A0A096NDN1_PAPAN Loading...

von Willebrand factor C domain containing 2

AlphaFold DB , UniProt , Accession A0A096NDN1, Species PAPAN (Papio anubis, Olive baboon), Gene VWC2, Length 325 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
1M42.1Very low43.9Very low239 Ų239131.3 Ų131.3100%1.17787%0.866SS**  0118.20-70.8174.3171.700107.4
2P45.9Very low44.4Very low128 Ų128134.3 Ų134.383%0.83187%0.867SS**PPolyproline II helixtrans-88.1133.4-17833.3-30.7000111.2
3S40.6Very low45.2Very low122 Ų122129.5 Ų129.585%0.85384%0.839SS**PPolyproline II helixtrans-98.3119.7166-74.30000109.4
4S42.5Very low46.1Very low122 Ų122127 Ų12785%0.85383%0.826SS**PPolyproline II helixtrans-70.2130.8179.5-55.60000112.1
5T48.8Very low46.8Very low141 Ų141124.1 Ų124.187%0.86581%0.81SS**  trans-90.5114.6162.342.30000109.3
6A45.1Very low47.2Very low101 Ų101124.3 Ų124.384%0.83580%0.801SS**  trans-85.7138.1178.600000111.5
7M40.8Very low47.7Very low182 Ų182124.5 Ų124.590%0.89779%0.793SS**  trans-80123.2174.3-68.5-84.1-85.400110.2
8A41.1Very low48.2Very low103 Ų103122.8 Ų122.885%0.85178%0.781SS**  trans-97.1103172.200000110.5G10A8-G10 PolarHBondContact O-N 3.32Å
9V44.2Very low48.6Very low137 Ų137120.7 Ų120.783%0.8377%0.767SS**  trans-82.8103.8171.7178.50000108.7A11V9-A11 PolarHBondContact O-N 3.14Å
10G40.2Very low48.8Very low68 Ų68118.8 Ų118.870%0.70176%0.756SS**  trans-77.7109.5176.100000111.8A8 L12A8-G10 PolarHBondContact O-N 3.32Å; G10-L12 PolarHBondContact O-N 3.24Å
11A51.2Low49Very low101 Ų101117.5 Ų117.584%0.83575%0.749SS**  trans-70.8108172.300000110.5V9V9-A11 PolarHBondContact O-N 3.14Å
12L49.9Very low49.5Very low168 Ų168111.7 Ų111.788%0.8872%0.723SS**  trans-78122.9174.6-73.4172.5000110.6G10G10-L12 PolarHBondContact O-N 3.24Å
13S55.3Low50.1Low72 Ų72112.3 Ų112.350%0.50372%0.716SS.*  trans-63.4133.1-176.2174.90000113S15S13-S15 PolarHBondContact O-N 2.03Å; S13-S15 WeakPolarHBondContact OG-CB 2.98Å; S13-S15 PolarHBondContact OG-N 3.45Å; S13-S15 PolarHBondContact OG-OG 3.05Å
14S57.4Low50.7Low94 Ų94111.8 Ų111.866%0.65771%0.707SS**THydrogen-bonded Turntrans-62-10.7175-161.30000113.9L16S14-L16 PolarHBondContact O-N 2.67Å
15S57.6Low51Low83 Ų83109.5 Ų109.558%0.5870%0.696SS**Hα-helixtrans-73.1-18.7-177.9-51.40000115S13S13-S15 PolarHBondContact O-N 2.03Å; S13-S15 WeakPolarHBondContact OG-CB 2.98Å; S13-S15 PolarHBondContact OG-N 3.45Å; S13-S15 PolarHBondContact OG-OG 3.05Å
16L53.2Low51Low128 Ų128109.7 Ų109.767%0.6769%0.691SS**Hα-helixtrans-84.2-20.3-178.7-80.4161.9000114S14 T19S14-L16 PolarHBondContact O-N 2.67Å; L16-T19 PolarHBondContact O-OG1 2.96Å
17L55Low51.2Low127 Ų127110.2 Ų110.267%0.66569%0.687SS**Hα-helixtrans-79.3-34.7177.9-70.2170.2000111.9T19 C20 C21L17-T19 PolarHBondContact O-N 2.84Å; L17-C20 PolarHBondContact O-N 2.89Å; L17-C21 PolarHBondContact O-N 3.48Å; L17-C21 PolarHBondContact O-SG 3.42Å
18V56.2Low51.4Low94 Ų94106.2 Ų106.257%0.5768%0.677SS**Hα-helixtrans-68.2-36.6-178.5-176.40000112.1
19T56.2Low51.9Low84 Ų84107.1 Ų107.152%0.51568%0.675SS.*Hα-helixtrans-71.9-28.5176.247.10000113L16 L17L16-T19 PolarHBondContact O-OG1 2.96Å; L17-T19 PolarHBondContact O-N 2.84Å
20C52.1Low52.1Low81 Ų81106 Ų10655%0.54767%0.673SS.*Hα-helixtrans-69.9-42175.2-163.70000111.8L17 L22 M23L17-C20 PolarHBondContact O-N 2.89Å; C20-L22 VanDerWaalsContact C-N 3.33Å; C20-L22 PolarHBondContact O-N 2.71Å; C20-M23 PolarHBondContact O-N 3.37Å
21C54.1Low52.8Low92 Ų92110.1 Ų110.162%0.62268%0.677SS**Hα-helixtrans-62.5-34.1179.2-66.90000113.8L17 M23L17-C21 PolarHBondContact O-N 3.48Å; L17-C21 PolarHBondContact O-SG 3.42Å; C21-M23 VanDerWaalsContact C-N 3.34Å; C21-M23 PolarHBondContact O-N 2.81Å
22L52.4Low52.2Low117 Ų117111.2 Ų111.261%0.61368%0.676SS**Hα-helixtrans-70-28.3178.7-78.6166.7000113.5C20C20-L22 VanDerWaalsContact C-N 3.33Å; C20-L22 PolarHBondContact O-N 2.71Å
23M57.5Low51.8Low142 Ų142110.8 Ų110.870%0.767%0.673SS**Hα-helixtrans-79.5-21.8179.8-64.7-63.7-73.600113.1C20 C21C20-M23 PolarHBondContact O-N 3.37Å; C21-M23 VanDerWaalsContact C-N 3.34Å; C21-M23 PolarHBondContact O-N 2.81Å
24V53.1Low51.2Low110 Ų110115.9 Ų115.967%0.66769%0.689SS**Hα-helixtrans-79-27.6175.7-179.80000111.7L26V24-L26 VanDerWaalsContact C-N 3.3Å; V24-L26 PolarHBondContact O-N 2.04Å
25A49.9Very low50Low74 Ų74120.7 Ų120.761%0.61270%0.698SS**THydrogen-bonded Turntrans-74.1-13.3-178.800000114.9
26L49.6Very low49.3Very low146 Ų146125.2 Ų125.276%0.76472%0.715SS**THydrogen-bonded Turntrans-104.92-172.8-70.6172.5000115V24V24-L26 VanDerWaalsContact C-N 3.3Å; V24-L26 PolarHBondContact O-N 2.04Å
27C49Very low48.5Very low111 Ų111123.1 Ų123.175%0.7572%0.716SS**  trans-118.739.5179.2-72.60000114
28S44.4Very low47.5Very low98 Ų98125.4 Ų125.469%0.68572%0.724SS**  trans-92.4114.7164.8-65.40000110S30S28-S30 PolarHBondContact O-N 3.49Å
29P50.4Low46.6Very low123 Ų123125.7 Ų125.780%0.79974%0.735SS**  trans-72.3109.2173.328.6-32000110I31P29-I31 PolarHBondContact O-N 3.02Å
30S49.3Very low45.6Very low113 Ų113127.6 Ų127.679%0.7975%0.749SS**  trans-69.6119.5173.639.60000111S28 P32S28-S30 PolarHBondContact O-N 3.49Å; S30-P32 WeakPolarHBondContact O-CD 3.18Å
31I54.4Low44.7Very low155 Ų155132.3 Ų132.380%0.79576%0.763SS**  trans-81.1119.2171.1-59171000108.2P29 L33P29-I31 PolarHBondContact O-N 3.02Å; I31-L33 PolarHBondContact O-N 2.93Å
32P39.6Very low43.7Very low124 Ų124137.2 Ų137.281%0.80578%0.777SS**  trans-82.7112.9171.331.7-30.1000109.9S30S30-P32 WeakPolarHBondContact O-CD 3.18Å
33L41.8Very low42.9Very low159 Ų159137.1 Ų137.183%0.83278%0.783SS**  trans-104.486.5178.8-161.9177.3000109.3I31I31-L33 PolarHBondContact O-N 2.93Å
34E41.4Very low41.7Very low179 Ų179133.7 Ų133.784%0.83679%0.785SS**  trans-160102.5166.4-112.6-163.411900113
35K33Very low40.8Very low195 Ų195137.3 Ų137.385%0.84879%0.794SS**  169119.4121.7-95.1177.4176.8177.90112.7
36L41.8Very low40Very low178 Ų178141.3 Ų141.393%0.93280%0.801SS**  trans-73.7129.5149.9-97.571000108.7
37A38.2Very low39.2Very low84 Ų84142.1 Ų142.169%0.69480%0.798SS**  trans179.2138.4142.300000112
38Q34.1Very low38.4Very low175 Ų175145.7 Ų145.782%0.81880%0.795SS**  trans33.2115.6157-88.168.88.900120.5
39A35.9Very low37.9Very low99 Ų99147.8 Ų147.882%0.81879%0.794SS**PPolyproline II helixtrans-82134.4147.600000109.9
40P36.2Very low37.2Very low124 Ų124150.2 Ų150.281%0.80580%0.795SS**PPolyproline II helixtrans-88.4154.1171.734.4-32.9000112.5
41E32Very low36.3Very low181 Ų181149.2 Ų149.285%0.84679%0.793SS**PPolyproline II helixtrans-66.1156.9177.2-59.2176.677.700113.7
42Q34Very low35.2Very low194 Ų194146.7 Ų146.791%0.90779%0.79SS**  trans-134.1151.2140.3-82.1-155.7-2.900111.3
43P35.7Very low34.9Very low115 Ų115151.1 Ų151.175%0.74779%0.79SS**  trans-110149.5-149.538.6-31.3000115.7
44G31.9Very low34.3Very low71 Ų71150.3 Ų150.373%0.73279%0.787SS**  66109.1124.400000120.9
45Q35.2Very low33.8Very low186 Ų186145 Ų14587%0.86978%0.781SS**  -167.8101.7119.4-104.1172.5-17.800108
46E32.9Very low34.6Very low158 Ų158142 Ų14274%0.73878%0.78SS**  6210989.5-163-165.6124.700113.1
47K32.5Very low34.1Very low163 Ų163136.9 Ų136.971%0.70977%0.771SS**  174.3105.599.1-162156.7-173.6160.40115.2
48R32.6Very low33.8Very low185 Ų185144.3 Ų144.370%0.69878%0.781SS**  trans68.5109.9131.6-155.1168-154.4-1806.1122
49E32.4Very low33.9Very low142 Ų142141.5 Ų141.566%0.66478%0.775SS**  28.1134.1126.7-44.2169.7110.600119.9
50H35.7Very low33.7Very low175 Ų175144.2 Ų144.281%0.8178%0.776SS**  -165.1162.496.4-97.875.2000110.8
51A31.8Very low33.6Very low92 Ų92146.1 Ų146.176%0.7678%0.775SS**  trans-111.5169.9-166.100000114.3
52S30.6Very low33.8Very low102 Ų102145 Ų14571%0.71377%0.773SS**  trans95.1125141.4-142.50000120.1
53R33.1Very low33.7Very low217 Ų217139.2 Ų139.282%0.81977%0.766SS**  90.6145127.7-107.2179.3162.9157.1-1.4123.2
54D30.3Very low34Very low141 Ų141145.3 Ų145.375%0.75477%0.774SS**  trans74.7134.7154.2-72.5-67.6000121.3
55G30.7Very low34.6Very low69 Ų69147.7 Ų147.771%0.71178%0.777SS**  trans-89.2-148.6162.100000110.7
56P48.9Very low34.5Very low130 Ų130143.1 Ų143.184%0.84477%0.77SS**  cis-138.4168.511.441.6-24.3000116.9
57G30.9Very low34.7Very low71 Ų71147.3 Ų147.373%0.73278%0.779SS**  trans69.8128.4132.400000122.2
58R33Very low34.8Very low240 Ų240147.4 Ų147.491%0.90679%0.788SS**  -177.1117.6114.8-99.2-179.5-178.8-127.5-0.3113.2
59V34.7Very low34.9Very low116 Ų116147.5 Ų147.570%0.70380%0.796SS**  trans10.1131.3138.7-55.10000119.9
60N32.9Very low34.9Very low156 Ų156144.4 Ų144.483%0.83480%0.803SS**  -165.9132.694.1-113.619.2000114.1
61E34.1Very low34.6Very low165 Ų165139.7 Ų139.777%0.77180%0.801SS**  trans-63.7171.7154.8-76.2-175.3105.800111.2
62L36.4Very low34.7Very low156 Ų156141.3 Ų141.382%0.81781%0.807SS**  cis-164.3171.612-125.5156.7000107.1
63G32Very low35Very low73 Ų73139.7 Ų139.775%0.75381%0.806SS**  trans136.578.6156.400000119.6
64R40.4Very low35.3Very low244 Ų244140.2 Ų140.292%0.92181%0.808SS**  trans-97.8167.9144.9-90.4-172.1-178.5-150.52107.3
65P46.5Very low35.5Very low121 Ų121140.9 Ų140.979%0.78681%0.812SS**  cis-155.8-165.441.544.2-21.3000118.3
66A32.9Very low35.7Very low89 Ų89150 Ų15074%0.73683%0.825SS**  trans71.3114.1156.100000118.1
67R36.7Very low34.9Very low246 Ų246152.6 Ų152.693%0.92882%0.823SS**  79.811973.2-105.2-169.3176.5-178-1.9113.2
68D33.2Very low35.1Very low165 Ų165153.8 Ų153.888%0.88282%0.82SS**  -163.1170.7126.8-127.3-52.6000113
69E35.7Very low35.1Very low187 Ų187152 Ų15287%0.87482%0.818SS**  trans-90.5164.3-167.5-65.8-170.168.300117
70G32.3Very low34.9Very low78 Ų78151.9 Ų151.980%0.80482%0.823SS**  114.2107.1125.700000121.4
71G30.3Very low34.9Very low75 Ų75147.5 Ų147.577%0.77381%0.814SS**  100.2132.1124.800000121.9
72S32.9Very low35Very low127 Ų127151.6 Ų151.689%0.88882%0.823SS**  trans59.1138.8163.1-67.50000119.1
73G36.3Very low34.9Very low67 Ų67147.4 Ų147.469%0.69182%0.818SS**  cis105.586.46.300000113.6
74R39.5Very low34.9Very low229 Ų229152.7 Ų152.786%0.86483%0.828SS**  trans-155.6121.2158.4-57.7-169.3-169.7-161.10.7107.4
75D36Very low34.7Very low155 Ų155146 Ų14683%0.82983%0.825SS**  57105.880.8-87.1-72.6000114.8
76W33.5Very low34Very low261 Ų261144 Ų14499%0.98983%0.826SS**  trans-123.4108.5167.3-150.8-80.5000110
77K32.9Very low34.1Very low183 Ų183151.6 Ų151.680%0.79684%0.836SS**  trans-135.5117.8-177.4-170167.5-179.5173.20112.6
78S34Very low34.2Very low96 Ų96148.1 Ų148.167%0.67183%0.83SS**  trans48.3119.6148.8-51.80000121.5
79K33.8Very low34.8Very low202 Ų202146.2 Ų146.288%0.87883%0.827SS**  -165.8114.3126.1-103.9165.9-179.6177.80107.5
80S30.8Very low34.5Very low115 Ų115148.1 Ų148.180%0.80483%0.826SS**  74.9109.166.9-61.30000114.8
81G33.2Very low34.6Very low63 Ų63148.7 Ų148.765%0.64982%0.817SS**  129.9115.5126.700000118.9
82R36.4Very low34.9Very low251 Ų251155 Ų15595%0.94782%0.824SS**  trans70.2134.8157.9-55171.2-77.1-143.41.8114.9
83G33.1Very low34.9Very low69 Ų69157.1 Ų157.171%0.71182%0.824SS**  cis112.5104.41.900000112.3
84L33.1Very low34.8Very low184 Ų184163.6 Ų163.696%0.96383%0.833SS**  trans170.8156.7142.4-93.6165.9000112.1
85A35Very low34.7Very low103 Ų103162 Ų16285%0.85184%0.835SS**  trans-55.8152.3-170.700000117.8
86G32Very low34.5Very low80 Ų80158.7 Ų158.783%0.82583%0.83SS**  trans-169.3111.217000000113
87R35.1Very low34.3Very low248 Ų248158.8 Ų158.894%0.93683%0.83SS**  trans-63.5145.7-172.5-64.2162173-106.80.1114.8
88E39.8Very low34.1Very low173 Ų173155.7 Ų155.781%0.80883%0.826SS**  trans-58.3159.1156-90.9-168.2112.400112.6
89P44.4Very low34.2Very low124 Ų124157 Ų15781%0.80584%0.836SS**  -143.8152.153.737.5-16.8000119.4
90W30.7Very low34.1Very low228 Ų228156.6 Ų156.686%0.86484%0.837SS**PPolyproline II helixtrans-75.8154.8172-177.5-93.6000113.4
91S34.7Very low34Very low89 Ų89154.8 Ų154.862%0.62284%0.837SS**PPolyproline II helixtrans-79.8154.3-171.846.40000114.9
92K36.7Very low34Very low209 Ų209156 Ų15691%0.90985%0.849SS**PPolyproline II helixtrans-66.3140.3-179.2-60.7166.8179.3173.30112.4
93L32.2Very low33.7Very low170 Ų170148 Ų14889%0.8985%0.845SS**  trans-146112.8141.3-168.465.5000109.8
94K34.4Very low33.7Very low204 Ų204149.8 Ų149.889%0.88785%0.853SS**  trans-130.2139.7163.8-96.3-166.9174.8-173.80108.9
95Q36Very low33.7Very low194 Ų194151.2 Ų151.291%0.90785%0.851SS**  trans-72.5152.7-175.9-68.5164.1-4700111.5
96A32.7Very low33.4Very low87 Ų87151.3 Ų151.372%0.71985%0.852SS**  trans-76.9152.9175.500000111.6
97W29Very low33.4Very low262 Ų262151.3 Ų151.399%0.99285%0.852SS**  trans-136.3146.5151.6-112.428.6000109
98V30Very low33.3Very low118 Ų118146.5 Ų146.572%0.71585%0.845SS**  trans-106.7141.5-169.4167.50000110.1
99S34.4Very low33.1Very low125 Ų125146.4 Ų146.487%0.87485%0.849SS**  trans-149.9134.5150.9-78.80000109.6
100Q33.1Very low32.4Very low193 Ų193148.2 Ų148.290%0.90285%0.847SS**  trans-90.5150.5-178-65.2-176.8-1.800111.5
101G29.1Very low32.3Very low77 Ų77143.2 Ų143.279%0.79484%0.841SS**  trans-161124.1166.300000108.8
102G31.6Very low32.1Very low88 Ų88149.6 Ų149.691%0.90785%0.851SS**  trans-76.2155.4-166.500000114.8
103G30.1Very low32.3Very low84 Ų84144 Ų14487%0.86684%0.837SS**  trans-102.8161.1178.200000114.4
104A33.5Very low32.1Very low106 Ų106147 Ų14788%0.87684%0.836SS**  trans-132155.9164.200000109.7
105K32.5Very low31.8Very low213 Ų213140.4 Ų140.493%0.92683%0.826SS**  trans-79149.1-156.5-68.9-176.6172.7-176.30115.4
106A30.4Very low31.5Very low106 Ų106137.9 Ų137.988%0.87682%0.818SS**  trans-78150.6157.400000111.5
107G31.6Very low31.5Very low79 Ų79140.3 Ų140.381%0.81483%0.825SS**  trans-127.1130.2165.500000109.1
