STNB_DROME Loading...

Protein stoned-B

Adapter protein involved in endocytic recycling of synaptic vesicles membranes. May act by mediating the retrieval of synaptotagmin protein Syt from the plasma membrane, thereby facilitating the internalization of multiple synaptic vesicles from the plasma membrane.

AlphaFold DB , UniProt , Accession Q24212, Species DROME (Drosophila melanogaster, Fruit fly), Gene stnB, Length 1,262 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M36.5Very low40.8Very low182 Ų182144.2 Ų144.290%0.89777%0.765SS**  0140.70-88-176.9174.500107.3N3 E899M1-N3 PolarHBondContact O-N 2.95Å; M1-E899 PolarHBondContact N-OE1 2.81Å
2A36.5Very low40.5Very low100 Ų100145.5 Ų145.583%0.82677%0.773SS**  trans-56.8121-172.500000112.8P4A2-P4 WeakPolarHBondContact O-CD 3.41Å
3N38.7Very low40.1Very low105 Ų105140.5 Ų140.556%0.56178%0.777SS**  trans-76.4117.2179.9-178.64.7000110.1M1 F5M1-N3 PolarHBondContact O-N 2.95Å; N3-F5 PolarHBondContact O-N 3.48Å
4P50.3Low39.7Very low112 Ų112139.2 Ų139.273%0.72778%0.781SS**THydrogen-bonded Turntrans-76.425.2-170.132.9-37.6000114.7A2A2-P4 WeakPolarHBondContact O-CD 3.41Å
5F42Very low39.5Very low178 Ų178140 Ų14078%0.78178%0.782SS**THydrogen-bonded Turntrans-130.711.1-176.5-66.3-71.4000114.2N3N3-F5 PolarHBondContact O-N 3.48Å
6L42.3Very low39.3Very low97 Ų97137.8 Ų137.851%0.50879%0.787SS.*  trans-113.599.3167.4-129.884.2000109.9
7M37.2Very low39.4Very low186 Ų186135.9 Ų135.992%0.91679%0.792SS**  trans-114.4103.9155.1-75.2-167.3166.400106.6
8D40.4Very low39.4Very low119 Ų119134.2 Ų134.264%0.63680%0.797SS**  trans-70129.1170.9-66.1-56000107.9D10 R900D8-D10 PolarHBondContact O-N 3.48Å; D8-R900 IonicContact OD2-NH1 3.6Å; D8-R900 IonicContact OD2-NH2 2.6Å
9E40.5Very low39.1Very low192 Ų192133.6 Ų133.690%0.89779%0.789SS**  trans-80110.7-176.1-67177.9100.800112.1
10D43.5Very low39.4Very low157 Ų157132.6 Ų132.684%0.8479%0.787SS**  trans-149.4127.7151.9-109.7-40.4000109.5D8D8-D10 PolarHBondContact O-N 3.48Å
11L40.6Very low39.3Very low158 Ų158135.4 Ų135.483%0.82779%0.79SS**  trans-94.8133.2-172.9-122.678.1000111.7
12D37.5Very low39.3Very low160 Ų160133.3 Ų133.386%0.85678%0.781SS**  161.5114123.9-84.5-24.2000111.3
13G34.8Very low39.2Very low80 Ų80137 Ų13783%0.82578%0.784SS**  trans157.1107.2173.300000115.9
14C35.1Very low39Very low123 Ų123139.5 Ų139.583%0.83179%0.792SS**  trans-33.5159.5-176.9-61.30000121.7
15D36Very low38.3Very low151 Ų151139.9 Ų139.981%0.80780%0.797SS**  trans7978.3150.3-62.6-9.4000121.2
16A37Very low37.9Very low104 Ų104138.9 Ų138.986%0.8680%0.795SS**  64.289.811900000120.1
17A40.7Very low37.6Very low106 Ų106139.4 Ų139.488%0.87680%0.804SS**  trans-133.2145.4145.500000109.6
18A39.3Very low37.3Very low106 Ų106138.1 Ų138.188%0.87680%0.796SS**  trans-79.9146-164.700000114.6
19N35Very low37.2Very low122 Ų122138.1 Ų138.165%0.65280%0.802SS**  trans-95.5115.2178.6-167.9-8.4000109.9F21 L22N19-F21 PolarHBondContact O-N 3.47Å; N19-L22 PolarHBondContact O-N 3.18Å
20P44Very low36.9Very low114 Ų114133 Ų13374%0.7479%0.787SS**THydrogen-bonded Turntrans-75.313.9-160.729.8-37.3000116.6
21F38.1Very low36.6Very low192 Ų192130.4 Ų130.484%0.84278%0.782SS**THydrogen-bonded Turntrans-132.25.1179.9-82-77.1000115.1N19N19-F21 PolarHBondContact O-N 3.47Å
22L36Very low36.4Very low138 Ų138130.3 Ų130.372%0.72378%0.782SS**SBendtrans-150.2144.6173.2-143.773.9000111.2N19N19-L22 PolarHBondContact O-N 3.18Å
23M34.5Very low36.2Very low178 Ų178129.5 Ų129.588%0.87778%0.778SS**  trans68.8151.1-163.5-42.2-171-169.600112.9
24Q34.5Very low36.5Very low156 Ų156131.4 Ų131.473%0.72978%0.776SS**  cis-119.61412.3-66.6167.7-84.800111.5E26Q24-E26 PolarHBondContact NE2-OE2 3.32Å
25S35.1Very low36.2Very low120 Ų120133.7 Ų133.784%0.83977%0.772SS**  trans-100.2105.2156.355.50000108.2
26E35Very low36.1Very low158 Ų158134.3 Ų134.374%0.73877%0.772SS**  trans-126.2156.5171.1-77.9-157118.900111.3Q24Q24-E26 PolarHBondContact NE2-OE2 3.32Å
27P36.2Very low36Very low107 Ų107134.3 Ų134.370%0.69577%0.772SS**  trans-117.2158.8-146.340.3-30.5000115.5
28E29Very low35.8Very low160 Ų160134 Ų13475%0.74877%0.77SS**  trans64.5134.7164.6-65.1-65.8122.500116.7S30E28-S30 PolarHBondContact OE2-N 2.63Å
29P38.6Very low35.5Very low118 Ų118135.1 Ų135.177%0.76677%0.766SS**  -134.6117.58835.4-23.9000114.7
30S34.3Very low35.5Very low84 Ų84135.5 Ų135.559%0.58777%0.772SS**  21.3136.5129.660.10000120.3E28E28-S30 PolarHBondContact OE2-N 2.63Å
31S38.5Very low35.2Very low103 Ų103134.3 Ų134.372%0.7277%0.772SS**  trans69.7130.617365.50000116.1
32D35.9Very low35.2Very low157 Ų157130.2 Ų130.284%0.8477%0.767SS**  cis-145.3152-0.7-95.5-30.9000112.3
33N33.9Very low35.4Very low142 Ų142131.3 Ų131.376%0.75977%0.773SS**  trans-92.2143.5166.3-106.2-45.9000109.9
34P40Very low35.8Very low121 Ų121127.9 Ų127.979%0.78677%0.765SS**  -138.7125.9108.734.4-21.9000111.7
35F29.8Very low35.9Very low170 Ų170130.9 Ų130.975%0.74678%0.776SS**  73.3103.156.5-139.9-111.5000114.8
36M32Very low35.9Very low165 Ų165129.4 Ų129.481%0.81377%0.771SS**  trans96.1152.7156.2-51-148.3-65.800122
37A36Very low36Very low104 Ų104132.3 Ų132.386%0.8678%0.781SS**  trans75.5131.5170.500000117.4
38A36.5Very low35.9Very low100 Ų100130.9 Ų130.983%0.82679%0.786SS**  cis-155.2162-11.200000113.6
39T32.3Very low36.3Very low129 Ų129127.1 Ų127.179%0.79178%0.782SS**  trans-68.4158.5174.650.50000115.3
40V35.6Very low36.2Very low130 Ų130128.4 Ų128.479%0.78878%0.783SS**  168.7138.2119.5149.90000114.1
41A38.3Very low36.5Very low89 Ų89130.6 Ų130.674%0.73679%0.788SS**  trans62.1154.5156.700000120.7
42S36.9Very low36.4Very low105 Ų105132 Ų13273%0.73479%0.786SS**  cis-166142.6-17.445.80000112.3
43N40.4Very low36.3Very low161 Ų161131.6 Ų131.686%0.86178%0.78SS**  trans-92156163.7-74.2-0.7000111.2
44P43.2Very low36.3Very low107 Ų107132.4 Ų132.470%0.69578%0.783SS**  trans-144.5110.6142.234.6-17.1000114.3
45F36Very low36Very low219 Ų219129.8 Ų129.896%0.96178%0.779SS**  trans-165.2121135.1-91.1-58.2000107.6
46A35.2Very low36.1Very low89 Ų89126.3 Ų126.374%0.73678%0.781SS**  trans-154128.6-167.300000113.7
47F37.8Very low36.2Very low218 Ų218126.7 Ų126.796%0.95678%0.781SS**  trans-147.4134.1148.2-67.8-76.8000104
48G34.5Very low36.5Very low77 Ų77126.4 Ų126.479%0.79477%0.77SS**  cis113.1124.824.400000107.7
49A36.3Very low36.3Very low82 Ų82130.1 Ų130.168%0.67877%0.77SS**  cis-156.9177.6-0.300000109.7
50D37.6Very low36.4Very low145 Ų145128.3 Ų128.378%0.77577%0.768SS**  trans42.9134.6147.2-46-19.8000119.5
51D39.6Very low36.2Very low130 Ų130131 Ų13170%0.69577%0.773SS**  cis-162.6153.828.1-120.7-13.8000111.7
52L37.7Very low36Very low131 Ų131129.9 Ų129.969%0.68676%0.763SS**  trans34.7147.5134.1-60.3172.5000122.4
53E33.3Very low35.6Very low149 Ų149130.7 Ų130.770%0.69676%0.764SS**  cis-177157.7-20.1-133.4-173.1-178.100108.8
54L34Very low35.4Very low159 Ų159131.7 Ų131.783%0.83276%0.763SS**  trans59.5143156.2-58164.3000120
55G32.8Very low34.8Very low67 Ų67133 Ų13369%0.69176%0.764SS**  cis164.5170.6-5.200000113.3
56A33.1Very low34.8Very low96 Ų96129.8 Ų129.879%0.79376%0.757SS**  trans67.3126.5175.500000117.8
57E33.8Very low34.7Very low174 Ų174133 Ų13381%0.81376%0.762SS**  cis73.2146.936.1-61.4-81.2114.900115.1
58P41.5Very low34.6Very low98 Ų98130.6 Ų130.664%0.63676%0.758SS**  cis-139.7-125.2-43.740.4-21000111.8
59E33.5Very low34.6Very low177 Ų177132.9 Ų132.983%0.82775%0.752SS**  trans78.9112176.7-61.3-175.7-178.400115.8
60A32.9Very low34.6Very low91 Ų91134.9 Ų134.975%0.75276%0.758SS**  75.3143.378.600000112.5
61E32.7Very low34.4Very low188 Ų188131.4 Ų131.488%0.87975%0.749SS**  cis-161.91714.5-126-175.7-109.800106.7
62A32.4Very low34.1Very low65 Ų65134.3 Ų134.354%0.53776%0.761SS.*  cis-160.5175.8-0.100000110.7
63T30.1Very low34Very low121 Ų121132.8 Ų132.874%0.74276%0.761SS**  trans23.2123.915257.10000122
64H35.1Very low34Very low182 Ų182133.6 Ų133.684%0.84376%0.763SS**  -168126117.6-118.4-67.6000113.2
65D31.8Very low34Very low135 Ų135133 Ų13372%0.72275%0.754SS**  trans-76.3155.6171.8-44.6-89.5000112.2
66N35.2Very low33.8Very low152 Ų152132.1 Ų132.181%0.81375%0.745SS**  trans-176.4120.7146.2-102.2-77000109.5
67D32.5Very low33.7Very low157 Ų157133.9 Ų133.984%0.8475%0.746SS**  trans-69.7138.8173.9-64.9-81.1000112.5
68L36.3Very low33.6Very low166 Ų166130.9 Ų130.987%0.86974%0.74SS**  trans-13786.1171.7-88172.7000111.4
69D34.4Very low33.1Very low126 Ų126134.4 Ų134.467%0.67475%0.751SS**  trans-9.7118.1155.318015.7000116.4A71D69-A71 PolarHBondContact O-N 2.68Å; D69-A71 VanDerWaalsContact OD1-CB 3.27Å; D69-A71 WeakPolarHBondContact OD1-CB 3.24Å; D69-A71 PolarHBondContact OD1-N 2.76Å; D69-A71 VanDerWaalsContact OD1-N 3.13Å; D69-A71 VanDerWaalsContact OD2-CB 3.25Å; D69-A71 WeakPolarHBondContact OD2-CB 3.42Å
70P35.7Very low33.1Very low124 Ų124134.2 Ų134.281%0.80575%0.75SS**  trans-77.825178.134.1-36000114.6M72P70-M72 PolarHBondContact O-N 3.49Å
71A33.2Very low33.1Very low71 Ų71134.7 Ų134.759%0.58775%0.754SS**  trans-69.619.7-177.900000117D69D69-A71 PolarHBondContact O-N 2.68Å; D69-A71 VanDerWaalsContact OD1-CB 3.27Å; D69-A71 WeakPolarHBondContact OD1-CB 3.24Å; D69-A71 PolarHBondContact OD1-N 2.76Å; D69-A71 VanDerWaalsContact OD1-N 3.13Å; D69-A71 VanDerWaalsContact OD2-CB 3.25Å; D69-A71 WeakPolarHBondContact OD2-CB 3.42Å
72M34Very low33.2Very low191 Ų191135.1 Ų135.194%0.94176%0.756SS**  trans-142.582.8166.7-83.1-152-75.300113.7P70P70-M72 PolarHBondContact O-N 3.49Å
73S35.1Very low33.2Very low100 Ų100138.4 Ų138.470%0.69977%0.765SS**  trans-120.385.6157.2-170.30000110.4
74F34Very low33.5Very low166 Ų166136.8 Ų136.873%0.72875%0.752SS**SBendtrans-87.9123.8171.6-155.9-98.3000107.3L853F74-L853 HydrophobicContact CZ-CD2 4.23Å
75F33.2Very low33.4Very low146 Ų146134.1 Ų134.164%0.6475%0.748SS**  trans76.559.9-161.5-60-84000116L831F75-L831 HydrophobicContact CZ-CD1 4.44Å
76G29.7Very low33.5Very low49 Ų49135 Ų13551%0.50575%0.752SS.*  trans-103.374.3163.700000113.1T78G76-T78 PolarHBondContact O-N 2.96Å
77T30.2Very low33.3Very low133 Ų133133.3 Ų133.382%0.81675%0.753SS**  trans-85.959.9170.550.50000111.2I79T77-I79 PolarHBondContact O-N 3.44Å
78T33.2Very low33.3Very low111 Ų111133.4 Ų133.468%0.68175%0.752SS**  trans-77.6106178.645.30000111.2G76 E80G76-T78 PolarHBondContact O-N 2.96Å; T78-E80 PolarHBondContact O-N 2.96Å
79I30.9Very low33.1Very low171 Ų171135.4 Ų135.488%0.87775%0.754SS**  trans-78.188165.6-60.3173.3000107.5T77T77-I79 PolarHBondContact O-N 3.44Å
80E32.6Very low33.1Very low173 Ų173135 Ų13581%0.80876%0.761SS**  trans-14095.1175.9-72.8-169.9-16700111.4T78T78-E80 PolarHBondContact O-N 2.96Å
81A32.8Very low33Very low101 Ų101132.7 Ų132.784%0.83576%0.759SS**SBendtrans-163.6-2.316600000115.6
82E35.2Very low32.9Very low197 Ų197134 Ų13492%0.92177%0.77SS**  trans-121.653.4-172.9-66-169.1-157.300112.7
83D33Very low33Very low135 Ų135134.4 Ų134.472%0.72277%0.769SS**  trans-121.282.9-179.3-166.43.9000112.5
84D34.6Very low33Very low86 Ų86138.6 Ų138.646%0.4678%0.778SS.*SBendtrans-140.619.8169.4-132.8-5.8000113.1K739 R745D84-K739 VanDerWaalsContact OD1-CD 3.31Å; D84-K739 WeakPolarHBondContact OD1-CD 3.28Å; D84-K739 WeakPolarHBondContact OD1-CE 3.39Å; D84-K739 IonicContact OD1-NZ 2.61Å; D84-K739 PolarHBondContact OD1-NZ 2.71Å; D84-R745 IonicContact OD2-NH1 3.67Å; D84-R745 PolarHBondContact OD2-NH1 3.23Å
85T34.5Very low33.1Very low126 Ų126140.1 Ų140.177%0.77379%0.788SS**SBendtrans-149.691170.250.40000112.8
86L33.9Very low33.4Very low154 Ų154140.3 Ų140.381%0.80680%0.795SS**  trans-178.3124.9140.9-101.4172.3000108.9
87S30.3Very low33.8Very low117 Ų117144.9 Ų144.982%0.81880%0.804SS**  trans-160.574.2175.5-75.20000110.5
88L33.5Very low34Very low159 Ų159141.4 Ų141.483%0.83279%0.794SS**  trans-124.679171.5-74.2177.4000110.6S90L88-S90 PolarHBondContact O-N 3.31Å
89K31.9Very low34.3Very low208 Ų208143.9 Ų143.990%0.90480%0.795SS**  trans2.3100.8136.6-174.1-173.1-176.3-171.30114.8
90S33.9Very low34.5Very low118 Ų118145.1 Ų145.183%0.82579%0.794SS**  trans-89.8118.3157.343.50000109.6L88L88-S90 PolarHBondContact O-N 3.31Å
91G33.2Very low34.8Very low74 Ų74142.6 Ų142.676%0.76379%0.793SS**  trans-75.7163.2157.600000109.9
92A30.9Very low35.2Very low98 Ų98142.4 Ų142.481%0.8178%0.783SS**  trans-108.9142.8171.600000109.7
93E36.3Very low35.2Very low200 Ų200141.8 Ų141.894%0.93578%0.78SS**  trans-127.5147.4164.2-64.7-169.9138.700108.3
94E34.8Very low35.4Very low189 Ų189141 Ų14188%0.88379%0.786SS**  trans-110151.4-172.6-58.9-176.7112.700111.3
95E37.3Very low35.4Very low198 Ų198146 Ų14693%0.92581%0.806SS**  trans171.7144.6149.4-98.2179.9-168.300108.1
96D38.6Very low35.6Very low149 Ų149145.8 Ų145.880%0.79781%0.807SS**  cis-161.3-172.6-19.3-174.123.3000109.1
97E37.1Very low35.8Very low146 Ų146146.8 Ų146.868%0.68281%0.807SS**  trans82.959.7157.6-92.4-96.681.300118.5K99E97-K99 IonicContact OE1-NZ 3.82Å; E97-K99 PolarHBondContact OE1-NZ 3.15Å; E97-K99 IonicContact OE2-NZ 2.81Å
98G35.2Very low36Very low60 Ų60147.7 Ų147.762%0.61980%0.802SS**  trans-44.3-176.4159.800000121.2
99K39Very low36.2Very low162 Ų162148 Ų14870%0.70480%0.8SS**  trans-168.3111.3141.5-99.9147.3-15084.10115E97E97-K99 IonicContact OE1-NZ 3.82Å; E97-K99 PolarHBondContact OE1-NZ 3.15Å; E97-K99 IonicContact OE2-NZ 2.81Å
100K36Very low36.4Very low197 Ų197142.4 Ų142.486%0.85779%0.787SS**  trans54.1117143.4-66.3-171.8174.8-178.60122.7
101P39.8Very low36.7Very low121 Ų121146 Ų14679%0.78679%0.79SS**  trans-84.9-159.8157.839.8-35.1000110.5
102P39.9Very low36.8Very low96 Ų96146.6 Ų146.662%0.62379%0.787SS**  cis-151.9-164.414.346.8-24.7000119.3
