I265-L311 HydrophobicContact CG2-CB 3.99Å
266N95.5Very high87.2Confident95 Ų9555.5 Ų55.551%0.50828%0.282SS..Hα-helixtrans-69-34.7175.6-167.818.3000113V264 R269 H270V264-N266 VanDerWaalsContact C-N 3.28Å; V264-N266 PolarHBondContact O-N 3.13Å; N266-R269 WeakPolarHBondContact O-CB 3.15Å; N266-R269 PolarHBondContact O-N 3.06Å; N266-H270 PolarHBondContact O-N 3.43Å
267G94.1Very high88.1Confident9 Ų954.2 Ų54.29%0.09327%0.269CS..Hα-helixtrans-65.1-42.4176.700000112T263 V264 R269 H270 W271T263-G267 WeakPolarHBondContact OG1-CA 3.39Å; V264-G267 WeakPolarHBondContact O-CA 3.44Å; V264-G267 PolarHBondContact O-N 3.28Å; G267-R269 VanDerWaalsContact C-N 3.34Å; G267-R269 PolarHBondContact O-N 3.44Å; G267-H270 PolarHBondContact O-N 2.71Å; G267-H270 VanDerWaalsContact O-N 3.14Å; G267-W271 WeakPolarHBondContact O-CB 3.29Å; G267-W271 PolarHBondContact O-N 2.9Å
268M94.3Very high88.4Confident0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-56.1-46.9171.4178.6-169.769.600111.6T263 V264 H270 W271 S272 F282 I284 L311 Y337 L344T263-M268 HydrophobicContact CG2-CB 3.71Å; T263-M268 VanDerWaalsContact CG2-N 3.35Å; V264-M268 PolarHBondContact O-N 3.07Å; M268-H270 VanDerWaalsContact C-N 3.33Å; M268-H270 PolarHBondContact O-N 2.95Å; M268-W271 PolarHBondContact O-N 3.04Å; M268-S272 VanDerWaalsContact O-CB 3.31Å; M268-S272 WeakPolarHBondContact O-CB 3.31Å; M268-S272 PolarHBondContact O-N 3Å; M268-F282 HydrophobicContact CB-CD1 4.11Å; M268-F282 HydrophobicContact CB-CE1 4.5Å; M268-F282 HydrophobicContact CB-CG 4.35Å; M268-F282 HydrophobicContact CG-CB 4Å; M268-F282 HydrophobicContact CG-CD1 3.76Å; M268-F282 HydrophobicContact CG-CD2 3.84Å; M268-F282 HydrophobicContact CG-CE1 4.17Å; M268-F282 HydrophobicContact CG-CE2 4.25Å; M268-F282 HydrophobicContact CG-CG 3.58Å; M268-F282 HydrophobicContact CG-CZ 4.39Å; M268-F282 HydrophobicContact SD-CB 4.24Å; M268-F282 HydrophobicContact SD-CG 4.36Å; M268-I284 HydrophobicContact SD-CG2 4.49Å; M268-L311 HydrophobicContact CE-CD1 3.62Å; M268-L311 HydrophobicContact CE-CD2 3.43Å; M268-L311 VanDerWaalsContact CE-CD2 3.43Å; M268-L311 HydrophobicContact CE-CG 4.13Å; M268-L311 HydrophobicContact SD-CD2 3.94Å; M268-Y337 HydrophobicContact CE-CD1 4.42Å; M268-Y337 HydrophobicContact CE-CD2 3.26Å; M268-Y337 HydrophobicContact CE-CE2 3.39Å; M268-Y337 HydrophobicContact CE-CG 3.82Å; M268-Y337 HydrophobicContact CG-CD1 4.12Å; M268-Y337 HydrophobicContact CG-CD2 4.27Å; M268-Y337 HydrophobicContact CG-CG 3.85Å; M268-Y337 HydrophobicContact SD-CD1 4.48Å; M268-Y337 HydrophobicContact SD-CD2 3.59Å; M268-Y337 VanDerWaalsContact SD-CD2 3.59Å; M268-Y337 HydrophobicContact SD-CE2 4.33Å; M268-Y337 HydrophobicContact SD-CG 3.67Å; M268-L344 HydrophobicContact SD-CD1 4.14Å
269R95.1Very high88.8Confident63 Ų6350 Ų5024%0.23825%0.246CC..Hα-helixtrans-59.2-44.4176-64.1165.7-177.7-84.92.8110.9I265 N266 G267 S272 V310 D342I265-R269 WeakPolarHBondContact O-CG 3.47Å; I265-R269 PolarHBondContact O-N 2.92Å; N266-R269 WeakPolarHBondContact O-CB 3.15Å; N266-R269 PolarHBondContact O-N 3.06Å; G267-R269 VanDerWaalsContact C-N 3.34Å; G267-R269 PolarHBondContact O-N 3.44Å; R269-S272 PolarHBondContact O-OG 2.77Å; R269-V310 PolarHBondContact NH2-O 3.43Å; R269-D342 IonicContact CZ-OD1 2.78Å; R269-D342 IonicContact CZ-OD2 3.86Å; R269-D342 IonicContact NH1-OD1 3.56Å; R269-D342 PolarHBondContact NH1-OD1 2.69Å; R269-D342 IonicContact NH1-OD2 3.49Å; R269-D342 PolarHBondContact NH1-OD2 2.94Å; R269-D342 VanDerWaalsContact NH2-CG 3.31Å; R269-D342 IonicContact NH2-OD1 2.68Å; R269-D342 PolarHBondContact NH2-OD1 2.75Å; R269-D342 IonicContact NH2-OD2 3.5Å; R269-D342 PolarHBondContact NH2-OD2 3.49Å
270H93.7Very high88.8Confident92 Ų9246.9 Ų46.943%0.42624%0.235SC..Hα-helixtrans-67.1-41.9178.5-17775.6000113.8N266 G267 M268 Q273N266-H270 PolarHBondContact O-N 3.43Å; G267-H270 PolarHBondContact O-N 2.71Å; G267-H270 VanDerWaalsContact O-N 3.14Å; M268-H270 VanDerWaalsContact C-N 3.33Å; M268-H270 PolarHBondContact O-N 2.95Å; H270-Q273 VanDerWaalsContact O-CG 3.29Å; H270-Q273 WeakPolarHBondContact O-CG 3.36Å; H270-Q273 PolarHBondContact O-NE2 3.32Å
271W92.4Very high88.8Confident11 Ų1144.3 Ų44.34%0.04222%0.222CC..Hα-helixtrans-80.4-22.6-177.7-65.2130.5000113.9L261 G267 M268 Q273 F274 F282 D368 M371 R372L261-W271 HydrophobicContact CD2-CB 3.89Å; L261-W271 VanDerWaalsContact CD2-CD1 3.5Å; L261-W271 HydrophobicContact CD2-CG 3.79Å; G267-W271 WeakPolarHBondContact O-CB 3.29Å; G267-W271 PolarHBondContact O-N 2.9Å; M268-W271 PolarHBondContact O-N 3.04Å; W271-Q273 PolarHBondContact O-N 3.26Å; W271-F274 AromaticContact CE3-CD2 3.9Å; W271-F274 HydrophobicContact CE3-CD2 3.9Å; W271-F274 AromaticContact CE3-CE2 3.84Å; W271-F274 HydrophobicContact CE3-CE2 3.84Å; W271-F274 HydrophobicContact CZ3-CD2 4.41Å; W271-F274 AromaticContact CZ3-CE2 3.97Å; W271-F274 HydrophobicContact CZ3-CE2 3.97Å; W271-F274 PolarHBondContact O-N 2.85Å; W271-F274 VanDerWaalsContact O-N 3.09Å; W271-F282 HydrophobicContact CB-CE1 3.97Å; W271-F282 HydrophobicContact CB-CZ 4.45Å; W271-D368 HydrophobicContact CZ2-CB 4.17Å; W271-D368 PolarHBondContact NE1-OD1 3.33Å; W271-M371 HydrophobicContact CB-CE 4.11Å; W271-M371 HydrophobicContact CD2-CB 3.75Å; W271-M371 HydrophobicContact CD2-CE 3.94Å; W271-M371 HydrophobicContact CD2-CG 4.08Å; W271-M371 HydrophobicContact CE3-CB 3.81Å; W271-M371 HydrophobicContact CE3-CE 3.67Å; W271-M371 HydrophobicContact CE3-CG 4.42Å; W271-M371 HydrophobicContact CG-CE 4.13Å; W271-M371 HydrophobicContact CG-CG 4.35Å; W271-M371 HydrophobicContact CH2-CB 3.85Å; W271-M371 HydrophobicContact CZ2-CB 3.73Å; W271-M371 HydrophobicContact CZ3-CB 3.87Å; W271-M371 HydrophobicContact CZ3-CE 4.49Å; W271-R372 HydrophobicContact CH2-CG 3.67Å; W271-R372 HydrophobicContact CZ2-CG 4.17Å
272S91.7Very high88.9Confident8 Ų843.8 Ų43.86%0.05622%0.219CC..G310 helixtrans-56.5-17.2175.272.80000114.7M268 R269 F274 K275M268-S272 VanDerWaalsContact O-CB 3.31Å; M268-S272 WeakPolarHBondContact O-CB 3.31Å; M268-S272 PolarHBondContact O-N 3Å; R269-S272 PolarHBondContact O-OG 2.77Å; S272-F274 VanDerWaalsContact C-N 3.26Å; S272-F274 PolarHBondContact O-N 2.95Å; S272-K275 VanDerWaalsContact O-CB 3.26Å; S272-K275 WeakPolarHBondContact O-CB 3.44Å; S272-K275 PolarHBondContact O-N 2.97Å
273Q88.2Confident89Confident89 Ų8944.3 Ų44.342%0.41622%0.221SC..G310 helixtrans-75.1-13.4-179.9-45.7-166.669.100113.4H270 W271 R339H270-Q273 VanDerWaalsContact O-CG 3.29Å; H270-Q273 WeakPolarHBondContact O-CG 3.36Å; H270-Q273 PolarHBondContact O-NE2 3.32Å; W271-Q273 PolarHBondContact O-N 3.26Å; Q273-R339 VanDerWaalsContact CD-NH2 3.35Å
274F85.3Confident89Confident59 Ų5944.3 Ų44.326%0.25922%0.22SC..G310 helixtrans-106.65.7179-56-84.6000112.8W271 S272 D276 K277 I278 A375W271-F274 AromaticContact CE3-CD2 3.9Å; W271-F274 HydrophobicContact CE3-CD2 3.9Å; W271-F274 AromaticContact CE3-CE2 3.84Å; W271-F274 HydrophobicContact CE3-CE2 3.84Å; W271-F274 HydrophobicContact CZ3-CD2 4.41Å; W271-F274 AromaticContact CZ3-CE2 3.97Å; W271-F274 HydrophobicContact CZ3-CE2 3.97Å; W271-F274 PolarHBondContact O-N 2.85Å; W271-F274 VanDerWaalsContact O-N 3.09Å; S272-F274 VanDerWaalsContact C-N 3.26Å; S272-F274 PolarHBondContact O-N 2.95Å; F274-D276 PolarHBondContact O-N 2.84Å; F274-K277 PolarHBondContact O-N 3.43Å; F274-I278 PolarHBondContact O-N 3.09Å; F274-A375 HydrophobicContact CD1-CB 4.44Å; F274-A375 HydrophobicContact CE1-CB 4Å; F274-A375 HydrophobicContact CZ-CB 4.1Å
275K77.3Confident89.1Confident63 Ų6343.5 Ų43.527%0.27421%0.212SC..THydrogen-bonded Turntrans-61.1-29.7-174.6-171.5-176.9-175.4-176.60113.5S272 K277 I278 N336 Y337S272-K275 VanDerWaalsContact O-CB 3.26Å; S272-K275 WeakPolarHBondContact O-CB 3.44Å; S272-K275 PolarHBondContact O-N 2.97Å; K275-K277 PolarHBondContact O-N 3.45Å; K275-I278 CarbonylContact C-O 3.53Å; K275-I278 CarbonylContact O-C 3.47Å; K275-N336 VanDerWaalsContact CE-OD1 3.29Å; K275-N336 WeakPolarHBondContact CE-OD1 3.1Å; K275-N336 PolarHBondContact NZ-OD1 2.87Å; K275-Y337 PolarHBondContact NZ-O 3.18Å
276D75.9Confident89.1Confident158 Ų15843.6 Ų43.685%0.84521%0.214SC*.THydrogen-bonded Turntrans-74.8-17178.6-47.5-49000112.4F274F274-D276 PolarHBondContact O-N 2.84Å
277K76.6Confident89.2Confident111 Ų11141.4 Ų41.448%0.48320%0.204SC..THydrogen-bonded Turntrans-94.5-29.4175.7-60.2-165179.2-1640113.1F274 K275 L378F274-K277 PolarHBondContact O-N 3.43Å; K275-K277 PolarHBondContact O-N 3.45Å; K277-L378 HydrophobicContact CB-CD1 3.92Å; K277-L378 HydrophobicContact CD-CB 3.99Å; K277-L378 HydrophobicContact CD-CD1 4.16Å; K277-L378 HydrophobicContact CD-CD2 4.35Å; K277-L378 HydrophobicContact CD-CG 4.42Å; K277-L378 PolarHBondContact NZ-O 3.1Å