108D32.6Very low32.1Very low147 Ų147132.6 Ų132.679%0.78681%0.808SS**  trans-91.7145.3-172.6-139.1-67.1000111.2
109L34.7Very low32Very low172 Ų172136 Ų13690%0.90182%0.817SS**  trans-155128.5157.8-140.179.3000112.5
110Q31.5Very low31.7Very low162 Ų162133.3 Ų133.376%0.75781%0.808SS**  trans-76.9138.1-178-92.217416.200112.4
111V28.1Very low31.5Very low123 Ų123134.1 Ų134.175%0.74581%0.812SS**  59.3125.392.2167.50000111.6
112R29Very low31.6Very low222 Ų222134.5 Ų134.584%0.83881%0.808SS**  cis-172.3-156.416-128.6-179.3129.2133.74.4108.1
113P41.7Very low31.5Very low92 Ų92138.6 Ų138.660%0.59781%0.808SS**  cis-136173.1-35.637.5-21.5000115.3
114R28.2Very low31.4Very low234 Ų234138.6 Ų138.688%0.88380%0.8SS**  trans58.4145.3159.2-80.7176.9165.2159.8-5116.2
115G27.2Very low31.3Very low65 Ų65138.5 Ų138.567%0.6780%0.799SS**  cis166.5179.88.400000108.1
116D29.9Very low31.2Very low140 Ų140132.6 Ų132.675%0.74979%0.79SS**  cis-161.2152.7-15.3-80.3-40.2000106.6
117T34Very low31.3Very low138 Ų138131.6 Ų131.685%0.84778%0.781SS**  trans-77.6154.5-176.93.40000112.5
118P41.1Very low31.4Very low100 Ų100136.1 Ų136.165%0.64978%0.781SS**  -155.4168.667.341.6-20.3000119.1
119Q28.7Very low31.3Very low191 Ų191136.5 Ų136.589%0.89378%0.783SS**  trans32.1139136.4-56.8159.622.500121.9
120G27.7Very low31.2Very low68 Ų68131.8 Ų131.870%0.70177%0.77SS**  trans155.3106.4145.800000119.2
121E27.9Very low31.4Very low210 Ų210131.9 Ų131.998%0.98177%0.774SS**  trans73.9168.5137.6-62.1-178.5109.100122.1
122A31.2Very low31.8Very low85 Ų85129.1 Ų129.170%0.70277%0.77SS**  trans-138.5-169.3-159.500000111.7
123L30.2Very low32.7Very low173 Ų173124.4 Ų124.491%0.90677%0.768SS**  trans78.6151.6176.9-49171.1000114.6
124A28.3Very low32.6Very low85 Ų85128.1 Ų128.170%0.70278%0.778SS**  cis-171.8171.3-23.800000109.2
125A30.7Very low33.6Very low104 Ų104124.6 Ų124.686%0.8678%0.775SS**  trans69.7152.6161.300000118.8
126A30.6Very low34.4Very low89 Ų89126 Ų12674%0.73678%0.781SS**  cis-171.1156.2-22.300000111.2
127A31.8Very low35.2Very low84 Ų84125.2 Ų125.269%0.69478%0.783SS**  trans60.7160153.400000118.9
128Q33.8Very low35.6Very low174 Ų174125 Ų12581%0.81378%0.782SS**  cis-121.8177.6-17.4-85.7108.219.700106.5
129D30.3Very low36Very low155 Ų155125.7 Ų125.783%0.82979%0.787SS**  cis-165.2-178.340.1-143.2-60000111.6
130A32.5Very low37.5Very low74 Ų74125.1 Ų125.161%0.61278%0.784SS**  trans-96167.2-154.900000117.4
131I36.7Very low38.8Very low164 Ų164127.2 Ų127.284%0.84179%0.785SS**  151.1120.6128.8-75.3154.6000110.5
132G36.1Very low40.1Very low65 Ų65123 Ų12367%0.6778%0.776SS**  trans-97.4161.9161.200000110.8
133P49.2Very low41.5Very low123 Ų123127.9 Ų127.980%0.79978%0.784SS**  -139.8136.792.434.6-18.7000112.6
134E38.3Very low42.8Very low170 Ų170128 Ų12879%0.79478%0.78SS**  96.611784.6-165.3175.2120.200113.8
135L48.8Very low44.2Very low160 Ų160132.2 Ų132.284%0.83878%0.779SS**  trans55.5105157.7-66169.1000121.5
136A44.3Very low45.7Very low95 Ų95132.3 Ų132.379%0.78577%0.769SS**  trans-144151.6139.600000108.5
137P47.1Very low46.9Very low122 Ų122136.2 Ų136.279%0.79277%0.765SS**PPolyproline II helixtrans-74.5145.6-161.829.4-35.7000113.6P139P137-P139 WeakPolarHBondContact O-CD 3.41Å
138T42.8Very low48.3Very low133 Ų133135.1 Ų135.182%0.81675%0.752SS**PPolyproline II helixtrans-61.7120.4167.244.20000110.3
139P50.3Low49.6Very low116 Ų116132.5 Ų132.575%0.75374%0.743SS**PPolyproline II helixtrans-66.1134.2160.7-9.926.8000107.7P137P137-P139 WeakPolarHBondContact O-CD 3.41Å
140E59.4Low50.9Low178 Ų178132.8 Ų132.883%0.83273%0.733SS**PPolyproline II helixtrans-57137.4168.1-58.3-175.2164.800108.3
141P54.9Low52.3Low113 Ų113140.3 Ų140.373%0.73475%0.746SS**PPolyproline II helixtrans-59.6133.6177.925.8-32.7000108.1E143P141-E143 PolarHBondContact O-N 2.8Å
142P55.3Low53.5Low121 Ų121136.2 Ų136.279%0.78674%0.744SS**PPolyproline II helixtrans-56.2138.9171.227-33.7000107.5E144P142-E144 PolarHBondContact O-N 2.91Å; P142-E144 VanDerWaalsContact O-N 3.12Å
143E61.1Low55.3Low188 Ų188139.9 Ų139.988%0.87974%0.742SS**  trans-30.5116.7-175.5-65.1177153.600110.6P141 Y145P141-E143 PolarHBondContact O-N 2.8Å; E143-Y145 PolarHBondContact O-N 2.8Å
144E55.8Low56.8Low174 Ų174135.2 Ų135.281%0.81372%0.716SS**  trans-43.6117.5177.5178.9172.8-168.500107.1P142 V146P142-E144 PolarHBondContact O-N 2.91Å; P142-E144 VanDerWaalsContact O-N 3.12Å; E144-V146 WeakPolarHBondContact O-CG2 2.98Å; E144-V146 PolarHBondContact O-N 3.3Å
145Y58.1Low59.2Low174 Ų174127.4 Ų127.468%0.68268%0.68SS**  trans-68.184.5-179.7-180-95000106.2E143 Y147E143-Y145 PolarHBondContact O-N 2.8Å; Y145-Y147 AromaticContact CD1-CD2 3.63Å; Y145-Y147 HydrophobicContact CD1-CD2 3.63Å; Y145-Y147 AromaticContact CD1-CE2 3.79Å; Y145-Y147 HydrophobicContact CD1-CE2 3.79Å; Y145-Y147 HydrophobicContact CD1-CG 4.3Å; Y145-Y147 HydrophobicContact CE1-CD1 4.33Å; Y145-Y147 AromaticContact CE1-CD2 3.65Å; Y145-Y147 HydrophobicContact CE1-CD2 3.65Å; Y145-Y147 HydrophobicContact CE1-CE1 4.29Å; Y145-Y147 AromaticContact CE1-CE2 3.6Å; Y145-Y147 HydrophobicContact CE1-CE2 3.6Å; Y145-Y147 HydrophobicContact CE1-CG 4.03Å; Y145-Y147 AromaticContact CE1-CZ 3.93Å; Y145-Y147 PolarHBondContact O-N 2.83Å
146V62.8Low61.1Low106 Ų106124 Ų12464%0.64267%0.666SS**  trans-63.392.7173.7177.90000104.1E144 P148E144-V146 WeakPolarHBondContact O-CG2 2.98Å; E144-V146 PolarHBondContact O-N 3.3Å; V146-P148 VanDerWaalsContact O-CD 3.25Å; V146-P148 WeakPolarHBondContact O-CD 3.22Å
147Y56.1Low63.1Low171 Ų171120.8 Ų120.867%0.67164%0.635SS**  trans-45.2116.2162.4-105.1-85.4000105.3Y145 D149Y145-Y147 AromaticContact CD1-CD2 3.63Å; Y145-Y147 HydrophobicContact CD1-CD2 3.63Å; Y145-Y147 AromaticContact CD1-CE2 3.79Å; Y145-Y147 HydrophobicContact CD1-CE2 3.79Å; Y145-Y147 HydrophobicContact CD1-CG 4.3Å; Y145-Y147 HydrophobicContact CE1-CD1 4.33Å; Y145-Y147 AromaticContact CE1-CD2 3.65Å; Y145-Y147 HydrophobicContact CE1-CD2 3.65Å; Y145-Y147 HydrophobicContact CE1-CE1 4.29Å; Y145-Y147 AromaticContact CE1-CE2 3.6Å; Y145-Y147 HydrophobicContact CE1-CE2 3.6Å; Y145-Y147 HydrophobicContact CE1-CG 4.03Å; Y145-Y147 AromaticContact CE1-CZ 3.93Å; Y145-Y147 PolarHBondContact O-N 2.83Å; Y147-D149 PolarHBondContact O-N 3.35Å; Y147-D149 VanDerWaalsContact O-N 3.11Å
148P61.4Low65Low62 Ų62122.2 Ų122.240%0.40363%0.632SS.*  trans-54.6129-178.4-2533000107.4V146 Y150V146-P148 VanDerWaalsContact O-CD 3.25Å; V146-P148 WeakPolarHBondContact O-CD 3.22Å; P148-Y150 HydrophobicContact CB-CD2 4.17Å; P148-Y150 HydrophobicContact CB-CE1 4.36Å; P148-Y150 HydrophobicContact CB-CE2 3.74Å; P148-Y150 HydrophobicContact CG-CE2 3.92Å; P148-Y150 WeakPolarHBondContact O-CD2 3.48Å; P148-Y150 PolarHBondContact O-N 2.87Å
149D61Low67.1Low118 Ų118120.6 Ų120.663%0.63163%0.626SS**  trans-6781.6175.2-92.4-47.6000108.6Y147 R151 K153Y147-D149 PolarHBondContact O-N 3.35Å; Y147-D149 VanDerWaalsContact O-N 3.11Å; D149-R151 PolarHBondContact O-N 3.16Å; D149-K153 WeakPolarHBondContact O-CD 2.97Å; D149-K153 WeakPolarHBondContact O-CG 2.9Å
150Y56Low68.8Low161 Ų161117.4 Ų117.463%0.63161%0.614SS**  trans-66.1-9.6169.1-65.1-73.7000111P148 G152 K153P148-Y150 HydrophobicContact CB-CD2 4.17Å; P148-Y150 HydrophobicContact CB-CE1 4.36Å; P148-Y150 HydrophobicContact CB-CE2 3.74Å; P148-Y150 HydrophobicContact CG-CE2 3.92Å; P148-Y150 WeakPolarHBondContact O-CD2 3.48Å; P148-Y150 PolarHBondContact O-N 2.87Å; Y150-G152 PolarHBondContact O-N 2.87Å; Y150-K153 PolarHBondContact O-N 2.93Å; Y150-K153 VanDerWaalsContact O-N 3.09Å
151R62Low70.1Confident232 Ų232114.5 Ų114.588%0.87560%0.599SS**THydrogen-bonded Turntrans-64.392.9177.5-164.9178.6-144.41667110.8D149D149-R151 PolarHBondContact O-N 3.16Å
152G63.2Low71.7Confident78 Ų78113.1 Ų113.180%0.80459%0.588SS**THydrogen-bonded Turntrans91.68.4-177.500000114.7Y150Y150-G152 PolarHBondContact O-N 2.87Å
153K72.9Confident73.3Confident142 Ų142109.9 Ų109.962%0.61756%0.561SS**SBendtrans-10485.7172.2-65-167-177.1-170.40110.2D149 Y150D149-K153 WeakPolarHBondContact O-CD 2.97Å; D149-K153 WeakPolarHBondContact O-CG 2.9Å; Y150-K153 PolarHBondContact O-N 2.93Å; Y150-K153 VanDerWaalsContact O-N 3.09Å
154G81.4Confident74.6Confident25 Ų25103.3 Ų103.326%0.25854%0.539SS..SBendtrans144.1175.4-176.700000111.9Y163G154-Y163 CarbonylContact C-O 3.52Å; G154-Y163 WeakPolarHBondContact CA-O 3.44Å
155C87.9Confident76.2Confident7 Ų798.9 Ų98.95%0.04752%0.52CS..EExtended strand (participates in β ladder)trans-110.5145.5-177.9-55.70000109.8V162 Y163 F169 C180C155-V162 WeakPolarHBondContact O-CA 3.41Å; C155-Y163 PolarHBondContact N-O 2.56Å; C155-Y163 PolarHBondContact O-N 2.94Å; C155-F169 HydrophobicContact CB-CD1 4.45Å; C155-F169 HydrophobicContact CB-CE1 3.45Å; C155-F169 VanDerWaalsContact CB-CE1 3.45Å; C155-F169 HydrophobicContact CB-CE2 4.31Å; C155-F169 HydrophobicContact CB-CZ 3.36Å; C155-C180 HydrophobicContact CB-CB 3.79Å; C155-C180 WeakPolarHBondContact CB-SG 3.43Å; C155-C180 PolarHBondContact N-SG 2.94Å; C155-C180 WeakPolarHBondContact SG-CA 3.3Å; C155-C180 WeakPolarHBondContact SG-CB 3.29Å; C155-C180 CovalentContact SG-SG 2.04Å; C155-C180 PolarHBondContact SG-SG 3.19Å
156V88.6Confident77.5Confident87 Ų8793.1 Ų93.153%0.52751%0.513SS..EExtended strand (participates in β ladder)trans-116137.5-176.2-168.70000109.6F161 V162V156-F161 WeakPolarHBondContact CA-O 3.03Å; V156-V162 HydrophobicContact CG2-CG2 4.28Å
157D87.8Confident78.7Confident28 Ų2892.4 Ų92.415%0.1550%0.503CS..  trans-91.2175.7174.175.33.5000112.9S159 G160 F161 Y163 F169D157-S159 VanDerWaalsContact CG-OG 3.24Å; D157-S159 PolarHBondContact O-N 2.95Å; D157-S159 VanDerWaalsContact O-N 3.16Å; D157-S159 VanDerWaalsContact OD1-CA 3.29Å; D157-S159 WeakPolarHBondContact OD1-CA 3.06Å; D157-S159 WeakPolarHBondContact OD1-CB 3.32Å; D157-S159 PolarHBondContact OD1-N 2.73Å; D157-S159 PolarHBondContact OD1-OG 2.04Å; D157-S159 PolarHBondContact OD2-OG 3.31Å; D157-S159 VanDerWaalsContact OD2-OG 3.05Å; D157-G160 PolarHBondContact O-N 3.41Å; D157-G160 PolarHBondContact OD1-N 2.75Å; D157-F161 PolarHBondContact N-O 3.48Å; D157-F161 VanDerWaalsContact N-O 3.16Å; D157-F161 PolarHBondContact OD1-N 2.84Å; D157-Y163 HydrophobicContact CB-CE2 4.07Å; D157-F169 HydrophobicContact CB-CD2 4.21Å; D157-F169 HydrophobicContact CB-CE2 4.28Å
158E86.4Confident80.3Confident153 Ų15392.2 Ų92.272%0.71551%0.506SS*.THydrogen-bonded Turntrans-62-16.4175.8-74.9173.2-176.600113.7P171 G172 P173E158-P171 WeakPolarHBondContact CB-O 3.22Å; E158-P171 VanDerWaalsContact CG-O 3.29Å; E158-P171 WeakPolarHBondContact CG-O 3.02Å; E158-P171 PolarHBondContact N-O 3.12Å; E158-G172 WeakPolarHBondContact OE2-CA 3.42Å; E158-P173 VanDerWaalsContact OE2-CD 3.28Å; E158-P173 WeakPolarHBondContact OE2-CD 3.07Å
159S87Confident81.5Confident98 Ų9889.7 Ų89.769%0.68549%0.488SS*.THydrogen-bonded Turntrans-88.3-11.2175.184.70000113.4D157D157-S159 VanDerWaalsContact CG-OG 3.24Å; D157-S159 PolarHBondContact O-N 2.95Å; D157-S159 VanDerWaalsContact O-N 3.16Å; D157-S159 VanDerWaalsContact OD1-CA 3.29Å; D157-S159 WeakPolarHBondContact OD1-CA 3.06Å; D157-S159 WeakPolarHBondContact OD1-CB 3.32Å; D157-S159 PolarHBondContact OD1-N 2.73Å; D157-S159 PolarHBondContact OD1-OG 2.04Å; D157-S159 PolarHBondContact OD2-OG 3.31Å; D157-S159 VanDerWaalsContact OD2-OG 3.05Å
160G85.4Confident82.8Confident50 Ų5086.4 Ų86.452%0.51548%0.478SS..  trans8710.5-175.300000114.3D157D157-G160 PolarHBondContact O-N 3.41Å; D157-G160 PolarHBondContact OD1-N 2.75Å
161F87.6Confident84.2Confident117 Ų11780 Ų8051%0.51346%0.456SS..  trans-76.4140.1175.7-169.7-86.7000110.7V156 D157 Y163V156-F161 WeakPolarHBondContact CA-O 3.03Å; D157-F161 PolarHBondContact N-O 3.48Å; D157-F161 VanDerWaalsContact N-O 3.16Å; D157-F161 PolarHBondContact OD1-N 2.84Å; F161-Y163 HydrophobicContact CB-CE2 4.37Å; F161-Y163 HydrophobicContact CD1-CD1 4.07Å; F161-Y163 AromaticContact CD1-CD2 3.9Å; F161-Y163 HydrophobicContact CD1-CD2 3.9Å; F161-Y163 AromaticContact CD1-CE1 3.73Å; F161-Y163 HydrophobicContact CD1-CE1 3.73Å; F161-Y163 AromaticContact CD1-CE2 3.54Å; F161-Y163 HydrophobicContact CD1-CE2 3.54Å; F161-Y163 HydrophobicContact CD1-CG 4.16Å; F161-Y163 AromaticContact CD1-CZ 3.45Å; F161-Y163 VanDerWaalsContact CD1-CZ 3.45Å; F161-Y163 AromaticContact CE1-CD1 3.92Å; F161-Y163 HydrophobicContact CE1-CD1 3.92Å; F161-Y163 AromaticContact CE1-CE1 3.7Å; F161-Y163 HydrophobicContact CE1-CE1 3.7Å; F161-Y163 HydrophobicContact CE1-CE2 4.33Å; F161-Y163 HydrophobicContact CE1-CG 4.35Å; F161-Y163 AromaticContact CE1-CZ 3.93Å; F161-Y163 HydrophobicContact CG-CE2 4.39Å
162V88.2Confident85.2Confident83 Ų8369.5 Ų69.550%0.50342%0.42SS..EExtended strand (participates in β ladder)trans-104.8122.7-176.6-1720000110.4C155 V156C155-V162 WeakPolarHBondContact O-CA 3.41Å; V156-V162 HydrophobicContact CG2-CG2 4.28Å