103Q35.4Very low37.5Very low184 Ų184151.1 Ų151.186%0.8679%0.791SS**  trans76152.2157.2-70.8161.110.300117.5
104S38.2Very low37.8Very low120 Ų120147.1 Ų147.184%0.83978%0.783SS**  cis-144.5-169.816.2610000114.6
105Q34.5Very low38Very low190 Ų190147.2 Ų147.289%0.88878%0.783SS**  trans-91.5166.4-157.8-77.6172.5-40.500117.9
106P38.9Very low38.9Very low121 Ų121142.7 Ų142.779%0.78677%0.771SS**  trans-102.8167.4178.640.6-35.8000115
107Q36.8Very low39.9Very low175 Ų175141.1 Ų141.182%0.81877%0.769SS**  trans-150.2134.8160.6-74.6-162.4-16.100113.3
108L35.7Very low40.9Very low136 Ų136140 Ų14071%0.71277%0.774SS**  45.5145.3129.7-53.3167.7000119.9
109Q37.5Very low41.7Very low166 Ų166142.9 Ų142.978%0.77678%0.782SS**  cis-157.5168.816.3-139.1157.127.600113.1
110S35.2Very low42.4Very low91 Ų91145.8 Ų145.864%0.63679%0.788SS**  trans-51.1150.3-177.554.30000118.8
111H39.7Very low43.5Very low194 Ų194142 Ų14290%0.89878%0.784SS**  -162.2148.2116.3-94.8-64.9000110.5
112A36.8Very low44.3Very low85 Ų85144.1 Ų144.170%0.70279%0.788SS**  trans-116.4145.5-17000000113.3
113H44.4Very low45.6Very low193 Ų193144.9 Ų144.989%0.89479%0.79SS**  trans-165.1168.9159.2-94.1-41.1000108.9
114P42.5Very low47.1Very low117 Ų117138.9 Ų138.976%0.7677%0.767SS**PPolyproline II helixtrans-77.4159.7-130.530.6-38.1000117.2
115H39.9Very low49Very low191 Ų191137.3 Ų137.388%0.88475%0.754SS**PPolyproline II helixtrans-64.8130.7-176.3-77.7-97.8000114.2
116P55.6Low50.9Low103 Ų103135.7 Ų135.767%0.66975%0.747SS**PPolyproline II helixtrans-79.7165.5157.935-33.5000111.2
117P60.9Low52.8Low116 Ų116134.4 Ų134.475%0.75374%0.741SS**PPolyproline II helixtrans-62.2156.6175.426.4-35.7000112.8
118P57.2Low54.5Low123 Ų123128.7 Ų128.780%0.79972%0.718SS**PPolyproline II helixtrans-62144.6-174.124.6-34.6000112.7
119P52Low56.4Low120 Ų120126.5 Ų126.578%0.77970%0.704SS**PPolyproline II helixtrans-68.3141.4-179.229-34.6000111.4
120R54.8Low58.5Low222 Ų222123.1 Ų123.184%0.83869%0.691SS**PPolyproline II helixtrans-60.5139.2171.5-173.4177.2-65.1-146-1109.6L122R120-L122 PolarHBondContact O-N 3.02Å
121P58.2Low60.6Low117 Ų117124.2 Ų124.276%0.7669%0.69SS**PPolyproline II helixtrans-52.3135.1176.5-27.635.2000111.9
122L55.8Low62.4Low167 Ų167120 Ų12087%0.87467%0.673SS**PPolyproline II helixtrans-68.5137.9171.2-85.383.5000109.5R120R120-L122 PolarHBondContact O-N 3.02Å
123V67Low64.3Low111 Ų111119.2 Ų119.267%0.67366%0.662SS**PPolyproline II helixtrans-62.6131.3170.7-176.50000108.2Q129V123-Q129 VanDerWaalsContact CG1-NE2 3.31Å
124P67Low66.2Low58 Ų58113.4 Ų113.438%0.37764%0.64SS.*PPolyproline II helixtrans-59.7146.8176.924.2-33.7000110.8T128 Q129P124-T128 HydrophobicContact CB-CG2 4.11Å; P124-Q129 HydrophobicContact CG-CG 4.05Å
125P79.1Confident67.8Low87 Ų87111.3 Ų111.357%0.56563%0.625SS**PPolyproline II helixtrans-62.3154.5-177.327.4-34.6000111.1S127 T128 Q129P125-S127 VanDerWaalsContact C-N 3.28Å; P125-S127 PolarHBondContact O-N 2.96Å; P125-S127 VanDerWaalsContact O-N 3.16Å; P125-T128 WeakPolarHBondContact O-CA 3.13Å; P125-T128 WeakPolarHBondContact O-CB 3.33Å; P125-T128 PolarHBondContact O-N 2.74Å; P125-Q129 PolarHBondContact O-N 2.81Å
126Q75Confident69.7Low156 Ų156105 Ų10573%0.72960%0.602SS**Hα-helixtrans-51.8-44.5-173.4-70.3179.1-58.800112.7T128 Q129 D130Q126-T128 PolarHBondContact O-N 3.24Å; Q126-Q129 CarbonylContact O-C 3.49Å; Q126-Q129 WeakPolarHBondContact O-CA 3.31Å; Q126-Q129 WeakPolarHBondContact O-CB 3.33Å; Q126-Q129 PolarHBondContact O-N 2.64Å; Q126-D130 WeakPolarHBondContact O-CB 3.47Å; Q126-D130 PolarHBondContact O-N 3.41Å
127S77.7Confident70.8Confident94 Ų94103 Ų10366%0.65759%0.59SS**Hα-helixtrans-52.8-30.4174.4175.90000114.6P125 L131P125-S127 VanDerWaalsContact C-N 3.28Å; P125-S127 PolarHBondContact O-N 2.96Å; P125-S127 VanDerWaalsContact O-N 3.16Å; S127-L131 WeakPolarHBondContact O-CB 3.39Å; S127-L131 PolarHBondContact O-N 2.81Å; S127-L131 VanDerWaalsContact O-N 3.16Å
128T73.1Confident71.6Confident56 Ų56102.7 Ų102.734%0.34458%0.579SS.*Hα-helixtrans-83.3-33.9176.1-54.50000111.4P124 P125 Q126 L131 I132P124-T128 HydrophobicContact CB-CG2 4.11Å; P125-T128 WeakPolarHBondContact O-CA 3.13Å; P125-T128 WeakPolarHBondContact O-CB 3.33Å; P125-T128 PolarHBondContact O-N 2.74Å; Q126-T128 PolarHBondContact O-N 3.24Å; T128-L131 PolarHBondContact O-N 3.26Å; T128-I132 HydrophobicContact CG2-CD1 3.96Å; T128-I132 WeakPolarHBondContact O-CB 3.38Å; T128-I132 WeakPolarHBondContact O-CD1 3.29Å; T128-I132 WeakPolarHBondContact O-CG1 3.3Å; T128-I132 PolarHBondContact O-N 3.16Å
129Q74.9Confident72.5Confident89 Ų89102 Ų10242%0.41657%0.568SS.*Hα-helixtrans-68.1-38.9171.6-64.3-171-31.500112V123 P124 P125 Q126 I132 S133V123-Q129 VanDerWaalsContact CG1-NE2 3.31Å; P124-Q129 HydrophobicContact CG-CG 4.05Å; P125-Q129 PolarHBondContact O-N 2.81Å; Q126-Q129 CarbonylContact O-C 3.49Å; Q126-Q129 WeakPolarHBondContact O-CA 3.31Å; Q126-Q129 WeakPolarHBondContact O-CB 3.33Å; Q126-Q129 PolarHBondContact O-N 2.64Å; Q129-I132 PolarHBondContact O-N 3.34Å; Q129-S133 WeakPolarHBondContact O-CB 3.44Å; Q129-S133 PolarHBondContact O-N 2.77Å; Q129-S133 PolarHBondContact O-OG 2.75Å
130D80.9Confident73.5Confident96 Ų96100.9 Ų100.951%0.51356%0.555SS.*Hα-helixtrans-66.6-38.4174.6-61-33000110.7Q126 S133 T134Q126-D130 WeakPolarHBondContact O-CB 3.47Å; Q126-D130 PolarHBondContact O-N 3.41Å; D130-S133 WeakPolarHBondContact CA-OG 3.47Å; D130-S133 PolarHBondContact O-OG 2.84Å; D130-S133 VanDerWaalsContact O-OG 3.1Å; D130-T134 VanDerWaalsContact O-CB 3.3Å; D130-T134 WeakPolarHBondContact O-CB 3.39Å; D130-T134 PolarHBondContact O-N 3.41Å; D130-T134 PolarHBondContact O-OG1 3.12Å
131L79.2Confident74.5Confident114 Ų11496.3 Ų96.360%0.59754%0.544SS*.Hα-helixtrans-66.2-46.9173.1-163.978.4000111.8S127 T128 S133 T134 V135S127-L131 WeakPolarHBondContact O-CB 3.39Å; S127-L131 PolarHBondContact O-N 2.81Å; S127-L131 VanDerWaalsContact O-N 3.16Å; T128-L131 PolarHBondContact O-N 3.26Å; L131-S133 PolarHBondContact O-N 2.79Å; L131-T134 PolarHBondContact O-N 3.17Å; L131-V135 WeakPolarHBondContact O-CB 3.2Å; L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 3.01Å
132I78.4Confident75Confident106 Ų10694.1 Ų94.154%0.54453%0.528SS..Hα-helixtrans-62.9-42.9179.2-71.8162.9000111.1T128 Q129 V135 S136T128-I132 HydrophobicContact CG2-CD1 3.96Å; T128-I132 WeakPolarHBondContact O-CB 3.38Å; T128-I132 WeakPolarHBondContact O-CD1 3.29Å; T128-I132 WeakPolarHBondContact O-CG1 3.3Å; T128-I132 PolarHBondContact O-N 3.16Å; Q129-I132 PolarHBondContact O-N 3.34Å; I132-V135 PolarHBondContact O-N 3.26Å; I132-S136 WeakPolarHBondContact O-CB 3.44Å; I132-S136 PolarHBondContact O-N 3.27Å
133S76.3Confident75.4Confident68 Ų6888.9 Ų88.948%0.47651%0.506SS..Hα-helixtrans-67.6-37.7177.158.10000112.4Q129 D130 L131 S137Q129-S133 WeakPolarHBondContact O-CB 3.44Å; Q129-S133 PolarHBondContact O-N 2.77Å; Q129-S133 PolarHBondContact O-OG 2.75Å; D130-S133 WeakPolarHBondContact CA-OG 3.47Å; D130-S133 PolarHBondContact O-OG 2.84Å; D130-S133 VanDerWaalsContact O-OG 3.1Å; L131-S133 PolarHBondContact O-N 2.79Å; S133-S137 WeakPolarHBondContact O-CB 3.46Å; S133-S137 PolarHBondContact O-N 2.98Å
134T83.7Confident75.4Confident71 Ų7187.3 Ų87.344%0.43650%0.5SS..Hα-helixtrans-63.7-45173.4-58.10000112D130 L131 S137 Q138D130-T134 VanDerWaalsContact O-CB 3.3Å; D130-T134 WeakPolarHBondContact O-CB 3.39Å; D130-T134 PolarHBondContact O-N 3.41Å; D130-T134 PolarHBondContact O-OG1 3.12Å; L131-T134 PolarHBondContact O-N 3.17Å; T134-S137 PolarHBondContact O-N 2.91Å; T134-Q138 WeakPolarHBondContact O-CG 3.2Å; T134-Q138 PolarHBondContact O-N 2.75Å; T134-Q138 VanDerWaalsContact O-N 3.07Å
135V77.8Confident75.5Confident72 Ų7289.4 Ų89.444%0.43650%0.504SS..Hα-helixtrans-68.6-39.6178.9171.20000111.5L131 I132 Q138 L139L131-V135 WeakPolarHBondContact O-CB 3.2Å; L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 3.01Å; I132-V135 PolarHBondContact O-N 3.26Å; V135-Q138 PolarHBondContact O-N 3.26Å; V135-L139 HydrophobicContact CG1-CD1 4.06Å; V135-L139 WeakPolarHBondContact O-CG 3.26Å; V135-L139 PolarHBondContact O-N 2.61Å
136S78.9Confident74.5Confident58 Ų5890.7 Ų90.741%0.40651%0.506SS..Hα-helixtrans-60.1-46.3172.4-165.60000111I132 Q138 L139 D140I132-S136 WeakPolarHBondContact O-CB 3.44Å; I132-S136 PolarHBondContact O-N 3.27Å; S136-Q138 VanDerWaalsContact C-N 3.3Å; S136-Q138 PolarHBondContact O-N 3.18Å; S136-L139 PolarHBondContact O-N 3.19Å; S136-L139 VanDerWaalsContact O-N 3.14Å; S136-D140 PolarHBondContact O-N 3.16Å; S136-D140 VanDerWaalsContact O-OD2 3.14Å
137S79.5Confident73.6Confident61 Ų6189.1 Ų89.143%0.42750%0.502SS..Hα-helixtrans-60.1-38.9178.3-165.10000112.5S133 T134 D140 E141S133-S137 WeakPolarHBondContact O-CB 3.46Å; S133-S137 PolarHBondContact O-N 2.98Å; T134-S137 PolarHBondContact O-N 2.91Å; S137-D140 PolarHBondContact O-N 2.82Å; S137-E141 WeakPolarHBondContact O-CB 3.43Å; S137-E141 WeakPolarHBondContact O-CG 3.33Å; S137-E141 PolarHBondContact O-N 3.11Å
138Q77.3Confident72.2Confident110 Ų11087.9 Ų87.951%0.51450%0.504SS..Hα-helixtrans-72.2-33176.7-70.6176.318.900112.6T134 V135 S136 T142T134-Q138 WeakPolarHBondContact O-CG 3.2Å; T134-Q138 PolarHBondContact O-N 2.75Å; T134-Q138 VanDerWaalsContact O-N 3.07Å; V135-Q138 PolarHBondContact O-N 3.26Å; S136-Q138 VanDerWaalsContact C-N 3.3Å; S136-Q138 PolarHBondContact O-N 3.18Å; Q138-T142 WeakPolarHBondContact O-CB 3.5Å; Q138-T142 WeakPolarHBondContact O-CG2 3.33Å; Q138-T142 PolarHBondContact O-N 2.91Å; Q138-T142 PolarHBondContact O-OG1 2.82Å
139L76.6Confident71.1Confident109 Ų10992.6 Ų92.657%0.57152%0.515SS*.Hα-helixtrans-68.7-40.5171.7-77.7167.1000111.8V135 S136 T142 S143V135-L139 HydrophobicContact CG1-CD1 4.06Å; V135-L139 WeakPolarHBondContact O-CG 3.26Å; V135-L139 PolarHBondContact O-N 2.61Å; S136-L139 PolarHBondContact O-N 3.19Å; S136-L139 VanDerWaalsContact O-N 3.14Å; L139-T142 PolarHBondContact O-OG1 2.98Å; L139-S143 WeakPolarHBondContact O-CB 3.34Å; L139-S143 PolarHBondContact O-N 2.97Å
140D72.2Confident69.7Low96 Ų9693.7 Ų93.751%0.51352%0.523SS..Hα-helixtrans-66.9-40.9175.5-72.9-48.8000111.6S136 S137 S144S136-D140 PolarHBondContact O-N 3.16Å; S136-D140 VanDerWaalsContact O-OD2 3.14Å; S137-D140 PolarHBondContact O-N 2.82Å; D140-S144 VanDerWaalsContact O-CB 3.28Å; D140-S144 WeakPolarHBondContact O-CB 3.37Å; D140-S144 PolarHBondContact O-N 2.89Å; D140-S144 PolarHBondContact O-OG 2.98Å
141E75.6Confident67.7Low127 Ų12793.2 Ų93.259%0.59353%0.525SS*.Hα-helixtrans-63.1-48.2174-78.2178.5165.300112.1S137 S144 E145S137-E141 WeakPolarHBondContact O-CB 3.43Å; S137-E141 WeakPolarHBondContact O-CG 3.33Å; S137-E141 PolarHBondContact O-N 3.11Å; E141-S144 WeakPolarHBondContact O-CB 3.37Å; E141-S144 PolarHBondContact O-N 2.92Å; E141-E145 PolarHBondContact O-N 3.11Å
142T69.1Low65.9Low71 Ų7193 Ų9344%0.43654%0.539SS..Hα-helixtrans-71.7-35.8-18049.90000113.1Q138 L139 S144 E145 L146Q138-T142 WeakPolarHBondContact O-CB 3.5Å; Q138-T142 WeakPolarHBondContact O-CG2 3.33Å; Q138-T142 PolarHBondContact O-N 2.91Å; Q138-T142 PolarHBondContact O-OG1 2.82Å; L139-T142 PolarHBondContact O-OG1 2.98Å; T142-S144 VanDerWaalsContact C-N 3.33Å; T142-E145 PolarHBondContact O-N 2.96Å; T142-L146 WeakPolarHBondContact O-CB 3.29Å; T142-L146 WeakPolarHBondContact O-CG 3.22Å; T142-L146 PolarHBondContact O-N 2.81Å
143S64.9Low63.6Low57 Ų5793.6 Ų93.640%0.39955%0.548SS..Hα-helixtrans-59.6-44169.9-179.30000111.1L139 L146 L147L139-S143 WeakPolarHBondContact O-CB 3.34Å; L139-S143 PolarHBondContact O-N 2.97Å; S143-L146 PolarHBondContact O-N 3.1Å; S143-L147 WeakPolarHBondContact O-CB 3.33Å; S143-L147 VanDerWaalsContact O-CG 3.29Å; S143-L147 WeakPolarHBondContact O-CG 3.27Å; S143-L147 PolarHBondContact O-N 3.42Å
144S65.4Low61.9Low78 Ų78101.1 Ų101.155%0.54557%0.566SS.*Hα-helixtrans-64-42.3176-59.70000112.5D140 E141 T142 G148D140-S144 VanDerWaalsContact O-CB 3.28Å; D140-S144 WeakPolarHBondContact O-CB 3.37Å; D140-S144 PolarHBondContact O-N 2.89Å; D140-S144 PolarHBondContact O-OG 2.98Å; E141-S144 WeakPolarHBondContact O-CB 3.37Å; E141-S144 PolarHBondContact O-N 2.92Å; T142-S144 VanDerWaalsContact C-N 3.33Å; S144-G148 PolarHBondContact O-N 3.11Å
145E69Low59.7Low102 Ų102102.7 Ų102.748%0.47758%0.58SS.*Hα-helixtrans-66.1-37.9175.6-112.4-152.7150.700112.8E141 T142 G148 R149E141-E145 PolarHBondContact O-N 3.11Å; T142-E145 PolarHBondContact O-N 2.96Å; E145-G148 PolarHBondContact O-N 3.05Å; E145-R149 WeakPolarHBondContact O-CG 3.32Å; E145-R149 PolarHBondContact O-N 2.9Å; E145-R149 VanDerWaalsContact O-N 3.12Å; E145-R149 IonicContact OE1-CZ 2.81Å; E145-R149 VanDerWaalsContact OE1-CZ 3.25Å; E145-R149 IonicContact OE1-NH1 3Å; E145-R149 PolarHBondContact OE1-NH1 2.77Å; E145-R149 IonicContact OE1-NH2 3.85Å; E145-R149 PolarHBondContact OE1-NH2 3.24Å; E145-R149 IonicContact OE2-CZ 3.71Å; E145-R149 IonicContact OE2-NH1 3.59Å; E145-R149 PolarHBondContact OE2-NH1 3.33Å; E145-R149 IonicContact OE2-NH2 1.79Å
146L59.9Low57.7Low113 Ų113103.2 Ų103.259%0.59259%0.585SS**Hα-helixtrans-69.2-46.6176.9-77.1166.6000111.4T142 S143 G148 R149 I150T142-L146 WeakPolarHBondContact O-CB 3.29Å; T142-L146 WeakPolarHBondContact O-CG 3.22Å; T142-L146 PolarHBondContact O-N 2.81Å; S143-L146 PolarHBondContact O-N 3.1Å; L146-G148 PolarHBondContact O-N 2.76Å; L146-R149 PolarHBondContact O-N 3.43Å; L146-I150 WeakPolarHBondContact O-CG1 3.28Å; L146-I150 PolarHBondContact O-N 2.9Å
147L54.8Low55.7Low124 Ų124104.8 Ų104.865%0.64960%0.596SS**Hα-helixtrans-59.6-32.4173.5-73.1167.4000112.1S143S143-L147 WeakPolarHBondContact O-CB 3.33Å; S143-L147 VanDerWaalsContact O-CG 3.29Å; S143-L147 WeakPolarHBondContact O-CG 3.27Å; S143-L147 PolarHBondContact O-N 3.42Å