278I72.3Confident89.4Confident2 Ų241.1 Ų41.11%0.0120%0.2CC..SBendtrans-144.7131.1-179.8-64.4167.1000110.1M254 F274 K275 Y280 L378M254-I278 HydrophobicContact CE-CD1 3.93Å; M254-I278 HydrophobicContact CE-CG1 3.55Å; M254-I278 HydrophobicContact SD-CD1 3.64Å; M254-I278 HydrophobicContact SD-CG1 3.88Å; F274-I278 PolarHBondContact O-N 3.09Å; K275-I278 CarbonylContact C-O 3.53Å; K275-I278 CarbonylContact O-C 3.47Å; I278-Y280 HydrophobicContact CB-CD2 4.3Å; I278-Y280 HydrophobicContact CB-CE1 4.39Å; I278-Y280 HydrophobicContact CB-CE2 3.56Å; I278-Y280 WeakPolarHBondContact CD1-OH 3.29Å; I278-Y280 HydrophobicContact CG2-CD1 4.21Å; I278-Y280 HydrophobicContact CG2-CD2 4.26Å; I278-Y280 HydrophobicContact CG2-CE1 3.63Å; I278-Y280 HydrophobicContact CG2-CE2 3.71Å; I278-Y280 HydrophobicContact CG2-CG 4.48Å; I278-Y280 WeakPolarHBondContact CG2-OH 3.49Å; I278-Y280 WeakPolarHBondContact O-CD2 3.5Å; I278-Y280 WeakPolarHBondContact O-CE2 3.39Å; I278-Y280 PolarHBondContact O-N 2.91Å; I278-L378 HydrophobicContact CD1-CD1 3.59Å; I278-L378 HydrophobicContact CG1-CD1 4.09Å
279P73.9Confident89.5Confident54 Ų5442.9 Ų42.935%0.35121%0.209SC..  trans-71.8114.1175.828.8-34.3000112.2R259R259-P279 PolarHBondContact N-O 2.87Å; R259-P279 VanDerWaalsContact N-O 3.13Å
280Y84.5Confident89.7Confident9 Ų941 Ų414%0.03521%0.206CC..EExtended strand (participates in β ladder)trans-115.3141.9176.4-62.2-70.4000113.2R259 L261 I278 M371R259-Y280 HydrophobicContact CB-CD1 3.74Å; R259-Y280 HydrophobicContact CB-CE1 3.87Å; R259-Y280 CarbonylContact O-C 3.6Å; R259-Y280 VanDerWaalsContact O-CA 3.31Å; R259-Y280 WeakPolarHBondContact O-CA 3.31Å; L261-Y280 HydrophobicContact CB-CD1 4.5Å; I278-Y280 HydrophobicContact CB-CD2 4.3Å; I278-Y280 HydrophobicContact CB-CE1 4.39Å; I278-Y280 HydrophobicContact CB-CE2 3.56Å; I278-Y280 WeakPolarHBondContact CD1-OH 3.29Å; I278-Y280 HydrophobicContact CG2-CD1 4.21Å; I278-Y280 HydrophobicContact CG2-CD2 4.26Å; I278-Y280 HydrophobicContact CG2-CE1 3.63Å; I278-Y280 HydrophobicContact CG2-CE2 3.71Å; I278-Y280 HydrophobicContact CG2-CG 4.48Å; I278-Y280 WeakPolarHBondContact CG2-OH 3.49Å; I278-Y280 WeakPolarHBondContact O-CD2 3.5Å; I278-Y280 WeakPolarHBondContact O-CE2 3.39Å; I278-Y280 PolarHBondContact O-N 2.91Å; Y280-M371 HydrophobicContact CE1-CE 4.45Å; Y280-M371 HydrophobicContact CE1-SD 3.71Å; Y280-M371 HydrophobicContact CE2-CE 3.82Å; Y280-M371 HydrophobicContact CE2-SD 4.15Å; Y280-M371 PolarHBondContact OH-SD 2.87Å
281L94.4Very high89.8Confident29 Ų2940.3 Ų40.315%0.15222%0.216CC..EExtended strand (participates in β ladder)trans-100.7152.6147.6-65.3177.6000108.8L258 R259 I260 L261 V334 G335 N336L258-L281 HydrophobicContact CD1-CD1 4.47Å; L258-L281 HydrophobicContact CD1-CG 4.17Å; L258-L281 HydrophobicContact CD2-CB 4.49Å; L258-L281 HydrophobicContact CD2-CD1 3.79Å; L258-L281 HydrophobicContact CD2-CG 3.89Å; L258-L281 HydrophobicContact CG-CG 4.4Å; R259-L281 PolarHBondContact O-N 2.84Å; I260-L281 CarbonylContact C-O 3.55Å; I260-L281 WeakPolarHBondContact CA-O 3.49Å; I260-L281 HydrophobicContact CG1-CB 4.39Å; L261-L281 PolarHBondContact N-O 2.89Å; L281-V334 HydrophobicContact CB-CG1 4.3Å; L281-V334 HydrophobicContact CD1-CG1 4.35Å; L281-G335 WeakPolarHBondContact CA-O 3.26Å; L281-N336 HydrophobicContact CD2-CB 3.84Å
282F96.4Very high90Very high0 Ų042.1 Ų42.10%023%0.228CC..EExtended strand (participates in β ladder)trans-104.6134.5175-62.8-82.7000110.1L261 T263 M268 W271 V334 G335 L344L261-F282 HydrophobicContact CB-CD1 4.23Å; L261-F282 HydrophobicContact CD2-CD1 4.12Å; L261-F282 HydrophobicContact CD2-CE1 3.84Å; T263-F282 HydrophobicContact CG2-CD1 3.87Å; M268-F282 HydrophobicContact CB-CD1 4.11Å; M268-F282 HydrophobicContact CB-CE1 4.5Å; M268-F282 HydrophobicContact CB-CG 4.35Å; M268-F282 HydrophobicContact CG-CB 4Å; M268-F282 HydrophobicContact CG-CD1 3.76Å; M268-F282 HydrophobicContact CG-CD2 3.84Å; M268-F282 HydrophobicContact CG-CE1 4.17Å; M268-F282 HydrophobicContact CG-CE2 4.25Å; M268-F282 HydrophobicContact CG-CG 3.58Å; M268-F282 HydrophobicContact CG-CZ 4.39Å; M268-F282 HydrophobicContact SD-CB 4.24Å; M268-F282 HydrophobicContact SD-CG 4.36Å; W271-F282 HydrophobicContact CB-CE1 3.97Å; W271-F282 HydrophobicContact CB-CZ 4.45Å; F282-V334 CarbonylContact O-C 3.59Å; F282-V334 VanDerWaalsContact O-CA 3.27Å; F282-V334 WeakPolarHBondContact O-CA 3.19Å; F282-G335 PolarHBondContact N-O 2.91Å; F282-G335 PolarHBondContact O-N 2.97Å; F282-L344 HydrophobicContact CB-CD1 4.49Å
283E97.4Very high90.2Very high24 Ų2445.7 Ų45.711%0.11225%0.25CS..EExtended strand (participates in β ladder)trans-103.6126.9165.7175.8-174.5-101.700108.4I260 L261 T262 T263 F285 R332 C333 V334I260-E283 HydrophobicContact CG2-CB 3.7Å; L261-E283 PolarHBondContact O-N 3.01Å; T262-E283 CarbonylContact C-O 3.54Å; T262-E283 WeakPolarHBondContact CA-O 3.38Å; T262-E283 WeakPolarHBondContact CB-OE2 3.31Å; T262-E283 HydrophobicContact CG2-CG 4.45Å; T262-E283 WeakPolarHBondContact CG2-OE2 3.32Å; T262-E283 PolarHBondContact OG1-OE2 2.75Å; T263-E283 PolarHBondContact N-O 2.75Å; E283-F285 HydrophobicContact CG-CE2 3.87Å; E283-F285 HydrophobicContact CG-CZ 4.28Å; E283-F285 WeakPolarHBondContact OE2-CE2 3.47Å; E283-R332 HydrophobicContact CG-CG 4.28Å; E283-R332 IonicContact OE1-CZ 3.19Å; E283-R332 IonicContact OE1-NE 3.07Å; E283-R332 PolarHBondContact OE1-NE 3.36Å; E283-R332 IonicContact OE1-NH2 2.75Å; E283-R332 PolarHBondContact OE1-NH2 3.39Å; E283-C333 WeakPolarHBondContact CA-O 3.42Å; E283-V334 HydrophobicContact CB-CG2 4.08Å; E283-V334 HydrophobicContact CG-CG2 4.09Å
284I97.3Very high90.5Very high1 Ų148.2 Ų48.21%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-129.5145.6178.663.5173.6000110.8T263 M268 L304 L311 R332 C333 L344T263-I284 WeakPolarHBondContact O-CG2 3.36Å; M268-I284 HydrophobicContact SD-CG2 4.49Å; I284-L304 HydrophobicContact CD1-CD1 3.65Å; I284-L304 HydrophobicContact CG1-CD1 4.27Å; I284-L311 HydrophobicContact CD1-CD2 3.44Å; I284-L311 VanDerWaalsContact CD1-CD2 3.44Å; I284-R332 WeakPolarHBondContact O-CA 3.38Å; I284-C333 HydrophobicContact CD1-CB 4.43Å; I284-C333 HydrophobicContact CG1-CB 3.95Å; I284-C333 PolarHBondContact N-O 3.23Å; I284-C333 PolarHBondContact O-N 3.07Å; I284-L344 HydrophobicContact CD1-CD2 3.52Å; I284-L344 HydrophobicContact CG1-CD2 3.95Å
285F97.4Very high90.8Very high35 Ų3547.1 Ų47.115%0.15427%0.271CS..EExtended strand (participates in β ladder)trans-118.6100.8174.8-68-83.9000108.6T262 E283 V330 H331 R332 A352 E356 A360T262-F285 HydrophobicContact CG2-CD2 4.11Å; T262-F285 HydrophobicContact CG2-CE2 3.87Å; E283-F285 HydrophobicContact CG-CE2 3.87Å; E283-F285 HydrophobicContact CG-CZ 4.28Å; E283-F285 WeakPolarHBondContact OE2-CE2 3.47Å; F285-V330 HydrophobicContact CB-CG1 4.26Å; F285-H331 WeakPolarHBondContact CA-O 3.44Å; F285-R332 HydrophobicContact CD1-CB 3.87Å; F285-R332 HydrophobicContact CD1-CG 4.13Å; F285-R332 HydrophobicContact CE1-CB 3.52Å; F285-R332 HydrophobicContact CE1-CG 3.47Å; F285-R332 VanDerWaalsContact CE1-CG 3.47Å; F285-R332 HydrophobicContact CZ-CB 4.31Å; F285-R332 HydrophobicContact CZ-CG 3.73Å; F285-A352 HydrophobicContact CD1-CB 3.77Å; F285-A352 HydrophobicContact CE1-CB 4.11Å; F285-E356 HydrophobicContact CD1-CB 4.47Å; F285-E356 HydrophobicContact CE1-CB 3.6Å; F285-E356 HydrophobicContact CE1-CG 4.25Å; F285-E356 HydrophobicContact CZ-CB 3.98Å; F285-E356 HydrophobicContact CZ-CG 4.4Å; F285-A360 HydrophobicContact CB-CB 4.13Å; F285-A360 HydrophobicContact CD2-CB 3.73Å; F285-A360 HydrophobicContact CE2-CB 4.31Å; F285-A360 HydrophobicContact CG-CB 3.95Å
286A97.6Very high91.3Very high4 Ų450.5 Ų50.53%0.03329%0.291CS..EExtended strand (participates in β ladder)trans-143156-171.400000111.9I265 L304 V330 H331I265-A286 HydrophobicContact CD1-CB 4.28Å; A286-L304 HydrophobicContact CB-CB 3.83Å; A286-L304 HydrophobicContact CB-CD1 4.26Å; A286-V330 WeakPolarHBondContact O-CA 3.44Å; A286-H331 PolarHBondContact N-O 3.24Å; A286-H331 PolarHBondContact O-N 2.91Å
287T97.9Very high91.9Very high49 Ų4953.3 Ų53.330%0.30129%0.292SS..EExtended strand (participates in β ladder)trans-80.1132.4-176.4-63.20000110.7D289 L304 R305T287-D289 PolarHBondContact O-N 3.07Å; T287-L304 CarbonylContact O-C 3.52Å; T287-L304 WeakPolarHBondContact O-CA 3.48Å; T287-R305 PolarHBondContact N-O 3.35Å; T287-R305 PolarHBondContact O-N 2.93Å