163Y87.9Confident85.9Confident53 Ų5370.3 Ų70.321%0.20841%0.41CS..EExtended strand (participates in β ladder)trans-102.6139.4177.1-66.5-81.9000111.4G154 C155 D157 F161 E167 F169G154-Y163 CarbonylContact C-O 3.52Å; G154-Y163 WeakPolarHBondContact CA-O 3.44Å; C155-Y163 PolarHBondContact N-O 2.56Å; C155-Y163 PolarHBondContact O-N 2.94Å; D157-Y163 HydrophobicContact CB-CE2 4.07Å; F161-Y163 HydrophobicContact CB-CE2 4.37Å; F161-Y163 HydrophobicContact CD1-CD1 4.07Å; F161-Y163 AromaticContact CD1-CD2 3.9Å; F161-Y163 HydrophobicContact CD1-CD2 3.9Å; F161-Y163 AromaticContact CD1-CE1 3.73Å; F161-Y163 HydrophobicContact CD1-CE1 3.73Å; F161-Y163 AromaticContact CD1-CE2 3.54Å; F161-Y163 HydrophobicContact CD1-CE2 3.54Å; F161-Y163 HydrophobicContact CD1-CG 4.16Å; F161-Y163 AromaticContact CD1-CZ 3.45Å; F161-Y163 VanDerWaalsContact CD1-CZ 3.45Å; F161-Y163 AromaticContact CE1-CD1 3.92Å; F161-Y163 HydrophobicContact CE1-CD1 3.92Å; F161-Y163 AromaticContact CE1-CE1 3.7Å; F161-Y163 HydrophobicContact CE1-CE1 3.7Å; F161-Y163 HydrophobicContact CE1-CE2 4.33Å; F161-Y163 HydrophobicContact CE1-CG 4.35Å; F161-Y163 AromaticContact CE1-CZ 3.93Å; F161-Y163 HydrophobicContact CG-CE2 4.39Å; Y163-E167 WeakPolarHBondContact CA-OE2 3.31Å; Y163-F169 HydrophobicContact CD1-CB 3.6Å; Y163-F169 HydrophobicContact CD1-CG 4.27Å; Y163-F169 HydrophobicContact CD2-CB 3.52Å; Y163-F169 HydrophobicContact CD2-CD1 4.15Å; Y163-F169 AromaticContact CD2-CD2 3.33Å; Y163-F169 HydrophobicContact CD2-CD2 3.33Å; Y163-F169 HydrophobicContact CD2-CE2 4.02Å; Y163-F169 AromaticContact CD2-CG 3.41Å; Y163-F169 HydrophobicContact CD2-CG 3.41Å; Y163-F169 VanDerWaalsContact CD2-CG 3.41Å; Y163-F169 HydrophobicContact CE1-CB 3.55Å; Y163-F169 HydrophobicContact CE2-CB 3.47Å; Y163-F169 VanDerWaalsContact CE2-CB 3.47Å; Y163-F169 AromaticContact CE2-CD2 3.43Å; Y163-F169 HydrophobicContact CE2-CD2 3.43Å; Y163-F169 VanDerWaalsContact CE2-CD2 3.43Å; Y163-F169 HydrophobicContact CE2-CE2 4.36Å; Y163-F169 AromaticContact CE2-CG 3.7Å; Y163-F169 HydrophobicContact CE2-CG 3.7Å; Y163-F169 HydrophobicContact CG-CB 3.57Å; Y163-F169 HydrophobicContact CG-CD1 4.16Å; Y163-F169 HydrophobicContact CG-CD2 4.13Å; Y163-F169 AromaticContact CG-CG 3.71Å; Y163-F169 HydrophobicContact CG-CG 3.71Å; Y163-F169 VanDerWaalsContact CZ-CB 3.47Å
164A89.5Confident86Confident51 Ų5167 Ų6742%0.42141%0.405SS..PPolyproline II helixtrans-75.2157.2178.500000112.3G166 E167 C180A164-G166 PolarHBondContact O-N 2.85Å; A164-E167 HydrophobicContact CB-CG 4.05Å; A164-E167 PolarHBondContact N-OE2 3.11Å; A164-E167 VanDerWaalsContact O-CB 3.32Å; A164-E167 WeakPolarHBondContact O-CB 3.41Å; A164-E167 PolarHBondContact O-N 2.89Å; A164-C180 WeakPolarHBondContact O-CB 3.22Å
165I88.1Confident86.1Confident80 Ų8067.3 Ų67.341%0.4141%0.405SS..THydrogen-bonded Turntrans-61.1128.6175.3-64.2150.5000109.1E182I165-E182 HydrophobicContact CD1-CG 4.09Å; I165-E182 HydrophobicContact CG1-CG 4.47Å; I165-E182 HydrophobicContact CG2-CG 3.96Å
166G85.6Confident86Confident53 Ų5367.8 Ų67.855%0.54641%0.409SS..THydrogen-bonded Turntrans94.1-11.6-17300000114.9A164 L179 C180A164-G166 PolarHBondContact O-N 2.85Å; G166-L179 WeakPolarHBondContact O-CD1 3.21Å; G166-C180 PolarHBondContact N-O 3.01Å
167E88.4Confident86Confident92 Ų9267.6 Ų67.643%0.4341%0.409SS..  trans-79152.4176.1-63.9-168.413400112.6Y163 A164 C180Y163-E167 WeakPolarHBondContact CA-OE2 3.31Å; A164-E167 HydrophobicContact CB-CG 4.05Å; A164-E167 PolarHBondContact N-OE2 3.11Å; A164-E167 VanDerWaalsContact O-CB 3.32Å; A164-E167 WeakPolarHBondContact O-CB 3.41Å; A164-E167 PolarHBondContact O-N 2.89Å; E167-C180 PolarHBondContact O-N 3.24Å
168K89Confident86.1Confident167 Ų16766.3 Ų66.373%0.72640%0.402SS*.EExtended strand (participates in β ladder)trans-103.9127.8173.7-67.4-173-180-172.60110.2C178 L179K168-C178 VanDerWaalsContact CA-O 3.3Å; K168-C178 WeakPolarHBondContact CA-O 3.44Å; K168-L179 HydrophobicContact CG-CD1 3.77Å
169F88.2Confident86.3Confident9 Ų962.3 Ų62.34%0.03939%0.385CS..EExtended strand (participates in β ladder)trans-143.4162.4-178.177.5-72.6000111.8C155 D157 Y163 P171 P177 C178 C180 P185C155-F169 HydrophobicContact CB-CD1 4.45Å; C155-F169 HydrophobicContact CB-CE1 3.45Å; C155-F169 VanDerWaalsContact CB-CE1 3.45Å; C155-F169 HydrophobicContact CB-CE2 4.31Å; C155-F169 HydrophobicContact CB-CZ 3.36Å; D157-F169 HydrophobicContact CB-CD2 4.21Å; D157-F169 HydrophobicContact CB-CE2 4.28Å; Y163-F169 HydrophobicContact CD1-CB 3.6Å; Y163-F169 HydrophobicContact CD1-CG 4.27Å; Y163-F169 HydrophobicContact CD2-CB 3.52Å; Y163-F169 HydrophobicContact CD2-CD1 4.15Å; Y163-F169 AromaticContact CD2-CD2 3.33Å; Y163-F169 HydrophobicContact CD2-CD2 3.33Å; Y163-F169 HydrophobicContact CD2-CE2 4.02Å; Y163-F169 AromaticContact CD2-CG 3.41Å; Y163-F169 HydrophobicContact CD2-CG 3.41Å; Y163-F169 VanDerWaalsContact CD2-CG 3.41Å; Y163-F169 HydrophobicContact CE1-CB 3.55Å; Y163-F169 HydrophobicContact CE2-CB 3.47Å; Y163-F169 VanDerWaalsContact CE2-CB 3.47Å; Y163-F169 AromaticContact CE2-CD2 3.43Å; Y163-F169 HydrophobicContact CE2-CD2 3.43Å; Y163-F169 VanDerWaalsContact CE2-CD2 3.43Å; Y163-F169 HydrophobicContact CE2-CE2 4.36Å; Y163-F169 AromaticContact CE2-CG 3.7Å; Y163-F169 HydrophobicContact CE2-CG 3.7Å; Y163-F169 HydrophobicContact CG-CB 3.57Å; Y163-F169 HydrophobicContact CG-CD1 4.16Å; Y163-F169 HydrophobicContact CG-CD2 4.13Å; Y163-F169 AromaticContact CG-CG 3.71Å; Y163-F169 HydrophobicContact CG-CG 3.71Å; Y163-F169 VanDerWaalsContact CZ-CB 3.47Å; F169-P171 HydrophobicContact CD2-CG 4.2Å; F169-P171 HydrophobicContact CE2-CB 3.93Å; F169-P171 HydrophobicContact CE2-CG 3.6Å; F169-P171 HydrophobicContact CZ-CG 3.92Å; F169-P177 CarbonylContact O-C 3.59Å; F169-P177 WeakPolarHBondContact O-CA 3.29Å; F169-C178 HydrophobicContact CE1-CB 4.31Å; F169-C178 PolarHBondContact N-O 3.19Å; F169-C178 PolarHBondContact O-N 3.31Å; F169-C180 HydrophobicContact CD1-CB 4.41Å; F169-C180 HydrophobicContact CE1-CB 4.11Å; F169-P185 HydrophobicContact CE1-CB 4Å; F169-P185 HydrophobicContact CZ-CB 3.84Å
170A88.1Confident86.5Confident49 Ų4957.7 Ų57.741%0.40535%0.353SS..  trans-107.9110.3172.300000108G172A170-G172 PolarHBondContact O-N 3.46Å; A170-G172 VanDerWaalsContact O-N 3.14Å
171P85.3Confident86.7Confident27 Ų2756.8 Ų56.818%0.17534%0.338CS..SBendtrans-60.3-24.2-175.7-23.930.1000114.9E158 F169 A175 C178E158-P171 WeakPolarHBondContact CB-O 3.22Å; E158-P171 VanDerWaalsContact CG-O 3.29Å; E158-P171 WeakPolarHBondContact CG-O 3.02Å; E158-P171 PolarHBondContact N-O 3.12Å; F169-P171 HydrophobicContact CD2-CG 4.2Å; F169-P171 HydrophobicContact CE2-CB 3.93Å; F169-P171 HydrophobicContact CE2-CG 3.6Å; F169-P171 HydrophobicContact CZ-CG 3.92Å; P171-A175 HydrophobicContact CB-CB 4.23Å; P171-A175 HydrophobicContact CG-CB 4.27Å; P171-C178 VanDerWaalsContact CD-SG 3.52Å; P171-C178 HydrophobicContact CG-CB 4.41Å; P171-C178 VanDerWaalsContact CG-SG 3.56Å
172G83.5Confident86.6Confident11 Ų1159.5 Ų59.511%0.11335%0.352CS..SBendtrans-165.6171.1-177.600000110.5E158 A170 S174 A175E158-G172 WeakPolarHBondContact OE2-CA 3.42Å; A170-G172 PolarHBondContact O-N 3.46Å; A170-G172 VanDerWaalsContact O-N 3.14Å; G172-S174 PolarHBondContact O-N 2.03Å; G172-A175 WeakPolarHBondContact O-CB 3.09Å; G172-A175 PolarHBondContact O-N 2.96Å
173P76.5Confident86.4Confident94 Ų9464.5 Ų64.561%0.6137%0.37SS*.THydrogen-bonded Turntrans-63.5-40.4-171.624-32.5000113.2E158 A175 S205 Q206E158-P173 VanDerWaalsContact OE2-CD 3.28Å; E158-P173 WeakPolarHBondContact OE2-CD 3.07Å; P173-A175 VanDerWaalsContact C-N 3.33Å; P173-S205 CarbonylContact C-O 3.59Å; P173-S205 VanDerWaalsContact C-O 3.24Å; P173-Q206 WeakPolarHBondContact O-CA 3.41Å
174S76.3Confident86.2Confident73 Ų7362.9 Ų62.951%0.5137%0.37SS..THydrogen-bonded Turntrans-83.9-4.9175.253.50000113.9G172 T204G172-S174 PolarHBondContact O-N 2.03Å; S174-T204 WeakPolarHBondContact CB-O 3.34Å
175A82.9Confident86.1Confident31 Ų3163.7 Ų63.726%0.25637%0.37SS..SBendtrans-84.5146.8-17900000111.4P171 G172 P173P171-A175 HydrophobicContact CB-CB 4.23Å; P171-A175 HydrophobicContact CG-CB 4.27Å; G172-A175 WeakPolarHBondContact O-CB 3.09Å; G172-A175 PolarHBondContact O-N 2.96Å; P173-A175 VanDerWaalsContact C-N 3.33Å
176C86.1Confident86.1Confident18 Ų1864.7 Ų64.712%0.12238%0.376CS..  trans-79.8160.4175.5-68.90000112.5C178 P190 C207C176-C178 PolarHBondContact O-N 3.18Å; C176-C178 VanDerWaalsContact O-N 3.07Å; C176-C178 PolarHBondContact O-SG 2.9Å; C176-P190 VanDerWaalsContact SG-CD 3.57Å; C176-C207 WeakPolarHBondContact CA-SG 3.24Å; C176-C207 HydrophobicContact CB-CB 3.94Å; C176-C207 WeakPolarHBondContact CB-SG 3.46Å; C176-C207 WeakPolarHBondContact SG-CB 3.41Å; C176-C207 CovalentContact SG-SG 2.04Å; C176-C207 PolarHBondContact SG-SG 2.93Å
177P87.8Confident86.2Confident83 Ų8365.6 Ų65.654%0.53937%0.373SS..  trans-60.7113.3175-22.334000110.7F169F169-P177 CarbonylContact O-C 3.59Å; F169-P177 WeakPolarHBondContact O-CA 3.29Å
178C89.8Confident85.7Confident1 Ų164.9 Ų64.91%0.00738%0.383CS..EExtended strand (participates in β ladder)trans-99.9149.8178.3-46.70000110K168 F169 P171 C176 P185 L186 C187K168-C178 VanDerWaalsContact CA-O 3.3Å; K168-C178 WeakPolarHBondContact CA-O 3.44Å; F169-C178 HydrophobicContact CE1-CB 4.31Å; F169-C178 PolarHBondContact N-O 3.19Å; F169-C178 PolarHBondContact O-N 3.31Å; P171-C178 VanDerWaalsContact CD-SG 3.52Å; P171-C178 HydrophobicContact CG-CB 4.41Å; P171-C178 VanDerWaalsContact CG-SG 3.56Å; C176-C178 PolarHBondContact O-N 3.18Å; C176-C178 VanDerWaalsContact O-N 3.07Å; C176-C178 PolarHBondContact O-SG 2.9Å; C178-P185 HydrophobicContact CB-CB 4.09Å; C178-L186 WeakPolarHBondContact CA-O 3.27Å; C178-C187 HydrophobicContact CB-CB 3.96Å; C178-C187 WeakPolarHBondContact CB-SG 2.99Å; C178-C187 WeakPolarHBondContact SG-CB 3.01Å; C178-C187 CovalentContact SG-SG 2.03Å; C178-C187 PolarHBondContact SG-SG 3.49Å
179L91Very high84.9Confident68 Ų6864.6 Ų64.636%0.35638%0.384SS..EExtended strand (participates in β ladder)trans-91.9129.2167.1-173.575.2000108.5G166 K168 T181 L186G166-L179 WeakPolarHBondContact O-CD1 3.21Å; K168-L179 HydrophobicContact CG-CD1 3.77Å; L179-T181 HydrophobicContact CD2-CG2 4.21Å; L179-T181 HydrophobicContact CG-CG2 4.47Å; L179-T181 PolarHBondContact O-N 2.97Å; L179-L186 PolarHBondContact N-O 2.04Å; L179-L186 PolarHBondContact O-N 2.03Å
180C90.8Very high84.6Confident1 Ų166.8 Ų66.81%0.00740%0.399CS..EExtended strand (participates in β ladder)trans-75.7123.5171.4-170.90000110.6C155 A164 G166 E167 F169C155-C180 HydrophobicContact CB-CB 3.79Å; C155-C180 WeakPolarHBondContact CB-SG 3.43Å; C155-C180 PolarHBondContact N-SG 2.94Å; C155-C180 WeakPolarHBondContact SG-CA 3.3Å; C155-C180 WeakPolarHBondContact SG-CB 3.29Å; C155-C180 CovalentContact SG-SG 2.04Å; C155-C180 PolarHBondContact SG-SG 3.19Å; A164-C180 WeakPolarHBondContact O-CB 3.22Å; G166-C180 PolarHBondContact N-O 3.01Å; E167-C180 PolarHBondContact O-N 3.24Å; F169-C180 HydrophobicContact CD1-CB 4.41Å; F169-C180 HydrophobicContact CE1-CB 4.11Å
181T89.3Confident84.4Confident32 Ų3274 Ų7420%0.19643%0.425CS..EExtended strand (participates in β ladder)trans-119.4172.3172.7730000110.9L179 E183 G184 L186L179-T181 HydrophobicContact CD2-CG2 4.21Å; L179-T181 HydrophobicContact CG-CG2 4.47Å; L179-T181 PolarHBondContact O-N 2.97Å; T181-E183 PolarHBondContact O-N 2.72Å; T181-E183 PolarHBondContact OG1-N 3.05Å; T181-G184 PolarHBondContact N-O 2.88Å; T181-G184 PolarHBondContact O-N 3.15Å; T181-G184 VanDerWaalsContact O-N 3.08Å; T181-G184 PolarHBondContact OG1-O 2.65Å; T181-L186 HydrophobicContact CG2-CB 4.38Å; T181-L186 HydrophobicContact CG2-CD1 3.58Å; T181-L186 HydrophobicContact CG2-CG 3.79Å
182E85.6Confident84.4Confident173 Ų17374.3 Ų74.381%0.80843%0.427SS*.THydrogen-bonded Turntrans-62.5-23.2177.6-56.7-168152.900113.1I165I165-E182 HydrophobicContact CD1-CG 4.09Å; I165-E182 HydrophobicContact CG1-CG 4.47Å; I165-E182 HydrophobicContact CG2-CG 3.96Å
183E84.9Confident84.6Confident188 Ų18877.9 Ų77.988%0.87945%0.448SS*.THydrogen-bonded Turntrans-90.6-11.6176.4-60.9-176.6166.100113.1T181T181-E183 PolarHBondContact O-N 2.72Å; T181-E183 PolarHBondContact OG1-N 3.05Å
184G83.4Confident84.9Confident20 Ų2085.1 Ų85.121%0.20646%0.463CS..EExtended strand (participates in β ladder)trans131.8-167.6179.900000114.4T181 L186T181-G184 PolarHBondContact N-O 2.88Å; T181-G184 PolarHBondContact O-N 3.15Å; T181-G184 VanDerWaalsContact O-N 3.08Å; T181-G184 PolarHBondContact OG1-O 2.65Å; G184-L186 PolarHBondContact O-N 3.4Å
185P88.1Confident85.3Confident67 Ų6784.9 Ų84.944%0.43546%0.456SS..EExtended strand (participates in β ladder)trans-76.4112.6179.629.2-33.2000112.1F169 C178 C187F169-P185 HydrophobicContact CE1-CB 4Å; F169-P185 HydrophobicContact CZ-CB 3.84Å; C178-P185 HydrophobicContact CB-CB 4.09Å; P185-C187 PolarHBondContact O-N 3.47Å
186L88.3Confident85.3Confident102 Ų10287.4 Ų87.453%0.53446%0.462SS..EExtended strand (participates in β ladder)trans-87.298.6171.2-64.9-172.4000110.5C178 L179 T181 G184C178-L186 WeakPolarHBondContact CA-O 3.27Å; L179-L186 PolarHBondContact N-O 2.04Å; L179-L186 PolarHBondContact O-N 2.03Å; T181-L186 HydrophobicContact CG2-CB 4.38Å; T181-L186 HydrophobicContact CG2-CD1 3.58Å; T181-L186 HydrophobicContact CG2-CG 3.79Å; G184-L186 PolarHBondContact O-N 3.4Å
187C86.6Confident85Confident72 Ų7292.7 Ų92.749%0.48650%0.497SS..EExtended strand (participates in β ladder)trans-92.5102.8177.5-50.50000110.4C178 P185C178-C187 HydrophobicContact CB-CB 3.96Å; C178-C187 WeakPolarHBondContact CB-SG 2.99Å; C178-C187 WeakPolarHBondContact SG-CB 3.01Å; C178-C187 CovalentContact SG-SG 2.03Å; C178-C187 PolarHBondContact SG-SG 3.49Å; P185-C187 PolarHBondContact O-N 3.47Å
188A78.6Confident84.6Confident76 Ų7689.5 Ų89.563%0.62847%0.474SS*.PPolyproline II helixtrans-81.3128.9166.700000109.1P190A188-P190 VanDerWaalsContact O-CD 3.3Å; A188-P190 WeakPolarHBondContact O-CD 3.47Å
189Q72.6Confident84.4Confident162 Ų16290.9 Ų90.976%0.75748%0.483SS*.PPolyproline II helixtrans-69.8118.1170.4-173173.216.400108.3
190P81.4Confident84.2Confident55 Ų5591.1 Ų91.136%0.35748%0.484SS..PPolyproline II helixtrans-69.3163.1174.931.2-34.5000110.2C176 A188 C192 C207C176-P190 VanDerWaalsContact SG-CD 3.57Å; A188-P190 VanDerWaalsContact O-CD 3.3Å; A188-P190 WeakPolarHBondContact O-CD 3.47Å; P190-C192 PolarHBondContact O-N 3.29Å; P190-C207 VanDerWaalsContact CG-SG 3.57Å