148G49.4Very low53.6Low68 Ų68104.3 Ų104.370%0.70159%0.591SS**THydrogen-bonded Turntrans-76.7-13.1172.500000115.5S144 E145 L146S144-G148 PolarHBondContact O-N 3.11Å; E145-G148 PolarHBondContact O-N 3.05Å; L146-G148 PolarHBondContact O-N 2.76Å
149R49.4Very low51.9Low155 Ų155103 Ų10359%0.58559%0.591SS**THydrogen-bonded Turntrans-108.7-14.9178.8-75.8-167.7-176.6105.411.2114.8E145 L146 P151E145-R149 WeakPolarHBondContact O-CG 3.32Å; E145-R149 PolarHBondContact O-N 2.9Å; E145-R149 VanDerWaalsContact O-N 3.12Å; E145-R149 IonicContact OE1-CZ 2.81Å; E145-R149 VanDerWaalsContact OE1-CZ 3.25Å; E145-R149 IonicContact OE1-NH1 3Å; E145-R149 PolarHBondContact OE1-NH1 2.77Å; E145-R149 IonicContact OE1-NH2 3.85Å; E145-R149 PolarHBondContact OE1-NH2 3.24Å; E145-R149 IonicContact OE2-CZ 3.71Å; E145-R149 IonicContact OE2-NH1 3.59Å; E145-R149 PolarHBondContact OE2-NH1 3.33Å; E145-R149 IonicContact OE2-NH2 1.79Å; L146-R149 PolarHBondContact O-N 3.43Å; R149-P151 VanDerWaalsContact O-CD 3.3Å; R149-P151 WeakPolarHBondContact O-CD 3.2Å
150I44.9Very low50.2Low112 Ų11297.9 Ų97.957%0.57456%0.564SS**SBendtrans-65.2116.2170.9-70.3162.5000108.2L146L146-I150 WeakPolarHBondContact O-CG1 3.28Å; L146-I150 PolarHBondContact O-N 2.9Å
151P39.6Very low48.7Very low86 Ų8696.1 Ų96.156%0.55855%0.553SS**  trans-64.1152.3172.529.5-34.7000109.4R149 T153R149-P151 VanDerWaalsContact O-CD 3.3Å; R149-P151 WeakPolarHBondContact O-CD 3.2Å; P151-T153 HydrophobicContact CB-CG2 4.35Å; P151-T153 HydrophobicContact CG-CG2 4.22Å; P151-T153 PolarHBondContact O-N 3.37Å; P151-T153 PolarHBondContact O-OG1 2.72Å
152A40.8Very low47.1Very low108 Ų10898.1 Ų98.189%0.89356%0.556SS**  trans-73.754.5-175.100000113.8R154A152-R154 PolarHBondContact O-N 2.86Å
153T31.6Very low45.9Very low119 Ų11998.2 Ų98.273%0.7355%0.553SS**  trans-91.871.7179.355.80000110.4P151P151-T153 HydrophobicContact CB-CG2 4.35Å; P151-T153 HydrophobicContact CG-CG2 4.22Å; P151-T153 PolarHBondContact O-N 3.37Å; P151-T153 PolarHBondContact O-OG1 2.72Å
154R40.2Very low44.8Very low227 Ų227101.1 Ų101.186%0.85756%0.564SS**SBendtrans-136.9144.9169.1-102.4-177.9170.9-119.5-2.5109.2A152 P156A152-R154 PolarHBondContact O-N 2.86Å; R154-P156 VanDerWaalsContact O-N 3.08Å
155S36.4Very low43.4Very low103 Ų103104 Ų10472%0.7257%0.568SS**  trans-44.5117.2167.353.30000109.3S157S155-S157 PolarHBondContact O-N 3.11Å
156P36.6Very low41.5Very low84 Ų84102.2 Ų102.255%0.54557%0.567SS.*PPolyproline II helixtrans-60.8128.1-167.316.7-28.4000110.3R154 R1207R154-P156 VanDerWaalsContact O-N 3.08Å; P156-R1207 PolarHBondContact O-NH1 2.98Å; P156-R1207 PolarHBondContact O-NH2 2.62Å
157S36.5Very low40.1Very low91 Ų91102.7 Ų102.764%0.63658%0.577SS**PPolyproline II helixtrans-60.4157.9-177-57.90000112.4S155 V159 R1207S155-S157 PolarHBondContact O-N 3.11Å; S157-V159 PolarHBondContact O-N 3.15Å; S157-R1207 PolarHBondContact O-NH2 2.65Å
158P35.2Very low38.8Very low51 Ų51101.1 Ų101.133%0.33158%0.576SS.*PPolyproline II helixtrans-58.4117.1170-23.635.2000110.6S160 Y1205 R1207P158-S160 PolarHBondContact O-N 3.14Å; P158-Y1205 HydrophobicContact CB-CD1 3.31Å; P158-Y1205 HydrophobicContact CB-CE1 3.81Å; P158-Y1205 HydrophobicContact CB-CG 3.92Å; P158-Y1205 WeakPolarHBondContact O-CE1 3.46Å; P158-R1207 VanDerWaalsContact CA-NH2 3.32Å; P158-R1207 VanDerWaalsContact N-NH2 3.17Å
159V42Very low37.9Very low82 Ų82104.2 Ų104.250%0.49758%0.584SS.*PPolyproline II helixtrans-77.8121.6177.9-179.80000108.3S157 D163 L164 Y1205S157-V159 PolarHBondContact O-N 3.15Å; V159-D163 HydrophobicContact CG1-CB 4.43Å; V159-L164 HydrophobicContact CG1-CD2 4.29Å; V159-L164 HydrophobicContact CG1-CG 4.16Å; V159-Y1205 VanDerWaalsContact O-CD1 3.31Å; V159-Y1205 WeakPolarHBondContact O-CD1 3.05Å
160S39.6Very low37.3Very low2 Ų2102.2 Ų102.21%0.01459%0.589CS.*PPolyproline II helixtrans-72.8146.1-179-168.60000111P158 R162 D163 L164P158-S160 PolarHBondContact O-N 3.14Å; S160-R162 PolarHBondContact O-N 2.74Å; S160-D163 WeakPolarHBondContact CB-OD2 3.32Å; S160-D163 PolarHBondContact N-OD2 2.71Å; S160-D163 PolarHBondContact O-N 2.93Å; S160-L164 PolarHBondContact O-N 2.87Å
161M41.5Very low36.7Very low59 Ų59102.1 Ų102.129%0.29160%0.596SS.*THydrogen-bonded Turntrans-52.1-26169.3-75.2-95.7-76.700113.3H165 P970 K1204M161-H165 PolarHBondContact O-ND1 2.96Å; M161-P970 HydrophobicContact CE-CG 4.08Å; M161-P970 WeakPolarHBondContact SD-CD 3.49Å; M161-P970 HydrophobicContact SD-CG 3.65Å; M161-K1204 WeakPolarHBondContact CG-O 3.41Å
162R41.2Very low36.2Very low169 Ų169106.2 Ų106.264%0.63861%0.613SS**THydrogen-bonded Turntrans-73.4-35.5175.5-73.6172.5164.3144.7-4.4112.5S160 H165 S166 E1203S160-R162 PolarHBondContact O-N 2.74Å; R162-H165 PolarHBondContact O-N 3.2Å; R162-S166 PolarHBondContact O-N 3.01Å; R162-E1203 IonicContact CZ-OE1 2.75Å; R162-E1203 IonicContact NE-OE1 2.65Å; R162-E1203 IonicContact NH1-OE1 2.77Å; R162-E1203 PolarHBondContact NH1-OE1 3.32Å
163D45Very low36Very low72 Ų72106 Ų10639%0.38561%0.605SS.*G310 helixtrans-77.5-31.7-175.1-51.7-39.3000111.5V159 S160 H165 S166V159-D163 HydrophobicContact CG1-CB 4.43Å; S160-D163 WeakPolarHBondContact CB-OD2 3.32Å; S160-D163 PolarHBondContact N-OD2 2.71Å; S160-D163 PolarHBondContact O-N 2.93Å; D163-H165 PolarHBondContact O-N 3.23Å; D163-H165 VanDerWaalsContact O-N 3.08Å; D163-S166 PolarHBondContact O-N 3.32Å; D163-S166 PolarHBondContact O-OG 3.17Å
164L41.6Very low36.1Very low118 Ų118104.1 Ų104.162%0.61861%0.609SS**G310 helixtrans-58.6-16169-71.7173000114.2V159 S160V159-L164 HydrophobicContact CG1-CD2 4.29Å; V159-L164 HydrophobicContact CG1-CG 4.16Å; S160-L164 PolarHBondContact O-N 2.87Å
165H35.9Very low35.6Very low139 Ų139101.9 Ų101.964%0.64461%0.613SS**G310 helixtrans-109.7-1.7177.8-64.594.1000113.3M161 R162 D163M161-H165 PolarHBondContact O-ND1 2.96Å; R162-H165 PolarHBondContact O-N 3.2Å; D163-H165 PolarHBondContact O-N 3.23Å; D163-H165 VanDerWaalsContact O-N 3.08Å
166S29.5Very low35.4Very low64 Ų64101 Ų10145%0.44861%0.612SS.*SBendtrans-85.1129.616868.10000109.5R162 D163 S168R162-S166 PolarHBondContact O-N 3.01Å; D163-S166 PolarHBondContact O-N 3.32Å; D163-S166 PolarHBondContact O-OG 3.17Å; S166-S168 PolarHBondContact O-N 2.79Å
167P29.3Very low35.6Very low123 Ų123103.9 Ų103.980%0.79962%0.623SS**PPolyproline II helixtrans-65.7123.1169.927.6-32.2000108.4
168S29Very low35.6Very low91 Ų91106.1 Ų106.164%0.63663%0.627SS**PPolyproline II helixtrans-51.1139.4174.4-51.50000110.4S166 T170S166-S168 PolarHBondContact O-N 2.79Å; S168-T170 PolarHBondContact O-N 3.2Å
169P30.2Very low35.4Very low134 Ų134111.9 Ų111.987%0.8765%0.654SS**  trans-71.281.5173.830.4-34.5000109.7
170T37.3Very low34.9Very low113 Ų113114.2 Ų114.269%0.69366%0.664SS**  trans-59130.6169.541.70000109.3S168 D172S168-T170 PolarHBondContact O-N 3.2Å; T170-D172 PolarHBondContact O-N 2.93Å
171P32.7Very low34.8Very low109 Ų109120.6 Ų120.671%0.70870%0.702SS**  trans-64.9120.317327-33.1000109.5S173P171-S173 PolarHBondContact O-N 3.01Å; P171-S173 PolarHBondContact O-OG 2.78Å
172D28Very low34.2Very low173 Ų173122.9 Ų122.993%0.92572%0.724SS**  trans-54.7107.2-177.7-95.1-44.6000111.2T170T170-D172 PolarHBondContact O-N 2.93Å
173S37.1Very low33.9Very low104 Ų104121.1 Ų121.173%0.72773%0.731SS**  trans-127.191.6-174-60.70000110.9P171P171-S173 PolarHBondContact O-N 3.01Å; P171-S173 PolarHBondContact O-OG 2.78Å
174G34.4Very low33.2Very low78 Ų78125 Ų12580%0.80475%0.752SS**  trans56.280.1153.700000118.6A176G174-A176 PolarHBondContact O-N 2.88Å
175L29.5Very low32.8Very low181 Ų181125.6 Ų125.695%0.94877%0.767SS**  trans-79.577.1167.3-161.9172.3000111.2
176A31.9Very low32.6Very low83 Ų83122.4 Ų122.469%0.68677%0.771SS**  trans-168.39316500000113.9G174G174-A176 PolarHBondContact O-N 2.88Å
177D39.7Very low32.7Very low145 Ų145124.6 Ų124.678%0.77579%0.787SS**  -176.1127.2117-106.13.9000113.4
178L36.4Very low32.8Very low139 Ų139124.1 Ų124.173%0.72879%0.786SS**  trans29.8111133.1-75.8143.8000118.1
179L31.5Very low33.1Very low171 Ų171123.8 Ų123.890%0.89579%0.789SS**  cis5256.949.1-59.4178.5000115.5
180D31.8Very low33.1Very low132 Ų132125.9 Ų125.971%0.70679%0.786SS**  trans-154.295.8145.2-154.3-2.6000114.7
181V36.5Very low32.9Very low136 Ų136125 Ų12582%0.82478%0.781SS**  trans-144.788.6144.2-175.70000107.3V183V181-V183 HydrophobicContact CG1-CG2 4.1Å
182S30.1Very low32.9Very low106 Ų106128.7 Ų128.774%0.74179%0.789SS**  trans-79.9141.9165.747.40000110.5
183V33.6Very low33.3Very low132 Ų132123.7 Ų123.780%0.878%0.778SS**  trans-133.6130.6172.8-171.20000108.7V181V181-V183 HydrophobicContact CG1-CG2 4.1Å
184D30.3Very low33.2Very low153 Ų153125.8 Ų125.882%0.81878%0.78SS**  trans-66146-167.3-77.1-67.7000115.8
185S34.7Very low33.4Very low132 Ų132130.3 Ų130.392%0.92378%0.78SS**  trans-158.676.1151.8-78.70000109.3
186G30.2Very low33.8Very low72 Ų72125.3 Ų125.374%0.74277%0.765SS**  trans-94.4169.3-176.900000114.6
187S31.6Very low34Very low110 Ų110127.9 Ų127.977%0.76977%0.767SS**  trans-167.7129.2152.9-174.30000112.2
188S33Very low33.8Very low113 Ų113127.4 Ų127.479%0.7976%0.763SS**  trans61.8142158.669.60000118.8
189A33.7Very low33.8Very low83 Ų83127.9 Ų127.969%0.68677%0.765SS**  cis-165.8164.7-8.300000110.7
190H31Very low33.9Very low178 Ų178124.5 Ų124.582%0.82476%0.756SS**  trans67.5140.7154.6-9251.1000117.8
191T33.8Very low34Very low94 Ų94121.4 Ų121.458%0.57776%0.755SS**  cis-160.2145-3.1-11.10000111.7
192Q32.4Very low33.8Very low188 Ų188121.4 Ų121.488%0.87976%0.755SS**  trans54.6133.4147.7-75.9163.6500123.3
193G35.2Very low33.9Very low67 Ų67121.2 Ų121.269%0.69176%0.76SS**  trans138.196.4161.300000113
194I35.7Very low33.8Very low149 Ų149119 Ų11976%0.76476%0.763SS**  69.9117.863.4-59.4174000110.5
195E38.2Very low33.9Very low173 Ų173115 Ų11581%0.80876%0.759SS**  cis-162.2167.48.9-133.8163-147.800112.8
196A37.8Very low33.8Very low76 Ų76115.4 Ų115.463%0.62876%0.756SS**  trans64.3146.2144.400000122.5
197D37.3Very low33.8Very low136 Ų136122 Ų12273%0.72776%0.758SS**  cis-171.8159-12.7-108.3-19.4000115.2
198L35.2Very low33.9Very low135 Ų135123 Ų12371%0.70775%0.754SS**  trans59.3147.2149-8053000120.4
199I36.7Very low33.8Very low149 Ų149124.4 Ų124.476%0.76475%0.753SS**  cis-158.2156.5-6.8-109.4161.3000112.4
200S32.6Very low33.9Very low101 Ų101126.7 Ų126.771%0.70675%0.754SS**  trans-42.5167.9164.9-160.90000118.6
201G35.2Very low34.6Very low67 Ų67123.1 Ų123.169%0.69175%0.746SS**  cis138.4170.9-7.700000116.1
202V32.3Very low34.5Very low136 Ų136127.9 Ų127.982%0.82476%0.759SS**  trans82.5121.7149.5-176.50000123.2
203A32Very low34.5Very low101 Ų101123.4 Ų123.484%0.83576%0.755SS**  trans76.2122.5145.800000125.5
204G31.4Very low34.5Very low85 Ų85126.6 Ų126.688%0.87676%0.76SS**  131112.494.300000121.8
205G32Very low34.6Very low71 Ų71124.7 Ų124.773%0.73276%0.757SS**  trans121.8106134.200000122.5
206V32.9Very low34.4Very low140 Ų140122.7 Ų122.785%0.84876%0.757SS**  trans28.4150.5135.8-88.80000122.7
207R30.8Very low34.2Very low210 Ų210123.5 Ų123.579%0.79276%0.764SS**  cis-170.8146.130.7-133.5-179.2-174.1-152.80.1113.1
208L33.1Very low34.1Very low131 Ų131123.7 Ų123.769%0.68677%0.77SS**  trans48.3159.7143.8-64.5168.6000121.6
209D30.1Very low34.4Very low142 Ų142122.1 Ų122.176%0.75977%0.768SS**  cis-156.9-172.27.5-132.7-41.2000113.9
210N37.4Very low34.3Very low132 Ų132121.1 Ų121.171%0.70676%0.764SS**  trans-129.4-159.4-172.3-141.40.9000112.7
211P45.7Very low34.4Very low103 Ų103120.1 Ų120.167%0.66975%0.75SS**  cis-140.5165.5-13.641.7-21.5000120.1
212F31.5Very low34.6Very low193 Ų193124.7 Ų124.785%0.84675%0.753SS**  trans39.5134144.5-83-98.3000126.7
213A31.6Very low34.6Very low95 Ų95122.4 Ų122.479%0.78575%0.749SS**  trans-170.7168.7140.800000113.8
214V35.6Very low34.9Very low133 Ų133122 Ų12281%0.80675%0.746SS**  trans-163.6-178.2-167.8-1100000111.1
215P38Very low35.3Very low109 Ų109124.6 Ų124.671%0.70874%0.744SS**  cis-142-167.70.238.3-14.7000117.9
216T33.1Very low35.8Very low131 Ų131126.7 Ų126.780%0.80475%0.745SS**  trans75.1117.2147-43.40000124.9
217A34.9Very low36.1Very low94 Ų94128.2 Ų128.278%0.77775%0.747SS**  trans-179.6166.1138.600000113.7
218V34.3Very low36.4Very low139 Ų139124.1 Ų124.184%0.84275%0.748SS**  trans-158.1178-174-116.70000111.1
219P41.7Very low36.5Very low103 Ų103122.7 Ų122.767%0.66976%0.755SS**  cis-139.3-159.2-16.838.9-16.8000115.7
220N34.1Very low37Very low128 Ų128122.5 Ų122.568%0.68476%0.759SS**  trans82.6152.6154.4-77.927.9000123.2
221I35.8Very low37Very low79 Ų79122 Ų12241%0.40576%0.762SS.*  cis-173.5168.5-36.5-125.7157.3000112.4A584I221-A584 HydrophobicContact CB-CB 4.47Å; I221-A584 HydrophobicContact CD1-CB 3.66Å; I221-A584 HydrophobicContact CG1-CB 3.85Å; I221-A584 HydrophobicContact CG2-CB 3.79Å
222Q37.7Very low36.7Very low164 Ų164124.4 Ų124.477%0.76677%0.768SS**  trans86.9150.7173.8-53.9-169.3-6.600119
223A33.9Very low37Very low88 Ų88124.1 Ų124.173%0.72777%0.767SS**  cis-173.4166.9-2900000112.9
224A37.1Very low37.3Very low93 Ų93128.5 Ų128.577%0.76977%0.771SS**  trans100.3107.3149.500000124.7
225V39.3Very low37.5Very low138 Ų138127.6 Ų127.684%0.83677%0.768SS**  trans71.6128.6135.5-172.70000122.8
226P42.8Very low37.4Very low116 Ų116128.6 Ų128.675%0.75378%0.775SS**  trans-118178.4177.544-34.8000116.6
227L40.6Very low37.9Very low172 Ų172131.6 Ų131.690%0.90177%0.771SS**  trans-145.3164.3166.1-87.4179.7000112
228P37.4Very low38.2Very low124 Ų124132.2 Ų132.281%0.80577%0.767SS**  trans-99.6178.7-152.139.3-39.3000117.7