288L98Very high92.5Very high3 Ų350 Ų502%0.01629%0.289CS..EExtended strand (participates in β ladder)trans-68.8120.5175.1-171.679.6000110.7S290 F302 L304 L325 R327 G328 Q329L288-S290 WeakPolarHBondContact CD2-O 3.49Å; L288-S290 WeakPolarHBondContact CG-O 3.21Å; L288-F302 HydrophobicContact CD1-CB 3.96Å; L288-F302 HydrophobicContact CD1-CD2 3.51Å; L288-F302 HydrophobicContact CD1-CE2 4.33Å; L288-F302 HydrophobicContact CD1-CG 4.02Å; L288-L304 HydrophobicContact CB-CD2 4.4Å; L288-L304 HydrophobicContact CD1-CD2 3.96Å; L288-L325 HydrophobicContact CD1-CB 4.35Å; L288-L325 HydrophobicContact CD1-CD1 3.94Å; L288-L325 HydrophobicContact CD2-CB 3.54Å; L288-R327 WeakPolarHBondContact O-CA 3.43Å; L288-R327 VanDerWaalsContact O-CG 3.22Å; L288-R327 WeakPolarHBondContact O-CG 3.39Å; L288-G328 PolarHBondContact O-N 3.19Å; L288-Q329 PolarHBondContact N-O 2.75Å
289D97.5Very high93.6Very high36 Ų3650.2 Ų50.219%0.19329%0.291CS..  trans-111.8-8.7-177.1-163.721.3000114.1T287 L303 R305 R327T287-D289 PolarHBondContact O-N 3.07Å; D289-L303 PolarHBondContact N-O 3.14Å; D289-R305 HydrophobicContact CB-CB 4.02Å; D289-R305 IonicContact OD2-CZ 2.78Å; D289-R305 VanDerWaalsContact OD2-CZ 3.22Å; D289-R305 IonicContact OD2-NE 2.64Å; D289-R305 PolarHBondContact OD2-NE 2.8Å; D289-R305 IonicContact OD2-NH2 2.69Å; D289-R305 PolarHBondContact OD2-NH2 3.47Å; D289-R327 PolarHBondContact O-NE 3.39Å; D289-R327 PolarHBondContact O-NH2 2.99Å; D289-R327 IonicContact OD1-CZ 3.81Å; D289-R327 IonicContact OD1-NE 3.05Å; D289-R327 IonicContact OD1-NH2 2.65Å; D289-R327 PolarHBondContact OD1-NH2 3.12Å
290S97.3Very high94.7Very high25 Ų2549.5 Ų49.518%0.17528%0.282CS..SBendtrans-116.3166.1170.4780000112.7L288 F302 L303L288-S290 WeakPolarHBondContact CD2-O 3.49Å; L288-S290 WeakPolarHBondContact CG-O 3.21Å; S290-F302 VanDerWaalsContact OG-CA 3.29Å; S290-F302 WeakPolarHBondContact OG-CA 3.44Å; S290-L303 PolarHBondContact N-O 3.35Å; S290-L303 PolarHBondContact OG-N 2.91Å
291A95.9Very high95.3Very high76 Ų7650.2 Ų50.263%0.62829%0.289SS*.PPolyproline II helixtrans-67.2155.9151.900000109.4
292V97Very high95.4Very high49 Ų4949 Ų4930%0.29728%0.282SS..PPolyproline II helixtrans-75.5125170.2-178.60000108.6K300 S301 F302 L322 L325V292-K300 HydrophobicContact CG1-CB 3.75Å; V292-K300 HydrophobicContact CG1-CD 4.09Å; V292-K300 HydrophobicContact CG1-CG 3.99Å; V292-S301 WeakPolarHBondContact CA-O 3.05Å; V292-F302 HydrophobicContact CG2-CB 4.26Å; V292-L322 HydrophobicContact CG1-CD2 3.89Å; V292-L322 HydrophobicContact CG2-CD2 4.08Å; V292-L325 HydrophobicContact CG2-CB 4.16Å; V292-L325 HydrophobicContact CG2-CD1 3.8Å; V292-L325 HydrophobicContact CG2-CG 4.03Å
293T96.7Very high95.5Very high84 Ų8452 Ų5252%0.51530%0.298SS..EExtended strand (participates in β ladder)trans-102148.4173.256.80000110.6K300 S301T293-K300 WeakPolarHBondContact O-CA 3.31Å; T293-S301 PolarHBondContact N-O 2.81Å; T293-S301 PolarHBondContact O-N 2.91Å; T293-S301 PolarHBondContact OG1-O 2.87Å
294L94.8Very high95.6Very high141 Ų14150.9 Ų50.974%0.73829%0.293SS*.EExtended strand (participates in β ladder)trans-86.7135.4173.2-56-177.3000109.4K300L294-K300 HydrophobicContact CD2-CD 4.33Å; L294-K300 HydrophobicContact CD2-CG 3.89Å
295G90Very high95.6Very high36 Ų3655.1 Ų55.137%0.37131%0.309SS..  trans-114.9-172.8172.700000112.2A299G295-A299 PolarHBondContact N-O 3.41Å
296L88.8Confident95.4Very high135 Ų13555.9 Ų55.971%0.70731%0.314SS*.G310 helixtrans-62.5153.4175.7-57.5178.1000111.3G298 A299L296-G298 VanDerWaalsContact C-N 3.27Å; L296-G298 PolarHBondContact O-N 2.91Å; L296-A299 WeakPolarHBondContact O-CB 3.37Å; L296-A299 PolarHBondContact O-N 3.23Å
297Y89.3Confident95Very high217 Ų21758.6 Ų58.685%0.85134%0.343SS*.G310 helixtrans54.533.8174.2-47.5-73.3000115.3A299Y297-A299 PolarHBondContact O-N 3.31Å
298G89.3Confident94.5Very high41 Ų4165.5 Ų65.542%0.42337%0.369SS..G310 helixtrans73.513.9179.900000114.4L296 E317L296-G298 VanDerWaalsContact C-N 3.27Å; L296-G298 PolarHBondContact O-N 2.91Å; G298-E317 PolarHBondContact O-N 2.8Å
299A94.4Very high94.4Very high7 Ų768.3 Ų68.36%0.05838%0.384CS..EExtended strand (participates in β ladder)trans-63.3140.1171.300000111.1G295 L296 Y297 V314 F315 Y316G295-A299 PolarHBondContact N-O 3.41Å; L296-A299 WeakPolarHBondContact O-CB 3.37Å; L296-A299 PolarHBondContact O-N 3.23Å; Y297-A299 PolarHBondContact O-N 3.31Å; A299-V314 HydrophobicContact CB-CG1 4.04Å; A299-F315 CarbonylContact C-O 3.56Å; A299-F315 WeakPolarHBondContact CA-O 3.44Å; A299-Y316 HydrophobicContact CB-CD1 4Å; A299-Y316 HydrophobicContact CB-CE1 3.71Å
300K96.3Very high94.3Very high39 Ų3968.8 Ų68.817%0.1739%0.388CS..EExtended strand (participates in β ladder)trans-119.6112.3171.4-79.3-174.5170.2168.90109.5V292 T293 L294 V314 F315 E317 L322V292-K300 HydrophobicContact CG1-CB 3.75Å; V292-K300 HydrophobicContact CG1-CD 4.09Å; V292-K300 HydrophobicContact CG1-CG 3.99Å; T293-K300 WeakPolarHBondContact O-CA 3.31Å; L294-K300 HydrophobicContact CD2-CD 4.33Å; L294-K300 HydrophobicContact CD2-CG 3.89Å; K300-V314 WeakPolarHBondContact O-CA 3.34Å; K300-F315 PolarHBondContact N-O 3.27Å; K300-F315 PolarHBondContact O-N 3.42Å; K300-E317 HydrophobicContact CD-CG 3.98Å; K300-E317 WeakPolarHBondContact CE-OE1 3.46Å; K300-E317 WeakPolarHBondContact CE-OE2 3.36Å; K300-E317 HydrophobicContact CG-CG 4.44Å; K300-E317 IonicContact NZ-OE1 2.71Å; K300-E317 PolarHBondContact NZ-OE1 3.45Å; K300-E317 IonicContact NZ-OE2 3.5Å; K300-E317 PolarHBondContact NZ-OE2 2.87Å; K300-L322 HydrophobicContact CB-CD2 3.93Å; K300-L322 HydrophobicContact CD-CB 3.76Å; K300-L322 HydrophobicContact CD-CD2 3.75Å; K300-L322 HydrophobicContact CD-CG 4.42Å; K300-L322 HydrophobicContact CG-CD2 4.45Å
301S97.1Very high94.3Very high24 Ų2467.6 Ų67.617%0.16838%0.38CS..EExtended strand (participates in β ladder)trans-100139.6-177-64.20000110.7V292 T293 C313V292-S301 WeakPolarHBondContact CA-O 3.05Å; T293-S301 PolarHBondContact N-O 2.81Å; T293-S301 PolarHBondContact O-N 2.91Å; T293-S301 PolarHBondContact OG1-O 2.87Å; S301-C313 WeakPolarHBondContact CA-O 3.47Å
302F98.1Very high94.4Very high3 Ų368.2 Ų68.21%0.01337%0.369CS..EExtended strand (participates in β ladder)trans-155.9160.6174.856-86.3000112L288 S290 V292 L304 C313 F315 L322 L325 V349L288-F302 HydrophobicContact CD1-CB 3.96Å; L288-F302 HydrophobicContact CD1-CD2 3.51Å; L288-F302 HydrophobicContact CD1-CE2 4.33Å; L288-F302 HydrophobicContact CD1-CG 4.02Å; S290-F302 VanDerWaalsContact OG-CA 3.29Å; S290-F302 WeakPolarHBondContact OG-CA 3.44Å; V292-F302 HydrophobicContact CG2-CB 4.26Å; F302-L304 HydrophobicContact CD2-CD2 4.06Å; F302-L304 HydrophobicContact CD2-CG 4.16Å; F302-L304 HydrophobicContact CE2-CD1 4.27Å; F302-L304 HydrophobicContact CE2-CD2 3.97Å; F302-L304 HydrophobicContact CE2-CG 4Å; F302-C313 HydrophobicContact CD1-CB 4.35Å; F302-C313 HydrophobicContact CD2-CB 3.74Å; F302-C313 HydrophobicContact CE1-CB 4.02Å; F302-C313 HydrophobicContact CE2-CB 3.36Å; F302-C313 HydrophobicContact CG-CB 4.22Å; F302-C313 HydrophobicContact CZ-CB 3.52Å; F302-C313 PolarHBondContact N-O 3.39Å; F302-C313 PolarHBondContact O-N 2.84Å; F302-F315 HydrophobicContact CE1-CB 4.41Å; F302-L322 HydrophobicContact CE1-CD1 4.39Å; F302-L322 HydrophobicContact CE1-CD2 4.37Å; F302-L325 HydrophobicContact CD1-CD1 3.93Å; F302-L325 HydrophobicContact CD2-CD1 3.99Å; F302-L325 HydrophobicContact CE1-CD1 3.93Å; F302-L325 HydrophobicContact CE2-CD1 3.98Å; F302-L325 HydrophobicContact CG-CD1 3.97Å; F302-L325 HydrophobicContact CZ-CD1 3.95Å; F302-V349 HydrophobicContact CE1-CG2 4.39Å; F302-V349 HydrophobicContact CZ-CG1 4.09Å; F302-V349 HydrophobicContact CZ-CG2 3.84Å
303L98.2Very high94.5Very high64 Ų6465.9 Ų65.934%0.33536%0.355SS..EExtended strand (participates in β ladder)trans-104.5133.9176.9-56.7-177.5000110.9D289 S290 V310 L311 Q312D289-L303 PolarHBondContact N-O 3.14Å; S290-L303 PolarHBondContact N-O 3.35Å; S290-L303 PolarHBondContact OG-N 2.91Å; L303-V310 HydrophobicContact CB-CG1 4.13Å; L303-V310 HydrophobicContact CD1-CG1 4.26Å; L303-V310 HydrophobicContact CD2-CG1 4.38Å; L303-V310 HydrophobicContact CG-CG1 4.49Å; L303-L311 WeakPolarHBondContact CA-O 3.38Å; L303-Q312 HydrophobicContact CD2-CB 4.05Å; L303-Q312 HydrophobicContact CD2-CG 4.39Å
304L98.1Very high94.5Very high0 Ų062.4 Ų62.40%033%0.334CS..EExtended strand (participates in β ladder)trans-108.3151.1167.3-62.3178.8000110.3I284 A286 T287 L288 F302 V310 L311 C313 C333I284-L304 HydrophobicContact CD1-CD1 3.65Å; I284-L304 HydrophobicContact CG1-CD1 4.27Å; A286-L304 HydrophobicContact CB-CB 3.83Å; A286-L304 HydrophobicContact CB-CD1 4.26Å; T287-L304 CarbonylContact O-C 3.52Å; T287-L304 WeakPolarHBondContact O-CA 3.48Å; L288-L304 HydrophobicContact CB-CD2 4.4Å; L288-L304 HydrophobicContact CD1-CD2 3.96Å; F302-L304 HydrophobicContact CD2-CD2 4.06Å; F302-L304 HydrophobicContact CD2-CG 4.16Å; F302-L304 HydrophobicContact CE2-CD1 4.27Å; F302-L304 HydrophobicContact CE2-CD2 3.97Å; F302-L304 HydrophobicContact CE2-CG 4Å; L304-V310 CarbonylContact O-C 3.59Å; L304-V310 VanDerWaalsContact O-CA 3.31Å; L304-V310 WeakPolarHBondContact O-CA 3.46Å; L304-L311 PolarHBondContact N-O 3.32Å; L304-L311 PolarHBondContact O-N 3.36Å; L304-C313 WeakPolarHBondContact CD1-SG 3.41Å; L304-C333 HydrophobicContact CD1-CB 4.13Å