191E84.2Confident83.9Confident201 Ų20196 Ų9694%0.93951%0.507SS*.  trans-69.681.9175.9-71.8157164.900110.3
192C84.9Confident84Confident33 Ų3397.8 Ų97.822%0.22352%0.517CS..PPolyproline II helixtrans-65.8143.9-177.9-70.20000111.8P190 R194 C208P190-C192 PolarHBondContact O-N 3.29Å; C192-R194 PolarHBondContact O-N 3.35Å; C192-C208 WeakPolarHBondContact CA-SG 3.27Å; C192-C208 HydrophobicContact CB-CB 3.72Å; C192-C208 WeakPolarHBondContact CB-SG 3.38Å; C192-C208 WeakPolarHBondContact SG-CA 3.49Å; C192-C208 WeakPolarHBondContact SG-CB 3.25Å; C192-C208 CovalentContact SG-SG 2.05Å; C192-C208 PolarHBondContact SG-SG 2.83Å
193P86.4Confident84.1Confident86 Ų8691.4 Ų91.456%0.55849%0.489SS*.PPolyproline II helixtrans-61.9138.7179.226.4-35.1000111.2L195P193-L195 PolarHBondContact O-N 3.06Å
194R83.8Confident84.2Confident246 Ų24687 Ų8793%0.92848%0.475SS*.PPolyproline II helixtrans-67.5123.3174.5-64.6-175.3681730.9109.7C192C192-R194 PolarHBondContact O-N 3.35Å
195L85.5Confident84.2Confident68 Ų6889 Ų8936%0.35649%0.485SS..PPolyproline II helixtrans-61.3144.6175.1-69.6168.1000111.4P193 V202 P209 C211P193-L195 PolarHBondContact O-N 3.06Å; L195-V202 HydrophobicContact CD1-CB 4.46Å; L195-V202 HydrophobicContact CD1-CG1 3.69Å; L195-V202 HydrophobicContact CD1-CG2 3.84Å; L195-V202 HydrophobicContact CD2-CG1 4.36Å; L195-P209 HydrophobicContact CD1-CB 4.17Å; L195-P209 HydrophobicContact CD1-CG 4.21Å; L195-P209 WeakPolarHBondContact CD2-O 3.35Å; L195-C211 HydrophobicContact CD2-CB 4.13Å
196H82.6Confident84.1Confident83 Ų8390.3 Ų90.338%0.38449%0.486SS..PPolyproline II helixtrans-69.6136.1178-165.8-89.3000110.9R198 C199H196-R198 WeakPolarHBondContact ND1-CB 3.25Å; H196-R198 PolarHBondContact ND1-N 3.14Å; H196-R198 PolarHBondContact O-N 2.79Å; H196-R198 VanDerWaalsContact O-N 3.08Å; H196-C199 WeakPolarHBondContact O-CB 3.24Å; H196-C199 PolarHBondContact O-N 2.84Å
197P80.2Confident83.9Confident130 Ų13087 Ų8784%0.84447%0.471SS*.THydrogen-bonded Turntrans-57.8-27.1-178.3-27.435.2000115C199P197-C199 PolarHBondContact O-N 2.98Å
198R78.4Confident83.9Confident16 Ų1684.9 Ų84.96%0.0646%0.456CS..THydrogen-bonded Turntrans-75.99.3173-58.8-174.791.9167.2-0.9114.8H196 I200 R214 K215 Y217 T227 E242 A243 N244 G245H196-R198 WeakPolarHBondContact ND1-CB 3.25Å; H196-R198 PolarHBondContact ND1-N 3.14Å; H196-R198 PolarHBondContact O-N 2.79Å; H196-R198 VanDerWaalsContact O-N 3.08Å; R198-I200 PolarHBondContact O-N 2.04Å; R198-R214 HydrophobicContact CB-CG 3.61Å; R198-K215 HydrophobicContact CB-CB 4.16Å; R198-K215 PolarHBondContact NE-O 3.12Å; R198-K215 PolarHBondContact NH2-O 2.99Å; R198-K215 WeakPolarHBondContact O-CB 3.02Å; R198-K215 PolarHBondContact O-N 2.85Å; R198-Y217 PolarHBondContact NH2-O 2.92Å; R198-T227 PolarHBondContact NH1-OG1 3.49Å; R198-T227 PolarHBondContact NH2-OG1 3.39Å; R198-E242 PolarHBondContact NH1-O 3.34Å; R198-A243 PolarHBondContact NH1-O 2.95Å; R198-N244 WeakPolarHBondContact CD-O 3.45Å; R198-N244 WeakPolarHBondContact CG-O 3.42Å; R198-N244 PolarHBondContact NE-O 3.41Å; R198-G245 VanDerWaalsContact NH1-N 3.19Å
199C86.3Confident84.3Confident30 Ų3083.1 Ų83.120%0.20344%0.438CS..EExtended strand (participates in β ladder)trans-70.6127.2-177.3-157.60000111.5H196 P197 H201 V202 C211H196-C199 WeakPolarHBondContact O-CB 3.24Å; H196-C199 PolarHBondContact O-N 2.84Å; P197-C199 PolarHBondContact O-N 2.98Å; C199-H201 PolarHBondContact SG-O 2.85Å; C199-H201 VanDerWaalsContact SG-O 3.34Å; C199-V202 HydrophobicContact CB-CG2 4.45Å; C199-C211 WeakPolarHBondContact CA-SG 3.28Å; C199-C211 HydrophobicContact CB-CB 4.02Å; C199-C211 WeakPolarHBondContact CB-SG 3.01Å; C199-C211 WeakPolarHBondContact SG-CA 3.26Å; C199-C211 WeakPolarHBondContact SG-CB 3.28Å; C199-C211 CovalentContact SG-SG 2.04Å; C199-C211 PolarHBondContact SG-SG 2.99Å
200I85.7Confident85.1Confident72 Ų7280 Ų8037%0.36942%0.424SS..EExtended strand (participates in β ladder)trans-93.3-50172.7-57.5176.8000109.2R198 E213 K215 Y217R198-I200 PolarHBondContact O-N 2.04Å; I200-E213 PolarHBondContact N-O 3.04Å; I200-K215 HydrophobicContact CD1-CB 3.86Å; I200-K215 HydrophobicContact CD1-CG 4.13Å; I200-K215 HydrophobicContact CG1-CB 3.89Å; I200-K215 HydrophobicContact CG1-CG 4.47Å; I200-Y217 HydrophobicContact CD1-CE1 4.23Å
201H85.9Confident85.5Confident105 Ų10579.7 Ų79.749%0.48642%0.423SS..EExtended strand (participates in β ladder)trans-116.9111.8-178.1-70.4-68.7000110.8C199 K212 E213C199-H201 PolarHBondContact SG-O 2.85Å; C199-H201 VanDerWaalsContact SG-O 3.34Å; H201-K212 PolarHBondContact O-N 2.87Å; H201-E213 HydrophobicContact CB-CB 4.11Å; H201-E213 IonicContact CD2-OE2 3.18Å; H201-E213 PolarHBondContact CD2-OE2 2.86Å; H201-E213 PolarHBondContact N-O 2.79Å; H201-E213 PolarHBondContact O-N 2.81Å
202V89.6Confident85.6Confident69 Ų6977.6 Ų77.642%0.41841%0.41SS..EExtended strand (participates in β ladder)trans-90128.6171.4-175.90000108.5L195 C199 T204 P209 Q210L195-V202 HydrophobicContact CD1-CB 4.46Å; L195-V202 HydrophobicContact CD1-CG1 3.69Å; L195-V202 HydrophobicContact CD1-CG2 3.84Å; L195-V202 HydrophobicContact CD2-CG1 4.36Å; C199-V202 HydrophobicContact CB-CG2 4.45Å; V202-T204 HydrophobicContact CG1-CG2 4.12Å; V202-P209 HydrophobicContact CG1-CB 3.7Å; V202-Q210 CarbonylContact C-O 3.48Å; V202-Q210 WeakPolarHBondContact CA-O 3.01Å
203D89.1Confident85.6Confident39 Ų3980.9 Ų80.921%0.20942%0.422CS..EExtended strand (participates in β ladder)trans-96.2118.9172.6-158.4-32.2000108.8S205 P209 Q210 K212D203-S205 WeakPolarHBondContact OD1-CB 3.3Å; D203-S205 PolarHBondContact OD1-N 3.38Å; D203-S205 VanDerWaalsContact OD1-N 3.08Å; D203-S205 PolarHBondContact OD1-OG 2.9Å; D203-P209 WeakPolarHBondContact O-CA 3.39Å; D203-Q210 PolarHBondContact N-O 2.8Å; D203-Q210 PolarHBondContact O-N 2.77Å; D203-K212 HydrophobicContact CB-CB 4.28Å; D203-K212 HydrophobicContact CB-CD 4.37Å; D203-K212 IonicContact OD2-NZ 2.87Å; D203-K212 PolarHBondContact OD2-NZ 2.73Å
204T85.9Confident85.5Confident96 Ų9682.2 Ų82.259%0.58942%0.416SS*.  trans-110.119.3179.162.80000111.9S174 V202 Q206 P209S174-T204 WeakPolarHBondContact CB-O 3.34Å; V202-T204 HydrophobicContact CG1-CG2 4.12Å; T204-Q206 PolarHBondContact O-N 3.47Å; T204-P209 HydrophobicContact CG2-CB 4.37Å
205S85Confident85.5Confident61 Ų6173 Ų7343%0.42738%0.383SS..SBendtrans-71.6-4.9175.958.80000114.3P173 D203P173-S205 CarbonylContact C-O 3.59Å; P173-S205 VanDerWaalsContact C-O 3.24Å; D203-S205 WeakPolarHBondContact OD1-CB 3.3Å; D203-S205 PolarHBondContact OD1-N 3.38Å; D203-S205 VanDerWaalsContact OD1-N 3.08Å; D203-S205 PolarHBondContact OD1-OG 2.9Å
206Q84.4Confident85.5Confident95 Ų9573.8 Ų73.844%0.44439%0.387SS..SBendtrans-127.4155.2178.7-66.6170.960.300109.6P173 T204 C208P173-Q206 WeakPolarHBondContact O-CA 3.41Å; T204-Q206 PolarHBondContact O-N 3.47Å; Q206-C208 PolarHBondContact O-N 3.06Å; Q206-C208 VanDerWaalsContact O-N 3.09Å
207C84.4Confident85.8Confident32 Ų3274 Ų7422%0.21639%0.385CS..SBendtrans-38-47.1172.41630000115.2C176 P190C176-C207 WeakPolarHBondContact CA-SG 3.24Å; C176-C207 HydrophobicContact CB-CB 3.94Å; C176-C207 WeakPolarHBondContact CB-SG 3.46Å; C176-C207 WeakPolarHBondContact SG-CB 3.41Å; C176-C207 CovalentContact SG-SG 2.04Å; C176-C207 PolarHBondContact SG-SG 2.93Å; P190-C207 VanDerWaalsContact CG-SG 3.57Å
208C87.3Confident86.4Confident27 Ų2767.8 Ų67.818%0.18235%0.345CS..SBendtrans-104.4130.2174.9-71.90000110.4C192 Q206C192-C208 WeakPolarHBondContact CA-SG 3.27Å; C192-C208 HydrophobicContact CB-CB 3.72Å; C192-C208 WeakPolarHBondContact CB-SG 3.38Å; C192-C208 WeakPolarHBondContact SG-CA 3.49Å; C192-C208 WeakPolarHBondContact SG-CB 3.25Å; C192-C208 CovalentContact SG-SG 2.05Å; C192-C208 PolarHBondContact SG-SG 2.83Å; Q206-C208 PolarHBondContact O-N 3.06Å; Q206-C208 VanDerWaalsContact O-N 3.09Å
209P87.5Confident87Confident39 Ų3972.7 Ų72.725%0.25337%0.369SS..  trans-68.4136.8-17929.8-35.6000110.6L195 V202 D203 T204L195-P209 HydrophobicContact CD1-CB 4.17Å; L195-P209 HydrophobicContact CD1-CG 4.21Å; L195-P209 WeakPolarHBondContact CD2-O 3.35Å; V202-P209 HydrophobicContact CG1-CB 3.7Å; D203-P209 WeakPolarHBondContact O-CA 3.39Å; T204-P209 HydrophobicContact CG2-CB 4.37Å
210Q88.4Confident87.3Confident97 Ų9773.3 Ų73.345%0.45337%0.368SS..EExtended strand (participates in β ladder)trans-117.2148.8178.9-67.5-174.1-13.800110.9V202 D203 K212V202-Q210 CarbonylContact C-O 3.48Å; V202-Q210 WeakPolarHBondContact CA-O 3.01Å; D203-Q210 PolarHBondContact N-O 2.8Å; D203-Q210 PolarHBondContact O-N 2.77Å; Q210-K212 PolarHBondContact O-N 2.9Å
211C89.4Confident87.6Confident49 Ų4978.1 Ų78.133%0.33138%0.381SS..EExtended strand (participates in β ladder)trans-85.7113.3173.7-168.80000110.3L195 C199 E213L195-C211 HydrophobicContact CD2-CB 4.13Å; C199-C211 WeakPolarHBondContact CA-SG 3.28Å; C199-C211 HydrophobicContact CB-CB 4.02Å; C199-C211 WeakPolarHBondContact CB-SG 3.01Å; C199-C211 WeakPolarHBondContact SG-CA 3.26Å; C199-C211 WeakPolarHBondContact SG-CB 3.28Å; C199-C211 CovalentContact SG-SG 2.04Å; C199-C211 PolarHBondContact SG-SG 2.99Å; C211-E213 PolarHBondContact SG-O 2.96Å
212K87.7Confident87.8Confident156 Ų15676.4 Ų76.468%0.67839%0.392SS*.EExtended strand (participates in β ladder)trans-86.4-35.8-179-170.1169.8-160.3151.40112.6H201 D203 Q210H201-K212 PolarHBondContact O-N 2.87Å; D203-K212 HydrophobicContact CB-CB 4.28Å; D203-K212 HydrophobicContact CB-CD 4.37Å; D203-K212 IonicContact OD2-NZ 2.87Å; D203-K212 PolarHBondContact OD2-NZ 2.73Å; Q210-K212 PolarHBondContact O-N 2.9Å
213E84.7Confident87.9Confident102 Ų10279.5 Ų79.548%0.47740%0.4SS..EExtended strand (participates in β ladder)trans-134.7127.9175.6-171171.8-17700111.3I200 H201 C211I200-E213 PolarHBondContact N-O 3.04Å; H201-E213 HydrophobicContact CB-CB 4.11Å; H201-E213 IonicContact CD2-OE2 3.18Å; H201-E213 PolarHBondContact CD2-OE2 2.86Å; H201-E213 PolarHBondContact N-O 2.79Å; H201-E213 PolarHBondContact O-N 2.81Å; C211-E213 PolarHBondContact SG-O 2.96Å
214R84.3Confident88.1Confident115 Ų11582.2 Ų82.243%0.43442%0.418SS..EExtended strand (participates in β ladder)trans-102.9134.6176.4-168.317867.6-177.8-2.7109.4R198 N216R198-R214 HydrophobicContact CB-CG 3.61Å; R214-N216 PolarHBondContact O-N 2.02Å; R214-N216 VanDerWaalsContact O-N 3.09Å; R214-N216 PolarHBondContact O-ND2 3.31Å
215K83.8Confident88.4Confident53 Ų5379.2 Ų79.223%0.2340%0.396CS..  trans-53117.6170.5-161.8-175.7-174.8175.10108.2R198 I200 Y217R198-K215 HydrophobicContact CB-CB 4.16Å; R198-K215 PolarHBondContact NE-O 3.12Å; R198-K215 PolarHBondContact NH2-O 2.99Å; R198-K215 WeakPolarHBondContact O-CB 3.02Å; R198-K215 PolarHBondContact O-N 2.85Å; I200-K215 HydrophobicContact CD1-CB 3.86Å; I200-K215 HydrophobicContact CD1-CG 4.13Å; I200-K215 HydrophobicContact CG1-CB 3.89Å; I200-K215 HydrophobicContact CG1-CG 4.47Å; K215-Y217 HydrophobicContact CD-CE1 4.49Å; K215-Y217 HydrophobicContact CD-CE2 4.32Å; K215-Y217 WeakPolarHBondContact CD-O 3.23Å; K215-Y217 VanDerWaalsContact CE-CD2 3.5Å; K215-Y217 VanDerWaalsContact CE-CZ 3.46Å; K215-Y217 WeakPolarHBondContact CE-O 3.46Å; K215-Y217 HydrophobicContact CG-CD1 3.79Å; K215-Y217 HydrophobicContact CG-CD2 4.38Å; K215-Y217 HydrophobicContact CG-CE1 3.61Å; K215-Y217 HydrophobicContact CG-CE2 4.26Å; K215-Y217 HydrophobicContact CG-CG 4.17Å; K215-Y217 WeakPolarHBondContact CG-O 3.12Å
216N85.3Confident88.8Confident83 Ų8382 Ų8244%0.44440%0.403SS..  trans-106.713.6177.1-66.8-42.5000112.3R214 T227R214-N216 PolarHBondContact O-N 2.02Å; R214-N216 VanDerWaalsContact O-N 3.09Å; R214-N216 PolarHBondContact O-ND2 3.31Å; N216-T227 WeakPolarHBondContact O-CB 3.41Å; N216-T227 PolarHBondContact O-N 3.29Å; N216-T227 PolarHBondContact O-OG1 2.93Å
217Y89.1Confident89.2Confident87 Ų8779.7 Ų79.734%0.34140%0.395SS..EExtended strand (participates in β ladder)trans-125.6159.1173.862.4-82.4000110.7R198 I200 K215 T224 Y225R198-Y217 PolarHBondContact NH2-O 2.92Å; I200-Y217 HydrophobicContact CD1-CE1 4.23Å; K215-Y217 HydrophobicContact CD-CE1 4.49Å; K215-Y217 HydrophobicContact CD-CE2 4.32Å; K215-Y217 WeakPolarHBondContact CD-O 3.23Å; K215-Y217 VanDerWaalsContact CE-CD2 3.5Å; K215-Y217 VanDerWaalsContact CE-CZ 3.46Å; K215-Y217 WeakPolarHBondContact CE-O 3.46Å; K215-Y217 HydrophobicContact CG-CD1 3.79Å; K215-Y217 HydrophobicContact CG-CD2 4.38Å; K215-Y217 HydrophobicContact CG-CE1 3.61Å; K215-Y217 HydrophobicContact CG-CE2 4.26Å; K215-Y217 HydrophobicContact CG-CG 4.17Å; K215-Y217 WeakPolarHBondContact CG-O 3.12Å; Y217-T224 HydrophobicContact CD2-CG2 3.79Å; Y217-T224 HydrophobicContact CE2-CG2 3.94Å; Y217-Y225 CarbonylContact C-O 3.56Å; Y217-Y225 WeakPolarHBondContact CA-O 3.01Å; Y217-Y225 VanDerWaalsContact CB-O 3.27Å; Y217-Y225 WeakPolarHBondContact CB-O 3.36Å
218C91.6Very high89.5Confident0 Ų082.5 Ų82.50%041%0.407CS..EExtended strand (participates in β ladder)trans-105.3163165.7-54.30000109.4T224 Y225 C241 G245 E246 V247C218-T224 VanDerWaalsContact O-CA 3.31Å; C218-T224 WeakPolarHBondContact O-CA 3.5Å; C218-Y225 PolarHBondContact N-O 2.81Å; C218-Y225 PolarHBondContact O-N 3.3Å; C218-C241 HydrophobicContact CB-CB 3.67Å; C218-C241 WeakPolarHBondContact CB-SG 3.36Å; C218-C241 PolarHBondContact N-SG 2.75Å; C218-C241 WeakPolarHBondContact SG-CA 3.09Å; C218-C241 WeakPolarHBondContact SG-CB 3.38Å; C218-C241 CovalentContact SG-SG 2.02Å; C218-C241 PolarHBondContact SG-SG 3.08Å; C218-G245 VanDerWaalsContact SG-C 3.5Å; C218-G245 PolarHBondContact SG-O 3.3Å; C218-E246 PolarHBondContact SG-O 3.31Å; C218-E246 VanDerWaalsContact SG-O 3.38Å; C218-V247 HydrophobicContact CB-CG2 3.48Å; C218-V247 VanDerWaalsContact CB-CG2 3.48Å