229A34.5Very low38.7Very low100 Ų100131.2 Ų131.283%0.82676%0.763SS**  trans-123.6170.6-173.700000114.7
230T40.2Very low39.3Very low139 Ų139131.9 Ų131.985%0.85377%0.768SS**  trans-125.7153.7-179.752.30000113
231P38.3Very low40Very low120 Ų120131.9 Ų131.978%0.77978%0.775SS**  trans-102.5151-162.538.1-36.3000116.8
232I38.9Very low40.5Very low155 Ų155139.2 Ų139.280%0.79580%0.798SS**  trans-178140.8163.6-104.9151.4000107.6
233K36.8Very low41.1Very low186 Ų186137.1 Ų137.181%0.80980%0.798SS**  cis-157.5170.8-14.6-112.5174.3-177.4177.30108.5
234Q37.5Very low42.2Very low187 Ų187137.3 Ų137.387%0.87480%0.799SS**  trans-107.9154.4177.2-79.1-177.4-18.100114.6
235P40.1Very low42.8Very low115 Ų115138.3 Ų138.375%0.74780%0.798SS**PPolyproline II helixtrans-84.7167.6170.936-35.5000113.4
236P36.7Very low43.4Very low130 Ų130137.6 Ų137.684%0.84480%0.796SS**PPolyproline II helixtrans-82.3157-17032.7-36.7000115.8
237R42.5Very low43.7Very low194 Ų194143.2 Ų143.273%0.73280%0.802SS**PPolyproline II helixtrans-89.4143.8-179.6-168.2-177-73-146.56.7111.9
238P41.8Very low43.8Very low107 Ų107140.5 Ų140.570%0.69580%0.795SS**PPolyproline II helixtrans-72.6163.7177.229.5-36.5000114.2
239P44.4Very low44.4Very low117 Ų117138.8 Ų138.876%0.7679%0.792SS**PPolyproline II helixtrans-80.4160.8-177.633.8-36.9000114
240P55.1Low45.2Very low118 Ų118139.5 Ų139.577%0.76679%0.788SS**PPolyproline II helixtrans-72.1157.9-178.530.1-36.5000113.9
241P47.8Very low45.4Very low128 Ų128138.7 Ų138.783%0.83179%0.785SS**PPolyproline II helixtrans-68.4155.9179.628.9-35.3000113.2
242R48Very low45.2Very low233 Ų233136.8 Ų136.888%0.87979%0.787SS**PPolyproline II helixtrans-85.5144.4-179-175.2179.2-66-120.3-1110.8
243P49.3Very low45.3Very low120 Ų120138.5 Ų138.578%0.77979%0.792SS**PPolyproline II helixtrans-56.4142175.4-25.934.8000113
244A57.1Low45.4Very low91 Ų91134.2 Ų134.275%0.75279%0.791SS**PPolyproline II helixtrans-67146.7176.300000111.8
245P50Low45.5Very low114 Ų114129.2 Ų129.274%0.7478%0.782SS**PPolyproline II helixtrans-68.5153.9174.530.2-35.2000111.4R247P245-R247 PolarHBondContact O-N 2.92Å
246P51.7Low45.6Very low124 Ų124129.8 Ų129.881%0.80579%0.785SS**PPolyproline II helixtrans-63132.2179.526.4-34.3000111.3
247R48.9Very low45.6Very low233 Ų233132.5 Ų132.588%0.87979%0.787SS**PPolyproline II helixtrans-60.8135.7174.7179.5178.7-80.4-126.11.5109.6P245P245-R247 PolarHBondContact O-N 2.92Å
248P43Very low45.4Very low115 Ų115134.4 Ų134.475%0.74779%0.794SS**PPolyproline II helixtrans-57.5140174.4-24.434.2000111.8
249A49.9Very low45.6Very low89 Ų89134.4 Ų134.474%0.73679%0.794SS**PPolyproline II helixtrans-63.8142.4173.800000110.6
250P51.3Low45.8Very low115 Ų115134.2 Ų134.275%0.74779%0.793SS**PPolyproline II helixtrans-63.2148.2172.728.4-34.5000110.2G252P250-G252 PolarHBondContact O-N 3.43Å
251P45.3Very low45.6Very low122 Ų122134 Ų13479%0.79279%0.791SS**PPolyproline II helixtrans-61.7124.3175.726.7-33.7000109.5Q253P251-Q253 PolarHBondContact O-N 2.72Å
252G34.1Very low45.8Very low80 Ų80134.1 Ų134.183%0.82579%0.792SS**  trans-64103.6-175.500000111.9P250 A254P250-G252 PolarHBondContact O-N 3.43Å; G252-A254 PolarHBondContact O-N 3.5Å
253Q41Very low45.2Very low190 Ų190131.3 Ų131.389%0.88879%0.794SS**PPolyproline II helixtrans-65.7119164.9-72.1-175.8-16.200108.2P251 A255P251-Q253 PolarHBondContact O-N 2.72Å; Q253-A255 PolarHBondContact O-N 2.87Å
254A38.9Very low44.7Very low97 Ų97130.2 Ų130.280%0.80280%0.795SS**PPolyproline II helixtrans-64.4119.9177.200000109.3G252G252-A254 PolarHBondContact O-N 3.5Å
255A38.9Very low43.9Very low82 Ų82130.9 Ų130.968%0.67880%0.801SS**PPolyproline II helixtrans-61.2136.1170.500000109.3Q253 Q257Q253-A255 PolarHBondContact O-N 2.87Å; A255-Q257 PolarHBondContact O-N 2.81Å
256P42.1Very low43.2Very low126 Ų126131.6 Ų131.682%0.81880%0.802SS**PPolyproline II helixtrans-60.7125.7174.925.8-33.3000108.9R258P256-R258 PolarHBondContact O-N 2.79Å; P256-R258 VanDerWaalsContact O-N 3.09Å
257Q37.1Very low42.8Very low188 Ų188133.1 Ų133.188%0.87980%0.804SS**  trans-65.1113.8-178.2-70.3-177.2-16.200109.4A255A255-Q257 PolarHBondContact O-N 2.81Å
258R38Very low42.5Very low233 Ų233127.1 Ų127.188%0.87980%0.795SS**PPolyproline II helixtrans-57.9126.4169.1175.4-178.9-79.4-158.7-3.6107.8P256P256-R258 PolarHBondContact O-N 2.79Å; P256-R258 VanDerWaalsContact O-N 3.09Å
259P46.9Very low42.8Very low108 Ų108127.3 Ų127.370%0.70180%0.796SS**PPolyproline II helixtrans-63.3143.7-179.825.6-34.3000110.8
260P48.5Very low42.3Very low113 Ų113129 Ų12973%0.73480%0.8SS**PPolyproline II helixtrans-68.9152.9174.530.4-34.9000110.8
261P50.7Low41.8Very low112 Ų112128.5 Ų128.573%0.72781%0.805SS**PPolyproline II helixtrans-63.7149.317129.1-34.8000110.7L263P261-L263 PolarHBondContact O-N 3.16Å
262P50.3Low41.5Very low131 Ų131126.7 Ų126.785%0.85180%0.801SS**PPolyproline II helixtrans-65.9129.4-178.126.8-34.1000111.4
263L36.9Very low41.8Very low175 Ų175128.2 Ų128.292%0.91680%0.796SS**PPolyproline II helixtrans-71.5136.5173.5-77.6164.4000110.7P261P261-L263 PolarHBondContact O-N 3.16Å
264A38.6Very low41.6Very low97 Ų97127.8 Ų127.880%0.80279%0.794SS**PPolyproline II helixtrans-67.3145-178.400000112.7
265A39.9Very low41.7Very low105 Ų105127.3 Ų127.387%0.86879%0.79SS**PPolyproline II helixtrans-77.6140.9175.800000112
266V35.2Very low41.7Very low128 Ų128130.4 Ų130.478%0.77680%0.795SS**PPolyproline II helixtrans-76.5143.6-173.71740000112.5
267N43.1Very low41.7Very low157 Ų157130.7 Ų130.784%0.8479%0.79SS**  trans-153.2161.4144.9-99.1-37.8000111.3
268P42.2Very low41.8Very low107 Ų107128.6 Ų128.670%0.69578%0.784SS**  trans-103.6164.9-139.638.2-38.8000117.6
269P49.1Very low41.6Very low119 Ų119124.8 Ų124.877%0.77378%0.78SS**  trans-98.4178.7-178.840.8-37.9000114.1
270P41.3Very low41.4Very low125 Ų125126.5 Ų126.581%0.81278%0.783SS**  trans-138.6156.414238-25000116.5
271A39.9Very low41Very low104 Ų104127.2 Ų127.286%0.8678%0.779SS**  trans77.3106.1155.700000121.3
272A38.2Very low40.3Very low84 Ų84131.5 Ų131.569%0.69479%0.786SS**  trans-81.8-158.7158.600000110.3
273P42.1Very low39.5Very low111 Ų111128.7 Ų128.772%0.72178%0.781SS**  cis-116.5156.22.28.119.4000114.2
274E36Very low39.3Very low181 Ų181126.8 Ų126.885%0.84678%0.777SS**  96154.555.1-69.9-179.5149.600114.9
275A40Very low39.1Very low87 Ų87129 Ų12972%0.71978%0.78SS**  trans76.6140.2168.700000120.4
276D40.6Very low38.9Very low147 Ų147128.3 Ų128.379%0.78678%0.775SS**  cis-165.7169.4-23.8-106.7-34.1000112.2
277D41Very low38.9Very low132 Ų132128.5 Ų128.571%0.70678%0.781SS**  trans53.7109.5153.9-77.2-29.1000124.1
278L39.2Very low38.7Very low144 Ų144130.8 Ų130.875%0.75478%0.783SS**  42121.7109.9-77.3163.7000122.9
279L35.1Very low38.7Very low153 Ų153131.7 Ų131.780%0.80179%0.789SS**  trans49.993.7135.1-88.3172.5000121.1
280D42.1Very low38.4Very low144 Ų144130.9 Ų130.977%0.7779%0.792SS**  trans175.2170.2132.9-106.2-0.2000108.5
281M39.1Very low38.3Very low129 Ų129134 Ų13464%0.63579%0.793SS**  cis-174134.5-32.2163172.553.500106.2
282F36.8Very low39Very low201 Ų201134 Ų13488%0.88278%0.784SS**  trans35.3104172.8-60.4-61.5000119.3
283G33.6Very low40.1Very low73 Ų73135.7 Ų135.775%0.75379%0.788SS**  trans173.574.6166.600000118.7
284T32.1Very low41Very low135 Ų135135.7 Ų135.783%0.82879%0.788SS**  trans-8.6121.1160.1530000119.2
285T35.7Very low42Very low142 Ų142133.1 Ų133.187%0.87179%0.787SS**  -171.7144.2116.218.60000114.3
286A34.5Very low42.7Very low91 Ų91136.9 Ų136.975%0.75279%0.787SS**  trans34.793154.600000121.4
287C34.8Very low43.6Very low133 Ų133133.2 Ų133.290%0.89977%0.773SS**  -166.4159107.7-95.70000111.7
288K39.1Very low44.3Very low205 Ų205134.7 Ų134.789%0.89177%0.774SS**PPolyproline II helixtrans-98.9134.4-177.2-65.2177-179.8175.60111.1
289P43.2Very low45.5Very low125 Ų125134.8 Ų134.881%0.81277%0.77SS**PPolyproline II helixtrans-68.8150160.431-33.4000110.3
290A41.2Very low46.5Very low103 Ų103131.1 Ų131.185%0.85175%0.751SS**PPolyproline II helixtrans-75.2146.8-177.800000112.4
291K40.6Very low47.2Very low190 Ų190129.8 Ų129.883%0.82674%0.743SS**PPolyproline II helixtrans-90.3141.7173.2-172.5-175.4177.9-173.70108.8
292P55.1Low47.9Very low104 Ų104129.6 Ų129.668%0.67574%0.744SS**PPolyproline II helixtrans-58.9146.5171.525.4-34.7000110.9
293P59.9Low48.9Very low120 Ų120124.8 Ų124.878%0.77974%0.735SS**PPolyproline II helixtrans-67.1145.4-178.128.2-34.6000111.5
294P60.8Low49.9Very low111 Ų111128 Ų12872%0.72173%0.734SS**PPolyproline II helixtrans-70.6158.5169.832.5-34.9000111.1
295P57.4Low50.4Low127 Ų127130.5 Ų130.583%0.82573%0.734SS**PPolyproline II helixtrans-62.1151170.928-34.9000111.4
296K55Low51Low165 Ų165131.9 Ų131.972%0.71773%0.73SS**PPolyproline II helixtrans-67.9150.3-178.5-68.8174.6158.6-138.30112D300K296-D300 HydrophobicContact CB-CB 4.25Å; K296-D300 HydrophobicContact CD-CB 4.35Å; K296-D300 WeakPolarHBondContact CD-OD2 3.25Å; K296-D300 WeakPolarHBondContact CE-OD2 3.26Å; K296-D300 IonicContact NZ-OD2 3.16Å; K296-D300 PolarHBondContact NZ-OD2 2.74Å
297S59.1Low51.5Low70 Ų70136.7 Ų136.749%0.4974%0.738SS.*PPolyproline II helixtrans-76.8159.1173.942.70000112.3E299 D300S297-E299 PolarHBondContact O-N 2.82Å; S297-D300 PolarHBondContact O-N 2.88Å; S297-D300 VanDerWaalsContact O-N 3.14Å
298K55.1Low51.7Low164 Ų164136.3 Ų136.371%0.71373%0.733SS**THydrogen-bonded Turntrans-55.9-25.7-175.1-167.1174.1-178.4179.90114.1D300 I301K298-D300 VanDerWaalsContact C-N 3.33Å; K298-D300 PolarHBondContact O-N 2.73Å; K298-I301 PolarHBondContact O-N 3Å
299E64.4Low51.7Low145 Ų145135.1 Ų135.168%0.67873%0.73SS**Hα-helixtrans-67-29.7-179.3-63.4159.616200113.2S297 I301 S303S297-E299 PolarHBondContact O-N 2.82Å; E299-I301 PolarHBondContact O-N 3Å; E299-S303 PolarHBondContact O-OG 2.8Å
300D56.5Low51.4Low76 Ų76136 Ų13641%0.40673%0.733SS.*Hα-helixtrans-73.8-13.5-177.9-124.236.6000112.9K296 S297 K298K296-D300 HydrophobicContact CB-CB 4.25Å; K296-D300 HydrophobicContact CD-CB 4.35Å; K296-D300 WeakPolarHBondContact CD-OD2 3.25Å; K296-D300 WeakPolarHBondContact CE-OD2 3.26Å; K296-D300 IonicContact NZ-OD2 3.16Å; K296-D300 PolarHBondContact NZ-OD2 2.74Å; S297-D300 PolarHBondContact O-N 2.88Å; S297-D300 VanDerWaalsContact O-N 3.14Å; K298-D300 VanDerWaalsContact C-N 3.33Å; K298-D300 PolarHBondContact O-N 2.73Å
301I56.9Low51.2Low116 Ų116136.1 Ų136.160%0.59573%0.725SS**Hα-helixtrans-93-35.1-179.1-60.4176000110.9K298 E299 S303K298-I301 PolarHBondContact O-N 3Å; E299-I301 PolarHBondContact O-N 3Å; I301-S303 PolarHBondContact O-N 3.48Å
302L53.6Low50.8Low126 Ų126134.7 Ų134.766%0.6673%0.726SS**Hα-helixtrans-69.2-20-179.4-73.7160.5000113.4L304L302-L304 VanDerWaalsContact C-N 3.31Å; L302-L304 PolarHBondContact O-N 2.96Å
303S58.9Low49.9Very low100 Ų100135.3 Ų135.370%0.69973%0.733SS**THydrogen-bonded Turntrans-86.412.2-176-570000114.9E299 I301E299-S303 PolarHBondContact O-OG 2.8Å; I301-S303 PolarHBondContact O-N 3.48Å
304L53.1Low48.6Very low139 Ų139138.3 Ų138.373%0.72874%0.736SS**THydrogen-bonded Turntrans-110.8-4.6-172.5-88.7164.5000115.8L302L302-L304 VanDerWaalsContact C-N 3.31Å; L302-L304 PolarHBondContact O-N 2.96Å
305F44.6Very low47.7Very low189 Ų189138.2 Ų138.283%0.82974%0.736SS**SBendtrans-115.63.1-173.1-77.8-82.5000115.7
306E47.6Very low46.6Very low170 Ų170136.5 Ų136.579%0.79473%0.732SS**  trans-108.673.9-178.6-67.6-165.9131.500114.6
307Q44.1Very low45.9Very low193 Ų193133.7 Ų133.790%0.90273%0.733SS**  trans-170.4142.7141.5-108.8150.17200113.9
308P39.6Very low45.1Very low124 Ų124139.7 Ų139.781%0.80575%0.751SS**  trans-96.2168.7-17037.9-37.3000116
309H38.3Very low44.6Very low180 Ų180137.1 Ų137.183%0.83375%0.751SS**  trans-57.5147.8170-73.6-112.7000114.1
310V38.4Very low43.4Very low143 Ų143136.8 Ų136.887%0.86775%0.754SS**  -165.3172.6104.8-103.40000110.3
311P35.4Very low42.6Very low106 Ų106139.9 Ų139.969%0.68877%0.769SS**  trans-129.9-167-138.646.6-32.5000117.9
312L32.6Very low42.1Very low160 Ų160142 Ų14284%0.83878%0.781SS**  trans87.9147.3153-81.6166.8000122.4
313S35.9Very low41.3Very low118 Ų118144.5 Ų144.583%0.82579%0.789SS**  trans90.8153159.576.20000121.1
314Q32.9Very low40.7Very low182 Ų182146.8 Ų146.885%0.8579%0.793SS**  trans-120.6-157.5-170.5-45.7173-2600109.3
315P41.3Very low40.5Very low109 Ų109147 Ų14771%0.70880%0.795SS**  cis-137.6172.6-17.635-14.2000117.1
316A35.6Very low40.4Very low91 Ų91144.6 Ų144.675%0.75279%0.791SS**  trans56.2134.614400000124.4
317S39Very low39.9Very low106 Ų106143.2 Ų143.274%0.74179%0.788SS**  170.4133.4101.149.30000117.9
318K43.9Very low39.7Very low196 Ų196142.5 Ų142.585%0.85279%0.785SS**  trans66161.2141.3-70.7-178.6176.6-179.60121.8
319P43Very low39.6Very low111 Ų111141.3 Ų141.372%0.72178%0.776SS**  cis-147.5174.1-43.142.9-25.4000117.6
320D40.1Very low39.6Very low138 Ų138140.6 Ų140.674%0.73878%0.776SS**  trans100.4147.7132.2-132.5-6.6000125.2
321L40.3Very low39.5Very low140 Ų140136.7 Ų136.773%0.73377%0.765SS**  trans64.5128166-51.7179.2000118.7
322L45.4Very low39.5Very low160 Ų160141.3 Ų141.384%0.83878%0.777SS**  cis-140-165.226.7-74.5171000114
323H37.7Very low39.6Very low180 Ų180137.5 Ų137.583%0.83378%0.777SS**  trans-146.1-169.1-162.3-105.942.2000115.8
324D45.4Very low39.5Very low147 Ų147140.5 Ų140.579%0.78678%0.778SS**  trans84.2132175.1-46.3-19.6000113.7
325D49Very low39.7Very low143 Ų143137.7 Ų137.777%0.76578%0.775SS**  cis-148.6170.910.3-95.3-25000107.8
326L42.7Very low39.5Very low140 Ų140137 Ų13773%0.73377%0.771SS**  cis-163-176-1.3-118.2168.9000110.5
327D38Very low39.3Very low140 Ų140141 Ų14175%0.74977%0.774SS**  trans-79.3179.2-178.7-53.8-84.2000115.2
328E38.5Very low39.1Very low179 Ų179144.9 Ų144.984%0.83678%0.78SS**  cis-153.716729.4-70.7-175.1108.800111