305R97.3Very high94.6Very high89 Ų8956.5 Ų56.534%0.33630%0.303SS..EExtended strand (participates in β ladder)trans-128.8135.6-179.9177.7179.9-68.6-76.4-3.3112T287 D289 G307 K308 D309T287-R305 PolarHBondContact N-O 3.35Å; T287-R305 PolarHBondContact O-N 2.93Å; D289-R305 HydrophobicContact CB-CB 4.02Å; D289-R305 IonicContact OD2-CZ 2.78Å; D289-R305 VanDerWaalsContact OD2-CZ 3.22Å; D289-R305 IonicContact OD2-NE 2.64Å; D289-R305 PolarHBondContact OD2-NE 2.8Å; D289-R305 IonicContact OD2-NH2 2.69Å; D289-R305 PolarHBondContact OD2-NH2 3.47Å; R305-G307 WeakPolarHBondContact CD-O 3.29Å; R305-G307 VanDerWaalsContact CG-O 3.3Å; R305-G307 WeakPolarHBondContact CG-O 3.27Å; R305-G307 PolarHBondContact NH1-O 2.8Å; R305-K308 PolarHBondContact NH1-O 2.97Å; R305-D309 VanDerWaalsContact CA-O 3.32Å; R305-D309 WeakPolarHBondContact CA-O 3.46Å
306D93.6Very high94.8Very high51 Ų5159.4 Ų59.427%0.27330%0.303SS..EExtended strand (participates in β ladder)trans-123.480.2175.5-173.7-1.8000107.6V264 I265 K308 D309V264-D306 WeakPolarHBondContact CA-OD2 3.26Å; V264-D306 WeakPolarHBondContact CB-OD2 3.42Å; V264-D306 WeakPolarHBondContact CG1-OD2 3.23Å; I265-D306 HydrophobicContact CB-CB 3.97Å; I265-D306 HydrophobicContact CD1-CB 3.49Å; I265-D306 VanDerWaalsContact CD1-CB 3.49Å; I265-D306 HydrophobicContact CG1-CB 3.65Å; I265-D306 PolarHBondContact N-OD2 2.76Å; D306-K308 PolarHBondContact O-N 2.89Å; D306-D309 PolarHBondContact N-O 3Å; D306-D309 PolarHBondContact O-N 2.78Å
307G88.9Confident94.9Very high62 Ų6256 Ų5664%0.63928%0.284SS*.THydrogen-bonded Turntrans58.6-97.4-170.600000113.1R305R305-G307 WeakPolarHBondContact CD-O 3.29Å; R305-G307 VanDerWaalsContact CG-O 3.3Å; R305-G307 WeakPolarHBondContact CG-O 3.27Å; R305-G307 PolarHBondContact NH1-O 2.8Å
308K87.6Confident94.6Very high193 Ų19352.1 Ų52.184%0.83928%0.277SS*.THydrogen-bonded Turntrans-82.1-39.8178.7-65.8-175.2-179.7-178.90112.2R305 D306R305-K308 PolarHBondContact NH1-O 2.97Å; D306-K308 PolarHBondContact O-N 2.89Å
309D95.6Very high94.4Very high62 Ų6258.9 Ų58.933%0.33230%0.298SS..EExtended strand (participates in β ladder)trans-77.3144.9-172.4-66.8-48.8000111.3I265 R305 D306I265-D309 HydrophobicContact CB-CB 4.07Å; I265-D309 HydrophobicContact CG2-CB 3.85Å; R305-D309 VanDerWaalsContact CA-O 3.32Å; R305-D309 WeakPolarHBondContact CA-O 3.46Å; D306-D309 PolarHBondContact N-O 3Å; D306-D309 PolarHBondContact O-N 2.78Å
310V96.9Very high94Very high46 Ų4665.5 Ų65.528%0.27933%0.328SS..EExtended strand (participates in β ladder)trans-123.6150.3175.7-179.60000108.5R269 L303 L304R269-V310 PolarHBondContact NH2-O 3.43Å; L303-V310 HydrophobicContact CB-CG1 4.13Å; L303-V310 HydrophobicContact CD1-CG1 4.26Å; L303-V310 HydrophobicContact CD2-CG1 4.38Å; L303-V310 HydrophobicContact CG-CG1 4.49Å; L304-V310 CarbonylContact O-C 3.59Å; L304-V310 VanDerWaalsContact O-CA 3.31Å; L304-V310 WeakPolarHBondContact O-CA 3.46Å
311L97.6Very high93.8Very high1 Ų168.5 Ų68.51%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-139.9132.3177.7174.560000110.6I265 M268 I284 L303 L304 Y337 L344I265-L311 HydrophobicContact CD1-CB 3.8Å; I265-L311 HydrophobicContact CG1-CB 4.23Å; I265-L311 HydrophobicContact CG1-CD2 4.36Å; I265-L311 HydrophobicContact CG2-CB 3.99Å; M268-L311 HydrophobicContact CE-CD1 3.62Å; M268-L311 HydrophobicContact CE-CD2 3.43Å; M268-L311 VanDerWaalsContact CE-CD2 3.43Å; M268-L311 HydrophobicContact CE-CG 4.13Å; M268-L311 HydrophobicContact SD-CD2 3.94Å; I284-L311 HydrophobicContact CD1-CD2 3.44Å; I284-L311 VanDerWaalsContact CD1-CD2 3.44Å; L303-L311 WeakPolarHBondContact CA-O 3.38Å; L304-L311 PolarHBondContact N-O 3.32Å; L304-L311 PolarHBondContact O-N 3.36Å; L311-Y337 HydrophobicContact CD1-CD2 4.34Å; L311-Y337 HydrophobicContact CD1-CE2 4.06Å; L311-L344 HydrophobicContact CD1-CB 4.47Å; L311-L344 HydrophobicContact CD2-CB 4Å; L311-L344 HydrophobicContact CD2-CD2 4.34Å; L311-L344 HydrophobicContact CG-CB 4.37Å
312Q97.9Very high93.6Very high88 Ų8868.1 Ų68.141%0.41135%0.347SS..EExtended strand (participates in β ladder)trans-78.6128.3168.1-176.7171-14.700110.4L303 V343 L344L303-Q312 HydrophobicContact CD2-CB 4.05Å; L303-Q312 HydrophobicContact CD2-CG 4.39Å; Q312-V343 HydrophobicContact CB-CG2 4.22Å; Q312-V343 HydrophobicContact CG-CG2 4.1Å; Q312-V343 WeakPolarHBondContact O-CA 3.41Å; Q312-L344 PolarHBondContact O-N 3.32Å
313C97.9Very high93.4Very high0 Ų071 Ų710%037%0.366CS..EExtended strand (participates in β ladder)trans-115.3141.3175-65.10000109.5S301 F302 L304 L344S301-C313 WeakPolarHBondContact CA-O 3.47Å; F302-C313 HydrophobicContact CD1-CB 4.35Å; F302-C313 HydrophobicContact CD2-CB 3.74Å; F302-C313 HydrophobicContact CE1-CB 4.02Å; F302-C313 HydrophobicContact CE2-CB 3.36Å; F302-C313 HydrophobicContact CG-CB 4.22Å; F302-C313 HydrophobicContact CZ-CB 3.52Å; F302-C313 PolarHBondContact N-O 3.39Å; F302-C313 PolarHBondContact O-N 2.84Å; L304-C313 WeakPolarHBondContact CD1-SG 3.41Å; C313-L344 WeakPolarHBondContact CA-O 3.36Å
314V97.3Very high93.1Very high12 Ų1278.8 Ų78.87%0.07339%0.391CS..EExtended strand (participates in β ladder)trans-131.6126.3175.3179.50000109.1A299 K300 Y316 V343 L344 I345 C346A299-V314 HydrophobicContact CB-CG1 4.04Å; K300-V314 WeakPolarHBondContact O-CA 3.34Å; V314-Y316 HydrophobicContact CG1-CD2 4.34Å; V314-Y316 HydrophobicContact CG1-CE2 3.77Å; V314-V343 HydrophobicContact CB-CG1 4.1Å; V314-V343 HydrophobicContact CG2-CG1 3.67Å; V314-L344 PolarHBondContact N-O 2.95Å; V314-I345 CarbonylContact O-C 3.59Å; V314-I345 WeakPolarHBondContact O-CA 3.42Å; V314-C346 PolarHBondContact O-N 3.05Å
315F96.8Very high93Very high17 Ų1779.7 Ų79.78%0.07540%0.396CS..EExtended strand (participates in β ladder)trans-117.1138.8174.7-179.1-92000109.6A299 K300 F302 E317 Q320 L322 C346 V349A299-F315 CarbonylContact C-O 3.56Å; A299-F315 WeakPolarHBondContact CA-O 3.44Å; K300-F315 PolarHBondContact N-O 3.27Å; K300-F315 PolarHBondContact O-N 3.42Å; F302-F315 HydrophobicContact CE1-CB 4.41Å; F315-E317 HydrophobicContact CD1-CG 4.14Å; F315-E317 HydrophobicContact CE1-CG 4.11Å; F315-Q320 WeakPolarHBondContact CE1-O 3.46Å; F315-L322 HydrophobicContact CB-CD1 3.93Å; F315-L322 HydrophobicContact CD1-CB 3.82Å; F315-L322 HydrophobicContact CD1-CD1 3.75Å; F315-L322 HydrophobicContact CD1-CG 4.34Å; F315-L322 HydrophobicContact CD2-CD1 4.16Å; F315-L322 HydrophobicContact CE1-CB 4Å; F315-L322 HydrophobicContact CE1-CD1 4.27Å; F315-L322 HydrophobicContact CG-CD1 3.68Å; F315-C346 HydrophobicContact CB-CB 4.22Å; F315-C346 HydrophobicContact CD2-CB 4.09Å; F315-C346 VanDerWaalsContact CD2-O 3.31Å; F315-C346 WeakPolarHBondContact CD2-O 3.29Å; F315-V349 HydrophobicContact CD2-CG2 3.94Å; F315-V349 HydrophobicContact CG-CG2 4.48Å
316Y94.9Very high93Very high96 Ų9678.9 Ų78.938%0.37640%0.398SS..EExtended strand (participates in β ladder)trans-106.5122.8178-68.7-90000110.3A299 V314 N318 I345A299-Y316 HydrophobicContact CB-CD1 4Å; A299-Y316 HydrophobicContact CB-CE1 3.71Å; V314-Y316 HydrophobicContact CG1-CD2 4.34Å; V314-Y316 HydrophobicContact CG1-CE2 3.77Å; Y316-N318 VanDerWaalsContact C-N 3.29Å; Y316-N318 PolarHBondContact O-N 3.49Å; Y316-I345 HydrophobicContact CD2-CG2 4.39Å; Y316-I345 HydrophobicContact CE2-CG2 4.2Å
317E89.9Confident93.1Very high65 Ų6584.4 Ų84.430%0.30441%0.414SS..  trans-79.874.7-179.5-61.5-161.2126.100112G298 K300 F315 P321 L322G298-E317 PolarHBondContact O-N 2.8Å; K300-E317 HydrophobicContact CD-CG 3.98Å; K300-E317 WeakPolarHBondContact CE-OE1 3.46Å; K300-E317 WeakPolarHBondContact CE-OE2 3.36Å; K300-E317 HydrophobicContact CG-CG 4.44Å; K300-E317 IonicContact NZ-OE1 2.71Å; K300-E317 PolarHBondContact NZ-OE1 3.45Å; K300-E317 IonicContact NZ-OE2 3.5Å; K300-E317 PolarHBondContact NZ-OE2 2.87Å; F315-E317 HydrophobicContact CD1-CG 4.14Å; F315-E317 HydrophobicContact CE1-CG 4.11Å; E317-P321 VanDerWaalsContact OE1-CA 3.27Å; E317-P321 WeakPolarHBondContact OE1-CA 3.42Å; E317-L322 PolarHBondContact OE1-N 2.84Å
318N83.9Confident93.5Very high134 Ų13484.1 Ų84.172%0.71741%0.412SS*.SBendtrans-85.3-83176.5-62.8-2.5000110.6Y316Y316-N318 VanDerWaalsContact C-N 3.29Å; Y316-N318 PolarHBondContact O-N 3.49Å
319E83.1Confident93.9Very high184 Ų18479.1 Ų79.186%0.8639%0.391SS*.SBendtrans-92.8-20.1-176.6-62.5-62.7144.400113.6
320Q86.1Confident94Very high146 Ų14678 Ų7868%0.68239%0.386SS*.SBendtrans-136.5132.6-175.7-64.2-1759.200110.3F315F315-Q320 WeakPolarHBondContact CE1-O 3.46Å