219E91.2Very high89.8Confident120 Ų12084.9 Ų84.956%0.56142%0.416SS*.EExtended strand (participates in β ladder)trans-128.7125.4175.4-171.9-179.9164.600108.8K223E219-K223 CarbonylContact C-O 3.58Å; E219-K223 WeakPolarHBondContact CA-O 3.05Å
220F93.1Very high90.2Very high42 Ų4288 Ų8818%0.18443%0.427CS..EExtended strand (participates in β ladder)trans-143.6125-175.4-176.1-96.4000110.2G222 K223 Y225 F231 V233 V247F220-G222 PolarHBondContact O-N 3.26Å; F220-G222 VanDerWaalsContact O-N 3.12Å; F220-K223 PolarHBondContact N-O 3.48Å; F220-K223 PolarHBondContact O-N 2.88Å; F220-Y225 HydrophobicContact CB-CD2 4.16Å; F220-Y225 HydrophobicContact CB-CE2 3.99Å; F220-F231 HydrophobicContact CB-CZ 4.06Å; F220-F231 AromaticContact CD1-CE2 3.58Å; F220-F231 HydrophobicContact CD1-CE2 3.58Å; F220-F231 AromaticContact CD1-CZ 3.83Å; F220-F231 HydrophobicContact CD1-CZ 3.83Å; F220-F231 AromaticContact CE1-CE2 3.95Å; F220-F231 HydrophobicContact CE1-CE2 3.95Å; F220-F231 HydrophobicContact CE1-CZ 4.45Å; F220-F231 HydrophobicContact CG-CE2 4.22Å; F220-F231 AromaticContact CG-CZ 3.99Å; F220-F231 HydrophobicContact CG-CZ 3.99Å; F220-V233 HydrophobicContact CD1-CG2 4.47Å; F220-V233 HydrophobicContact CE1-CG1 4.24Å; F220-V233 HydrophobicContact CE1-CG2 3.69Å; F220-V233 HydrophobicContact CZ-CG2 4.38Å; F220-V247 HydrophobicContact CB-CG2 4.08Å; F220-V247 HydrophobicContact CD2-CB 4.09Å; F220-V247 HydrophobicContact CD2-CG1 3.88Å; F220-V247 HydrophobicContact CD2-CG2 4.4Å; F220-V247 HydrophobicContact CE2-CG1 4.25Å; F220-V247 HydrophobicContact CG-CG1 4.28Å
221R91.9Very high90.5Very high173 Ų17384.1 Ų84.165%0.65341%0.409SS*.THydrogen-bonded Turntrans46.939.6-176.6-57.1-175.8-168.8-176.410.4113.2K223 V233 E237R221-K223 VanDerWaalsContact C-N 3.35Å; R221-K223 PolarHBondContact O-N 3.39Å; R221-V233 VanDerWaalsContact CZ-CG1 3.43Å; R221-V233 VanDerWaalsContact NH1-CG1 3.31Å; R221-E237 IonicContact CZ-OE1 2.77Å; R221-E237 IonicContact CZ-OE2 3.88Å; R221-E237 IonicContact NH2-OE1 2.92Å; R221-E237 PolarHBondContact NH2-OE1 3.36Å; R221-E237 IonicContact NH2-OE2 2.79Å; R221-E237 PolarHBondContact NH2-OE2 2.81Å
222G90.8Very high90.6Very high69 Ų6986 Ų8671%0.71142%0.418SS*.THydrogen-bonded Turntrans7710.8179.500000115.8F220F220-G222 PolarHBondContact O-N 3.26Å; F220-G222 VanDerWaalsContact O-N 3.12Å
223K91.9Very high90.8Very high135 Ų13580.6 Ų80.659%0.58740%0.398SS*.EExtended strand (participates in β ladder)trans-113144.4173-65.2-179.8179.3-179.30110.4E219 F220 R221 Y225E219-K223 CarbonylContact C-O 3.58Å; E219-K223 WeakPolarHBondContact CA-O 3.05Å; F220-K223 PolarHBondContact N-O 3.48Å; F220-K223 PolarHBondContact O-N 2.88Å; R221-K223 VanDerWaalsContact C-N 3.35Å; R221-K223 PolarHBondContact O-N 3.39Å; K223-Y225 HydrophobicContact CB-CD2 4.43Å; K223-Y225 HydrophobicContact CB-CE2 3.63Å; K223-Y225 WeakPolarHBondContact CD-OH 3.44Å
224T92.4Very high91.2Very high96 Ų9677.9 Ų77.959%0.58939%0.391SS*.EExtended strand (participates in β ladder)trans-98.9131.5175.352.30000111.3Y217 C218Y217-T224 HydrophobicContact CD2-CG2 3.79Å; Y217-T224 HydrophobicContact CE2-CG2 3.94Å; C218-T224 VanDerWaalsContact O-CA 3.31Å; C218-T224 WeakPolarHBondContact O-CA 3.5Å
225Y93.2Very high91.5Very high32 Ų3275.5 Ų75.513%0.12539%0.39CS..EExtended strand (participates in β ladder)trans-121.5142.7-179.1-63.6-85.1000109.9Y217 C218 F220 K223 E229 F231Y217-Y225 CarbonylContact C-O 3.56Å; Y217-Y225 WeakPolarHBondContact CA-O 3.01Å; Y217-Y225 VanDerWaalsContact CB-O 3.27Å; Y217-Y225 WeakPolarHBondContact CB-O 3.36Å; C218-Y225 PolarHBondContact N-O 2.81Å; C218-Y225 PolarHBondContact O-N 3.3Å; F220-Y225 HydrophobicContact CB-CD2 4.16Å; F220-Y225 HydrophobicContact CB-CE2 3.99Å; K223-Y225 HydrophobicContact CB-CD2 4.43Å; K223-Y225 HydrophobicContact CB-CE2 3.63Å; K223-Y225 WeakPolarHBondContact CD-OH 3.44Å; Y225-E229 WeakPolarHBondContact CD1-OE1 3.37Å; Y225-F231 HydrophobicContact CD1-CB 4.03Å; Y225-F231 AromaticContact CD1-CD1 3.36Å; Y225-F231 HydrophobicContact CD1-CD1 3.36Å; Y225-F231 HydrophobicContact CD1-CD2 4.33Å; Y225-F231 AromaticContact CD1-CE1 3.77Å; Y225-F231 HydrophobicContact CD1-CE1 3.77Å; Y225-F231 AromaticContact CD1-CG 3.66Å; Y225-F231 HydrophobicContact CD1-CG 3.66Å; Y225-F231 HydrophobicContact CD1-CZ 4.38Å; Y225-F231 HydrophobicContact CD2-CD1 4.16Å; Y225-F231 AromaticContact CD2-CE1 3.69Å; Y225-F231 HydrophobicContact CD2-CE1 3.69Å; Y225-F231 HydrophobicContact CD2-CE2 4.3Å; Y225-F231 AromaticContact CD2-CZ 3.74Å; Y225-F231 HydrophobicContact CD2-CZ 3.74Å; Y225-F231 HydrophobicContact CE1-CB 3.58Å; Y225-F231 AromaticContact CE1-CD1 3.55Å; Y225-F231 HydrophobicContact CE1-CD1 3.55Å; Y225-F231 AromaticContact CE1-CD2 3.65Å; Y225-F231 HydrophobicContact CE1-CD2 3.65Å; Y225-F231 HydrophobicContact CE1-CE1 4.04Å; Y225-F231 HydrophobicContact CE1-CE2 4.12Å; Y225-F231 AromaticContact CE1-CG 3.31Å; Y225-F231 HydrophobicContact CE1-CG 3.31Å; Y225-F231 HydrophobicContact CE1-CZ 4.28Å; Y225-F231 HydrophobicContact CE2-CD1 4.33Å; Y225-F231 HydrophobicContact CE2-CD2 4.13Å; Y225-F231 AromaticContact CE2-CE1 3.98Å; Y225-F231 HydrophobicContact CE2-CE1 3.98Å; Y225-F231 AromaticContact CE2-CE2 3.75Å; Y225-F231 HydrophobicContact CE2-CE2 3.75Å; Y225-F231 HydrophobicContact CE2-CG 4.39Å; Y225-F231 AromaticContact CE2-CZ 3.65Å; Y225-F231 HydrophobicContact CE2-CZ 3.65Å; Y225-F231 AromaticContact CG-CD1 3.68Å; Y225-F231 HydrophobicContact CG-CD1 3.68Å; Y225-F231 AromaticContact CG-CE1 3.56Å; Y225-F231 HydrophobicContact CG-CE1 3.56Å; Y225-F231 HydrophobicContact CG-CG 4.32Å; Y225-F231 HydrophobicContact CG-CZ 4.11Å; Y225-F231 AromaticContact CZ-CD2 3.52Å; Y225-F231 AromaticContact CZ-CE2 3.62Å; Y225-F231 AromaticContact CZ-CG 3.71Å; Y225-F231 AromaticContact CZ-CZ 3.91Å
226Q92.7Very high91.9Very high121 Ų12174.6 Ų74.657%0.56539%0.39SS*.EExtended strand (participates in β ladder)trans-73.3155.4179.5-63.8-62.2-20.400112L228 E229 C241Q226-L228 PolarHBondContact O-N 2.82Å; Q226-E229 HydrophobicContact CB-CB 4.29Å; Q226-E229 PolarHBondContact N-OE2 2.76Å; Q226-E229 WeakPolarHBondContact O-CB 3.49Å; Q226-E229 PolarHBondContact O-N 2.91Å; Q226-C241 WeakPolarHBondContact O-CB 3.35Å; Q226-C241 PolarHBondContact O-SG 2.8Å
227T92.1Very high92.3Very high45 Ų4572.2 Ų72.228%0.27638%0.376SS..THydrogen-bonded Turntrans-59.6131.3175.7-67.90000111.1R198 N216 E229 A243R198-T227 PolarHBondContact NH1-OG1 3.49Å; R198-T227 PolarHBondContact NH2-OG1 3.39Å; N216-T227 WeakPolarHBondContact O-CB 3.41Å; N216-T227 PolarHBondContact O-N 3.29Å; N216-T227 PolarHBondContact O-OG1 2.93Å; T227-E229 VanDerWaalsContact C-N 3.27Å; T227-E229 PolarHBondContact O-N 3.36Å; T227-A243 HydrophobicContact CG2-CB 4.23Å
228L91.8Very high92.6Very high91 Ų9173.3 Ų73.348%0.47638%0.38SS..THydrogen-bonded Turntrans70.42.7-171.7-49.3178.3000116.4Q226 E230 C241Q226-L228 PolarHBondContact O-N 2.82Å; L228-E230 PolarHBondContact O-N 3.08Å; L228-C241 WeakPolarHBondContact CA-O 3.45Å; L228-C241 PolarHBondContact N-O 2.92Å
229E93.9Very high92.8Very high77 Ų7773.4 Ų73.436%0.3638%0.38SS..  trans-66.8128.5174.1-168.8179.7156.300110.9Y225 Q226 T227 R240 C241Y225-E229 WeakPolarHBondContact CD1-OE1 3.37Å; Q226-E229 HydrophobicContact CB-CB 4.29Å; Q226-E229 PolarHBondContact N-OE2 2.76Å; Q226-E229 WeakPolarHBondContact O-CB 3.49Å; Q226-E229 PolarHBondContact O-N 2.91Å; T227-E229 VanDerWaalsContact C-N 3.27Å; T227-E229 PolarHBondContact O-N 3.36Å; E229-R240 WeakPolarHBondContact O-CA 3.21Å; E229-C241 PolarHBondContact O-N 3.48Å
230E94.4Very high93Very high105 Ų10572.4 Ų72.449%0.49137%0.371SS..EExtended strand (participates in β ladder)trans-101.5133.4171.7-165.1-167.5-177.200109.6L228 R238 C239 R240L228-E230 PolarHBondContact O-N 3.08Å; E230-R238 IonicContact OE1-CZ 2.84Å; E230-R238 IonicContact OE1-NE 3.99Å; E230-R238 PolarHBondContact OE1-NE 2.76Å; E230-R238 IonicContact OE1-NH2 3.57Å; E230-R238 PolarHBondContact OE1-NH2 3.48Å; E230-R238 IonicContact OE2-CZ 3.81Å; E230-R238 IonicContact OE2-NH2 2.81Å; E230-R238 PolarHBondContact OE2-NH2 2.7Å; E230-C239 CarbonylContact C-O 3.54Å; E230-C239 WeakPolarHBondContact CA-O 3Å; E230-C239 WeakPolarHBondContact CG-O 3.03Å; E230-R240 HydrophobicContact CB-CG 4.5Å; E230-R240 HydrophobicContact CG-CB 4.48Å
231F94.2Very high93Very high16 Ų1670.4 Ų70.47%0.0736%0.363CS..EExtended strand (participates in β ladder)trans-138.5145.9-177.960.4-87.8000111.7F220 Y225 V233 C239 V247F220-F231 HydrophobicContact CB-CZ 4.06Å; F220-F231 AromaticContact CD1-CE2 3.58Å; F220-F231 HydrophobicContact CD1-CE2 3.58Å; F220-F231 AromaticContact CD1-CZ 3.83Å; F220-F231 HydrophobicContact CD1-CZ 3.83Å; F220-F231 AromaticContact CE1-CE2 3.95Å; F220-F231 HydrophobicContact CE1-CE2 3.95Å; F220-F231 HydrophobicContact CE1-CZ 4.45Å; F220-F231 HydrophobicContact CG-CE2 4.22Å; F220-F231 AromaticContact CG-CZ 3.99Å; F220-F231 HydrophobicContact CG-CZ 3.99Å; Y225-F231 HydrophobicContact CD1-CB 4.03Å; Y225-F231 AromaticContact CD1-CD1 3.36Å; Y225-F231 HydrophobicContact CD1-CD1 3.36Å; Y225-F231 HydrophobicContact CD1-CD2 4.33Å; Y225-F231 AromaticContact CD1-CE1 3.77Å; Y225-F231 HydrophobicContact CD1-CE1 3.77Å; Y225-F231 AromaticContact CD1-CG 3.66Å; Y225-F231 HydrophobicContact CD1-CG 3.66Å; Y225-F231 HydrophobicContact CD1-CZ 4.38Å; Y225-F231 HydrophobicContact CD2-CD1 4.16Å; Y225-F231 AromaticContact CD2-CE1 3.69Å; Y225-F231 HydrophobicContact CD2-CE1 3.69Å; Y225-F231 HydrophobicContact CD2-CE2 4.3Å; Y225-F231 AromaticContact CD2-CZ 3.74Å; Y225-F231 HydrophobicContact CD2-CZ 3.74Å; Y225-F231 HydrophobicContact CE1-CB 3.58Å; Y225-F231 AromaticContact CE1-CD1 3.55Å; Y225-F231 HydrophobicContact CE1-CD1 3.55Å; Y225-F231 AromaticContact CE1-CD2 3.65Å; Y225-F231 HydrophobicContact CE1-CD2 3.65Å; Y225-F231 HydrophobicContact CE1-CE1 4.04Å; Y225-F231 HydrophobicContact CE1-CE2 4.12Å; Y225-F231 AromaticContact CE1-CG 3.31Å; Y225-F231 HydrophobicContact CE1-CG 3.31Å; Y225-F231 HydrophobicContact CE1-CZ 4.28Å; Y225-F231 HydrophobicContact CE2-CD1 4.33Å; Y225-F231 HydrophobicContact CE2-CD2 4.13Å; Y225-F231 AromaticContact CE2-CE1 3.98Å; Y225-F231 HydrophobicContact CE2-CE1 3.98Å; Y225-F231 AromaticContact CE2-CE2 3.75Å; Y225-F231 HydrophobicContact CE2-CE2 3.75Å; Y225-F231 HydrophobicContact CE2-CG 4.39Å; Y225-F231 AromaticContact CE2-CZ 3.65Å; Y225-F231 HydrophobicContact CE2-CZ 3.65Å; Y225-F231 AromaticContact CG-CD1 3.68Å; Y225-F231 HydrophobicContact CG-CD1 3.68Å; Y225-F231 AromaticContact CG-CE1 3.56Å; Y225-F231 HydrophobicContact CG-CE1 3.56Å; Y225-F231 HydrophobicContact CG-CG 4.32Å; Y225-F231 HydrophobicContact CG-CZ 4.11Å; Y225-F231 AromaticContact CZ-CD2 3.52Å; Y225-F231 AromaticContact CZ-CE2 3.62Å; Y225-F231 AromaticContact CZ-CG 3.71Å; Y225-F231 AromaticContact CZ-CZ 3.91Å; F231-V233 HydrophobicContact CD2-CG2 3.67Å; F231-V233 HydrophobicContact CE2-CG2 3.54Å; F231-C239 HydrophobicContact CD1-CB 4.37Å; F231-C239 HydrophobicContact CD2-CB 4.01Å; F231-C239 HydrophobicContact CE1-CB 3.91Å; F231-C239 HydrophobicContact CE2-CB 3.51Å; F231-C239 HydrophobicContact CG-CB 4.44Å; F231-C239 HydrophobicContact CZ-CB 3.47Å; F231-C239 VanDerWaalsContact CZ-CB 3.47Å; F231-C239 PolarHBondContact N-O 3.38Å; F231-C239 PolarHBondContact O-N 3.47Å; F231-V247 HydrophobicContact CE1-CG1 4.08Å; F231-V247 HydrophobicContact CZ-CG1 3.66Å
232V92.8Very high93.1Very high87 Ų8764.4 Ų64.453%0.52734%0.342SS..EExtended strand (participates in β ladder)trans-95.2125.9178.2-175.20000108.8S234 R238V232-S234 WeakPolarHBondContact CG1-O 3.44Å; V232-R238 HydrophobicContact CG2-CG 4.47Å
233V92.5Very high92.9Very high43 Ų4363.6 Ų63.626%0.26133%0.328SS..EExtended strand (participates in β ladder)trans-98.1-36.9-179.2-179.10000111.1F220 R221 F231 E237 C239F220-V233 HydrophobicContact CD1-CG2 4.47Å; F220-V233 HydrophobicContact CE1-CG1 4.24Å; F220-V233 HydrophobicContact CE1-CG2 3.69Å; F220-V233 HydrophobicContact CZ-CG2 4.38Å; R221-V233 VanDerWaalsContact CZ-CG1 3.43Å; R221-V233 VanDerWaalsContact NH1-CG1 3.31Å; F231-V233 HydrophobicContact CD2-CG2 3.67Å; F231-V233 HydrophobicContact CE2-CG2 3.54Å; V233-E237 HydrophobicContact CB-CB 4.12Å; V233-E237 HydrophobicContact CB-CG 3.95Å; V233-E237 HydrophobicContact CG1-CG 4.43Å; V233-E237 VanDerWaalsContact CG1-OE2 3.28Å; V233-E237 WeakPolarHBondContact CG1-OE2 3.17Å; V233-E237 HydrophobicContact CG2-CG 4.42Å; V233-E237 PolarHBondContact N-O 3.39Å; V233-C239 HydrophobicContact CG2-CB 4.24Å; V233-C239 VanDerWaalsContact CG2-SG 3.53Å
234S91.4Very high92.5Very high45 Ų4560.6 Ų60.632%0.31532%0.319SS..EExtended strand (participates in β ladder)trans-149167.8169.771.60000108.3V232 C236 E237V232-S234 WeakPolarHBondContact CG1-O 3.44Å; S234-C236 PolarHBondContact O-N 3.38Å; S234-E237 PolarHBondContact N-O 3.02Å; S234-E237 PolarHBondContact O-N 3.09Å; S234-E237 VanDerWaalsContact OG-CB 3.23Å; S234-E237 WeakPolarHBondContact OG-CB 3.39Å; S234-E237 PolarHBondContact OG-N 3.06Å; S234-E237 VanDerWaalsContact OG-N 3.14Å
235P91.6Very high92.2Very high66 Ų6657 Ų5743%0.42930%0.301SS..THydrogen-bonded Turntrans-51.6-29.4177.5-28.536.2000114.1C269P235-C269 HydrophobicContact CB-CB 4.3Å; P235-C269 WeakPolarHBondContact O-CB 3.37Å