329T38.1Very low38.7Very low98 Ų98143.9 Ų143.960%0.60178%0.779SS**  cis-172.2149.1-19.4380000110.4
330I38Very low38.2Very low166 Ų166146.9 Ų146.985%0.85178%0.783SS**  trans63.3132.5151-60.2156.9000119.4
331G36.5Very low38.1Very low60 Ų60144.6 Ų144.662%0.61978%0.776SS**  cis164.7167.9-7.500000115.1
332E36Very low37.9Very low203 Ų203144.9 Ų144.995%0.94978%0.778SS**  trans63.6131.8158.1-54.7178.5172.200119.7
333G34.3Very low37.4Very low81 Ų81142.7 Ų142.784%0.83577%0.772SS**  cis179.6158.1-5.800000114.5
334E33Very low37.3Very low180 Ų180141.5 Ų141.584%0.84177%0.766SS**  trans-85.2166.1172.6-120.8178.5147.600111.4
335P38.7Very low36.8Very low123 Ų123141.9 Ų141.980%0.79976%0.763SS**  -154.1-176.267.440.4-17.6000117.6
336P36.5Very low36.1Very low94 Ų94140.1 Ų140.161%0.6176%0.762SS**  trans-118.4-166.8-17143.1-32.5000117.1
337E31.9Very low35.7Very low176 Ų176140.7 Ų140.782%0.82277%0.766SS**  trans77.1120.8161.7-65.9174.6176.900121.5
338Q34.5Very low35.4Very low187 Ų187142.5 Ų142.587%0.87477%0.77SS**  175.6169.7121.1-94169.513.200114.3
339E35.2Very low35.3Very low176 Ų176142.6 Ų142.682%0.82277%0.774SS**  trans-97.7157.9-151.1-57.7150.5123.200117
340E32Very low35.1Very low173 Ų173143.1 Ų143.181%0.80878%0.782SS**  trans36.8156.2138.4-62.5-77104.500122.9
341P39.3Very low35.1Very low91 Ų91141 Ų14159%0.59178%0.782SS**  cis-138.2-151.5-37.339.7-19.6000112.7
342D34.9Very low35Very low146 Ų146147.7 Ų147.778%0.78179%0.789SS**  trans84.3112.8157.2-69.1-10.7000123.5
343T34.9Very low35.2Very low114 Ų114146 Ų14670%0.69979%0.786SS**  trans87.693.1130.7-54.50000122.4
344E35.7Very low35.4Very low155 Ų155148.5 Ų148.572%0.72478%0.776SS**  89.9139.9128.2-81.6-176.2-131.500126
345Q35Very low35.9Very low154 Ų154146.1 Ų146.172%0.7278%0.776SS**  trans79100.4148.5-74176.851.800123.1
346S35.2Very low35.6Very low106 Ų106145.5 Ų145.574%0.74177%0.77SS**  trans64.9137.5139.565.40000119.6
347N33.5Very low35.5Very low152 Ų152151 Ų15181%0.81379%0.785SS**  cis-154.2176.131.1-125.6-0.8000113.9
348E31.3Very low35.5Very low179 Ų179147.5 Ų147.584%0.83678%0.775SS**  trans-68.2154.1-166.2-52.4166.611500117.8
349I38Very low35.4Very low180 Ų180143.8 Ų143.892%0.92377%0.77SS**  trans-159.2151.5139.6-102.7156.3000108.4
350S32.4Very low35.3Very low109 Ų109141.6 Ų141.676%0.76276%0.763SS**  trans-118.6143.7-162.5-179.50000115.1
351S38.1Very low35.4Very low122 Ų122141.1 Ų141.185%0.85377%0.766SS**  trans-154130.5146.154.50000110.5
352R35Very low35.2Very low200 Ų200143.2 Ų143.276%0.75577%0.77SS**  trans-160.6118.7-179.1-177.1178.9-179.2169.81.8109.7E354R352-E354 IonicContact CZ-OE2 3.94Å; R352-E354 IonicContact NE-OE2 3.47Å; R352-E354 PolarHBondContact NE-OE2 2.93Å; R352-E354 IonicContact NH2-OE2 3.04Å; R352-E354 PolarHBondContact NH2-OE2 3.06Å
353D40.4Very low35.5Very low167 Ų167146.5 Ų146.589%0.89377%0.772SS**  trans-128.8111.7176.1-77.4-60.5000109.9
354E37.9Very low35.8Very low134 Ų134147 Ų14763%0.62678%0.777SS**  trans-123.3130.4167.4-68.6-179.799.100107.9R352 V356R352-E354 IonicContact CZ-OE2 3.94Å; R352-E354 IonicContact NE-OE2 3.47Å; R352-E354 PolarHBondContact NE-OE2 2.93Å; R352-E354 IonicContact NH2-OE2 3.04Å; R352-E354 PolarHBondContact NH2-OE2 3.06Å; E354-V356 PolarHBondContact O-N 3.11Å; E354-V356 VanDerWaalsContact O-N 3.13Å
355P44.1Very low36.1Very low130 Ų130146.9 Ų146.984%0.84478%0.781SS**  trans-75104.7-179.429.3-33.2000111
356V33Very low36.2Very low111 Ų111148.6 Ų148.667%0.67379%0.789SS**  trans-71.3126.6176.7175.70000111.1E354 T358E354-V356 PolarHBondContact O-N 3.11Å; E354-V356 VanDerWaalsContact O-N 3.13Å; V356-T358 WeakPolarHBondContact CG1-OG1 3.45Å
357F33.5Very low36.3Very low209 Ų209148.7 Ų148.792%0.91779%0.79SS**  trans-13285.5160.8-109.9-80.6000110.1S359F357-S359 PolarHBondContact O-N 3.39Å
358T31.3Very low36.5Very low102 Ų102146.6 Ų146.663%0.62678%0.783SS**  trans-77.2103.9-176-34.40000111.3V356 L360V356-T358 WeakPolarHBondContact CG1-OG1 3.45Å; T358-L360 HydrophobicContact CG2-CD2 4.01Å; T358-L360 HydrophobicContact CG2-CG 3.96Å; T358-L360 PolarHBondContact O-N 2.89Å
359S33Very low37Very low109 Ų109146.7 Ų146.776%0.76278%0.783SS**  trans-79.994.4169.3-164.10000110.1F357 L361F357-S359 PolarHBondContact O-N 3.39Å; S359-L361 PolarHBondContact O-N 3.16Å; S359-L361 VanDerWaalsContact O-N 3.08Å
360L33.1Very low36.9Very low130 Ų130145.2 Ų145.268%0.68178%0.777SS**  trans-82.280.5179.4-76176.9000112T358 I362T358-L360 HydrophobicContact CG2-CD2 4.01Å; T358-L360 HydrophobicContact CG2-CG 3.96Å; T358-L360 PolarHBondContact O-N 2.89Å; L360-I362 VanDerWaalsContact C-N 3.29Å; L360-I362 HydrophobicContact CB-CD1 4.41Å; L360-I362 HydrophobicContact CB-CG1 4.28Å; L360-I362 PolarHBondContact O-N 3.13Å
361L34.3Very low37.1Very low164 Ų164148 Ų14886%0.85978%0.782SS**  trans-69.584160.8-91.3164.2000110.2S359S359-L361 PolarHBondContact O-N 3.16Å; S359-L361 VanDerWaalsContact O-N 3.08Å
362I35.9Very low37Very low135 Ų135148.4 Ų148.469%0.69278%0.779SS**  trans-87.4122.5174.5-63.4175.6000109.5L360L360-I362 VanDerWaalsContact C-N 3.29Å; L360-I362 HydrophobicContact CB-CD1 4.41Å; L360-I362 HydrophobicContact CB-CG1 4.28Å; L360-I362 PolarHBondContact O-N 3.13Å
363R39.4Very low37Very low215 Ų215144.5 Ų144.581%0.81178%0.782SS**  trans-76.3134.3168.7-61177.8-177.9172.60.6109.7
364P42.7Very low36.6Very low125 Ų125145.3 Ų145.381%0.81278%0.781SS**  trans-91.5107.5164.332.7-27.3000110
365D40.3Very low36.6Very low151 Ų151144.9 Ų144.981%0.80779%0.79SS**  trans-80.8154.5166-79.2-51.4000111
366E38.4Very low36Very low190 Ų190148 Ų14889%0.88879%0.793SS**  trans-76.7131.8-175.1-63.7179.880.700113.2
367S37.1Very low36Very low109 Ų109147.6 Ų147.676%0.76280%0.801SS**  164.3167.4128.355.30000113.9
368T38Very low36Very low108 Ų108142.7 Ų142.766%0.66380%0.799SS**  trans84.669.3152.5-41.20000118.9
369H42.2Very low36Very low180 Ų180144.7 Ų144.783%0.83381%0.811SS**  trans79.3147.6133.5-60.6-47.7000123.2
370D35.8Very low36.1Very low149 Ų149142.8 Ų142.880%0.79781%0.809SS**  trans-71.8150.5-178.7-48.5-106.1000115
371I36.8Very low36.1Very low169 Ų169144.7 Ų144.787%0.86782%0.819SS**  -155.7142.5126.9-109.8161.6000110.4
372T34.7Very low36.1Very low129 Ų129145.7 Ų145.779%0.79182%0.819SS**  trans-86.5138.8-174.7172.80000113.3
373S35.5Very low36Very low118 Ų118150.1 Ų150.183%0.82583%0.828SS**  trans-165.8154.5152.9-84.80000112.7
374Q32.2Very low35.9Very low185 Ų185148.1 Ų148.186%0.86483%0.827SS**  trans-75.2150.4-171.2-59.6163.3-49.300113.9
375P36.8Very low35.6Very low125 Ų125147.9 Ų147.981%0.81282%0.823SS**  trans-87.6136.3160.634.1-30.6000111.8
376Q31.5Very low35.4Very low196 Ų196147.1 Ų147.192%0.91682%0.819SS**  trans-128.2155.6160.1-93-166.7-2600110.2
377A32.7Very low35.4Very low102 Ų102144.8 Ų144.884%0.84381%0.813SS**  trans-69.6146.1-165.600000114.2
378A34.2Very low35.4Very low105 Ų105147.9 Ų147.987%0.86882%0.817SS**  trans-103.2103.8171.700000110.9
379T32.4Very low35.4Very low144 Ų144147.4 Ų147.488%0.88383%0.825SS**  trans-110.6150.215849.50000108.8
380G33.8Very low35Very low70 Ų70143.2 Ų143.272%0.72282%0.821SS**  trans127.489.9164.100000117.1
381L32.5Very low35.2Very low169 Ų169142.4 Ų142.489%0.88582%0.824SS**  -100.4149.6114.8-93.877000105.9
382E34.8Very low35.1Very low185 Ų185140.1 Ų140.186%0.86482%0.823SS**  cis-128.9-175.619.6-66.4-175.6105.100114.2
383R35.2Very low35.4Very low229 Ų229137.7 Ų137.786%0.86482%0.824SS**  trans-72.7171.3170.8-55.6165.9175.4163.8-2.7109.1
384Q35.3Very low35.4Very low173 Ų173138.8 Ų138.881%0.80883%0.825SS**  cis-171.5145.525.6-144.3167.30.600104.5
385V37.8Very low35.6Very low120 Ų120134.3 Ų134.373%0.72782%0.82SS**  -176.2137.968.9170.60000109.7
386N35.9Very low35.4Very low134 Ų134133.4 Ų133.472%0.71782%0.817SS**  trans-6142.5158-51.6-15.8000123.5
387N37.7Very low35.7Very low142 Ų142129.9 Ų129.976%0.75981%0.809SS**  114.6123.1125.8-81.5-10.8000123.1
388M37.3Very low35.9Very low173 Ų173133.5 Ų133.585%0.85281%0.808SS**  trans89.3108.2136-78.3-178.1153.300123.4
389A38.1Very low35.7Very low99 Ų99139.5 Ų139.582%0.81881%0.808SS**  85.6112.8127.800000121.3
390A34.6Very low35.9Very low91 Ų91137 Ų13775%0.75280%0.802SS**  trans-89.4170.7150.900000110.7
391P40.5Very low36.2Very low133 Ų133139 Ų13986%0.86480%0.801SS**  -145.4177.398.239.2-23.9000115.4
392S34.4Very low36.3Very low121 Ų121137 Ų13785%0.84680%0.796SS**  trans-89159.6-172.553.50000115.9
393G40.7Very low37.1Very low78 Ų78133.8 Ų133.880%0.80479%0.79SS**  trans-150.5145.5166.100000112.1
394T35.5Very low37.1Very low140 Ų140130.1 Ų130.186%0.85979%0.788SS**  trans-124.3145.5-167.252.80000113.4
395A36.2Very low37.8Very low91 Ų91129.6 Ų129.675%0.75279%0.789SS**  trans169121.4131.600000115.5
396S32.3Very low37.7Very low107 Ų107131.9 Ų131.975%0.74879%0.792SS**  trans30.2136.5141.761.80000123.9
397T37.8Very low37.6Very low121 Ų121132.4 Ų132.474%0.74279%0.793SS**  -172.3117.2118.8-76.30000114.9
398Q37.1Very low37.7Very low178 Ų178132.4 Ų132.483%0.83280%0.798SS**  trans43.598.5144.1-56.8177.6700124.7
399R30.9Very low37.5Very low232 Ų232130.3 Ų130.388%0.87580%0.795SS**  37123.6111.7-162.4-173.1-146.6-146.76.2123T401R399-T401 HydrophobicContact CG-CG2 4.46Å
400A35.6Very low37.8Very low91 Ų91132.6 Ų132.675%0.75280%0.799SS**  trans-158.5107.4142.600000108.6
401T39.4Very low38.2Very low113 Ų113137.3 Ų137.369%0.69381%0.806SS**  72.8112.278.358.20000116.3R399R399-T401 HydrophobicContact CG-CG2 4.46Å
402T35.7Very low38.3Very low127 Ų127137.9 Ų137.978%0.77980%0.801SS**  trans-79.3167168.943.50000113
403P51.2Low38.8Very low116 Ų116139.3 Ų139.375%0.75380%0.799SS**  trans-127.2125.4155.535.4-21000113.2
404D35.9Very low39.1Very low152 Ų152141.1 Ų141.181%0.81380%0.796SS**  trans-82149.9161.3-53.9-78000110.1
405I49.7Very low39.4Very low162 Ų162145.6 Ų145.683%0.83180%0.797SS**  trans-139.3124.2171.7-60.6-177.4000109.7
406E36.2Very low39.6Very low169 Ų169145 Ų14579%0.7979%0.788SS**  trans-93.8146.7176.2-65.5-178.6132.200112.7
407I33.3Very low40.2Very low144 Ų144146.5 Ų146.574%0.73879%0.787SS**  trans39.2110.3141.8-51.3164.8000118.5
408T39.1Very low40.7Very low142 Ų142148.4 Ų148.487%0.87179%0.793SS**  trans-147133.9136.247.70000111.4
409T34.3Very low40.8Very low129 Ų129148.9 Ų148.979%0.79180%0.796SS**  trans-91.2146.6176.650.10000113
410V42.8Very low41.7Very low148 Ų148146 Ų14690%0.89780%0.797SS**  trans-156.1149.9150.8-100.80000109.9
411E42.8Very low42Very low190 Ų190150.2 Ų150.289%0.88880%0.802SS**  trans-100.5-155.9-174.3-60.7171.410000112.3
412D42.6Very low42.3Very low145 Ų145149.6 Ų149.678%0.77580%0.8SS**  trans80128-179.4-72-16.1000116.8
413L45.7Very low42.4Very low151 Ų151153.2 Ų153.279%0.79181%0.808SS**  cis-149.5162.5-0.5-97153.6000110.8
414P48.1Very low41.7Very low116 Ų116152.2 Ų152.275%0.75381%0.809SS**  trans-107.3-160.9-164.343.8-39.4000114.8
415R40.4Very low41.8Very low233 Ų233153.2 Ų153.288%0.87981%0.811SS**  trans118.8132.9160.9-163171.6-163.4145.310.4112.9
416S41.8Very low41.2Very low80 Ų80154.6 Ų154.656%0.55981%0.814SS**  cis-161149.27.327.40000112.1
417D43.6Very low41Very low137 Ų137155 Ų15573%0.73382%0.815SS**  trans58.4151.5139.9-39.7-17.4000118.4
418D47.8Very low41.2Very low161 Ų161153.7 Ų153.786%0.86182%0.816SS**  cis-125.3167.110.2-75.6-74.2000113
419E40.3Very low41.1Very low189 Ų189154.9 Ų154.988%0.88381%0.812SS**  trans-112.9156.4178.2-58.4-177125.500112
420D49.4Very low41Very low171 Ų171155.5 Ų155.591%0.91482%0.816SS**  trans-162.7111.7146.4-112.5-27.2000112.2
421E41.7Very low40.7Very low180 Ų180156.7 Ų156.784%0.84181%0.812SS**  trans-158.7172.6171.9-133.7-152.7-176.200106.1
422P45.9Very low40.3Very low100 Ų100154.2 Ų154.265%0.64981%0.81SS**  cis-127-174.6-23.340.8-26.8000111.9
423E38.5Very low39.7Very low203 Ų203154.6 Ų154.695%0.94980%0.804SS**  trans-158.6159.2135.8-123.2177.9-167.100112.2
424A34.9Very low39.2Very low94 Ų94153 Ų15378%0.77780%0.803SS**  trans-138.7141.6-163.500000115
425M39.9Very low38.3Very low174 Ų174153.7 Ų153.786%0.85780%0.796SS**  trans-152.8105.3163.7-91.7167.963.600107.9
426Q35.9Very low38.3Very low190 Ų190150.9 Ų150.989%0.88880%0.797SS**  80.5123.583.1-75.7-176.41.200115
427E32Very low38.1Very low177 Ų177155.4 Ų155.483%0.82781%0.809SS**  trans-80.9-178.7-178.6-56.9171.2101.200112.7
428P37.3Very low37.9Very low117 Ų117154.5 Ų154.576%0.7681%0.811SS**  -145.7132.191.436-19000117.3
429E36.4Very low37.4Very low168 Ų168154.3 Ų154.379%0.78581%0.81SS**  trans28.5134.4131-54.9-178.1132.700121.9
430T34.1Very low37.3Very low141 Ų141150.9 Ų150.987%0.86580%0.802SS**  -145.2141.4125.5-45.30000111
431E36Very low36.6Very low174 Ų174151 Ų15181%0.81380%0.797SS**  trans-55.4156.7-171.1-66.316610800115.4
432T33.8Very low36.6Very low137 Ų137148.4 Ų148.484%0.8480%0.796SS**  -159.9145.253.7-42.70000114.4
433K30.5Very low36.1Very low153 Ų153151.3 Ų151.367%0.66580%0.801SS**  trans-133.4151.5174.3-143.4-170.4-177.6-173.80108.2Q435K433-Q435 HydrophobicContact CD-CB 4.18Å; K433-Q435 VanDerWaalsContact CE-OE1 3.3Å; K433-Q435 HydrophobicContact CG-CB 4.36Å
434P36.1Very low36.1Very low119 Ų119148 Ų14877%0.77379%0.788SS**  -143.1155.680.836.7-19.3000112.9
435Q28.4Very low36.2Very low129 Ų129149.1 Ų149.160%0.60379%0.785SS**  cis76.497.537.7-164168.5-4.200115.4K433K433-Q435 HydrophobicContact CD-CB 4.18Å; K433-Q435 VanDerWaalsContact CE-OE1 3.3Å; K433-Q435 HydrophobicContact CG-CB 4.36Å
436I39.5Very low36Very low174 Ų174145.8 Ų145.889%0.89278%0.779SS**  trans-136.7154156.5-67.2-172.6000107.8
437E37.5Very low36.1Very low175 Ų175144.4 Ų144.482%0.81877%0.773SS**  trans-94.3171.5-165.4-81.8175.6126.700115.6