321P92Very high94Very high102 Ų10275.9 Ų75.966%0.66237%0.373SS*.PPolyproline II helixtrans-71.4145.2172.430.7-34.1000110.6E317E317-P321 VanDerWaalsContact OE1-CA 3.27Å; E317-P321 WeakPolarHBondContact OE1-CA 3.42Å
322L94Very high94Very high16 Ų1677.3 Ų77.38%0.08438%0.379CS..PPolyproline II helixtrans-61.5123.6171.8-174.376.2000108.9V292 K300 F302 F315 E317 L325 V349V292-L322 HydrophobicContact CG1-CD2 3.89Å; V292-L322 HydrophobicContact CG2-CD2 4.08Å; K300-L322 HydrophobicContact CB-CD2 3.93Å; K300-L322 HydrophobicContact CD-CB 3.76Å; K300-L322 HydrophobicContact CD-CD2 3.75Å; K300-L322 HydrophobicContact CD-CG 4.42Å; K300-L322 HydrophobicContact CG-CD2 4.45Å; F302-L322 HydrophobicContact CE1-CD1 4.39Å; F302-L322 HydrophobicContact CE1-CD2 4.37Å; F315-L322 HydrophobicContact CB-CD1 3.93Å; F315-L322 HydrophobicContact CD1-CB 3.82Å; F315-L322 HydrophobicContact CD1-CD1 3.75Å; F315-L322 HydrophobicContact CD1-CG 4.34Å; F315-L322 HydrophobicContact CD2-CD1 4.16Å; F315-L322 HydrophobicContact CE1-CB 4Å; F315-L322 HydrophobicContact CE1-CD1 4.27Å; F315-L322 HydrophobicContact CG-CD1 3.68Å; E317-L322 PolarHBondContact OE1-N 2.84Å; L322-L325 HydrophobicContact CD1-CD1 4.49Å; L322-L325 HydrophobicContact CD1-CD2 4.41Å; L322-L325 HydrophobicContact CD2-CD1 3.98Å; L322-L325 HydrophobicContact CD2-CG 4.1Å; L322-L325 HydrophobicContact CG-CD1 4.48Å; L322-L325 HydrophobicContact CG-CD2 4.35Å; L322-L325 HydrophobicContact CG-CG 4.33Å; L322-V349 HydrophobicContact CD1-CB 3.66Å; L322-V349 HydrophobicContact CD1-CG1 3.98Å; L322-V349 HydrophobicContact CD1-CG2 3.79Å
323P92.9Very high94Very high63 Ų6373.1 Ų73.141%0.40936%0.359SS..PPolyproline II helixtrans-61.7155.6175.325.9-33.7000110.7L325 V349P323-L325 HydrophobicContact CG-CD2 4.4Å; P323-L325 WeakPolarHBondContact O-CD2 3.46Å; P323-L325 PolarHBondContact O-N 2.93Å; P323-V349 VanDerWaalsContact CG-O 3.26Å; P323-V349 WeakPolarHBondContact CG-O 3.31Å
324R93.7Very high94Very high227 Ų22773.6 Ų73.686%0.85736%0.362SS*.  trans-61.5103-179.9-179.8-178.9176.1173.1-0.2110.8
325L95.9Very high93.9Very high20 Ų2073 Ų7311%0.10536%0.359CS..  trans-75.9145.6174.1-42.8-171.6000110.2L288 V292 F302 L322 P323 H331 V349L288-L325 HydrophobicContact CD1-CB 4.35Å; L288-L325 HydrophobicContact CD1-CD1 3.94Å; L288-L325 HydrophobicContact CD2-CB 3.54Å; V292-L325 HydrophobicContact CG2-CB 4.16Å; V292-L325 HydrophobicContact CG2-CD1 3.8Å; V292-L325 HydrophobicContact CG2-CG 4.03Å; F302-L325 HydrophobicContact CD1-CD1 3.93Å; F302-L325 HydrophobicContact CD2-CD1 3.99Å; F302-L325 HydrophobicContact CE1-CD1 3.93Å; F302-L325 HydrophobicContact CE2-CD1 3.98Å; F302-L325 HydrophobicContact CG-CD1 3.97Å; F302-L325 HydrophobicContact CZ-CD1 3.95Å; L322-L325 HydrophobicContact CD1-CD1 4.49Å; L322-L325 HydrophobicContact CD1-CD2 4.41Å; L322-L325 HydrophobicContact CD2-CD1 3.98Å; L322-L325 HydrophobicContact CD2-CG 4.1Å; L322-L325 HydrophobicContact CG-CD1 4.48Å; L322-L325 HydrophobicContact CG-CD2 4.35Å; L322-L325 HydrophobicContact CG-CG 4.33Å; P323-L325 HydrophobicContact CG-CD2 4.4Å; P323-L325 WeakPolarHBondContact O-CD2 3.46Å; P323-L325 PolarHBondContact O-N 2.93Å; L325-H331 WeakPolarHBondContact CA-NE2 3.49Å; L325-V349 HydrophobicContact CD1-CG1 4.07Å; L325-V349 HydrophobicContact CD2-CG1 3.52Å; L325-V349 HydrophobicContact CG-CG1 4.48Å
326I96Very high93.8Very high72 Ų7275.3 Ų75.337%0.36937%0.371SS..  trans-122.5122-177.9-58.6179000109.8G328 Q329 H331I326-G328 PolarHBondContact O-N 2.9Å; I326-Q329 HydrophobicContact CB-CG 4.1Å; I326-Q329 HydrophobicContact CG2-CG 4Å; I326-Q329 WeakPolarHBondContact O-CB 3.44Å; I326-Q329 PolarHBondContact O-N 3.44Å; I326-Q329 VanDerWaalsContact O-N 3.16Å; I326-H331 PolarHBondContact O-CE1 2.94Å
327R96.6Very high93.9Very high166 Ų16671 Ų7163%0.62636%0.355SS*.THydrogen-bonded Turntrans-60.7138.3-179.4-164.2-174.1177.8179.44.4110.3L288 D289 Q329L288-R327 WeakPolarHBondContact O-CA 3.43Å; L288-R327 VanDerWaalsContact O-CG 3.22Å; L288-R327 WeakPolarHBondContact O-CG 3.39Å; D289-R327 PolarHBondContact O-NE 3.39Å; D289-R327 PolarHBondContact O-NH2 2.99Å; D289-R327 IonicContact OD1-CZ 3.81Å; D289-R327 IonicContact OD1-NE 3.05Å; D289-R327 IonicContact OD1-NH2 2.65Å; D289-R327 PolarHBondContact OD1-NH2 3.12Å; R327-Q329 VanDerWaalsContact C-N 3.31Å
328G96.3Very high94.1Very high56 Ų5669.5 Ų69.558%0.57735%0.349SS*.THydrogen-bonded Turntrans83.5-4.6-176.200000115.1L288 I326L288-G328 PolarHBondContact O-N 3.19Å; I326-G328 PolarHBondContact O-N 2.9Å
329Q96.4Very high94.5Very high89 Ų8970 Ų7042%0.41634%0.341SS..SBendtrans-97147171.9-62.8-173.6-5.200111.9L288 I326 R327 H331L288-Q329 PolarHBondContact N-O 2.75Å; I326-Q329 HydrophobicContact CB-CG 4.1Å; I326-Q329 HydrophobicContact CG2-CG 4Å; I326-Q329 WeakPolarHBondContact O-CB 3.44Å; I326-Q329 PolarHBondContact O-N 3.44Å; I326-Q329 VanDerWaalsContact O-N 3.16Å; R327-Q329 VanDerWaalsContact C-N 3.31Å; Q329-H331 PolarHBondContact O-CE1 3.32Å; Q329-H331 PolarHBondContact O-ND1 3.26Å
330V97.5Very high95Very high37 Ų3766.2 Ų66.222%0.22433%0.334CS..EExtended strand (participates in β ladder)trans-74.2126.8173.9-174.90000109.9F285 A286 A352 Q357F285-V330 HydrophobicContact CB-CG1 4.26Å; A286-V330 WeakPolarHBondContact O-CA 3.44Å; V330-A352 HydrophobicContact CB-CB 4.38Å; V330-A352 HydrophobicContact CG1-CB 3.97Å; V330-A352 WeakPolarHBondContact O-CB 2.96Å; V330-A352 PolarHBondContact O-N 3.26Å; V330-Q357 HydrophobicContact CB-CG 4.21Å; V330-Q357 HydrophobicContact CG1-CG 4.14Å
331H97.8Very high95.4Very high2 Ų266.2 Ų66.21%0.00933%0.328CS..EExtended strand (participates in β ladder)trans-114.8141.7177.2-68.972.6000110.3F285 A286 L325 I326 Q329 R350F285-H331 WeakPolarHBondContact CA-O 3.44Å; A286-H331 PolarHBondContact N-O 3.24Å; A286-H331 PolarHBondContact O-N 2.91Å; L325-H331 WeakPolarHBondContact CA-NE2 3.49Å; I326-H331 PolarHBondContact O-CE1 2.94Å; Q329-H331 PolarHBondContact O-CE1 3.32Å; Q329-H331 PolarHBondContact O-ND1 3.26Å; H331-R350 CarbonylContact C-O 3.51Å; H331-R350 VanDerWaalsContact CA-O 3.3Å; H331-R350 WeakPolarHBondContact CA-O 3.42Å; H331-R350 WeakPolarHBondContact CB-O 3.27Å
332R97.6Very high95.6Very high32 Ų3263.9 Ų63.912%0.12131%0.31CS..EExtended strand (participates in β ladder)trans-89.6115.4168.3-177.6-176.6171.5-89.33.3108E283 I284 F285 V334 R350 A352E283-R332 HydrophobicContact CG-CG 4.28Å; E283-R332 IonicContact OE1-CZ 3.19Å; E283-R332 IonicContact OE1-NE 3.07Å; E283-R332 PolarHBondContact OE1-NE 3.36Å; E283-R332 IonicContact OE1-NH2 2.75Å; E283-R332 PolarHBondContact OE1-NH2 3.39Å; I284-R332 WeakPolarHBondContact O-CA 3.38Å; F285-R332 HydrophobicContact CD1-CB 3.87Å; F285-R332 HydrophobicContact CD1-CG 4.13Å; F285-R332 HydrophobicContact CE1-CB 3.52Å; F285-R332 HydrophobicContact CE1-CG 3.47Å; F285-R332 VanDerWaalsContact CE1-CG 3.47Å; F285-R332 HydrophobicContact CZ-CB 4.31Å; F285-R332 HydrophobicContact CZ-CG 3.73Å; R332-V334 VanDerWaalsContact CZ-CG2 3.48Å; R332-R350 HydrophobicContact CB-CG 4.1Å; R332-R350 PolarHBondContact N-O 3.45Å; R332-R350 PolarHBondContact O-N 2.87Å; R332-A352 HydrophobicContact CB-CB 4.28Å
333C97.4Very high95.8Very high0 Ų063.7 Ų63.70%031%0.309CS..EExtended strand (participates in β ladder)trans-115.4135.1174-61.40000109.5E283 I284 L304 L344 S348E283-C333 WeakPolarHBondContact CA-O 3.42Å; I284-C333 HydrophobicContact CD1-CB 4.43Å; I284-C333 HydrophobicContact CG1-CB 3.95Å; I284-C333 PolarHBondContact N-O 3.23Å; I284-C333 PolarHBondContact O-N 3.07Å; L304-C333 HydrophobicContact CD1-CB 4.13Å; C333-L344 HydrophobicContact CB-CD2 4.16Å; C333-S348 WeakPolarHBondContact CA-O 3.35Å
334V97.1Very high96Very high10 Ų1060.7 Ų60.76%0.06129%0.29CS..EExtended strand (participates in β ladder)trans-121.3127.7172.3-176.50000108.2I260 L281 F282 E283 R332 V347 S348I260-V334 HydrophobicContact CG2-CG1 4.3Å; L281-V334 HydrophobicContact CB-CG1 4.3Å; L281-V334 HydrophobicContact CD1-CG1 4.35Å; F282-V334 CarbonylContact O-C 3.59Å; F282-V334 VanDerWaalsContact O-CA 3.27Å; F282-V334 WeakPolarHBondContact O-CA 3.19Å; E283-V334 HydrophobicContact CB-CG2 4.08Å; E283-V334 HydrophobicContact CG-CG2 4.09Å; R332-V334 VanDerWaalsContact CZ-CG2 3.48Å; V334-V347 PolarHBondContact O-N 2.61Å; V334-S348 PolarHBondContact N-O 3.2Å; V334-S348 PolarHBondContact O-N 2.73Å
335G96.1Very high96.1Very high0 Ų052 Ų520%026%0.26CS..EExtended strand (participates in β ladder)trans-164.5173.1-174.400000115.5L281 F282 L344 I345L281-G335 WeakPolarHBondContact CA-O 3.26Å; F282-G335 PolarHBondContact N-O 2.91Å; F282-G335 PolarHBondContact O-N 2.97Å; G335-L344 VanDerWaalsContact C-CD1 3.44Å; G335-I345 CarbonylContact C-O 3.49Å; G335-I345 WeakPolarHBondContact CA-O 3.02Å