236C92.9Very high92Very high33 Ų3361.7 Ų61.722%0.22332%0.324CS..THydrogen-bonded Turntrans-95.1-18.5176.2-64.80000115.7S234 V251 S252 C269S234-C236 PolarHBondContact O-N 3.38Å; C236-V251 WeakPolarHBondContact O-CA 3.15Å; C236-S252 PolarHBondContact O-N 2.03Å; C236-C269 WeakPolarHBondContact CA-SG 3.3Å; C236-C269 HydrophobicContact CB-CB 3.97Å; C236-C269 WeakPolarHBondContact CB-SG 3.5Å; C236-C269 WeakPolarHBondContact SG-CA 3.31Å; C236-C269 WeakPolarHBondContact SG-CB 3.47Å; C236-C269 PolarHBondContact SG-O 3.04Å; C236-C269 VanDerWaalsContact SG-O 3.4Å; C236-C269 CovalentContact SG-SG 2.03Å; C236-C269 PolarHBondContact SG-SG 2.62Å
237E93.6Very high92.1Very high34 Ų3457.7 Ų57.716%0.15931%0.308CS..EExtended strand (participates in β ladder)trans-111.2107.7-170.9-172.8-173.5175.300109.7R221 V233 S234 V251R221-E237 IonicContact CZ-OE1 2.77Å; R221-E237 IonicContact CZ-OE2 3.88Å; R221-E237 IonicContact NH2-OE1 2.92Å; R221-E237 PolarHBondContact NH2-OE1 3.36Å; R221-E237 IonicContact NH2-OE2 2.79Å; R221-E237 PolarHBondContact NH2-OE2 2.81Å; V233-E237 HydrophobicContact CB-CB 4.12Å; V233-E237 HydrophobicContact CB-CG 3.95Å; V233-E237 HydrophobicContact CG1-CG 4.43Å; V233-E237 VanDerWaalsContact CG1-OE2 3.28Å; V233-E237 WeakPolarHBondContact CG1-OE2 3.17Å; V233-E237 HydrophobicContact CG2-CG 4.42Å; V233-E237 PolarHBondContact N-O 3.39Å; S234-E237 PolarHBondContact N-O 3.02Å; S234-E237 PolarHBondContact O-N 3.09Å; S234-E237 VanDerWaalsContact OG-CB 3.23Å; S234-E237 WeakPolarHBondContact OG-CB 3.39Å; S234-E237 PolarHBondContact OG-N 3.06Å; S234-E237 VanDerWaalsContact OG-N 3.14Å; E237-V251 HydrophobicContact CG-CG2 4.49Å
238R93.8Very high92.2Very high110 Ų11060.7 Ų60.742%0.41532%0.322SS..EExtended strand (participates in β ladder)trans-108.6131.9173.7-60.8-177.366.294.8-4109.1E230 V232 C249 T250E230-R238 IonicContact OE1-CZ 2.84Å; E230-R238 IonicContact OE1-NE 3.99Å; E230-R238 PolarHBondContact OE1-NE 2.76Å; E230-R238 IonicContact OE1-NH2 3.57Å; E230-R238 PolarHBondContact OE1-NH2 3.48Å; E230-R238 IonicContact OE2-CZ 3.81Å; E230-R238 IonicContact OE2-NH2 2.81Å; E230-R238 PolarHBondContact OE2-NH2 2.7Å; V232-R238 HydrophobicContact CG2-CG 4.47Å; R238-C249 CarbonylContact O-C 3.24Å; R238-C249 WeakPolarHBondContact O-CA 3.39Å; R238-T250 PolarHBondContact N-O 2.87Å; R238-T250 PolarHBondContact O-N 2.56Å
239C96.1Very high92.4Very high1 Ų158.5 Ų58.51%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-127151.2-177.6-60.70000111.1E230 F231 V233 V247 L248 C249E230-C239 CarbonylContact C-O 3.54Å; E230-C239 WeakPolarHBondContact CA-O 3Å; E230-C239 WeakPolarHBondContact CG-O 3.03Å; F231-C239 HydrophobicContact CD1-CB 4.37Å; F231-C239 HydrophobicContact CD2-CB 4.01Å; F231-C239 HydrophobicContact CE1-CB 3.91Å; F231-C239 HydrophobicContact CE2-CB 3.51Å; F231-C239 HydrophobicContact CG-CB 4.44Å; F231-C239 HydrophobicContact CZ-CB 3.47Å; F231-C239 VanDerWaalsContact CZ-CB 3.47Å; F231-C239 PolarHBondContact N-O 3.38Å; F231-C239 PolarHBondContact O-N 3.47Å; V233-C239 HydrophobicContact CG2-CB 4.24Å; V233-C239 VanDerWaalsContact CG2-SG 3.53Å; C239-V247 HydrophobicContact CB-CG1 3.73Å; C239-L248 CarbonylContact C-O 3.59Å; C239-L248 VanDerWaalsContact CA-O 3.3Å; C239-L248 WeakPolarHBondContact CA-O 3.26Å; C239-C249 HydrophobicContact CB-CB 4.11Å; C239-C249 WeakPolarHBondContact CB-SG 3.1Å; C239-C249 WeakPolarHBondContact SG-CB 3.33Å; C239-C249 CovalentContact SG-SG 2.04Å; C239-C249 PolarHBondContact SG-SG 3.47Å
240R95.5Very high92.4Very high99 Ų9959.1 Ų59.137%0.37432%0.323SS..EExtended strand (participates in β ladder)trans-132.6134.8176.9-170.5176-176.5-134.714.9110.8E229 E230 E242 V247 L248E229-R240 WeakPolarHBondContact O-CA 3.21Å; E230-R240 HydrophobicContact CB-CG 4.5Å; E230-R240 HydrophobicContact CG-CB 4.48Å; R240-E242 WeakPolarHBondContact CD-OE1 3.27Å; R240-E242 IonicContact CZ-OE1 3.77Å; R240-E242 IonicContact NE-OE1 2.7Å; R240-E242 IonicContact NH1-OE1 3.38Å; R240-E242 PolarHBondContact NH1-OE1 2.04Å; R240-E242 IonicContact NH1-OE2 3.57Å; R240-V247 WeakPolarHBondContact O-CA 3.43Å; R240-L248 PolarHBondContact N-O 2.97Å; R240-L248 PolarHBondContact O-N 3.29Å
241C94.4Very high92.4Very high0 Ų059 Ų590%033%0.329CS..EExtended strand (participates in β ladder)trans-79.2117.8170.6172.10000109.8C218 Q226 L228 E229C218-C241 HydrophobicContact CB-CB 3.67Å; C218-C241 WeakPolarHBondContact CB-SG 3.36Å; C218-C241 PolarHBondContact N-SG 2.75Å; C218-C241 WeakPolarHBondContact SG-CA 3.09Å; C218-C241 WeakPolarHBondContact SG-CB 3.38Å; C218-C241 CovalentContact SG-SG 2.02Å; C218-C241 PolarHBondContact SG-SG 3.08Å; Q226-C241 WeakPolarHBondContact O-CB 3.35Å; Q226-C241 PolarHBondContact O-SG 2.8Å; L228-C241 WeakPolarHBondContact CA-O 3.45Å; L228-C241 PolarHBondContact N-O 2.92Å; E229-C241 PolarHBondContact O-N 3.48Å
242E92.4Very high92.2Very high47 Ų4760.9 Ų60.922%0.2234%0.344CS..  trans-90.4164.6-175.8-78.5-58.6153.600113.8R198 R240 N244 G245 E246 L248R198-E242 PolarHBondContact NH1-O 3.34Å; R240-E242 WeakPolarHBondContact CD-OE1 3.27Å; R240-E242 IonicContact CZ-OE1 3.77Å; R240-E242 IonicContact NE-OE1 2.7Å; R240-E242 IonicContact NH1-OE1 3.38Å; R240-E242 PolarHBondContact NH1-OE1 2.04Å; R240-E242 IonicContact NH1-OE2 3.57Å; E242-N244 VanDerWaalsContact CB-OD1 3.26Å; E242-N244 WeakPolarHBondContact CB-OD1 3.05Å; E242-N244 PolarHBondContact O-N 3.32Å; E242-N244 VanDerWaalsContact O-N 3.08Å; E242-G245 PolarHBondContact O-N 2.85Å; E242-E246 PolarHBondContact N-O 3.09Å; E242-L248 HydrophobicContact CG-CB 4.28Å
243A87.1Confident92.2Very high52 Ų5261.4 Ų61.443%0.4336%0.357SS..THydrogen-bonded Turntrans-65-10.6179.600000114.1R198 T227R198-A243 PolarHBondContact NH1-O 2.95Å; T227-A243 HydrophobicContact CG2-CB 4.23Å
244N84Confident92.1Very high73 Ų7362 Ų6239%0.3936%0.363SS..THydrogen-bonded Turntrans-91.6-7.3170.469.9-8.8000114.1R198 E242 E246R198-N244 WeakPolarHBondContact CD-O 3.45Å; R198-N244 WeakPolarHBondContact CG-O 3.42Å; R198-N244 PolarHBondContact NE-O 3.41Å; E242-N244 VanDerWaalsContact CB-OD1 3.26Å; E242-N244 WeakPolarHBondContact CB-OD1 3.05Å; E242-N244 PolarHBondContact O-N 3.32Å; E242-N244 VanDerWaalsContact O-N 3.08Å; N244-E246 PolarHBondContact ND2-OE2 3.08Å; N244-E246 WeakPolarHBondContact OD1-CB 3.11Å; N244-E246 PolarHBondContact OD1-N 3.49Å
245G85.8Confident92.1Very high21 Ų2164.7 Ų64.722%0.21638%0.379CS..SBendtrans87.54.7177.300000115.4R198 C218 E242R198-G245 VanDerWaalsContact NH1-N 3.19Å; C218-G245 VanDerWaalsContact SG-C 3.5Å; C218-G245 PolarHBondContact SG-O 3.3Å; E242-G245 PolarHBondContact O-N 2.85Å
246E88.9Confident91.9Very high130 Ų13067.1 Ų67.161%0.60739%0.385SS*.  trans-86.5157169.3-60.3172.6169.200109.1C218 E242 N244C218-E246 PolarHBondContact SG-O 3.31Å; C218-E246 VanDerWaalsContact SG-O 3.38Å; E242-E246 PolarHBondContact N-O 3.09Å; N244-E246 PolarHBondContact ND2-OE2 3.08Å; N244-E246 WeakPolarHBondContact OD1-CB 3.11Å; N244-E246 PolarHBondContact OD1-N 3.49Å
247V94.2Very high91.9Very high36 Ų3667 Ų6722%0.21838%0.383CS..EExtended strand (participates in β ladder)trans-105.9117173.1176.30000108.1C218 F220 F231 C239 R240C218-V247 HydrophobicContact CB-CG2 3.48Å; C218-V247 VanDerWaalsContact CB-CG2 3.48Å; F220-V247 HydrophobicContact CB-CG2 4.08Å; F220-V247 HydrophobicContact CD2-CB 4.09Å; F220-V247 HydrophobicContact CD2-CG1 3.88Å; F220-V247 HydrophobicContact CD2-CG2 4.4Å; F220-V247 HydrophobicContact CE2-CG1 4.25Å; F220-V247 HydrophobicContact CG-CG1 4.28Å; F231-V247 HydrophobicContact CE1-CG1 4.08Å; F231-V247 HydrophobicContact CZ-CG1 3.66Å; C239-V247 HydrophobicContact CB-CG1 3.73Å; R240-V247 WeakPolarHBondContact O-CA 3.43Å
248L94.8Very high91.7Very high108 Ų10870.6 Ų70.657%0.56540%0.4SS*.EExtended strand (participates in β ladder)trans-92.1115.3174.5-175.762.6000108.7C239 R240 E242C239-L248 CarbonylContact C-O 3.59Å; C239-L248 VanDerWaalsContact CA-O 3.3Å; C239-L248 WeakPolarHBondContact CA-O 3.26Å; R240-L248 PolarHBondContact N-O 2.97Å; R240-L248 PolarHBondContact O-N 3.29Å; E242-L248 HydrophobicContact CG-CB 4.28Å
249C95.5Very high91.6Very high45 Ų4565.4 Ų65.430%0.30438%0.381SS..EExtended strand (participates in β ladder)trans-107.1131.7177.2-66.20000111R238 C239R238-C249 CarbonylContact O-C 3.24Å; R238-C249 WeakPolarHBondContact O-CA 3.39Å; C239-C249 HydrophobicContact CB-CB 4.11Å; C239-C249 WeakPolarHBondContact CB-SG 3.1Å; C239-C249 WeakPolarHBondContact SG-CB 3.33Å; C239-C249 CovalentContact SG-SG 2.04Å; C239-C249 PolarHBondContact SG-SG 3.47Å
250T94.3Very high91.5Very high90 Ų9066.3 Ų66.355%0.55239%0.386SS*.EExtended strand (participates in β ladder)trans-110.4125.2173.9-56.10000108.5R238R238-T250 PolarHBondContact N-O 2.87Å; R238-T250 PolarHBondContact O-N 2.56Å
251V94.1Very high91.4Very high104 Ų10463.6 Ų63.663%0.6338%0.379SS*.EExtended strand (participates in β ladder)trans-98.9120.2173.5-177.20000108.5C236 E237 A253C236-V251 WeakPolarHBondContact O-CA 3.15Å; E237-V251 HydrophobicContact CG-CG2 4.49Å; V251-A253 PolarHBondContact O-N 3.37Å
252S91.4Very high91.4Very high55 Ų5565.5 Ų65.539%0.38539%0.391SS..PPolyproline II helixtrans-67.6119.5174.9-63.40000110.3C236C236-S252 PolarHBondContact O-N 2.03Å
253A91.1Very high91.5Very high97 Ų9765.9 Ų65.980%0.80240%0.397SS*.PPolyproline II helixtrans-82.1133.716700000109.6V251V251-A253 PolarHBondContact O-N 3.37Å
254C91.6Very high91.7Very high56 Ų5671.8 Ų71.838%0.37841%0.409SS..PPolyproline II helixtrans-81.2143.3-179.8-670000112.3C269 C270C254-C269 VanDerWaalsContact SG-SG 3.66Å; C254-C270 WeakPolarHBondContact CA-SG 3.48Å; C254-C270 HydrophobicContact CB-CB 3.74Å; C254-C270 WeakPolarHBondContact CB-SG 3.32Å; C254-C270 WeakPolarHBondContact SG-CA 3.49Å; C254-C270 WeakPolarHBondContact SG-CB 3.19Å; C254-C270 CovalentContact SG-SG 2.04Å; C254-C270 PolarHBondContact SG-SG 2.04Å
255P90.1Very high92.1Very high102 Ų10271.7 Ų71.766%0.66241%0.406SS*.PPolyproline II helixtrans-64.4153.9172.329.4-34.9000110.6T257P255-T257 PolarHBondContact O-N 2.05Å
256Q88.8Confident92.2Very high116 Ų11676.1 Ų76.154%0.54243%0.431SS..PPolyproline II helixtrans-63.2132.7170.5179176.4-16.600109.8
257T92Very high92.2Very high30 Ų3076.9 Ų76.918%0.18444%0.44CS..PPolyproline II helixtrans-76.6143.1-179.759.30000112.1P255 C259 P262 P271P255-T257 PolarHBondContact O-N 2.05Å; T257-C259 VanDerWaalsContact C-N 3.26Å; T257-C259 PolarHBondContact OG1-O 3.06Å; T257-C259 VanDerWaalsContact OG1-O 3.11Å; T257-P262 HydrophobicContact CG2-CB 4.11Å; T257-P271 HydrophobicContact CG2-CG 3.84Å
258E89Confident92Very high110 Ų11079.6 Ų79.651%0.51445%0.45SS..SBendtrans-89.410.3174.1-58.9-178.8169.500112.8P277 N278E258-P277 HydrophobicContact CB-CB 4.12Å; E258-P277 HydrophobicContact CB-CG 4.43Å; E258-P277 VanDerWaalsContact O-CA 3.27Å; E258-P277 WeakPolarHBondContact O-CA 3.46Å; E258-N278 PolarHBondContact O-N 2.77Å; E258-N278 VanDerWaalsContact O-N 3.12Å
259C92.9Very high91.9Very high2 Ų275.8 Ų75.81%0.01443%0.432CS..  trans-126.1158.8175.561.70000111.3T257 D261 C273 N278T257-C259 VanDerWaalsContact C-N 3.26Å; T257-C259 PolarHBondContact OG1-O 3.06Å; T257-C259 VanDerWaalsContact OG1-O 3.11Å; C259-D261 WeakPolarHBondContact CB-OD1 3.07Å; C259-C273 HydrophobicContact CB-CB 3.6Å; C259-C273 WeakPolarHBondContact CB-SG 3.05Å; C259-C273 WeakPolarHBondContact SG-CA 3.4Å; C259-C273 WeakPolarHBondContact SG-CB 3.1Å; C259-C273 CovalentContact SG-SG 2.03Å; C259-C273 PolarHBondContact SG-SG 3.26Å; C259-N278 WeakPolarHBondContact CA-OD1 3.03Å; C259-N278 WeakPolarHBondContact CB-ND2 2.99Å; C259-N278 WeakPolarHBondContact CB-OD1 3.39Å
260V93.3Very high91.8Very high19 Ų1975.3 Ų75.312%0.11543%0.429CS..SBendtrans-96.5-9.1172.8-62.70000113.6P262 N278 F280 V285 R313V260-P262 VanDerWaalsContact O-CD 3.24Å; V260-P262 WeakPolarHBondContact O-CD 3.37Å; V260-N278 VanDerWaalsContact CG2-OD1 3.22Å; V260-N278 WeakPolarHBondContact CG2-OD1 2.98Å; V260-N278 PolarHBondContact N-OD1 3.14Å; V260-F280 HydrophobicContact CB-CD2 3.84Å; V260-F280 HydrophobicContact CB-CE1 4.19Å; V260-F280 HydrophobicContact CB-CE2 3.46Å; V260-F280 VanDerWaalsContact CB-CE2 3.46Å; V260-F280 HydrophobicContact CB-CG 4.36Å; V260-F280 HydrophobicContact CB-CZ 3.64Å; V260-F280 HydrophobicContact CG1-CD2 3.76Å; V260-F280 HydrophobicContact CG1-CE2 3.78Å; V260-F280 HydrophobicContact CG1-CG 4.43Å; V260-F280 HydrophobicContact CG1-CZ 4.45Å; V260-F280 HydrophobicContact CG2-CD1 3.87Å; V260-F280 HydrophobicContact CG2-CD2 3.97Å; V260-F280 HydrophobicContact CG2-CE1 3.74Å; V260-F280 HydrophobicContact CG2-CE2 3.87Å; V260-F280 HydrophobicContact CG2-CG 3.98Å; V260-F280 HydrophobicContact CG2-CZ 3.74Å; V260-V285 HydrophobicContact CG2-CG1 3.98Å; V260-V285 HydrophobicContact CG2-CG2 3.95Å; V260-R313 HydrophobicContact CG1-CB 4.03Å; V260-R313 HydrophobicContact CG1-CG 4.17Å
261D93.4Very high91.7Very high42 Ų4272 Ų7223%0.22541%0.408CS..SBendtrans-11346.9176.969.9-17.4000115.1C259 V263 N275 N278C259-D261 WeakPolarHBondContact CB-OD1 3.07Å; D261-V263 PolarHBondContact O-N 3.45Å; D261-N275 PolarHBondContact OD2-ND2 3.34Å; D261-N278 PolarHBondContact OD1-ND2 3.4Å; D261-N278 PolarHBondContact OD1-OD1 3.37Å
262P94.6Very high91.7Very high41 Ų4169.6 Ų69.627%0.26639%0.392SS..PPolyproline II helixtrans-61.2132.2-177.324.8-33.1000113.5T257 V260 P271T257-P262 HydrophobicContact CG2-CB 4.11Å; V260-P262 VanDerWaalsContact O-CD 3.24Å; V260-P262 WeakPolarHBondContact O-CD 3.37Å; P262-P271 HydrophobicContact CB-CB 3.75Å; P262-P271 HydrophobicContact CB-CG 4.28Å