438P40.9Very low36.4Very low118 Ų118142.8 Ų142.877%0.76677%0.765SS**  trans-99.8158.7-172.239-35.4000115.6
439D37.5Very low36.4Very low157 Ų157142.3 Ų142.384%0.8476%0.764SS**  trans-166.4161165.2-102.9-41.4000106.3
440T37.9Very low36.4Very low118 Ų118139.6 Ų139.672%0.72476%0.761SS**  cis-171.6160.4-29.5-94.70000106.2
441E35.1Very low37.4Very low173 Ų173138.8 Ų138.881%0.80876%0.758SS**  trans-49.9155.7173.8-102.4177.4158.100114.5
442P40.5Very low37.3Very low126 Ų126136.6 Ų136.682%0.81876%0.757SS**  -156.6171.673.342.6-21.4000120.8
443E36.1Very low37.5Very low161 Ų161136.2 Ų136.275%0.75275%0.745SS**  trans-48.1171.7167-101.8-167.8134.400120.7
444I38.2Very low37.8Very low132 Ų132138.2 Ų138.268%0.67775%0.749SS**  trans100.4109.4136.4-87.6162000122.2
445V36.8Very low37.9Very low118 Ų118139.7 Ų139.772%0.71575%0.749SS**  trans84.296.5133174.60000122.8
446S36.5Very low38.3Very low104 Ų104139.7 Ų139.773%0.72776%0.758SS**  74146.4115.4-50.70000125.8
447E37Very low38.1Very low162 Ų162135.7 Ų135.776%0.75774%0.742SS**  trans112.5124.4143.7-64.1-127.3135.800122
448H39.1Very low38Very low143 Ų143136.2 Ų136.266%0.66274%0.744SS**  trans67.7103.6142.2-75.193.2000124.5
449S37.7Very low37.7Very low106 Ų106134.6 Ų134.674%0.74174%0.741SS**  77.7150.4121.2-61.90000122.6
450P36.2Very low37.5Very low111 Ų111131.4 Ų131.472%0.72174%0.736SS**  trans-99.8163.3-173.239.7-36.8000114.9
451P54.1Low37.3Very low125 Ų125133.2 Ų133.281%0.81274%0.741SS**  trans-94.7144.616835.9-31.2000112.8
452T34.5Very low37.3Very low128 Ų128130.1 Ų130.179%0.78573%0.733SS**  trans-132.6163.2169.3-42.40000108.8
453E38.3Very low36.9Very low128 Ų128131.5 Ų131.560%0.59873%0.734SS**  trans95.1116.3158.1-58-139.3111.300121.1
454R37.1Very low36.8Very low195 Ų195127.8 Ų127.874%0.73674%0.739SS**  94106.6122.8-77.6174.9-163.6179.317.2122.4
455L36.6Very low36.5Very low150 Ų150129.6 Ų129.679%0.78575%0.745SS**  98.7153.3107.4-162.171.5000118.9
456V37.3Very low36.2Very low129 Ų129130.8 Ų130.878%0.78275%0.746SS**  trans95.9129.7163.5-170.50000115.9
457T34.7Very low36.1Very low91 Ų91132.9 Ų132.956%0.55875%0.748SS**  cis-177.4134.3-35.8-95.20000108.8
458Q35.9Very low35.8Very low185 Ų185129.7 Ų129.786%0.86475%0.749SS**  trans61.7167.6163.8-73.7157.113.500118.6
459A33.7Very low35.6Very low84 Ų84127.9 Ų127.969%0.69476%0.759SS**  cis-179.4157-40.400000109.5
460A34.5Very low35.6Very low90 Ų90130.6 Ų130.674%0.74476%0.759SS**  trans67.2158158.400000117.7
461L33.6Very low35.8Very low156 Ų156131 Ų13182%0.81776%0.763SS**  cis-166.9165.4-19.5-107.8170.5000108.3
462V35.2Very low35.1Very low108 Ų108132.7 Ų132.766%0.65576%0.759SS**  trans72.6119147.9158.20000120
463D31.1Very low35.4Very low156 Ų156131.5 Ų131.583%0.83475%0.754SS**  trans44.8140.6137.4-41.2-18.3000122
464G34.8Very low35.5Very low83 Ų83134 Ų13486%0.85677%0.766SS**  trans-176.931-178.100000119.2
465E31.9Very low35.6Very low170 Ų170131.8 Ų131.879%0.79476%0.763SS**  trans-8.8131.4162.8-163.9175.9131.200121.8
466L30.4Very low35.7Very low143 Ų143132 Ų13275%0.74976%0.762SS**  trans76163.4146.4-81.9176.3000125.1
467I33.9Very low35.7Very low148 Ų148132.5 Ų132.576%0.75976%0.761SS**  trans86.880.1162-57.5122.5000118.6
468A31.6Very low35.9Very low95 Ų95134.5 Ų134.579%0.78577%0.773SS**  36.1140.711400000122.9
469A35Very low36Very low104 Ų104128.9 Ų128.986%0.8677%0.765SS**  -155.6114.9129.500000112
470E37.2Very low36.1Very low163 Ų163133 Ų13376%0.76277%0.774SS**  trans-81.1163.7167.4-130.5160.5-160.100110.2E472E470-E472 HydrophobicContact CG-CG 4.41Å
471P41.2Very low36.2Very low121 Ų121136.3 Ų136.379%0.78678%0.779SS**  -138.2143.878.124.8-3.7000114.1
472E38Very low36.2Very low159 Ų159138.1 Ų138.174%0.74378%0.781SS**  96.2154.154.7-94-138.4117.700114E470E470-E472 HydrophobicContact CG-CG 4.41Å
473P41.8Very low36.5Very low103 Ų103138.1 Ų138.167%0.66978%0.783SS**  trans-129.9-165.4-137.944.9-29.7000114.5
474E39.1Very low36.4Very low182 Ų182138.9 Ų138.985%0.8579%0.786SS**  trans-179.5149.2158.5-102.1167.1-15000108.2
475E39.9Very low36.3Very low147 Ų147139 Ų13969%0.68778%0.779SS**  cis-169149.5-27.3-136.3-169.5172.900110.3
476M39.9Very low36.5Very low155 Ų155135.9 Ų135.976%0.76478%0.776SS**  trans64.7160.4162.3-54.1179.3-75.900118.3
477D36.8Very low36.6Very low140 Ų140135.3 Ų135.375%0.74978%0.784SS**  cis-144.4-174.50.6-151-18.8000112.6
478T37.4Very low36.5Very low132 Ų132131.8 Ų131.881%0.8178%0.784SS**  trans-92.6167.3-157.247.40000118.9
479G38.4Very low36.7Very low67 Ų67135.9 Ų135.969%0.69179%0.787SS**  trans107.7108.8153.800000115.5
480L36.5Very low36.8Very low171 Ų171138.1 Ų138.190%0.89578%0.784SS**  5195.262.3-63.4178.2000114.8
481D36.7Very low36.7Very low159 Ų159135.8 Ų135.885%0.8579%0.786SS**  -172.816597-120.4-31.2000114
482F34Very low36.7Very low194 Ų194134.7 Ų134.785%0.85179%0.787SS**  trans-96.6178.6172.6-89-89000111.1
483P40.5Very low36.6Very low109 Ų109134.7 Ų134.771%0.70879%0.792SS**  cis-134.4171.9-1326.7-3.5000116.3
484L30.1Very low36.6Very low171 Ų171135 Ų13590%0.89579%0.794SS**  trans50.3109140-172.674.6000121.4
485A32.5Very low36.3Very low85 Ų85136.1 Ų136.170%0.70280%0.796SS**  -176.9159.6124.700000114.1
486S34.6Very low36Very low106 Ų106133.9 Ų133.974%0.74180%0.803SS**  trans56.4101.6159.357.70000121.4
487S32.8Very low36.1Very low130 Ų130132 Ų13291%0.90981%0.805SS**  48.8108.6120-49.70000122.2
488G31.7Very low36.4Very low74 Ų74130.3 Ų130.376%0.76380%0.802SS**  116.9165.6121.300000119.7
489Q36.8Very low36.5Very low181 Ų181131.3 Ų131.385%0.84680%0.802SS**  trans73131.9163.8-80.2-175-25.400121.4
490L37.1Very low36.4Very low152 Ų152137.2 Ų137.280%0.79681%0.812SS**  trans68.6121.7150.9-59.6165.6000117.4
491S35.4Very low36.3Very low114 Ų114138.5 Ų138.580%0.79781%0.813SS**  cis91.792.549.7-178.40000113.5
492A40.3Very low36.2Very low97 Ų97139.5 Ų139.580%0.80281%0.813SS**  trans-158.3132.4155.800000111.9
493N36.4Very low36.5Very low159 Ų159136.2 Ų136.285%0.8581%0.811SS**  trans-101.3-176.6165.6-73.3-26.7000108.3
494P42.1Very low36.1Very low111 Ų111136.5 Ų136.572%0.72181%0.806SS**  -133.8-172.9-55.639.6-24000112.2
495F32Very low36.3Very low205 Ų205138.7 Ų138.790%0.89981%0.809SS**  trans55.284.7144-116.6-87.7000119.9
496A34Very low36.4Very low100 Ų100138.2 Ų138.283%0.82681%0.805SS**  trans-159.1140.7141.100000111.1
497S42.5Very low36.4Very low115 Ų115139.1 Ų139.180%0.80481%0.809SS**  trans-114.4177.4170.3-41.50000108.7
498P43.6Very low36.4Very low104 Ų104141.9 Ų141.968%0.67581%0.809SS**  cis-125.4-174.4-11.921.83.7000111.4
499D37.7Very low36.5Very low154 Ų154144.4 Ų144.482%0.82481%0.812SS**  174.6163.5113.3-83.4-13.8000110.6
500E36.9Very low36.3Very low191 Ų191140.3 Ų140.389%0.89381%0.81SS**  trans-103.2144.7-163.4-54.1176.4126.500112.9
501E35.7Very low36.2Very low197 Ų197137.8 Ų137.892%0.92181%0.81SS**  trans-163.8108.5146-116.5170.7-154.900111.7
502E33.6Very low36Very low180 Ų180139.2 Ų139.284%0.84181%0.814SS**  trans-82.9155.7163.5-79.1-162.6154.800111
503P39.4Very low35.7Very low125 Ų125139 Ų13981%0.81281%0.812SS**  trans-126.588.2137.735.4-26.7000113.4
504N33.7Very low35.4Very low115 Ų115138.5 Ų138.562%0.61581%0.81SS**  46.9111.6114.4-177.516.3000118.4A506N504-A506 PolarHBondContact OD1-N 2.93Å
505F33.9Very low35.1Very low218 Ų218141.1 Ų141.196%0.95682%0.816SS**  trans-127.4122.3142.8-119.7-87.7000110.3
506A34.6Very low35.2Very low75 Ų75141 Ų14162%0.6282%0.815SS**  trans-83.9149.6-161.800000114.8N504N504-A506 PolarHBondContact OD1-N 2.93Å
507P34.2Very low35Very low125 Ų125140.2 Ų140.281%0.81281%0.809SS**  trans-82.8166.6176.535.2-36.8000113.1
508M31.9Very low34.5Very low188 Ų188140.9 Ų140.993%0.92681%0.807SS**  trans-128.3149.2163.8-80.2-148.9-65.700112.9
509P33.8Very low34.1Very low126 Ų126143.2 Ų143.282%0.81881%0.814SS**  trans-112.7153.9-168.540.7-32.9000115.5
510A33.3Very low34.2Very low96 Ų96142.9 Ų142.979%0.79381%0.813SS**  trans-160.2119.215100000107.6
511A35.7Very low34.5Very low98 Ų98139.4 Ų139.481%0.8181%0.806SS**  102.1116.551.500000111
512V29.8Very low34.6Very low144 Ų144136.3 Ų136.387%0.87380%0.796SS**  trans-76.6133.7-177.8176.40000110.9
513A34.4Very low34.8Very low92 Ų92133.8 Ų133.876%0.7680%0.798SS**  trans-143.7112.8167.400000111.9
514N30.6Very low34.6Very low150 Ų150135.6 Ų135.680%0.80280%0.796SS**  trans-71.7146.3157.9-67.1-48.5000109.2
515I36.4Very low34.6Very low165 Ų165137.6 Ų137.685%0.84680%0.804SS**  trans-164.5143.7146.2-103.6146.9000110.6
516F32.6Very low34.6Very low204 Ų204134.6 Ų134.690%0.89579%0.793SS**  trans-94.3130.3174.8-99.3-106.2000111.7
517A30.4Very low34.4Very low83 Ų83137 Ų13769%0.68680%0.799SS**  trans71.6164.5139.600000122
518V32.8Very low34.5Very low128 Ų128136 Ų13678%0.77679%0.793SS**  trans75.6112.4164.5-165.90000115
519N35.5Very low34.5Very low153 Ų153137.1 Ų137.182%0.81879%0.793SS**  -171.5158.753.8-135.62.1000112.5
520D38.6Very low34.4Very low148 Ų148135.5 Ų135.579%0.79179%0.79SS**  trans-81.3172.9163.9-75.4-68000112.8
521P43.3Very low34.5Very low117 Ų117137.1 Ų137.176%0.7679%0.793SS**  -145.7135.7118.236.4-21.2000117.9
522D37.5Very low34.2Very low133 Ų133137.6 Ų137.671%0.71179%0.79SS**  trans45.6121.9143.7-76.9-47.4000123.3
523S37.7Very low34.4Very low127 Ų127139.6 Ų139.689%0.88879%0.789SS**  -151135.6126.9-81.30000112
524Q34.9Very low34.1Very low162 Ų162140.9 Ų140.976%0.75779%0.788SS**  trans-86.2168.7-175.9-61.3157.615.400109.9
525M35.7Very low34.3Very low158 Ų158138.1 Ų138.178%0.77879%0.786SS**  cis-16417120-139.2170.1166.300106.6
526E33.3Very low34Very low155 Ų155137.8 Ų137.872%0.72479%0.786SS**  cis-154.1-174.63.4-158.6-173.4-13600108
527T29.5Very low34.1Very low124 Ų124134.8 Ų134.876%0.76178%0.778SS**  trans-140.1153.7165.863.10000110.8
528P36.6Very low34.4Very low106 Ų106140.5 Ų140.569%0.68879%0.788SS**  -155.3142.811735.7-17.1000118.6
529K32.5Very low34.4Very low210 Ų210138.5 Ų138.591%0.91379%0.785SS**  trans59.4138.5141.2-66.8-178.3176.1178.10122.4
530A31.6Very low34.3Very low93 Ų93135.9 Ų135.977%0.76978%0.778SS**  trans-80.6178.1171.100000113.5
531P35.2Very low34.3Very low130 Ų130135.6 Ų135.684%0.84478%0.777SS**  -134.4168.395.939.9-31.6000115.1
532S28.5Very low34.1Very low107 Ų107135.9 Ų135.975%0.74878%0.778SS**  trans-76.8145.6-178.752.70000114.6
533H34.9Very low34.3Very low186 Ų186136.1 Ų136.186%0.86178%0.78SS**  trans-144.2134.1140.8-129.4-64.5000113
534T28.8Very low34.6Very low120 Ų120138.4 Ų138.474%0.73678%0.777SS**  trans-64139.2-173.650.50000116.3
535A34.2Very low34.8Very low92 Ų92139.2 Ų139.276%0.7678%0.778SS**  trans-166.792.5138.800000110.9
536N29.6Very low35.5Very low157 Ų157137.7 Ų137.784%0.8477%0.773SS**  trans-83.2129.6171.7-72.56.4000110.1
537I35.5Very low36.2Very low141 Ų141132.7 Ų132.772%0.72376%0.758SS**  trans-138143.2162.9-56.8-178.9000105.6
538F37Very low36.8Very low203 Ų203134.3 Ų134.389%0.8976%0.755SS**SBendtrans74.858.8-169.7-51.4-72.4000115.7
539A31.7Very low37.5Very low87 Ų87132.4 Ų132.472%0.71974%0.744SS**  trans-153.578.9162.100000110.6
540S34.7Very low38.4Very low97 Ų97125.6 Ų125.668%0.67873%0.727SS**  trans177137.1-177.950.50000108.9
541D37.6Very low38.9Very low142 Ų142128.7 Ų128.776%0.75972%0.723SS**  cis-148.4154.3-8.5-73.9-46.1000108.8
542P38.3Very low39.1Very low123 Ų123131 Ų13180%0.79972%0.72SS**SBendtrans-96.523.9-17339-36.9000115.9
543D41.5Very low39.8Very low138 Ų138133.5 Ų133.574%0.73873%0.725SS**  trans-129.53.1-166.6-87.9-59.3000116.7
544E44.4Very low39.8Very low176 Ų176128.6 Ų128.682%0.82271%0.712SS**SBendtrans-87.8-4.3-166.8-141.7-178.9-179.100116.6
545F40.2Very low40.2Very low179 Ų179127.9 Ų127.979%0.78571%0.707SS**SBendtrans-83.6-42.4-177.3-161.6-112000113.8A547 F548F545-A547 PolarHBondContact O-N 3.04Å; F545-F548 WeakPolarHBondContact O-CB 3.45Å; F545-F548 PolarHBondContact O-N 2.89Å; F545-F548 VanDerWaalsContact O-N 3.1Å
546D50.1Low40.3Very low126 Ų126133.2 Ų133.267%0.67471%0.713SS**Hα-helixtrans-67.1-21.5178.3-90.7-26.5000113.3F548 S549 A550D546-F548 PolarHBondContact O-N 2.82Å; D546-F548 VanDerWaalsContact O-N 3.17Å; D546-S549 PolarHBondContact O-N 3.48Å; D546-A550 PolarHBondContact O-N 3.43Å
547A48.1Very low40.4Very low50 Ų50135.4 Ų135.441%0.41372%0.715SS.*Hα-helixtrans-64-14.8172.900000113.8F545F545-A547 PolarHBondContact O-N 3.04Å
548F41.9Very low40.5Very low157 Ų157135.6 Ų135.669%0.68972%0.718SS**Hα-helixtrans-84.7-46171.9-164.3-102.1000111.5F545 D546 A550 K551F545-F548 WeakPolarHBondContact O-CB 3.45Å; F545-F548 PolarHBondContact O-N 2.89Å; F545-F548 VanDerWaalsContact O-N 3.1Å; D546-F548 PolarHBondContact O-N 2.82Å; D546-F548 VanDerWaalsContact O-N 3.17Å; F548-A550 PolarHBondContact O-N 3.22Å; F548-K551 PolarHBondContact O-N 3.01Å
549S51.7Low40.5Very low67 Ų67131.4 Ų131.447%0.46971%0.705SS.*Hα-helixtrans-56.9-47.7174.9-56.10000111.8D546 K551 F552D546-S549 PolarHBondContact O-N 3.48Å; S549-K551 PolarHBondContact O-N 2.84Å; S549-F552 PolarHBondContact O-N 2.87Å
550A51.4Low40.5Very low67 Ų67133.9 Ų133.955%0.55471%0.705SS**THydrogen-bonded Turntrans-64.1-9.5-178.900000115.2D546 F548 S554D546-A550 PolarHBondContact O-N 3.43Å; F548-A550 PolarHBondContact O-N 3.22Å; A550-S554 PolarHBondContact O-OG 3.01Å
551K42.7Very low40.3Very low157 Ų157134.4 Ų134.468%0.68371%0.708SS**THydrogen-bonded Turntrans-96.4-7.4-177.7-96.5173-177.5156.70115.5F548 S549F548-K551 PolarHBondContact O-N 3.01Å; S549-K551 PolarHBondContact O-N 2.84Å
552F39.2Very low40Very low178 Ų178135.6 Ų135.678%0.78171%0.713SS**THydrogen-bonded Turntrans-98.3-31178.1-115.3-92.2000114.2S549S549-F552 PolarHBondContact O-N 2.87Å