336N95.1Very high96.1Very high64 Ų6451.3 Ų51.334%0.34226%0.257SS..EExtended strand (participates in β ladder)trans-92.3114.3172.9-178.49.3000108.3K275 L281 I345K275-N336 VanDerWaalsContact CE-OD1 3.29Å; K275-N336 WeakPolarHBondContact CE-OD1 3.1Å; K275-N336 PolarHBondContact NZ-OD1 2.87Å; L281-N336 HydrophobicContact CD2-CB 3.84Å; N336-I345 PolarHBondContact N-O 2.87Å; N336-I345 WeakPolarHBondContact O-CB 3.18Å; N336-I345 PolarHBondContact O-N 3.38Å
337Y95.6Very high96.1Very high7 Ų752.7 Ų52.73%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-83.4128.7179.1174.6-108000111.3M268 K275 L311 R339 D342M268-Y337 HydrophobicContact CE-CD1 4.42Å; M268-Y337 HydrophobicContact CE-CD2 3.26Å; M268-Y337 HydrophobicContact CE-CE2 3.39Å; M268-Y337 HydrophobicContact CE-CG 3.82Å; M268-Y337 HydrophobicContact CG-CD1 4.12Å; M268-Y337 HydrophobicContact CG-CD2 4.27Å; M268-Y337 HydrophobicContact CG-CG 3.85Å; M268-Y337 HydrophobicContact SD-CD1 4.48Å; M268-Y337 HydrophobicContact SD-CD2 3.59Å; M268-Y337 VanDerWaalsContact SD-CD2 3.59Å; M268-Y337 HydrophobicContact SD-CE2 4.33Å; M268-Y337 HydrophobicContact SD-CG 3.67Å; K275-Y337 PolarHBondContact NZ-O 3.18Å; L311-Y337 HydrophobicContact CD1-CD2 4.34Å; L311-Y337 HydrophobicContact CD1-CE2 4.06Å; Y337-R339 HydrophobicContact CD1-CB 4.48Å; Y337-R339 HydrophobicContact CE1-CB 3.82Å; Y337-R339 HydrophobicContact CE1-CG 4.27Å; Y337-D342 PolarHBondContact OH-OD1 2.91Å
338D94.1Very high96Very high33 Ų3347 Ų4718%0.17625%0.254CS..EExtended strand (participates in β ladder)trans-102.3104.5173.8-175.2-11.9000109.9S340 R341 D342 V343D338-S340 PolarHBondContact O-N 2.93Å; D338-S340 WeakPolarHBondContact OD1-CB 3.21Å; D338-S340 PolarHBondContact OD1-N 2.82Å; D338-S340 PolarHBondContact OD1-OG 3.24Å; D338-S340 PolarHBondContact OD2-OG 2.93Å; D338-R341 PolarHBondContact O-N 2.96Å; D338-R341 IonicContact OD2-CZ 3.17Å; D338-R341 IonicContact OD2-NE 2.77Å; D338-R341 PolarHBondContact OD2-NE 2.76Å; D338-R341 IonicContact OD2-NH2 2.84Å; D338-R341 PolarHBondContact OD2-NH2 2.88Å; D338-D342 WeakPolarHBondContact O-CA 3.41Å; D338-D342 PolarHBondContact O-N 2.75Å; D338-V343 PolarHBondContact N-O 2.91Å; D338-V343 PolarHBondContact O-N 2.95Å
339R92.6Very high96Very high144 Ų14444.8 Ų44.854%0.54323%0.229SC..THydrogen-bonded Turntrans-64.4-25.6178.7-170.5-175.9-178.5-174.39113Q273 Y337Q273-R339 VanDerWaalsContact CD-NH2 3.35Å; Y337-R339 HydrophobicContact CD1-CB 4.48Å; Y337-R339 HydrophobicContact CE1-CB 3.82Å; Y337-R339 HydrophobicContact CE1-CG 4.27Å
340S93.9Very high96Very high104 Ų10445.1 Ų45.173%0.72723%0.227SC*.THydrogen-bonded Turntrans-73.4-29.4-177.571.80000112.8D338D338-S340 PolarHBondContact O-N 2.93Å; D338-S340 WeakPolarHBondContact OD1-CB 3.21Å; D338-S340 PolarHBondContact OD1-N 2.82Å; D338-S340 PolarHBondContact OD1-OG 3.24Å; D338-S340 PolarHBondContact OD2-OG 2.93Å
341R95.3Very high96Very high147 Ų14745.7 Ų45.756%0.55524%0.236SC*.THydrogen-bonded Turntrans-111.3-7.6-178.6-69.3-178.9-69.1164-2114.3D338 V343D338-R341 PolarHBondContact O-N 2.96Å; D338-R341 IonicContact OD2-CZ 3.17Å; D338-R341 IonicContact OD2-NE 2.77Å; D338-R341 PolarHBondContact OD2-NE 2.76Å; D338-R341 IonicContact OD2-NH2 2.84Å; D338-R341 PolarHBondContact OD2-NH2 2.88Å; R341-V343 HydrophobicContact CB-CB 4.43Å; R341-V343 HydrophobicContact CB-CG2 4.07Å
342D95.9Very high96Very high53 Ų5346 Ų4628%0.28324%0.238SC..THydrogen-bonded Turntrans56.146.4-170.3-167.516.7000113.2R269 Y337 D338R269-D342 IonicContact CZ-OD1 2.78Å; R269-D342 IonicContact CZ-OD2 3.86Å; R269-D342 IonicContact NH1-OD1 3.56Å; R269-D342 PolarHBondContact NH1-OD1 2.69Å; R269-D342 IonicContact NH1-OD2 3.49Å; R269-D342 PolarHBondContact NH1-OD2 2.94Å; R269-D342 VanDerWaalsContact NH2-CG 3.31Å; R269-D342 IonicContact NH2-OD1 2.68Å; R269-D342 PolarHBondContact NH2-OD1 2.75Å; R269-D342 IonicContact NH2-OD2 3.5Å; R269-D342 PolarHBondContact NH2-OD2 3.49Å; Y337-D342 PolarHBondContact OH-OD1 2.91Å; D338-D342 WeakPolarHBondContact O-CA 3.41Å; D338-D342 PolarHBondContact O-N 2.75Å
343V96.9Very high96Very high11 Ų1149.4 Ų49.47%0.06726%0.255CS..EExtended strand (participates in β ladder)trans-125.8128.8-176.9174.80000111Q312 V314 D338 R341 I345Q312-V343 HydrophobicContact CB-CG2 4.22Å; Q312-V343 HydrophobicContact CG-CG2 4.1Å; Q312-V343 WeakPolarHBondContact O-CA 3.41Å; V314-V343 HydrophobicContact CB-CG1 4.1Å; V314-V343 HydrophobicContact CG2-CG1 3.67Å; D338-V343 PolarHBondContact N-O 2.91Å; D338-V343 PolarHBondContact O-N 2.95Å; R341-V343 HydrophobicContact CB-CB 4.43Å; R341-V343 HydrophobicContact CB-CG2 4.07Å; V343-I345 HydrophobicContact CG1-CG1 4.32Å
344L97.4Very high95.9Very high0 Ų053.1 Ų53.10%028%0.28CS..EExtended strand (participates in β ladder)trans-84.8113.1162.8-175.767.7000109.7M268 F282 I284 L311 Q312 C313 V314 C333 G335 C346M268-L344 HydrophobicContact SD-CD1 4.14Å; F282-L344 HydrophobicContact CB-CD1 4.49Å; I284-L344 HydrophobicContact CD1-CD2 3.52Å; I284-L344 HydrophobicContact CG1-CD2 3.95Å; L311-L344 HydrophobicContact CD1-CB 4.47Å; L311-L344 HydrophobicContact CD2-CB 4Å; L311-L344 HydrophobicContact CD2-CD2 4.34Å; L311-L344 HydrophobicContact CG-CB 4.37Å; Q312-L344 PolarHBondContact O-N 3.32Å; C313-L344 WeakPolarHBondContact CA-O 3.36Å; V314-L344 PolarHBondContact N-O 2.95Å; C333-L344 HydrophobicContact CB-CD2 4.16Å; G335-L344 VanDerWaalsContact C-CD1 3.44Å; L344-C346 PolarHBondContact O-N 3.32Å
345I96.4Very high95.9Very high45 Ų4555.6 Ų55.623%0.23130%0.298CS..EExtended strand (participates in β ladder)trans-82.397.2171.7-54.4174.2000107.3V314 Y316 G335 N336 V343 V347V314-I345 CarbonylContact O-C 3.59Å; V314-I345 WeakPolarHBondContact O-CA 3.42Å; Y316-I345 HydrophobicContact CD2-CG2 4.39Å; Y316-I345 HydrophobicContact CE2-CG2 4.2Å; G335-I345 CarbonylContact C-O 3.49Å; G335-I345 WeakPolarHBondContact CA-O 3.02Å; N336-I345 PolarHBondContact N-O 2.87Å; N336-I345 WeakPolarHBondContact O-CB 3.18Å; N336-I345 PolarHBondContact O-N 3.38Å; V343-I345 HydrophobicContact CG1-CG1 4.32Å; I345-V347 PolarHBondContact O-N 2.86Å
346C96.4Very high95.9Very high6 Ų657.5 Ų57.54%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-72124.6-175.2-67.60000111.5V314 F315 L344 V349V314-C346 PolarHBondContact O-N 3.05Å; F315-C346 HydrophobicContact CB-CB 4.22Å; F315-C346 HydrophobicContact CD2-CB 4.09Å; F315-C346 VanDerWaalsContact CD2-O 3.31Å; F315-C346 WeakPolarHBondContact CD2-O 3.29Å; L344-C346 PolarHBondContact O-N 3.32Å; C346-V349 HydrophobicContact CB-CG2 3.6Å
347V94.8Very high95.9Very high101 Ų10158.5 Ų58.561%0.61231%0.309SS*.EExtended strand (participates in β ladder)trans-91.2-27.7169.6-177.10000110.3V334 I345V334-V347 PolarHBondContact O-N 2.61Å; I345-V347 PolarHBondContact O-N 2.86Å
348S95.1Very high95.9Very high47 Ų4767 Ų6733%0.32934%0.341SS..EExtended strand (participates in β ladder)trans-145.1137.7176-173.50000110.9C333 V334C333-S348 WeakPolarHBondContact CA-O 3.35Å; V334-S348 PolarHBondContact N-O 3.2Å; V334-S348 PolarHBondContact O-N 2.73Å
349V96.8Very high96Very high9 Ų969.6 Ų69.66%0.05536%0.355CS..EExtended strand (participates in β ladder)trans-136.9130.7176.1-177.40000108.6F302 F315 L322 P323 L325 C346F302-V349 HydrophobicContact CE1-CG2 4.39Å; F302-V349 HydrophobicContact CZ-CG1 4.09Å; F302-V349 HydrophobicContact CZ-CG2 3.84Å; F315-V349 HydrophobicContact CD2-CG2 3.94Å; F315-V349 HydrophobicContact CG-CG2 4.48Å; L322-V349 HydrophobicContact CD1-CB 3.66Å; L322-V349 HydrophobicContact CD1-CG1 3.98Å; L322-V349 HydrophobicContact CD1-CG2 3.79Å; P323-V349 VanDerWaalsContact CG-O 3.26Å; P323-V349 WeakPolarHBondContact CG-O 3.31Å; L325-V349 HydrophobicContact CD1-CG1 4.07Å; L325-V349 HydrophobicContact CD2-CG1 3.52Å; L325-V349 HydrophobicContact CG-CG1 4.48Å; C346-V349 HydrophobicContact CB-CG2 3.6Å
350R96.8Very high96.1Very high95 Ų9563.4 Ų63.436%0.35834%0.335SS..EExtended strand (participates in β ladder)trans-147.7162169.561.5169.5176.6-110.78.1111.5H331 R332 A352 E356H331-R350 CarbonylContact C-O 3.51Å; H331-R350 VanDerWaalsContact CA-O 3.3Å; H331-R350 WeakPolarHBondContact CA-O 3.42Å; H331-R350 WeakPolarHBondContact CB-O 3.27Å; R332-R350 HydrophobicContact CB-CG 4.1Å; R332-R350 PolarHBondContact N-O 3.45Å; R332-R350 PolarHBondContact O-N 2.87Å; R350-A352 PolarHBondContact O-N 2.96Å; R350-E356 IonicContact CZ-OE1 3.15Å; R350-E356 IonicContact NE-OE1 2.76Å; R350-E356 PolarHBondContact NE-OE1 3Å; R350-E356 IonicContact NE-OE2 2.91Å; R350-E356 IonicContact NH2-OE1 3.22Å; R350-E356 PolarHBondContact NH2-OE1 2.86Å