263V94Very high91.8Very high55 Ų5568.7 Ų68.733%0.33339%0.385SS..BIsolated β-bridgetrans-101.8126.9177.5-177.70000110.2D261 E265 P271 I272 K274D261-V263 PolarHBondContact O-N 3.45Å; V263-E265 HydrophobicContact CG1-CG 4.45Å; V263-P271 CarbonylContact O-C 3.54Å; V263-P271 VanDerWaalsContact O-CA 3.3Å; V263-P271 WeakPolarHBondContact O-CA 3.3Å; V263-I272 PolarHBondContact N-O 3.38Å; V263-I272 PolarHBondContact O-N 3.21Å; V263-K274 HydrophobicContact CB-CD 4.3Å; V263-K274 HydrophobicContact CB-CG 4.34Å; V263-K274 HydrophobicContact CG1-CD 4.35Å; V263-K274 HydrophobicContact CG2-CD 4.17Å; V263-K274 HydrophobicContact CG2-CG 4.23Å
264Y92.7Very high91.8Very high175 Ų17569.7 Ų69.769%0.68637%0.371SS*.PPolyproline II helixtrans-93.6126.5173.2-67.1-95.6000110.1P271Y264-P271 HydrophobicContact CD1-CB 3.93Å; Y264-P271 HydrophobicContact CD1-CG 4.38Å; Y264-P271 HydrophobicContact CD2-CB 4.15Å; Y264-P271 HydrophobicContact CE1-CB 3.77Å; Y264-P271 HydrophobicContact CE1-CG 3.76Å; Y264-P271 HydrophobicContact CE2-CB 3.98Å; Y264-P271 HydrophobicContact CE2-CG 4.42Å; Y264-P271 HydrophobicContact CG-CB 4.13Å
265E91.4Very high91.8Very high71 Ų7172.6 Ų72.633%0.33238%0.383SS..  trans-110.6142.6175.2-61-162.6137.100110.2V263 D267 Q268 I272 K274V263-E265 HydrophobicContact CG1-CG 4.45Å; E265-D267 PolarHBondContact O-N 3.05Å; E265-Q268 PolarHBondContact O-N 3.42Å; E265-I272 HydrophobicContact CG-CD1 4.34Å; E265-K274 VanDerWaalsContact OE1-CE 3.25Å; E265-K274 WeakPolarHBondContact OE1-CE 3.13Å; E265-K274 IonicContact OE1-NZ 2.65Å; E265-K274 PolarHBondContact OE1-NZ 3.25Å
266P87.9Confident91.8Very high114 Ų11469 Ų6974%0.7436%0.364SS*.THydrogen-bonded Turntrans-65.1-25.5-168.626-35.7000114.3
267D88.3Confident92Very high147 Ų14766 Ų6679%0.78636%0.355SS*.THydrogen-bonded Turntrans-95.1-0.3-177.7-58.7-55.1000113.4E265E265-D267 PolarHBondContact O-N 3.05Å
268Q90.8Very high92.1Very high93 Ų9364.7 Ų64.744%0.43535%0.347SS..  trans-113145.5176.8-76.1-172.72.500111.9E265E265-Q268 PolarHBondContact O-N 3.42Å
269C92.1Very high92.4Very high28 Ų2859.5 Ų59.519%0.18932%0.323CS..SBendtrans-68.9-42.1172.81770000112.3P235 C236 C254P235-C269 HydrophobicContact CB-CB 4.3Å; P235-C269 WeakPolarHBondContact O-CB 3.37Å; C236-C269 WeakPolarHBondContact CA-SG 3.3Å; C236-C269 HydrophobicContact CB-CB 3.97Å; C236-C269 WeakPolarHBondContact CB-SG 3.5Å; C236-C269 WeakPolarHBondContact SG-CA 3.31Å; C236-C269 WeakPolarHBondContact SG-CB 3.47Å; C236-C269 PolarHBondContact SG-O 3.04Å; C236-C269 VanDerWaalsContact SG-O 3.4Å; C236-C269 CovalentContact SG-SG 2.03Å; C236-C269 PolarHBondContact SG-SG 2.62Å; C254-C269 VanDerWaalsContact SG-SG 3.66Å
270C93.4Very high92.5Very high34 Ų3463 Ų6323%0.2334%0.338CS..SBendtrans-114.2146-166.8-60.60000111.7C254C254-C270 WeakPolarHBondContact CA-SG 3.48Å; C254-C270 HydrophobicContact CB-CB 3.74Å; C254-C270 WeakPolarHBondContact CB-SG 3.32Å; C254-C270 WeakPolarHBondContact SG-CA 3.49Å; C254-C270 WeakPolarHBondContact SG-CB 3.19Å; C254-C270 CovalentContact SG-SG 2.04Å; C254-C270 PolarHBondContact SG-SG 2.04Å
271P93.9Very high92.5Very high20 Ų2062.1 Ų62.113%0.1333%0.333CS..  trans-67.9151.7176.928.2-34.1000111.7T257 P262 V263 Y264T257-P271 HydrophobicContact CG2-CG 3.84Å; P262-P271 HydrophobicContact CB-CB 3.75Å; P262-P271 HydrophobicContact CB-CG 4.28Å; V263-P271 CarbonylContact O-C 3.54Å; V263-P271 VanDerWaalsContact O-CA 3.3Å; V263-P271 WeakPolarHBondContact O-CA 3.3Å; Y264-P271 HydrophobicContact CD1-CB 3.93Å; Y264-P271 HydrophobicContact CD1-CG 4.38Å; Y264-P271 HydrophobicContact CD2-CB 4.15Å; Y264-P271 HydrophobicContact CE1-CB 3.77Å; Y264-P271 HydrophobicContact CE1-CG 3.76Å; Y264-P271 HydrophobicContact CE2-CB 3.98Å; Y264-P271 HydrophobicContact CE2-CG 4.42Å; Y264-P271 HydrophobicContact CG-CB 4.13Å
272I92.8Very high92.2Very high54 Ų5466 Ų6628%0.27735%0.35SS..BIsolated β-bridgetrans-117.9139.6178.953.7169.8000112.1V263 E265 K274V263-I272 PolarHBondContact N-O 3.38Å; V263-I272 PolarHBondContact O-N 3.21Å; E265-I272 HydrophobicContact CG-CD1 4.34Å; I272-K274 HydrophobicContact CD1-CG 4.01Å; I272-K274 HydrophobicContact CG1-CG 4.16Å; I272-K274 PolarHBondContact O-N 3.43Å
273C93.6Very high91.9Very high37 Ų3770.7 Ų70.725%0.2538%0.377CS..  trans-85.882.9174.2-60.80000109.7C259 N275 G276C259-C273 HydrophobicContact CB-CB 3.6Å; C259-C273 WeakPolarHBondContact CB-SG 3.05Å; C259-C273 WeakPolarHBondContact SG-CA 3.4Å; C259-C273 WeakPolarHBondContact SG-CB 3.1Å; C259-C273 CovalentContact SG-SG 2.03Å; C259-C273 PolarHBondContact SG-SG 3.26Å; C273-N275 PolarHBondContact O-N 3.31Å; C273-G276 PolarHBondContact O-N 3.5Å
274K91.7Very high91.7Very high118 Ų11870 Ų7051%0.51338%0.378SS..THydrogen-bonded Turntrans-59.6-29.9-175.7-67.9-168.1176.2-174.60113.6V263 E265 I272 G276V263-K274 HydrophobicContact CB-CD 4.3Å; V263-K274 HydrophobicContact CB-CG 4.34Å; V263-K274 HydrophobicContact CG1-CD 4.35Å; V263-K274 HydrophobicContact CG2-CD 4.17Å; V263-K274 HydrophobicContact CG2-CG 4.23Å; E265-K274 VanDerWaalsContact OE1-CE 3.25Å; E265-K274 WeakPolarHBondContact OE1-CE 3.13Å; E265-K274 IonicContact OE1-NZ 2.65Å; E265-K274 PolarHBondContact OE1-NZ 3.25Å; I272-K274 HydrophobicContact CD1-CG 4.01Å; I272-K274 HydrophobicContact CG1-CG 4.16Å; I272-K274 PolarHBondContact O-N 3.43Å; K274-G276 VanDerWaalsContact C-N 3.34Å
275N90.6Very high91.8Very high116 Ų11664.9 Ų64.962%0.6236%0.364SS*.THydrogen-bonded Turntrans-91.47.3179.1-62.4-39.5000113.4D261 C273D261-N275 PolarHBondContact OD2-ND2 3.34Å; C273-N275 PolarHBondContact O-N 3.31Å
276G91.4Very high91.9Very high26 Ų2661.8 Ų61.827%0.26835%0.35SS..  trans72.1-169-170.200000113C273 K274 N278C273-G276 PolarHBondContact O-N 3.5Å; K274-G276 VanDerWaalsContact C-N 3.34Å; G276-N278 PolarHBondContact O-ND2 3.49Å
277P93.2Very high92.2Very high54 Ų5458.1 Ų58.135%0.35133%0.326SS..SBendtrans-68.2137.6-178-1932.6000112.9E258 P287 A288 I311E258-P277 HydrophobicContact CB-CB 4.12Å; E258-P277 HydrophobicContact CB-CG 4.43Å; E258-P277 VanDerWaalsContact O-CA 3.27Å; E258-P277 WeakPolarHBondContact O-CA 3.46Å; P277-P287 WeakPolarHBondContact O-CA 3.4Å; P277-A288 HydrophobicContact CB-CB 4.26Å; P277-A288 PolarHBondContact O-N 3.48Å; P277-I311 HydrophobicContact CB-CD1 3.27Å; P277-I311 HydrophobicContact CG-CD1 4.33Å
278N93.9Very high92.3Very high3 Ų352.3 Ų52.32%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-159.5162.5-172.96060.9000113.4E258 C259 V260 D261 G276 V285 I286E258-N278 PolarHBondContact O-N 2.77Å; E258-N278 VanDerWaalsContact O-N 3.12Å; C259-N278 WeakPolarHBondContact CA-OD1 3.03Å; C259-N278 WeakPolarHBondContact CB-ND2 2.99Å; C259-N278 WeakPolarHBondContact CB-OD1 3.39Å; V260-N278 VanDerWaalsContact CG2-OD1 3.22Å; V260-N278 WeakPolarHBondContact CG2-OD1 2.98Å; V260-N278 PolarHBondContact N-OD1 3.14Å; D261-N278 PolarHBondContact OD1-ND2 3.4Å; D261-N278 PolarHBondContact OD1-OD1 3.37Å; G276-N278 PolarHBondContact O-ND2 3.49Å; N278-V285 HydrophobicContact CB-CG1 3.77Å; N278-I286 VanDerWaalsContact CA-O 3.3Å; N278-I286 WeakPolarHBondContact CA-O 3.4Å; N278-I286 WeakPolarHBondContact CB-O 3.35Å
279C94.6Very high92.2Very high0 Ų051.3 Ų51.30%031%0.313CS..EExtended strand (participates in β ladder)trans-139.7166.3-177.969.30000111.6I286 C302 I311 E312C279-I286 PolarHBondContact N-O 3.23Å; C279-I286 PolarHBondContact O-N 2.96Å; C279-C302 HydrophobicContact CB-CB 3.9Å; C279-C302 WeakPolarHBondContact CB-SG 3.44Å; C279-C302 PolarHBondContact N-SG 3.46Å; C279-C302 WeakPolarHBondContact SG-CA 3.08Å; C279-C302 WeakPolarHBondContact SG-CB 3.41Å; C279-C302 CovalentContact SG-SG 2.04Å; C279-C302 PolarHBondContact SG-SG 3.36Å; C279-I311 HydrophobicContact CB-CG2 4.19Å; C279-E312 VanDerWaalsContact CB-O 3.22Å; C279-E312 WeakPolarHBondContact CB-O 3.3Å
280F94.4Very high92Very high77 Ų7756.7 Ų56.734%0.33833%0.329SS..EExtended strand (participates in β ladder)trans-85116.7175.3-70.5-60.9000112.3V260 A284 V285 R313 Q314 A315V260-F280 HydrophobicContact CB-CD2 3.84Å; V260-F280 HydrophobicContact CB-CE1 4.19Å; V260-F280 HydrophobicContact CB-CE2 3.46Å; V260-F280 VanDerWaalsContact CB-CE2 3.46Å; V260-F280 HydrophobicContact CB-CG 4.36Å; V260-F280 HydrophobicContact CB-CZ 3.64Å; V260-F280 HydrophobicContact CG1-CD2 3.76Å; V260-F280 HydrophobicContact CG1-CE2 3.78Å; V260-F280 HydrophobicContact CG1-CG 4.43Å; V260-F280 HydrophobicContact CG1-CZ 4.45Å; V260-F280 HydrophobicContact CG2-CD1 3.87Å; V260-F280 HydrophobicContact CG2-CD2 3.97Å; V260-F280 HydrophobicContact CG2-CE1 3.74Å; V260-F280 HydrophobicContact CG2-CE2 3.87Å; V260-F280 HydrophobicContact CG2-CG 3.98Å; V260-F280 HydrophobicContact CG2-CZ 3.74Å; F280-A284 CarbonylContact C-O 3.6Å; F280-A284 WeakPolarHBondContact CA-O 3.28Å; F280-V285 HydrophobicContact CD1-CG2 3.93Å; F280-V285 HydrophobicContact CE1-CG2 3.74Å; F280-R313 PolarHBondContact N-O 3.17Å; F280-Q314 PolarHBondContact O-NE2 2.97Å; F280-A315 WeakPolarHBondContact O-CB 3.41Å; F280-A315 PolarHBondContact O-N 3.08Å
281A93.2Very high91.9Very high0 Ų061.9 Ų61.90%035%0.35CS..EExtended strand (participates in β ladder)trans-91.194.7160.100000108.6T283 A284 I286 C300 A315A281-T283 PolarHBondContact O-N 3.32Å; A281-A284 PolarHBondContact N-O 2.9Å; A281-A284 PolarHBondContact O-N 2.82Å; A281-I286 HydrophobicContact CB-CD1 3.98Å; A281-I286 HydrophobicContact CB-CG1 4Å; A281-I286 HydrophobicContact CB-CG2 3.9Å; A281-C300 HydrophobicContact CB-CB 3.72Å; A281-A315 HydrophobicContact CB-CB 4.05Å
282E87.1Confident91.8Very high124 Ų12462.4 Ų62.458%0.57935%0.353SS*.THydrogen-bonded Turntrans56-91.9-170.7-56.6-172.7175.400112.8
283T88.2Confident91.7Very high139 Ų13966.3 Ų66.385%0.85337%0.368SS*.THydrogen-bonded Turntrans-113.3-8.6176.159.40000113.8A281A281-T283 PolarHBondContact O-N 3.32Å
284A91.1Very high91.4Very high41 Ų4166.9 Ų66.934%0.33937%0.371SS..EExtended strand (participates in β ladder)trans-94.3147.6179.500000111.3F280 A281F280-A284 CarbonylContact C-O 3.6Å; F280-A284 WeakPolarHBondContact CA-O 3.28Å; A281-A284 PolarHBondContact N-O 2.9Å; A281-A284 PolarHBondContact O-N 2.82Å
285V93.9Very high91.1Very high67 Ų6765 Ų6541%0.40637%0.366SS..EExtended strand (participates in β ladder)trans-92.5123.5171.9179.90000109.1V260 N278 F280V260-V285 HydrophobicContact CG2-CG1 3.98Å; V260-V285 HydrophobicContact CG2-CG2 3.95Å; N278-V285 HydrophobicContact CB-CG1 3.77Å; F280-V285 HydrophobicContact CD1-CG2 3.93Å; F280-V285 HydrophobicContact CE1-CG2 3.74Å
286I93.6Very high90.8Very high6 Ų666.9 Ų66.93%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-116.6138.5174.563.5164000110.1N278 C279 A281 V292 C300 C302 A315N278-I286 VanDerWaalsContact CA-O 3.3Å; N278-I286 WeakPolarHBondContact CA-O 3.4Å; N278-I286 WeakPolarHBondContact CB-O 3.35Å; C279-I286 PolarHBondContact N-O 3.23Å; C279-I286 PolarHBondContact O-N 2.96Å; A281-I286 HydrophobicContact CB-CD1 3.98Å; A281-I286 HydrophobicContact CB-CG1 4Å; A281-I286 HydrophobicContact CB-CG2 3.9Å; I286-V292 HydrophobicContact CB-CB 4.36Å; I286-V292 HydrophobicContact CB-CG2 3.95Å; I286-V292 HydrophobicContact CD1-CG2 4.48Å; I286-V292 HydrophobicContact CG2-CB 3.9Å; I286-V292 HydrophobicContact CG2-CG1 4.04Å; I286-V292 HydrophobicContact CG2-CG2 3.97Å; I286-C300 HydrophobicContact CD1-CB 3.94Å; I286-C302 PolarHBondContact O-SG 2.7Å; I286-A315 HydrophobicContact CD1-CB 3.88Å; I286-A315 HydrophobicContact CG1-CB 4.42Å
287P93.6Very high90.6Very high36 Ų3666.8 Ų66.823%0.23437%0.366CS..EExtended strand (participates in β ladder)trans-75150.2177.432.9-34.8000110.9P277 R290P277-P287 WeakPolarHBondContact O-CA 3.4Å; P287-R290 VanDerWaalsContact CD-NH2 3.33Å; P287-R290 HydrophobicContact CG-CG 4.18Å; P287-R290 VanDerWaalsContact CG-NE 3.26Å
288A91.9Very high90.5Very high25 Ų2564.6 Ų64.621%0.20735%0.351CS..THydrogen-bonded Turntrans-69.9160.6-177.800000113P277 R290 C302 I311P277-A288 HydrophobicContact CB-CB 4.26Å; P277-A288 PolarHBondContact O-N 3.48Å; A288-R290 VanDerWaalsContact C-N 3.26Å; A288-R290 PolarHBondContact O-N 2.94Å; A288-C302 HydrophobicContact CB-CB 3.97Å; A288-I311 HydrophobicContact CB-CD1 3.42Å; A288-I311 VanDerWaalsContact CB-CD1 3.42Å; A288-I311 HydrophobicContact CB-CG1 4.04Å
289G87.9Confident90.4Very high72 Ų7266.7 Ų66.774%0.74236%0.362SS*.THydrogen-bonded Turntrans74.26.117700000115.7
290R88.2Confident90.4Very high141 Ų14166.7 Ų66.753%0.53236%0.362SS..SBendtrans-132.4146.117074177.3-161.8-162-0111.7P287 A288 V292P287-R290 VanDerWaalsContact CD-NH2 3.33Å; P287-R290 HydrophobicContact CG-CG 4.18Å; P287-R290 VanDerWaalsContact CG-NE 3.26Å; A288-R290 VanDerWaalsContact C-N 3.26Å; A288-R290 PolarHBondContact O-N 2.94Å; R290-V292 HydrophobicContact CG-CG2 3.84Å; R290-V292 VanDerWaalsContact NE-CG2 3.29Å
291E90.7Very high90.4Very high143 Ų14365.8 Ų65.867%0.66836%0.359SS*.  trans-79.9133.7165.7-57.3-173.7160.800109.1I299 H301E291-I299 HydrophobicContact CB-CG2 3.96Å; E291-H301 HydrophobicContact CG-CB 4.13Å
292V92Very high90.5Very high31 Ų3166.1 Ų66.119%0.18836%0.361CS..EExtended strand (participates in β ladder)trans-122.8130.1177.8-174.60000108.9I286 R290 T294 C300I286-V292 HydrophobicContact CB-CB 4.36Å; I286-V292 HydrophobicContact CB-CG2 3.95Å; I286-V292 HydrophobicContact CD1-CG2 4.48Å; I286-V292 HydrophobicContact CG2-CB 3.9Å; I286-V292 HydrophobicContact CG2-CG1 4.04Å; I286-V292 HydrophobicContact CG2-CG2 3.97Å; R290-V292 HydrophobicContact CG-CG2 3.84Å; R290-V292 VanDerWaalsContact NE-CG2 3.29Å; V292-T294 PolarHBondContact O-N 3.18Å; V292-C300 PolarHBondContact N-O 3.16Å; V292-C300 PolarHBondContact O-N 2.92Å