553D41.5Very low39.7Very low160 Ų160137 Ų13786%0.85671%0.71SS**SBendtrans-80-14.5177.4-80.1-53.8000114.4V555D553-V555 PolarHBondContact O-N 3.49Å
554S35.4Very low39.2Very low84 Ų84137.6 Ų137.659%0.58771%0.714SS**SBendtrans-89.123.4-168.253.40000116A550A550-S554 PolarHBondContact O-OG 3.01Å
555V37.2Very low38.5Very low105 Ų105132.8 Ų132.864%0.63671%0.711SS**SBendtrans-139.2108.2-175.3-166.20000114.3D553D553-V555 PolarHBondContact O-N 3.49Å
556K37.2Very low37.9Very low203 Ų203134.8 Ų134.888%0.88372%0.72SS**  trans100.371.5170.1-61.6159.4-175.2170.30118.5
557K30.4Very low36.9Very low203 Ų203132.1 Ų132.188%0.88372%0.722SS**  trans-150100.9138.3-161.8174.1-175.8-179.10111.7
558D38Very low36Very low146 Ų146133.7 Ų133.778%0.78174%0.743SS**  trans179.4144.5172.9-97.7-15.3000106.7
559N37.5Very low35.5Very low115 Ų115132.7 Ų132.762%0.61576%0.756SS**  cis-155.5142.80.1-116.6-47.2000112.2
560I31.9Very low34.6Very low139 Ų139133.1 Ų133.171%0.71377%0.771SS**  trans61.2108.4143-63.4160.4000122.7
561S30.5Very low33.7Very low107 Ų107134.8 Ų134.875%0.74879%0.785SS**  56162.7125.4-51.40000126.5
562I32.1Very low33.3Very low167 Ų167135.4 Ų135.486%0.85679%0.793SS**  trans90.2134.9167.9-61.6164.1000115.7
563M31.7Very low32.9Very low152 Ų152133 Ų13375%0.74979%0.794SS**  cis-170.9147.1-24.4-169.6170.791.300109.7
564D29.5Very low32.7Very low152 Ų152130.3 Ų130.381%0.81379%0.785SS**  trans47.6141.7161.1-77.3-38.2000123.6
565G30.7Very low32.5Very low75 Ų75132.7 Ų132.777%0.77380%0.796SS**  trans150.6109.8147.300000120.1
566F27.7Very low32.5Very low221 Ų221131.5 Ų131.597%0.96981%0.805SS**  trans-17152.1153.5-96.3-120.6000119.4
567G28.2Very low32.4Very low69 Ų69125 Ų12571%0.71180%0.796SS**  cis147.5115.8-600000115.6
568G30.3Very low32.9Very low84 Ų84122.8 Ų122.887%0.86679%0.794SS**  trans77.6172.6169.300000117.4
569S31.6Very low33.1Very low136 Ų136119.9 Ų119.995%0.95179%0.79SS**  cis-173.9144.5-21-175.30000110.6
570G32.7Very low33Very low75 Ų75126 Ų12677%0.77381%0.805SS**  trans157.7150.717100000116.1
571A31.3Very low33.1Very low103 Ų103122.8 Ų122.885%0.85181%0.805SS**  trans-150.3151.5-17200000115.6
572I35.1Very low33.3Very low169 Ų169120.5 Ų120.587%0.86780%0.798SS**  trans-149.1157.4174.6-47.2179.1000110.4
573T31.7Very low33.5Very low129 Ų129117.7 Ų117.779%0.79179%0.793SS**  trans-138.4-168.9-176.459.10000110.2
574P36.1Very low33.7Very low103 Ų103113.3 Ų113.367%0.66978%0.782SS**  cis-146.6-155.67.242.4-18.2000116.9
575T32.1Very low33.8Very low133 Ų133115.7 Ų115.782%0.81679%0.785SS**  trans77.1115.6150.344.20000124.1
576G35.4Very low34.1Very low80 Ų80115.6 Ų115.683%0.82578%0.784SS**  trans76.2143.1144.900000118.9
577G35.9Very low34.3Very low67 Ų67110.1 Ų110.169%0.69177%0.774SS**  cis152.5161.3-2.700000112.1
578D41.2Very low34.7Very low157 Ų157113.4 Ų113.484%0.8478%0.78SS**  cis-165.2154.5-11.3-85.1-50.6000111.3
579A41.5Very low34.6Very low84 Ų84115.1 Ų115.169%0.69477%0.774SS**  trans70.1152.8162.100000119.9
580W35Very low34.6Very low245 Ų245115.8 Ų115.893%0.92877%0.765SS**  cis-133.9171.916.5-63.362.8000111
581G35.8Very low34.4Very low70 Ų70117.5 Ų117.572%0.72277%0.765SS**  cis109.9119.80.900000113.8
582G34.6Very low34.4Very low59 Ų59116.5 Ų116.561%0.60876%0.757SS**  cis129.4132.2-5.700000113.3
583S35.6Very low34.1Very low108 Ų108115.9 Ų115.976%0.75576%0.755SS**  cis-147.2-103.5-4.4-178.70000111.8
584A36.2Very low34.2Very low61 Ų61114.6 Ų114.650%0.50476%0.758SS.*  cis-160.1-179.75.100000112I221I221-A584 HydrophobicContact CB-CB 4.47Å; I221-A584 HydrophobicContact CD1-CB 3.66Å; I221-A584 HydrophobicContact CG1-CB 3.85Å; I221-A584 HydrophobicContact CG2-CB 3.79Å
585F32Very low33.8Very low201 Ų201115.6 Ų115.688%0.88277%0.766SS**  trans-136.3161.8-177.4-176.4-89.4000111
586G35Very low34Very low73 Ų73112 Ų11275%0.75376%0.755SS**  trans177.4130.7170.500000115.9
587S33.3Very low33.8Very low107 Ų107115.2 Ų115.275%0.74875%0.753SS**  trans-121.5141176.7175.20000111.1
588T35.9Very low33.8Very low137 Ų137118 Ų11884%0.8476%0.758SS**  trans-146.2157.9172.5-440000110
589T28Very low33.3Very low121 Ų121117.6 Ų117.674%0.74276%0.755SS**  trans-97.7-179.2-164.448.30000115.3
590I31.4Very low33Very low149 Ų149119.4 Ų119.476%0.76476%0.763SS**  trans11094.5158.5-56.4169.4000116.5
591S28.9Very low32.9Very low112 Ų112112.5 Ų112.578%0.78376%0.758SS**  53.5142128.2-49.80000124.5
592A31.1Very low32.8Very low81 Ų81116.8 Ų116.867%0.66976%0.764SS**  trans103.795.9139.100000120.4
593N29.7Very low32.8Very low157 Ų157120.6 Ų120.684%0.8477%0.771SS**  trans83.6130.3130.5-57.60.3000121.9
594A33.6Very low32.7Very low102 Ų102119.1 Ų119.184%0.84377%0.772SS**  trans76148.5146.300000119.9
595C28.1Very low32.6Very low123 Ų123123.9 Ų123.983%0.83178%0.782SS**  cis-173159.2-22.9-172.60000108.7
596G35.2Very low32.8Very low58 Ų58117.4 Ų117.460%0.59877%0.772SS**  trans96112.8-175.900000110.9
597D32.5Very low32.9Very low147 Ų147119.6 Ų119.679%0.78677%0.766SS**  cis61.9128.136.8-41.2-56.5000111.3
598T35.4Very low33.1Very low127 Ų127120.4 Ų120.478%0.77976%0.762SS**  cis-146.5167.932.948.80000114.8
599N30.6Very low33.4Very low147 Ų147119 Ų11979%0.78675%0.75SS**  trans-10.1149.5154.1-56.710.4000117.8
600S35.4Very low33.8Very low122 Ų122120 Ų12085%0.85375%0.751SS**  cis-148.1174.643.1-62.10000114.8
601A32.5Very low34.2Very low100 Ų100120.8 Ų120.883%0.82676%0.756SS**  trans-118.1150.8173.800000111.3
602D34.5Very low34.5Very low160 Ų160123.6 Ų123.686%0.85676%0.755SS**  trans-157.3174156.2-148.5-13.7000110.7
603D33.5Very low34.7Very low140 Ų140129.5 Ų129.575%0.74976%0.761SS**  trans-72.8163.9-162.2-85.9-28.4000118.3
604G35.1Very low34.9Very low76 Ų76126.2 Ų126.278%0.78476%0.756SS**  trans-179.859.4174.100000117.2
605F32.6Very low35.1Very low162 Ų162130.1 Ų130.171%0.71176%0.759SS**  trans-67.3137-176.6-78.4-69000115.8F1083F605-F1083 HydrophobicContact CB-CE2 4.37Å; F605-F1083 HydrophobicContact CB-CZ 4.32Å; F605-F1083 AromaticContact CD1-CE2 3.4Å; F605-F1083 HydrophobicContact CD1-CE2 3.4Å; F605-F1083 AromaticContact CD1-CZ 3.63Å; F605-F1083 HydrophobicContact CD1-CZ 3.63Å; F605-F1083 HydrophobicContact CD2-CZ 4.03Å; F605-F1083 AromaticContact CE1-CE2 3.65Å; F605-F1083 HydrophobicContact CE1-CE2 3.65Å; F605-F1083 AromaticContact CE1-CZ 3.76Å; F605-F1083 HydrophobicContact CE1-CZ 3.76Å; F605-F1083 HydrophobicContact CE2-CZ 4.17Å; F605-F1083 AromaticContact CG-CE2 3.91Å; F605-F1083 HydrophobicContact CG-CE2 3.91Å; F605-F1083 AromaticContact CG-CZ 3.74Å; F605-F1083 HydrophobicContact CG-CZ 3.74Å; F605-F1083 HydrophobicContact CZ-CE2 4.37Å; F605-F1083 HydrophobicContact CZ-CZ 4.03Å
606G36Very low35.3Very low65 Ų65133.3 Ų133.367%0.6776%0.761SS**  trans-150.543.1-167.900000119.8
607N38.7Very low35Very low119 Ų119135 Ų13564%0.63677%0.77SS**  trans56.474.1154.2-165.977.8000119.6D609N607-D609 PolarHBondContact O-N 2.93Å
608D37.6Very low35.2Very low124 Ų124134.1 Ų134.166%0.66377%0.772SS**  trans-77.591.4176.1-51-70.2000115.5K1081D608-K1081 PolarHBondContact O-NZ 3.26Å
609D40.3Very low35.3Very low107 Ų107132.9 Ų132.957%0.57278%0.775SS**  trans-152.927.7160.7-105.8-41000114.3N607 K1081N607-D609 PolarHBondContact O-N 2.93Å; D609-K1081 IonicContact OD1-NZ 3.94Å; D609-K1081 PolarHBondContact OD1-NZ 2.83Å; D609-K1081 IonicContact OD2-NZ 2.89Å; D609-K1081 PolarHBondContact OD2-NZ 3.13Å
610D37.3Very low35.3Very low143 Ų143138.1 Ų138.177%0.76578%0.784SS**  trans-123.134.8-175.5-96.1-52.5000115.1F612D610-F612 VanDerWaalsContact C-N 3.3Å; D610-F612 PolarHBondContact O-N 2.81Å
611D38.7Very low35.4Very low165 Ų165136.7 Ų136.788%0.88278%0.78SS**THydrogen-bonded Turntrans-68.972.2177.5-84.6-43.6000114
612F36.5Very low35.4Very low171 Ų171139.4 Ų139.475%0.7578%0.78SS**THydrogen-bonded Turntrans-144.2-15.8164.7-159.8-113.8000116.4D610D610-F612 VanDerWaalsContact C-N 3.3Å; D610-F612 PolarHBondContact O-N 2.81Å
613Y34.8Very low35.3Very low204 Ų204137.1 Ų137.180%0.878%0.777SS**SBendtrans-119.751.9-172.2-78.1-75.5000115
614A34.8Very low35.4Very low88 Ų88137.2 Ų137.273%0.72778%0.782SS**  trans-136.740.8-177.700000115.9
615M36.6Very low35.3Very low184 Ų184142.3 Ų142.391%0.90679%0.785SS**  trans-129.476.1171-81.3-65.9-79.500113.8
616Q32.1Very low35.4Very low190 Ų190139.2 Ų139.289%0.88878%0.784SS**  trans20.1110.7146.2-156.4166.227.400118.9
617A29Very low35.2Very low95 Ų95141.7 Ų141.779%0.78579%0.786SS**PPolyproline II helixtrans-78.8137.3-179.300000114.7
618P38.1Very low35Very low127 Ų127142.7 Ų142.783%0.82579%0.791SS**PPolyproline II helixtrans-78.3156.4158.6-9.427.1000112
619A36Very low34.9Very low102 Ų102146.3 Ų146.384%0.84380%0.801SS**PPolyproline II helixtrans-74.9155.4-170.200000115.6
620R31.4Very low34.7Very low256 Ų256147.9 Ų147.997%0.96681%0.81SS**PPolyproline II helixtrans-62.7144.9174.4-75.8177.9165.1150-4.9113.1
621A36.8Very low34.6Very low93 Ų93150.6 Ų150.677%0.76982%0.815SS**  trans-150.4111.2153.100000111.5
622D33.8Very low34.3Very low156 Ų156146.9 Ų146.983%0.83480%0.802SS**  trans35.7103.9151.9-53.5-23.4000122.2
623S32.2Very low34.1Very low113 Ų113143.8 Ų143.879%0.7980%0.797SS**  14.7123.2129.3-171.40000120.3
624V35.8Very low33.9Very low142 Ų142139.2 Ų139.286%0.86179%0.79SS**  -160.3148.1129.1-98.10000110.9
625E32.5Very low34Very low182 Ų182141.8 Ų141.885%0.8579%0.79SS**  trans-77.8129.1177.7-55.6161.7110.300112.9
626S34.3Very low33.7Very low97 Ų97143.2 Ų143.268%0.67879%0.785SS**  trans-155.2101.4153.266.30000114.2
627V31.1Very low33.8Very low117 Ų117140 Ų14071%0.70978%0.781SS**  trans8.6125.3136.6-1610000116.9
628D35.1Very low34Very low141 Ų141145 Ų14575%0.75479%0.79SS**  trans17.7133.7154.4-49.9-60.2000120.8
629K35.9Very low33.6Very low200 Ų200143.5 Ų143.587%0.8779%0.789SS**  trans-146.2104.2163.4-118.4179.1-178.1177.30111.1F631K629-F631 PolarHBondContact O-N 3Å
630D35.7Very low33.5Very low140 Ų140147.9 Ų147.975%0.74979%0.792SS**  trans-60.3130.2179.3-51.1-84000111.9S632D630-S632 PolarHBondContact O-N 3.45Å
631F36Very low33.5Very low199 Ų199144.2 Ų144.287%0.87379%0.786SS**  trans-8757.6164.1-101.2-87.5000110.6K629 V633K629-F631 PolarHBondContact O-N 3Å; F631-V633 VanDerWaalsContact C-N 3.33Å; F631-V633 HydrophobicContact CD1-CG2 4.33Å; F631-V633 PolarHBondContact O-N 3.02Å
632S30.7Very low33.4Very low87 Ų87145.7 Ų145.761%0.60879%0.785SS**  trans-71.987.817052.50000109.7D630 V634D630-S632 PolarHBondContact O-N 3.45Å; S632-V634 PolarHBondContact O-N 2.7Å
633V33.4Very low33.4Very low107 Ų107144.1 Ų144.165%0.64879%0.787SS**  trans-74.865.7178.1-176.50000110.1F631 I635F631-V633 VanDerWaalsContact C-N 3.33Å; F631-V633 HydrophobicContact CD1-CG2 4.33Å; F631-V633 PolarHBondContact O-N 3.02Å; V633-I635 VanDerWaalsContact C-N 3.3Å; V633-I635 HydrophobicContact CG1-CD1 4.18Å; V633-I635 HydrophobicContact CG1-CG1 3.93Å; V633-I635 PolarHBondContact O-N 3.05Å
634V29.4Very low33.5Very low107 Ų107142.5 Ų142.565%0.64879%0.788SS**  trans-77.181176.1-174.40000109S632 R636S632-V634 PolarHBondContact O-N 2.7Å; V634-R636 VanDerWaalsContact C-N 3.3Å; V634-R636 HydrophobicContact CG1-CG 4.08Å; V634-R636 PolarHBondContact O-N 2.87Å
635I37.2Very low33.4Very low143 Ų143143.1 Ų143.173%0.73379%0.792SS**  trans-69.991.1168.8-57.6176.9000107.7V633 P637V633-I635 VanDerWaalsContact C-N 3.3Å; V633-I635 HydrophobicContact CG1-CD1 4.18Å; V633-I635 HydrophobicContact CG1-CG1 3.93Å; V633-I635 PolarHBondContact O-N 3.05Å; I635-P637 WeakPolarHBondContact O-CD 3.26Å
636R30.7Very low33.5Very low213 Ų213138.3 Ų138.380%0.80478%0.783SS**  trans-65.7121.6169.6-58.3-177.5-170.7-176.31.6108.2V634 M638V634-R636 VanDerWaalsContact C-N 3.3Å; V634-R636 HydrophobicContact CG1-CG 4.08Å; V634-R636 PolarHBondContact O-N 2.87Å; R636-M638 PolarHBondContact O-N 2.84Å; R636-M638 VanDerWaalsContact O-N 3.08Å
637P35.2Very low33.5Very low124 Ų124140 Ų14081%0.80579%0.791SS**  trans-69.7107.817128.4-31.9000108.6I635 A639I635-P637 WeakPolarHBondContact O-CD 3.26Å; P637-A639 PolarHBondContact O-N 3.2Å
638M32Very low33.7Very low198 Ų198143.2 Ų143.298%0.97580%0.798SS**  trans-71.9119.9164.6-126.4179177.400107.5R636R636-M638 PolarHBondContact O-N 2.84Å; R636-M638 VanDerWaalsContact O-N 3.08Å
639A30.7Very low33.7Very low96 Ų96144.4 Ų144.479%0.79380%0.804SS**  trans-85.9116.9-177.800000110.9P637P637-A639 PolarHBondContact O-N 3.2Å
640E32.6Very low34Very low195 Ų195139.4 Ų139.491%0.91180%0.8SS**  trans-153.7167.5152.1-117.8169.3-164.600109.3
641E31.8Very low34.3Very low178 Ų178137.8 Ų137.883%0.83280%0.797SS**  trans-96.6166.2-140.4-56-174.4111.900118.1
642T35.6Very low34.7Very low125 Ų125133.9 Ų133.977%0.76779%0.792SS**  trans80.593.5156.753.70000122
643S32.8Very low35.2Very low123 Ų123135.4 Ų135.486%0.8680%0.8SS**  66.7101.4115.8-55.60000121.6
644G35.5Very low35.6Very low79 Ų79135.7 Ų135.781%0.81480%0.803SS**  trans-157.9127.4155.400000110.7
645V32.6Very low36.3Very low155 Ų155136.7 Ų136.794%0.93981%0.812SS**  trans-97.2133.5-165.4179.90000113.1
646A35.7Very low36.2Very low80 Ų80135 Ų13566%0.66182%0.819SS**  trans-138.9148.3163.800000109.4
647P33.9Very low36.3Very low132 Ų132136.1 Ų136.186%0.85782%0.824SS**PPolyproline II helixtrans-74.6130.3-171.929.1-34.6000112.5
648Q34.4Very low36.3Very low185 Ų185134 Ų13486%0.86483%0.825SS**PPolyproline II helixtrans-91.3143.9163.1-69.4-174.8-13.400109.7
649L36.2Very low36.3Very low167 Ų167130 Ų13087%0.87481%0.811SS**PPolyproline II helixtrans-68.1143.1158.5-86.470000108.3
650A42Very low36.5Very low94 Ų94133.7 Ų133.778%0.77782%0.817SS**PPolyproline II helixtrans-65.6142.5178.700000111.5
651P41.9Very low36.4Very low106 Ų106133.2 Ų133.269%0.68882%0.815SS**PPolyproline II helixtrans-67.8155.1164.831.5-34.6000110.3