351A97.1Very high96.1Very high50 Ų5063.6 Ų63.641%0.41333%0.327SS..EExtended strand (participates in β ladder)trans-58.4134.5160.900000109.2
352A97.3Very high96.2Very high7 Ų761.4 Ų61.46%0.05832%0.323CS..PPolyproline II helixtrans-74.5134.9-178.800000110.5F285 V330 R332 R350 Q357F285-A352 HydrophobicContact CD1-CB 3.77Å; F285-A352 HydrophobicContact CE1-CB 4.11Å; V330-A352 HydrophobicContact CB-CB 4.38Å; V330-A352 HydrophobicContact CG1-CB 3.97Å; V330-A352 WeakPolarHBondContact O-CB 2.96Å; V330-A352 PolarHBondContact O-N 3.26Å; R332-A352 HydrophobicContact CB-CB 4.28Å; R350-A352 PolarHBondContact O-N 2.96Å; A352-Q357 HydrophobicContact CB-CG 3.63Å; A352-Q357 PolarHBondContact O-NE2 2.89Å
353Q96.8Very high96.2Very high104 Ų10460.5 Ų60.549%0.48632%0.323SS..PPolyproline II helixtrans-67.4147.7178.7-68.5-64.6-28.900111.4S355 E356 Q357Q353-S355 PolarHBondContact O-N 3.06Å; Q353-E356 HydrophobicContact CB-CB 4.21Å; Q353-E356 HydrophobicContact CB-CG 3.9Å; Q353-E356 PolarHBondContact N-OE2 2.9Å; Q353-E356 WeakPolarHBondContact O-CB 3.32Å; Q353-E356 PolarHBondContact O-N 2.65Å; Q353-Q357 WeakPolarHBondContact O-CG 3.38Å; Q353-Q357 PolarHBondContact O-N 3.06Å
354P96.8Very high96.2Very high79 Ų7960.7 Ų60.751%0.51332%0.324SS..Hα-helixtrans-60.5-18.3178.8-25.735.2000114.5R358P354-R358 VanDerWaalsContact O-CZ 3.32Å; P354-R358 PolarHBondContact O-NE 2.86Å; P354-R358 PolarHBondContact O-NH2 2.99Å
355S96.7Very high96.1Very high62 Ų6265.7 Ų65.743%0.43435%0.346SS..Hα-helixtrans-81-4717045.20000112.1Q353 Q357 R358 N359Q353-S355 PolarHBondContact O-N 3.06Å; S355-Q357 VanDerWaalsContact C-N 3.33Å; S355-Q357 PolarHBondContact O-N 2.87Å; S355-R358 PolarHBondContact O-N 2.8Å; S355-N359 PolarHBondContact O-N 2.71Å; S355-N359 PolarHBondContact O-OD1 3.43Å
356E95.7Very high96.1Very high39 Ų3967.4 Ų67.418%0.18236%0.358CS..Hα-helixtrans-54.5-48.8174.3-68.3172.915700110.8F285 R350 Q353 R358 N359 A360F285-E356 HydrophobicContact CD1-CB 4.47Å; F285-E356 HydrophobicContact CE1-CB 3.6Å; F285-E356 HydrophobicContact CE1-CG 4.25Å; F285-E356 HydrophobicContact CZ-CB 3.98Å; F285-E356 HydrophobicContact CZ-CG 4.4Å; R350-E356 IonicContact CZ-OE1 3.15Å; R350-E356 IonicContact NE-OE1 2.76Å; R350-E356 PolarHBondContact NE-OE1 3Å; R350-E356 IonicContact NE-OE2 2.91Å; R350-E356 IonicContact NH2-OE1 3.22Å; R350-E356 PolarHBondContact NH2-OE1 2.86Å; Q353-E356 HydrophobicContact CB-CB 4.21Å; Q353-E356 HydrophobicContact CB-CG 3.9Å; Q353-E356 PolarHBondContact N-OE2 2.9Å; Q353-E356 WeakPolarHBondContact O-CB 3.32Å; Q353-E356 PolarHBondContact O-N 2.65Å; E356-R358 VanDerWaalsContact C-N 3.3Å; E356-R358 PolarHBondContact O-N 3.17Å; E356-N359 PolarHBondContact O-N 3.45Å; E356-N359 VanDerWaalsContact O-N 3.13Å; E356-A360 WeakPolarHBondContact O-CB 3.38Å; E356-A360 PolarHBondContact O-N 2.82Å
357Q95.1Very high96Very high86 Ų8667.9 Ų67.940%0.40236%0.361SS..Hα-helixtrans-58.8-36.7179.8-66.3-179.537.200113.5V330 A352 Q353 S355V330-Q357 HydrophobicContact CB-CG 4.21Å; V330-Q357 HydrophobicContact CG1-CG 4.14Å; A352-Q357 HydrophobicContact CB-CG 3.63Å; A352-Q357 PolarHBondContact O-NE2 2.89Å; Q353-Q357 WeakPolarHBondContact O-CG 3.38Å; Q353-Q357 PolarHBondContact O-N 3.06Å; S355-Q357 VanDerWaalsContact C-N 3.33Å; S355-Q357 PolarHBondContact O-N 2.87Å
358R96.4Very high95.9Very high185 Ų18564.2 Ų64.270%0.69834%0.338SS*.Hα-helixtrans-74.5-34.2177.2-84.5176.5-74.7155.3-3112.7P354 S355 E356P354-R358 VanDerWaalsContact O-CZ 3.32Å; P354-R358 PolarHBondContact O-NE 2.86Å; P354-R358 PolarHBondContact O-NH2 2.99Å; S355-R358 PolarHBondContact O-N 2.8Å; E356-R358 VanDerWaalsContact C-N 3.3Å; E356-R358 PolarHBondContact O-N 3.17Å
359N96.1Very high95.9Very high88 Ų8864.2 Ų64.247%0.47134%0.342SS..Hα-helixtrans-88.7-16.8-176.9-66.79.3000112.9S355 E356 L361 E362 A363S355-N359 PolarHBondContact O-N 2.71Å; S355-N359 PolarHBondContact O-OD1 3.43Å; E356-N359 PolarHBondContact O-N 3.45Å; E356-N359 VanDerWaalsContact O-N 3.13Å; N359-L361 VanDerWaalsContact C-N 3.33Å; N359-L361 PolarHBondContact O-N 3.45Å; N359-E362 PolarHBondContact O-N 3Å; N359-E362 VanDerWaalsContact O-N 3.07Å; N359-A363 PolarHBondContact O-N 3.33Å
360A94.1Very high95.7Very high14 Ų1469.5 Ų69.512%0.11637%0.366CS..Hα-helixtrans-52-46.1-173.400000113F285 E356 E362 A363 V364F285-A360 HydrophobicContact CB-CB 4.13Å; F285-A360 HydrophobicContact CD2-CB 3.73Å; F285-A360 HydrophobicContact CE2-CB 4.31Å; F285-A360 HydrophobicContact CG-CB 3.95Å; E356-A360 WeakPolarHBondContact O-CB 3.38Å; E356-A360 PolarHBondContact O-N 2.82Å; A360-E362 VanDerWaalsContact C-N 3.32Å; A360-E362 PolarHBondContact O-N 3.17Å; A360-A363 WeakPolarHBondContact O-CB 3.21Å; A360-A363 PolarHBondContact O-N 3.07Å; A360-A363 VanDerWaalsContact O-N 3.17Å; A360-V364 WeakPolarHBondContact O-CG2 3.44Å; A360-V364 PolarHBondContact O-N 2.84Å
361L95Very high95.4Very high108 Ų10865.1 Ų65.157%0.56535%0.349SS*.Hα-helixtrans-61.3-37.5-179.4-177.161.7000113N359 K365N359-L361 VanDerWaalsContact C-N 3.33Å; N359-L361 PolarHBondContact O-N 3.45Å; L361-K365 WeakPolarHBondContact O-CG 3.3Å; L361-K365 PolarHBondContact O-N 2.68Å
362E96.9Very high95.1Very high100 Ų10068.9 Ų68.947%0.46735%0.353SS..Hα-helixtrans-74.5-36.7176-54.2-45.6122.100111.6N359 A360 V364 K365 V366N359-E362 PolarHBondContact O-N 3Å; N359-E362 VanDerWaalsContact O-N 3.07Å; A360-E362 VanDerWaalsContact C-N 3.32Å; A360-E362 PolarHBondContact O-N 3.17Å; E362-V364 VanDerWaalsContact C-N 3.33Å; E362-V364 PolarHBondContact O-N 2.84Å; E362-K365 PolarHBondContact O-N 2.87Å; E362-K365 IonicContact OE1-NZ 2.71Å; E362-K365 PolarHBondContact OE1-NZ 2.86Å; E362-K365 WeakPolarHBondContact OE2-CD 3.5Å; E362-K365 IonicContact OE2-NZ 2.76Å; E362-K365 PolarHBondContact OE2-NZ 3.02Å; E362-V366 WeakPolarHBondContact O-CG2 3.18Å; E362-V366 PolarHBondContact O-N 2.78Å
363A95.8Very high94.8Very high35 Ų3571 Ų7129%0.28937%0.37SS..Hα-helixtrans-61.6-39.4172.700000112.1T262 N359 A360 S367T262-A363 HydrophobicContact CG2-CB 3.78Å; N359-A363 PolarHBondContact O-N 3.33Å; A360-A363 WeakPolarHBondContact O-CB 3.21Å; A360-A363 PolarHBondContact O-N 3.07Å; A360-A363 VanDerWaalsContact O-N 3.17Å; A363-S367 WeakPolarHBondContact O-CB 3.34Å; A363-S367 PolarHBondContact O-N 3.25Å; A363-S367 PolarHBondContact O-OG 3.49Å
364V96.2Very high94.4Very high14 Ų1467.6 Ų67.69%0.08536%0.355CS..Hα-helixtrans-64-47172.2174.80000111.4T262 V264 A360 E362 V366 S367 D368T262-V364 HydrophobicContact CG2-CG2 4.14Å; V264-V364 HydrophobicContact CG1-CG1 4.35Å; V264-V364 HydrophobicContact CG2-CG1 4.25Å; A360-V364 WeakPolarHBondContact O-CG2 3.44Å; A360-V364 PolarHBondContact O-N 2.84Å; E362-V364 VanDerWaalsContact C-N 3.33Å; E362-V364 PolarHBondContact O-N 2.84Å; V364-V366 VanDerWaalsContact C-N 3.34Å; V364-V366 PolarHBondContact O-N 3.49Å; V364-S367 PolarHBondContact O-N 2.79Å; V364-D368 WeakPolarHBondContact O-CB 3.32Å; V364-D368 PolarHBondContact O-N 2.76Å
365K96.8Very high93.9Very high105 Ų10564.6 Ų64.646%0.45734%0.337SS..Hα-helixtrans-58-43.7178.7-76.4161.5170.5174.60112.8L361 E362 A369L361-K365 WeakPolarHBondContact O-CG 3.3Å; L361-K365 PolarHBondContact O-N 2.68Å; E362-K365 PolarHBondContact O-N 2.87Å; E362-K365 IonicContact OE1-NZ 2.71Å; E362-K365 PolarHBondContact OE1-NZ 2.86Å; E362-K365 WeakPolarHBondContact OE2-CD 3.5Å; E362-K365 IonicContact OE2-NZ 2.76Å; E362-K365 PolarHBondContact OE2-NZ 3.02Å; K365-A369 WeakPolarHBondContact O-CB 3.4Å; K365-A369 PolarHBondContact O-N 3.31Å; K365-A369 VanDerWaalsContact O-N 3.12Å
366V95.7Very high93.6Very high82 Ų8267.9 Ų67.950%0.49734%0.343SS..Hα-helixtrans-67.4-49.9177.3173.80000110.4E362 V364 D368 A369 E370E362-V366 WeakPolarHBondContact O-CG2 3.18Å; E362-V366 PolarHBondContact O-N 2.78Å; V364-V366 VanDerWaalsContact C-N 3.34Å; V364-V366 PolarHBondContact O-N 3.49Å; V366-D368 PolarHBondContact O-N 2.97Å; V366-A369 WeakPolarHBondContact O-CA 3.14Å; V366-A369 WeakPolarHBondContact O-CB 3.46Å; V366-A369 PolarHBondContact O-N 2.87Å; V366-E370 PolarHBondContact O-N 2.96Å
367S94Very high93.2Very high15 Ų1571.1 Ų71.111%0.10536%0.361CS..Hα-helixtrans-55.5-48.2178-65.70000112.4T262 A363 V364 A369 E370 M371T262-S367 PolarHBondContact N-OG 3.13Å; T262-S367 WeakPolarHBondContact O-CB 3.43Å; T262-S367 PolarHBondContact O-OG 2.85Å; A363-S367 WeakPolarHBondContact O-CB 3.34Å; A363-S367 PolarHBondContact O-N 3.25Å; A363-S367 PolarHBondContact O-OG 3.49Å; V364-S367 PolarHBondContact O-N 2.79Å; S367-A369 VanDerWaalsContact C-N 3.29Å; S367-A369 PolarHBondContact O-N 2.99Å; S367-E370 PolarHBondContact O-N 3.16Å; S367-M371 WeakPolarHBondContact O-CB 3.33Å; S367-M371 VanDerWaalsContact O-CG 3.29Å; S367-M371 WeakPolarHBondContact O-CG 3.3Å; S367-M371 PolarHBondContact O-N 3.36Å