293K90.6Very high90.7Very high137 Ų13761.3 Ų61.360%0.59634%0.34SS*.EExtended strand (participates in β ladder)trans-81.5104.8172.5-176.5168.2-178.4173.30109.1D295 E296 T298K293-D295 WeakPolarHBondContact CE-O 3.32Å; K293-D295 WeakPolarHBondContact CG-O 3.43Å; K293-E296 WeakPolarHBondContact CE-O 3.29Å; K293-E296 PolarHBondContact NZ-O 2.79Å; K293-T298 CarbonylContact C-O 3.52Å; K293-T298 WeakPolarHBondContact CA-O 3.49Å
294T87.4Confident90.8Very high49 Ų4960 Ų6030%0.30132%0.32SS..  trans-78.7-44.5-177.2-51.40000111.2V292 T298 C300V292-T294 PolarHBondContact O-N 3.18Å; T294-T298 PolarHBondContact N-O 3.09Å; T294-C300 PolarHBondContact OG1-SG 2.88Å
295D85.1Confident90.7Very high78 Ų7862.2 Ų62.242%0.41732%0.324SS..SBendtrans-122175.9175.3-54.9-62.5000110.6K293 C297 T298K293-D295 WeakPolarHBondContact CE-O 3.32Å; K293-D295 WeakPolarHBondContact CG-O 3.43Å; D295-C297 PolarHBondContact O-N 3.4Å; D295-T298 PolarHBondContact N-O 3.07Å; D295-T298 PolarHBondContact O-N 3.16Å; D295-T298 WeakPolarHBondContact OD2-CB 3.29Å; D295-T298 PolarHBondContact OD2-OG1 3.04Å
296E83.9Confident90.3Very high156 Ų15668.2 Ų68.273%0.72935%0.347SS*.SBendtrans-50.5-26.4169.1-67.1-17517200113.8K293 C322K293-E296 WeakPolarHBondContact CE-O 3.29Å; K293-E296 PolarHBondContact NZ-O 2.79Å; E296-C322 PolarHBondContact O-SG 3.12Å
297C88.1Confident89.7Confident23 Ų2372.3 Ų72.316%0.15539%0.391CS..SBendtrans-122.4-9.9-175.1-50.10000115.6D295 R319 H320 C322D295-C297 PolarHBondContact O-N 3.4Å; C297-R319 HydrophobicContact CB-CG 4.2Å; C297-R319 CarbonylContact O-C 3.47Å; C297-R319 WeakPolarHBondContact O-CA 3.48Å; C297-H320 WeakPolarHBondContact CB-O 3.39Å; C297-H320 PolarHBondContact O-N 3.11Å; C297-C322 WeakPolarHBondContact CA-SG 3.36Å; C297-C322 HydrophobicContact CB-CB 4.34Å; C297-C322 WeakPolarHBondContact CB-SG 3.39Å; C297-C322 PolarHBondContact N-SG 2.96Å; C297-C322 VanDerWaalsContact N-SG 3.45Å; C297-C322 WeakPolarHBondContact SG-CB 3.36Å; C297-C322 CovalentContact SG-SG 2.03Å; C297-C322 PolarHBondContact SG-SG 2.83Å
298T91.4Very high89.1Confident8 Ų873 Ų735%0.04940%0.395CS..EExtended strand (participates in β ladder)trans-110.7119.5-168.3-450000109.6K293 T294 D295 C317K293-T298 CarbonylContact C-O 3.52Å; K293-T298 WeakPolarHBondContact CA-O 3.49Å; T294-T298 PolarHBondContact N-O 3.09Å; D295-T298 PolarHBondContact N-O 3.07Å; D295-T298 PolarHBondContact O-N 3.16Å; D295-T298 WeakPolarHBondContact OD2-CB 3.29Å; D295-T298 PolarHBondContact OD2-OG1 3.04Å; T298-C317 HydrophobicContact CG2-CB 4Å
299I92.3Very high88.6Confident47 Ų4783 Ų8324%0.24143%0.427CS..EExtended strand (participates in β ladder)trans-110.2125.1174.8-57.6177.5000107.6E291 C317 T318E291-I299 HydrophobicContact CB-CG2 3.96Å; I299-C317 CarbonylContact O-C 3.55Å; I299-C317 WeakPolarHBondContact O-CA 3.32Å; I299-T318 PolarHBondContact N-O 2.68Å; I299-T318 PolarHBondContact O-N 3.23Å; I299-T318 PolarHBondContact O-OG1 2.79Å
300C94.3Very high88.6Confident0 Ų085.3 Ų85.30%041%0.414CS..EExtended strand (participates in β ladder)trans-121.4144.3-178-60.30000111.2A281 I286 V292 T294 A315 M316 C317A281-C300 HydrophobicContact CB-CB 3.72Å; I286-C300 HydrophobicContact CD1-CB 3.94Å; V292-C300 PolarHBondContact N-O 3.16Å; V292-C300 PolarHBondContact O-N 2.92Å; T294-C300 PolarHBondContact OG1-SG 2.88Å; C300-A315 HydrophobicContact CB-CB 4.15Å; C300-M316 CarbonylContact C-O 3.56Å; C300-M316 VanDerWaalsContact CA-O 3.29Å; C300-M316 WeakPolarHBondContact CA-O 3.44Å; C300-C317 HydrophobicContact CB-CB 4.14Å; C300-C317 WeakPolarHBondContact CB-SG 3.25Å; C300-C317 WeakPolarHBondContact SG-CB 2.99Å; C300-C317 CovalentContact SG-SG 2.04Å; C300-C317 PolarHBondContact SG-SG 3.34Å
301H94.2Very high88.8Confident58 Ų5879.7 Ų79.727%0.26939%0.394SS..EExtended strand (participates in β ladder)trans-142.3150.5173.665.3-87.4000111.4E291 A315 M316E291-H301 HydrophobicContact CG-CB 4.13Å; H301-A315 CarbonylContact O-C 3.6Å; H301-A315 VanDerWaalsContact O-CA 3.31Å; H301-A315 WeakPolarHBondContact O-CA 3.42Å; H301-A315 WeakPolarHBondContact O-CB 3.45Å; H301-M316 PolarHBondContact N-O 3.05Å; H301-M316 PolarHBondContact O-N 2.81Å
302C94.3Very high88.8Confident8 Ų876.3 Ų76.35%0.05438%0.378CS..EExtended strand (participates in β ladder)trans-76.9129.5173.1-54.70000110.6C279 I286 A288 I311C279-C302 HydrophobicContact CB-CB 3.9Å; C279-C302 WeakPolarHBondContact CB-SG 3.44Å; C279-C302 PolarHBondContact N-SG 3.46Å; C279-C302 WeakPolarHBondContact SG-CA 3.08Å; C279-C302 WeakPolarHBondContact SG-CB 3.41Å; C279-C302 CovalentContact SG-SG 2.04Å; C279-C302 PolarHBondContact SG-SG 3.36Å; I286-C302 PolarHBondContact O-SG 2.7Å; A288-C302 HydrophobicContact CB-CB 3.97Å; C302-I311 HydrophobicContact CB-CG2 3.89Å
303T91.9Very high88.8Confident22 Ų2281 Ų8114%0.13539%0.393CS..EExtended strand (participates in β ladder)trans-95.7168.5173.934.60000111.7I311 E312 M316T303-I311 WeakPolarHBondContact O-CA 3.38Å; T303-E312 VanDerWaalsContact CB-OE2 3.29Å; T303-E312 WeakPolarHBondContact CB-OE2 3.48Å; T303-E312 PolarHBondContact O-N 2.9Å; T303-E312 PolarHBondContact OG1-OE2 2.94Å; T303-M316 HydrophobicContact CG2-CB 4.14Å; T303-M316 HydrophobicContact CG2-CE 3.97Å; T303-M316 HydrophobicContact CG2-CG 3.67Å; T303-M316 HydrophobicContact CG2-SD 3.75Å
304Y90.3Very high88.9Confident111 Ų11179.5 Ų79.544%0.43539%0.388SS..EExtended strand (participates in β ladder)trans-114.2142.2175.8-67-95.4000109.7R310 I311Y304-R310 CarbonylContact C-O 3.57Å; Y304-R310 VanDerWaalsContact CA-O 3.25Å; Y304-R310 WeakPolarHBondContact CA-O 3.04Å; Y304-I311 HydrophobicContact CD1-CG1 3.84Å; Y304-I311 HydrophobicContact CE1-CD1 4.11Å; Y304-I311 HydrophobicContact CE1-CG1 3.45Å; Y304-I311 VanDerWaalsContact CE1-CG1 3.45Å
305E89.4Confident89.3Confident88 Ų8877.6 Ų77.641%0.41138%0.377SS..  trans-64.5134.4177.8175.4-176.2-128.900110.8G307 T308 R310 E312E305-G307 PolarHBondContact O-N 2.86Å; E305-G307 VanDerWaalsContact O-N 3.15Å; E305-T308 HydrophobicContact CG-CG2 4.35Å; E305-T308 PolarHBondContact O-N 3.17Å; E305-T308 WeakPolarHBondContact OE2-CG2 3.35Å; E305-T308 PolarHBondContact OE2-OG1 3.26Å; E305-R310 PolarHBondContact N-O 3.09Å; E305-E312 HydrophobicContact CB-CG 4.45Å
306E84.5Confident89.7Confident193 Ų19378.8 Ų78.890%0.90238%0.381SS*.THydrogen-bonded Turntrans-59.7121.4-174.8-67.7-170.816700112.5T308E306-T308 VanDerWaalsContact C-N 3.32Å; E306-T308 PolarHBondContact O-N 3.23Å
307G81.3Confident90.1Very high92 Ų9273.7 Ų73.795%0.94836%0.363SS*.THydrogen-bonded Turntrans82.10.1-179.900000115.2E305E305-G307 PolarHBondContact O-N 2.86Å; E305-G307 VanDerWaalsContact O-N 3.15Å
308T80.9Confident90.3Very high51 Ų5175.8 Ų75.831%0.31338%0.375SS..SBendtrans-126.2149.3171.290.70000110.5E305 E306 R310E305-T308 HydrophobicContact CG-CG2 4.35Å; E305-T308 PolarHBondContact O-N 3.17Å; E305-T308 WeakPolarHBondContact OE2-CG2 3.35Å; E305-T308 PolarHBondContact OE2-OG1 3.26Å; E306-T308 VanDerWaalsContact C-N 3.32Å; E306-T308 PolarHBondContact O-N 3.23Å; T308-R310 PolarHBondContact O-N 2.82Å; T308-R310 VanDerWaalsContact OG1-CB 3.24Å; T308-R310 WeakPolarHBondContact OG1-CB 3.06Å; T308-R310 WeakPolarHBondContact OG1-CD 3.45Å; T308-R310 VanDerWaalsContact OG1-CG 3.27Å; T308-R310 WeakPolarHBondContact OG1-CG 3.01Å; T308-R310 PolarHBondContact OG1-N 2.88Å
309W82.9Confident90.2Very high235 Ų23585.1 Ų85.189%0.8941%0.409SS*.SBendtrans-79.925.7174.2-66.6107.7000112.5
310R87.8Confident89.9Confident120 Ų12087.8 Ų87.845%0.45342%0.42SS..PPolyproline II helixtrans-94.1135.5-176.2-59.9172165.6-146.7-10.6110Y304 E305 T308Y304-R310 CarbonylContact C-O 3.57Å; Y304-R310 VanDerWaalsContact CA-O 3.25Å; Y304-R310 WeakPolarHBondContact CA-O 3.04Å; E305-R310 PolarHBondContact N-O 3.09Å; T308-R310 PolarHBondContact O-N 2.82Å; T308-R310 VanDerWaalsContact OG1-CB 3.24Å; T308-R310 WeakPolarHBondContact OG1-CB 3.06Å; T308-R310 WeakPolarHBondContact OG1-CD 3.45Å; T308-R310 VanDerWaalsContact OG1-CG 3.27Å; T308-R310 WeakPolarHBondContact OG1-CG 3.01Å; T308-R310 PolarHBondContact OG1-N 2.88Å
311I90.7Very high89.3Confident24 Ų2497.5 Ų97.512%0.12347%0.465CS..EExtended strand (participates in β ladder)trans-75.2133.3176-71150.2000109.7P277 C279 A288 C302 T303 Y304P277-I311 HydrophobicContact CB-CD1 3.27Å; P277-I311 HydrophobicContact CG-CD1 4.33Å; C279-I311 HydrophobicContact CB-CG2 4.19Å; A288-I311 HydrophobicContact CB-CD1 3.42Å; A288-I311 VanDerWaalsContact CB-CD1 3.42Å; A288-I311 HydrophobicContact CB-CG1 4.04Å; C302-I311 HydrophobicContact CB-CG2 3.89Å; T303-I311 WeakPolarHBondContact O-CA 3.38Å; Y304-I311 HydrophobicContact CD1-CG1 3.84Å; Y304-I311 HydrophobicContact CE1-CD1 4.11Å; Y304-I311 HydrophobicContact CE1-CG1 3.45Å; Y304-I311 VanDerWaalsContact CE1-CG1 3.45Å
312E91.8Very high88.3Confident72 Ų7297.1 Ų97.134%0.33647%0.469SS..EExtended strand (participates in β ladder)trans-66.7136.1171.8-62.7-167.9131.300109.8C279 T303 E305 Q314C279-E312 VanDerWaalsContact CB-O 3.22Å; C279-E312 WeakPolarHBondContact CB-O 3.3Å; T303-E312 VanDerWaalsContact CB-OE2 3.29Å; T303-E312 WeakPolarHBondContact CB-OE2 3.48Å; T303-E312 PolarHBondContact O-N 2.9Å; T303-E312 PolarHBondContact OG1-OE2 2.94Å; E305-E312 HydrophobicContact CB-CG 4.45Å; E312-Q314 PolarHBondContact O-N 2.04Å; E312-Q314 VanDerWaalsContact O-N 3.16Å
313R91.9Very high87Confident130 Ų130107.4 Ų107.449%0.49151%0.506SS..EExtended strand (participates in β ladder)trans-65.1-19.8-177.6-69.6-177.3178.4-87.5-2.8113.2V260 F280V260-R313 HydrophobicContact CG1-CB 4.03Å; V260-R313 HydrophobicContact CG1-CG 4.17Å; F280-R313 PolarHBondContact N-O 3.17Å
314Q93.6Very high85.4Confident104 Ų104115.6 Ų115.649%0.48654%0.543SS..EExtended strand (participates in β ladder)trans-111134.3178.2-161.969.220.600109.5F280 E312F280-Q314 PolarHBondContact O-NE2 2.97Å; E312-Q314 PolarHBondContact O-N 2.04Å; E312-Q314 VanDerWaalsContact O-N 3.16Å
315A94.2Very high83.7Confident10 Ų10122.2 Ų122.28%0.08358%0.581CS.*EExtended strand (participates in β ladder)trans-72.4147.6172.700000111.3F280 A281 I286 C300 H301F280-A315 WeakPolarHBondContact O-CB 3.41Å; F280-A315 PolarHBondContact O-N 3.08Å; A281-A315 HydrophobicContact CB-CB 4.05Å; I286-A315 HydrophobicContact CD1-CB 3.88Å; I286-A315 HydrophobicContact CG1-CB 4.42Å; C300-A315 HydrophobicContact CB-CB 4.15Å; H301-A315 CarbonylContact O-C 3.6Å; H301-A315 VanDerWaalsContact O-CA 3.31Å; H301-A315 WeakPolarHBondContact O-CA 3.42Å; H301-A315 WeakPolarHBondContact O-CB 3.45Å
316M93.7Very high83.5Confident103 Ų103123.9 Ų123.951%0.50759%0.59SS.*EExtended strand (participates in β ladder)trans-82.7127.4161.4-68.7-160.5-172.500109.5C300 H301 T303C300-M316 CarbonylContact C-O 3.56Å; C300-M316 VanDerWaalsContact CA-O 3.29Å; C300-M316 WeakPolarHBondContact CA-O 3.44Å; H301-M316 PolarHBondContact N-O 3.05Å; H301-M316 PolarHBondContact O-N 2.81Å; T303-M316 HydrophobicContact CG2-CB 4.14Å; T303-M316 HydrophobicContact CG2-CE 3.97Å; T303-M316 HydrophobicContact CG2-CG 3.67Å; T303-M316 HydrophobicContact CG2-SD 3.75Å
317C92.9Very high83.4Confident49 Ų49120.3 Ų120.333%0.33157%0.573SS.*EExtended strand (participates in β ladder)trans-118124.9-178.2-65.30000111T298 I299 C300T298-C317 HydrophobicContact CG2-CB 4Å; I299-C317 CarbonylContact O-C 3.55Å; I299-C317 WeakPolarHBondContact O-CA 3.32Å; C300-C317 HydrophobicContact CB-CB 4.14Å; C300-C317 WeakPolarHBondContact CB-SG 3.25Å; C300-C317 WeakPolarHBondContact SG-CB 2.99Å; C300-C317 CovalentContact SG-SG 2.04Å; C300-C317 PolarHBondContact SG-SG 3.34Å
318T91.9Very high83.5Confident67 Ų67121.8 Ų121.841%0.41155%0.552SS.*EExtended strand (participates in β ladder)trans-105.7129.3173.153.70000110.3I299 H320I299-T318 PolarHBondContact N-O 2.68Å; I299-T318 PolarHBondContact O-N 3.23Å; I299-T318 PolarHBondContact O-OG1 2.79Å; T318-H320 PolarHBondContact OG1-NE2 3.02Å
319R89.8Confident83.7Confident204 Ų204126 Ų12677%0.7757%0.566SS**EExtended strand (participates in β ladder)trans-97.5121.8175.6-170.1175.8-179.3133.7-0.3109.7C297C297-R319 HydrophobicContact CB-CG 4.2Å; C297-R319 CarbonylContact O-C 3.47Å; C297-R319 WeakPolarHBondContact O-CA 3.48Å
320H85.4Confident83.7Confident103 Ų103119.2 Ų119.248%0.47755%0.546SS..  trans-102.3159.2179.4-63.3-88000111.4C297 T318 C322C297-H320 WeakPolarHBondContact CB-O 3.39Å; C297-H320 PolarHBondContact O-N 3.11Å; T318-H320 PolarHBondContact OG1-NE2 3.02Å; H320-C322 PolarHBondContact O-N 2.66Å; H320-C322 VanDerWaalsContact O-N 3.14Å
321E81.3Confident83.5Confident203 Ų203119.1 Ų119.195%0.94955%0.552SS**  trans-71.9104.7175.8-66.8-175173.200110.9
322C73.9Confident82.9Confident50 Ų50125.9 Ų125.934%0.33858%0.583SS.*  trans-79.4132165.9-62.50000110.8E296 C297 H320 Q324E296-C322 PolarHBondContact O-SG 3.12Å; C297-C322 WeakPolarHBondContact CA-SG 3.36Å; C297-C322 HydrophobicContact CB-CB 4.34Å; C297-C322 WeakPolarHBondContact CB-SG 3.39Å; C297-C322 PolarHBondContact N-SG 2.96Å; C297-C322 VanDerWaalsContact N-SG 3.45Å; C297-C322 WeakPolarHBondContact SG-CB 3.36Å; C297-C322 CovalentContact SG-SG 2.03Å; C297-C322 PolarHBondContact SG-SG 2.83Å; H320-C322 PolarHBondContact O-N 2.66Å; H320-C322 VanDerWaalsContact O-N 3.14Å; C322-Q324 PolarHBondContact O-N 2.75Å
323R66Low82.3Confident224 Ų224130.1 Ų130.185%0.84560%0.602SS**  trans-67.8112.9149.9-85.5-178164.6176.1-5.1108.4M325R323-M325 PolarHBondContact O-N 3.36Å
324Q60.2Low81.5Confident195 Ų195130.1 Ų130.191%0.91161%0.611SS**  trans-57.3123.2151.2-75175.9-39.600107.1C322C322-Q324 PolarHBondContact O-N 2.75Å
325M54.8Low80.4Confident249 Ų249132.5 Ų132.5100%1.22762%0.623SS**  trans-100.30175.3-61.1-169.4-170.300109.8R323R323-M325 PolarHBondContact O-N 3.36Å

Retrieved 325 of 325 residues in 1630 ms (Link to these results)