368D93.6Very high92.6Very high24 Ų2468.7 Ų68.713%0.12835%0.351CS..Hα-helixtrans-66.6-29.1176.4-70.2-11.4000112.3T263 W271 V364 V366 R372T263-D368 PolarHBondContact OG1-OD1 3.26Å; W271-D368 HydrophobicContact CZ2-CB 4.17Å; W271-D368 PolarHBondContact NE1-OD1 3.33Å; V364-D368 WeakPolarHBondContact O-CB 3.32Å; V364-D368 PolarHBondContact O-N 2.76Å; V366-D368 PolarHBondContact O-N 2.97Å; D368-R372 VanDerWaalsContact CB-NH2 3.27Å; D368-R372 WeakPolarHBondContact O-CB 3.4Å; D368-R372 VanDerWaalsContact O-CG 3.23Å; D368-R372 WeakPolarHBondContact O-CG 3.49Å; D368-R372 PolarHBondContact O-N 2.99Å; D368-R372 PolarHBondContact O-NH1 2.78Å; D368-R372 IonicContact OD2-NH2 2.75Å
369A94.6Very high91.8Very high48 Ų4864 Ų6440%0.39735%0.346SS..Hα-helixtrans-71.8-44.3176.600000111.9K365 V366 S367 R372 A373K365-A369 WeakPolarHBondContact O-CB 3.4Å; K365-A369 PolarHBondContact O-N 3.31Å; K365-A369 VanDerWaalsContact O-N 3.12Å; V366-A369 WeakPolarHBondContact O-CA 3.14Å; V366-A369 WeakPolarHBondContact O-CB 3.46Å; V366-A369 PolarHBondContact O-N 2.87Å; S367-A369 VanDerWaalsContact C-N 3.29Å; S367-A369 PolarHBondContact O-N 2.99Å; A369-R372 PolarHBondContact O-N 2.83Å; A369-A373 PolarHBondContact O-N 3.22Å; A369-A373 VanDerWaalsContact O-N 3.1Å
370E91.3Very high90.4Very high119 Ų11967 Ų6756%0.55636%0.357SS*.Hα-helixtrans-62-43.9172.4-69-176.3-170.100111.2V366 S367 R372 A373 L374V366-E370 PolarHBondContact O-N 2.96Å; S367-E370 PolarHBondContact O-N 3.16Å; E370-R372 PolarHBondContact O-N 3.28Å; E370-A373 WeakPolarHBondContact O-CB 3.45Å; E370-A373 PolarHBondContact O-N 3.42Å; E370-A373 VanDerWaalsContact O-N 3.09Å; E370-L374 WeakPolarHBondContact O-CG 3.22Å; E370-L374 PolarHBondContact O-N 2.93Å
371M90.5Very high88.3Confident3 Ų373.7 Ų73.72%0.01540%0.396CS..Hα-helixtrans-61.5-40175.6-75.4-61.6-59.300113.3L261 W271 Y280 S367 A373 L374 A375L261-M371 HydrophobicContact CD1-CG 3.32Å; L261-M371 HydrophobicContact CD1-SD 3.91Å; L261-M371 HydrophobicContact CD2-CG 3.72Å; L261-M371 HydrophobicContact CD2-SD 4.15Å; L261-M371 HydrophobicContact CG-CG 4.18Å; W271-M371 HydrophobicContact CB-CE 4.11Å; W271-M371 HydrophobicContact CD2-CB 3.75Å; W271-M371 HydrophobicContact CD2-CE 3.94Å; W271-M371 HydrophobicContact CD2-CG 4.08Å; W271-M371 HydrophobicContact CE3-CB 3.81Å; W271-M371 HydrophobicContact CE3-CE 3.67Å; W271-M371 HydrophobicContact CE3-CG 4.42Å; W271-M371 HydrophobicContact CG-CE 4.13Å; W271-M371 HydrophobicContact CG-CG 4.35Å; W271-M371 HydrophobicContact CH2-CB 3.85Å; W271-M371 HydrophobicContact CZ2-CB 3.73Å; W271-M371 HydrophobicContact CZ3-CB 3.87Å; W271-M371 HydrophobicContact CZ3-CE 4.49Å; Y280-M371 HydrophobicContact CE1-CE 4.45Å; Y280-M371 HydrophobicContact CE1-SD 3.71Å; Y280-M371 HydrophobicContact CE2-CE 3.82Å; Y280-M371 HydrophobicContact CE2-SD 4.15Å; Y280-M371 PolarHBondContact OH-SD 2.87Å; S367-M371 WeakPolarHBondContact O-CB 3.33Å; S367-M371 VanDerWaalsContact O-CG 3.29Å; S367-M371 WeakPolarHBondContact O-CG 3.3Å; S367-M371 PolarHBondContact O-N 3.36Å; M371-A373 VanDerWaalsContact C-N 3.3Å; M371-A373 PolarHBondContact O-N 2.9Å; M371-L374 PolarHBondContact O-N 3.47Å; M371-L374 HydrophobicContact SD-CD1 4.26Å; M371-A375 WeakPolarHBondContact O-CB 3.48Å; M371-A375 PolarHBondContact O-N 3.03Å
372R92.2Very high88Confident130 Ų13072 Ų7249%0.49139%0.388SS..Hα-helixtrans-63.2-35.3172.9-74.9177.6-138.3107.6-1.6112.3W271 D368 A369 E370 K376W271-R372 HydrophobicContact CH2-CG 3.67Å; W271-R372 HydrophobicContact CZ2-CG 4.17Å; D368-R372 VanDerWaalsContact CB-NH2 3.27Å; D368-R372 WeakPolarHBondContact O-CB 3.4Å; D368-R372 VanDerWaalsContact O-CG 3.23Å; D368-R372 WeakPolarHBondContact O-CG 3.49Å; D368-R372 PolarHBondContact O-N 2.99Å; D368-R372 PolarHBondContact O-NH1 2.78Å; D368-R372 IonicContact OD2-NH2 2.75Å; A369-R372 PolarHBondContact O-N 2.83Å; E370-R372 PolarHBondContact O-N 3.28Å; R372-K376 WeakPolarHBondContact O-CG 3.44Å; R372-K376 PolarHBondContact O-N 3.49Å
373A90.9Very high87.5Confident50 Ų5070.5 Ų70.541%0.41338%0.384SS..Hα-helixtrans-70.9-46.1175.700000111.8A369 E370 M371 K376 I377A369-A373 PolarHBondContact O-N 3.22Å; A369-A373 VanDerWaalsContact O-N 3.1Å; E370-A373 WeakPolarHBondContact O-CB 3.45Å; E370-A373 PolarHBondContact O-N 3.42Å; E370-A373 VanDerWaalsContact O-N 3.09Å; M371-A373 VanDerWaalsContact C-N 3.3Å; M371-A373 PolarHBondContact O-N 2.9Å; A373-K376 PolarHBondContact O-N 3.07Å; A373-I377 WeakPolarHBondContact O-CG1 3.49Å; A373-I377 PolarHBondContact O-N 3.18Å
374L87.8Confident87.1Confident34 Ų3472.5 Ų72.518%0.17839%0.389CS..Hα-helixtrans-61.9-42.9176.5-68.4164.7000112R259 E370 M371 K376 I377 L378R259-L374 VanDerWaalsContact NH1-CD1 3.27Å; E370-L374 WeakPolarHBondContact O-CG 3.22Å; E370-L374 PolarHBondContact O-N 2.93Å; M371-L374 PolarHBondContact O-N 3.47Å; M371-L374 HydrophobicContact SD-CD1 4.26Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-K376 PolarHBondContact O-N 3.13Å; L374-I377 PolarHBondContact O-N 2.64Å; L374-L378 WeakPolarHBondContact O-CB 3.5Å; L374-L378 VanDerWaalsContact O-CG 3.31Å; L374-L378 WeakPolarHBondContact O-CG 3.43Å; L374-L378 PolarHBondContact O-N 3.01Å
375A87.5Confident86.5Confident16 Ų1675.9 Ų75.913%0.13241%0.407CS..Hα-helixtrans-61.9-39.3178.500000112.2F274 M371 L378 S379F274-A375 HydrophobicContact CD1-CB 4.44Å; F274-A375 HydrophobicContact CE1-CB 4Å; F274-A375 HydrophobicContact CZ-CB 4.1Å; M371-A375 WeakPolarHBondContact O-CB 3.48Å; M371-A375 PolarHBondContact O-N 3.03Å; A375-L378 CarbonylContact O-C 3.59Å; A375-L378 PolarHBondContact O-N 3.5Å; A375-S379 WeakPolarHBondContact O-CB 3.27Å; A375-S379 PolarHBondContact O-N 2.75Å; A375-S379 VanDerWaalsContact O-N 3.16Å; A375-S379 PolarHBondContact O-OG 2.94Å; A375-S379 VanDerWaalsContact O-OG 3.09Å
376K89.1Confident85.9Confident131 Ų13174.1 Ų74.157%0.5740%0.404SS*.Hα-helixtrans-60.3-54.5173-75.5178.2177.7-1680111.7R372 A373 L374 L378 S379 E380R372-K376 WeakPolarHBondContact O-CG 3.44Å; R372-K376 PolarHBondContact O-N 3.49Å; A373-K376 PolarHBondContact O-N 3.07Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-K376 PolarHBondContact O-N 3.13Å; K376-L378 PolarHBondContact O-N 3.05Å; K376-L378 VanDerWaalsContact O-N 3.16Å; K376-S379 WeakPolarHBondContact CA-OG 3.35Å; K376-S379 CarbonylContact O-C 3.45Å; K376-S379 WeakPolarHBondContact O-CA 3.44Å; K376-S379 PolarHBondContact O-N 3.34Å; K376-S379 PolarHBondContact O-OG 3.36Å; K376-E380 WeakPolarHBondContact O-CG 3.44Å; K376-E380 PolarHBondContact O-N 3.43Å
377I86.8Confident85.2Confident107 Ų10773.6 Ų73.655%0.54940%0.398SS..Hα-helixtrans-56.7-34.3178.4-63.2164.1000111.5A373 L374 S379A373-I377 WeakPolarHBondContact O-CG1 3.49Å; A373-I377 PolarHBondContact O-N 3.18Å; L374-I377 PolarHBondContact O-N 2.64Å; I377-S379 VanDerWaalsContact C-N 3.31Å; I377-S379 PolarHBondContact O-N 3.49Å
378L82.7Confident84.6Confident35 Ų3577.8 Ų77.818%0.18342%0.419CS..THydrogen-bonded Turntrans-85.69175.5-68.4175.8000114.8M254 K277 I278 L374 A375 K376M254-L378 HydrophobicContact CE-CD2 4.32Å; K277-L378 HydrophobicContact CB-CD1 3.92Å; K277-L378 HydrophobicContact CD-CB 3.99Å; K277-L378 HydrophobicContact CD-CD1 4.16Å; K277-L378 HydrophobicContact CD-CD2 4.35Å; K277-L378 HydrophobicContact CD-CG 4.42Å; K277-L378 PolarHBondContact NZ-O 3.1Å; I278-L378 HydrophobicContact CD1-CD1 3.59Å; I278-L378 HydrophobicContact CG1-CD1 4.09Å; L374-L378 WeakPolarHBondContact O-CB 3.5Å; L374-L378 VanDerWaalsContact O-CG 3.31Å; L374-L378 WeakPolarHBondContact O-CG 3.43Å; L374-L378 PolarHBondContact O-N 3.01Å; A375-L378 CarbonylContact O-C 3.59Å; A375-L378 PolarHBondContact O-N 3.5Å; K376-L378 PolarHBondContact O-N 3.05Å; K376-L378 VanDerWaalsContact O-N 3.16Å
379S79.6Confident83.9Confident87 Ų8781.9 Ų81.961%0.60844%0.441SS*.THydrogen-bonded Turntrans-128.6-12.1175.666.40000113.5A375 K376 I377A375-S379 WeakPolarHBondContact O-CB 3.27Å; A375-S379 PolarHBondContact O-N 2.75Å; A375-S379 VanDerWaalsContact O-N 3.16Å; A375-S379 PolarHBondContact O-OG 2.94Å; A375-S379 VanDerWaalsContact O-OG 3.09Å; K376-S379 WeakPolarHBondContact CA-OG 3.35Å; K376-S379 CarbonylContact O-C 3.45Å; K376-S379 WeakPolarHBondContact O-CA 3.44Å; K376-S379 PolarHBondContact O-N 3.34Å; K376-S379 PolarHBondContact O-OG 3.36Å; I377-S379 VanDerWaalsContact C-N 3.31Å; I377-S379 PolarHBondContact O-N 3.49Å
380E68.3Low83Confident150 Ų15084.8 Ų84.870%0.70145%0.445SS*.  trans-87.814.8168.9-67.6165.5-162.300111.7K376K376-E380 WeakPolarHBondContact O-CG 3.44Å; K376-E380 PolarHBondContact O-N 3.43Å
381V49.7Very low82.3Confident155 Ų15581.6 Ų81.694%0.93943%0.434SS*.  trans-137.50176.2-176.50000109.2

Retrieved 381 of 381 residues in 262.3 ms (Link to these results)