652P43.7Very low36.5Very low117 Ų117128.9 Ų128.976%0.7681%0.81SS**PPolyproline II helixtrans-61.7147174.727.2-34.7000111.2
653P42.6Very low36.6Very low120 Ų120131.7 Ų131.778%0.77981%0.814SS**PPolyproline II helixtrans-70.3139-175.528.5-34.7000111.7
654P42Very low36.6Very low112 Ų112131.5 Ų131.573%0.72781%0.808SS**PPolyproline II helixtrans-70.9150171.430.9-34.7000111A656P654-A656 PolarHBondContact O-N 3.22Å
655P43Very low36.5Very low129 Ų129133.5 Ų133.584%0.83880%0.804SS**PPolyproline II helixtrans-62.4126.7179.424.9-33.7000111.5R657P655-R657 PolarHBondContact O-N 2.88Å; P655-R657 VanDerWaalsContact O-N 3.14Å
656A35.8Very low36.6Very low106 Ų106130.8 Ų130.888%0.87679%0.792SS**  trans-73.9104-171.600000112.5P654 G658P654-A656 PolarHBondContact O-N 3.22Å; A656-G658 PolarHBondContact O-N 2.97Å; A656-G658 VanDerWaalsContact O-N 3.09Å
657R31.9Very low36.8Very low238 Ų238134.7 Ų134.790%0.89880%0.801SS**  trans-7199.1166.6-77.1-175.5171.5172.3-1.4110.3P655 V659P655-R657 PolarHBondContact O-N 2.88Å; P655-R657 VanDerWaalsContact O-N 3.14Å; R657-V659 PolarHBondContact O-N 3.19Å
658G36.3Very low36.9Very low80 Ų80134.4 Ų134.483%0.82580%0.799SS**  trans-65.2110.8173.900000112.1A656A656-G658 PolarHBondContact O-N 2.97Å; A656-G658 VanDerWaalsContact O-N 3.09Å
659V31Very low36.8Very low113 Ų113128.6 Ų128.669%0.68579%0.789SS**  trans-99.3106.7176.2178.40000109.8R657 Q661R657-V659 PolarHBondContact O-N 3.19Å; V659-Q661 HydrophobicContact CG1-CG 4.14Å
660N35.3Very low36.8Very low174 Ų174128.2 Ų128.293%0.9379%0.787SS**  trans-100.2109.2165.7-87.8-29000109.7
661Q31.2Very low36.3Very low184 Ų184129.4 Ų129.486%0.8679%0.785SS**  trans-113.8122165.6-72.9-170.71400110.3V659V659-Q661 HydrophobicContact CG1-CG 4.14Å
662A33.9Very low36Very low88 Ų88130.2 Ų130.273%0.72779%0.788SS**  trans-155.1122.8156.500000110.3
663Q37.6Very low35.8Very low183 Ų183132 Ų13286%0.85579%0.791SS**  trans49.1131.3142.2-60.3177.819.800120.5
664T32.6Very low35.5Very low120 Ų120131.7 Ų131.774%0.73679%0.789SS**  cis-179.6160.8-24.1120000107.2
665T33.5Very low34.9Very low120 Ų120135.1 Ų135.174%0.73679%0.793SS**  trans86.490.7156.5-44.50000119.5
666S34.9Very low34.6Very low98 Ų98137.1 Ų137.169%0.68579%0.791SS**  56.1143.3119.8103.80000120.6
667L39.1Very low34.7Very low162 Ų162139.6 Ų139.685%0.84879%0.789SS**  cis-146166.219.8-91.6139.8000111.9
668P35.6Very low35.1Very low126 Ų126133.8 Ų133.882%0.81878%0.78SS**  trans-113.7172.1-176.541.7-32.9000115.6
669G33.3Very low35Very low63 Ų63135.8 Ų135.865%0.64978%0.781SS**  trans167.4127.3157.100000118.4
670L36.3Very low35.2Very low160 Ų160134.2 Ų134.284%0.83879%0.788SS**  trans66120.4161.5-55.3122.9000116.7
671T31.9Very low35.1Very low118 Ų118135.8 Ų135.872%0.72479%0.787SS**  60.3129.857.974.50000112.9
672V35.4Very low35.5Very low123 Ų123132.3 Ų132.375%0.74578%0.781SS**  cis-154.1151.440.6171.60000111.3
673N38.3Very low35.8Very low154 Ų154132.5 Ų132.582%0.82478%0.782SS**  trans-102.5148.2163.1-73.45.9000110.4
674P36.3Very low35.8Very low115 Ų115130 Ų13075%0.74778%0.782SS**  -149.3178.610039.6-22.6000116.5
675F30Very low35.9Very low183 Ų183128 Ų12880%0.80379%0.785SS**  trans-51.1166.7163.8-48.5-98000113
676E36.1Very low36.1Very low171 Ų171130.5 Ų130.580%0.79979%0.793SS**  cis-124.1173.511-99.5113-177.300110.1
677D39Very low36.2Very low158 Ų158131.5 Ų131.585%0.84580%0.797SS**  -174.5168.571.5-132.7-27.8000116.1
678V39.2Very low36Very low116 Ų116129.8 Ų129.870%0.70380%0.795SS**  trans-86149.7-153.3166.10000118.9
679S34.1Very low35.8Very low122 Ų122129.6 Ų129.685%0.85379%0.792SS**  trans81.1141.5150.669.80000124.1
680G34.8Very low35.8Very low80 Ų80134.3 Ų134.383%0.82580%0.803SS**  trans148.5105.6161.700000116.8
681F34.4Very low35.5Very low208 Ų208130 Ų13091%0.91280%0.796SS**  trans-115.3172.8171.8-97.1-85000109.5
682P38.4Very low35.5Very low111 Ų111131 Ų13172%0.72180%0.802SS**  cis-136.7-172.9-4.738.5-18.8000116.4
683A41.3Very low35.4Very low92 Ų92129.8 Ų129.876%0.7681%0.806SS**  trans81.1167.3150.600000118.2
684P37.5Very low35.4Very low131 Ų131130.1 Ų130.185%0.85181%0.806SS**  -126.7153.5-98.132.8-14.3000115.6
685G35.4Very low35.2Very low77 Ų77133.6 Ų133.679%0.79481%0.809SS**  trans-158.4154.3177.500000113.9
686L37.5Very low35.4Very low173 Ų173136.5 Ų136.591%0.90682%0.815SS**PPolyproline II helixtrans-79.4161.2-176.8-83.6110.8000113.5
687P36.2Very low35.2Very low118 Ų118134.6 Ų134.677%0.76682%0.815SS**PPolyproline II helixtrans-92.2152.1-156.535.2-36.8000115.4
688P35.9Very low34.8Very low126 Ų126134.1 Ų134.182%0.81881%0.812SS**PPolyproline II helixtrans-103.5159.7151.436.3-28.5000112.4
689T31.2Very low34.7Very low123 Ų123132.9 Ų132.976%0.75581%0.809SS**PPolyproline II helixtrans-78.8170178.946.30000114.1
690D31.9Very low34.6Very low162 Ų162136.1 Ų136.187%0.86681%0.81SS**  trans67.9114.2165.8-56.1-42000118.5
691G30.8Very low34.8Very low68 Ų68140.2 Ų140.270%0.70181%0.813SS**  trans175.880.3175.400000116.6
692T32.1Very low34.9Very low139 Ų139136 Ų13685%0.85381%0.805SS**  trans43.482.2153.855.20000118.5I694T692-I694 PolarHBondContact O-N 2.81Å
693A32.9Very low34.8Very low99 Ų99135.8 Ų135.882%0.81880%0.804SS**  trans-69.9120.1163.100000111.2K695A693-K695 PolarHBondContact O-N 2.78Å; A693-K695 VanDerWaalsContact O-N 3.08Å
694I38.8Very low35.3Very low161 Ų161140.8 Ų140.883%0.82681%0.811SS**  trans-73.7100178.2-59.8173.2000109.3T692 R696T692-I694 PolarHBondContact O-N 2.81Å; I694-R696 PolarHBondContact O-N 3.31Å; I694-R696 VanDerWaalsContact O-N 3.09Å
695K32.5Very low36.2Very low187 Ų187138.1 Ų138.181%0.81379%0.793SS**  trans-65.8106.4171.4-76.4-170.9174.1-174.10110.3A693 T697A693-K695 PolarHBondContact O-N 2.78Å; A693-K695 VanDerWaalsContact O-N 3.08Å; K695-T697 PolarHBondContact O-N 2.95Å
696R33.3Very low37.4Very low244 Ų244138.2 Ų138.292%0.92178%0.779SS**  trans-71.598.6153.6-83.6-172.4168120-2.6108I694 D698I694-R696 PolarHBondContact O-N 3.31Å; I694-R696 VanDerWaalsContact O-N 3.09Å; R696-D698 PolarHBondContact O-N 2.92Å
697T33Very low38.8Very low131 Ų131131.9 Ų131.980%0.80475%0.746SS**  trans-73.9113.2163.340.70000109.1K695K695-T697 PolarHBondContact O-N 2.95Å
698D30.2Very low40.5Very low149 Ų149128.1 Ų128.180%0.79772%0.717SS**  trans-144.4152.9160.8-150-22.7000109R696R696-D698 PolarHBondContact O-N 2.92Å
699S35.6Very low42.4Very low90 Ų90123.8 Ų123.863%0.62969%0.687SS**  trans50.866.9-177.452.60000116.7
700Q32.8Very low44.3Very low189 Ų189123.4 Ų123.488%0.88368%0.676SS**  trans-77.4110.7142.8-72.3-175.2-72.500107.8
701D38.5Very low46.2Very low166 Ų166118.4 Ų118.489%0.88865%0.65SS**SBendtrans-169.93155.9-101.9-27.9000115.2
702T38Very low48.3Very low120 Ų120118.8 Ų118.874%0.73664%0.638SS**SBendtrans-135.6138.9165.6-40.50000108.2Q704T702-Q704 PolarHBondContact O-N 3.35Å
703P35.7Very low50.2Low107 Ų107117 Ų11770%0.69563%0.631SS**  trans-58.3139.8168.325.6-34.4000109.8T705P703-T705 PolarHBondContact O-N 2.89Å
704Q51.1Low52Low197 Ų197118 Ų11892%0.92162%0.619SS**  trans-71.483.7172.6-73.7-177.1-31.500109.3T702T702-Q704 PolarHBondContact O-N 3.35Å
705T56.3Low53.6Low75 Ų75116.1 Ų116.146%0.4662%0.617SS.*  trans-55131.2163.5-48.70000107.6P703 L707P703-T705 PolarHBondContact O-N 2.89Å; T705-L707 PolarHBondContact O-N 2.87Å
706P60.7Low55.7Low78 Ų78110 Ų11051%0.50659%0.593SS.*  trans-56.1142.4177.923.7-34000109.8Y708 P1019P706-Y708 VanDerWaalsContact C-N 3.34Å; P706-P1019 HydrophobicContact CG-CB 4.45Å; P706-P1019 WeakPolarHBondContact O-CG 3.28Å
707L68Low57.6Low40 Ų40102.2 Ų102.221%0.20957%0.567CS.*SBendtrans-71.9-31.7-172.8-174.864.6000112.6T705 E975 W976 I977 H1185T705-L707 PolarHBondContact O-N 2.87Å; L707-E975 HydrophobicContact CD1-CB 4.07Å; L707-E975 HydrophobicContact CD1-CG 4.02Å; L707-E975 HydrophobicContact CD2-CB 3.9Å; L707-E975 HydrophobicContact CD2-CG 4.46Å; L707-W976 VanDerWaalsContact CD2-O 3.25Å; L707-W976 WeakPolarHBondContact CD2-O 3.09Å; L707-I977 HydrophobicContact CD2-CG2 4.29Å; L707-H1185 HydrophobicContact CD1-CB 3.92Å
708Y71.9Confident59.4Low40 Ų40102.3 Ų102.316%0.15756%0.559CS.*SBendtrans-141.4164.3178.747.8-103.3000108.9P706 E710 R978 R1017P706-Y708 VanDerWaalsContact C-N 3.34Å; Y708-E710 VanDerWaalsContact CE2-CD 3.45Å; Y708-E710 HydrophobicContact CE2-CG 4.37Å; Y708-E710 VanDerWaalsContact CE2-OE1 3.24Å; Y708-E710 WeakPolarHBondContact CE2-OE1 3.34Å; Y708-E710 WeakPolarHBondContact CE2-OE2 3.34Å; Y708-E710 PolarHBondContact O-N 3.47Å; Y708-E710 PolarHBondContact OH-OE1 2.85Å; Y708-R978 HydrophobicContact CD1-CB 4.3Å; Y708-R978 HydrophobicContact CE1-CB 4.25Å; Y708-R978 VanDerWaalsContact CE2-CZ 3.46Å; Y708-R978 PolarHBondContact OH-NH2 2.96Å; Y708-R1017 CarbonylContact C-O 3.58Å; Y708-R1017 WeakPolarHBondContact CA-O 3.44Å; Y708-R1017 WeakPolarHBondContact CB-O 3.18Å
709D74.6Confident61.3Low34 Ų3496.7 Ų96.718%0.18253%0.527CS..  trans-70.4126.3169.7-158.2-23.6000110D711 R1017 K1020D709-D711 PolarHBondContact O-N 2.93Å; D709-D711 PolarHBondContact OD1-N 2.88Å; D709-D711 VanDerWaalsContact OD1-N 3.11Å; D709-R1017 HydrophobicContact CB-CB 3.94Å; D709-R1017 PolarHBondContact N-O 2.94Å; D709-K1020 WeakPolarHBondContact OD2-CE 3.43Å; D709-K1020 IonicContact OD2-NZ 2.72Å; D709-K1020 PolarHBondContact OD2-NZ 1.79Å
710E71.3Confident62.5Low115 Ų11593 Ų9354%0.53750%0.501SS..  trans-75.2-16.2177.7-71.7-69.5178.500112.2Y708 V712 R978Y708-E710 VanDerWaalsContact CE2-CD 3.45Å; Y708-E710 HydrophobicContact CE2-CG 4.37Å; Y708-E710 VanDerWaalsContact CE2-OE1 3.24Å; Y708-E710 WeakPolarHBondContact CE2-OE1 3.34Å; Y708-E710 WeakPolarHBondContact CE2-OE2 3.34Å; Y708-E710 PolarHBondContact O-N 3.47Å; Y708-E710 PolarHBondContact OH-OE1 2.85Å; E710-V712 PolarHBondContact O-N 2.87Å; E710-V712 VanDerWaalsContact O-N 3.09Å; E710-R978 IonicContact OE1-NH2 3.88Å; E710-R978 IonicContact OE2-CZ 2.77Å; E710-R978 IonicContact OE2-NH1 3.43Å; E710-R978 IonicContact OE2-NH2 3.77Å; E710-R978 PolarHBondContact OE2-NH2 2.92Å
711D73.1Confident63.8Low58 Ų5888.6 Ų88.631%0.3148%0.476SS..  trans-74.898.3177.5-175.815000112.2D709 S713 R1017D709-D711 PolarHBondContact O-N 2.93Å; D709-D711 PolarHBondContact OD1-N 2.88Å; D709-D711 VanDerWaalsContact OD1-N 3.11Å; D711-S713 WeakPolarHBondContact OD1-CB 3.4Å; D711-S713 PolarHBondContact OD1-N 3.4Å; D711-S713 PolarHBondContact OD1-OG 2.86Å; D711-S713 PolarHBondContact OD2-OG 3.01Å; D711-R1017 PolarHBondContact O-NH1 2.89Å
712V74.8Confident64.9Low76 Ų7682.9 Ų82.946%0.46145%0.445SS..  trans-89.4-2.4173.3-159.80000112.1E710 Q714 R978E710-V712 PolarHBondContact O-N 2.87Å; E710-V712 VanDerWaalsContact O-N 3.09Å; V712-Q714 VanDerWaalsContact C-N 3.31Å; V712-Q714 PolarHBondContact O-N 3.05Å; V712-R978 VanDerWaalsContact CG2-NH1 3.29Å
713S71.6Confident66.1Low100 Ų10082.2 Ų82.270%0.69943%0.434SS*.SBendtrans-66.7-30.9-172.7720000113.7D711D711-S713 WeakPolarHBondContact OD1-CB 3.4Å; D711-S713 PolarHBondContact OD1-N 3.4Å; D711-S713 PolarHBondContact OD1-OG 2.86Å; D711-S713 PolarHBondContact OD2-OG 3.01Å
714Q70.4Confident67.7Low121 Ų12180.2 Ų80.257%0.56541%0.413SS*.SBendtrans-82131.5173-60.6-171.4-0.100110.2V712 R1017V712-Q714 VanDerWaalsContact C-N 3.31Å; V712-Q714 PolarHBondContact O-N 3.05Å; Q714-R1017 PolarHBondContact O-NH1 3.35Å; Q714-R1017 PolarHBondContact O-NH2 2.84Å
715P72.7Confident68.6Low121 Ų12178.7 Ų78.779%0.78641%0.409SS*.PPolyproline II helixtrans-62.2148.8171.928.5-34.5000110E717P715-E717 PolarHBondContact O-N 3.39Å
716L75.3Confident69.6Low59 Ų5977 Ų7731%0.30941%0.406SS..PPolyproline II helixtrans-66.7130.6174.9-67.8172.1000109.7E718 E980 A981 R1015 R1017L716-E718 PolarHBondContact O-N 3.43Å; L716-E980 HydrophobicContact CD1-CB 3.79Å; L716-A981 HydrophobicContact CD1-CB 3.9Å; L716-R1015 HydrophobicContact CD1-CB 3.68Å; L716-R1015 HydrophobicContact CD1-CG 4.1Å; L716-R1017 HydrophobicContact CD2-CG 4.01Å
717E74.6Confident70.6Confident80 Ų8078 Ų7837%0.37441%0.413SS..PPolyproline II helixtrans-62.2137169.3-173.9173.5124.900109.9P715 R721 K929 I931 R1015P715-E717 PolarHBondContact O-N 3.39Å; E717-R721 WeakPolarHBondContact OE1-CD 3.28Å; E717-K929 WeakPolarHBondContact OE1-CE 3.5Å; E717-K929 IonicContact OE1-NZ 2.9Å; E717-K929 PolarHBondContact OE1-NZ 2.92Å; E717-K929 WeakPolarHBondContact OE2-CE 3.44Å; E717-K929 IonicContact OE2-NZ 3.27Å; E717-K929 PolarHBondContact OE2-NZ 2.93Å; E717-I931 HydrophobicContact CB-CG2 4.5Å; E717-R1015 PolarHBondContact O-NH2 2.75Å
718E70.7Confident71.5Confident134 Ų13476.8 Ų76.863%0.62641%0.41SS*.PPolyproline II helixtrans-60.7147.4-177.3-156.9173.3-152.700111.8L716 H723L716-E718 PolarHBondContact O-N 3.43Å; E718-H723 IonicContact OE1-CE1 3.46Å; E718-H723 IonicContact OE2-CE1 2.89Å; E718-H723 PolarHBondContact OE2-CE1 2.94Å; E718-H723 IonicContact OE2-ND1 3.54Å
719F69.2Low72.5Confident30 Ų3075.5 Ų75.513%0.13241%0.405CS..SBendtrans-149.3126.8-175.9-156.5-80000109.8R721 E916 I931 R933 R1015F719-R721 HydrophobicContact CD2-CG 4.44Å; F719-E916 WeakPolarHBondContact CE1-OE2 3.11Å; F719-E916 HydrophobicContact CZ-CB 4.36Å; F719-I931 HydrophobicContact CD2-CD1 3.9Å; F719-I931 HydrophobicContact CD2-CG1 4.44Å; F719-I931 HydrophobicContact CE2-CD1 3.93Å; F719-I931 HydrophobicContact CE2-CG1 4.24Å; F719-R933 HydrophobicContact CD1-CB 3.82Å; F719-R933 HydrophobicContact CD1-CG 4.3Å; F719-R933 HydrophobicContact CE1-CB 3.76Å; F719-R933 HydrophobicContact CE1-CG 4.45Å; F719-R933 VanDerWaalsContact CE1-NE 3.34Å; F719-R933 HydrophobicContact CG-CB 4.37Å; F719-R933 HydrophobicContact CZ-CB 4.25Å; F719-R1015 VanDerWaalsContact CB-CZ 3.46Å; F719-R1015 VanDerWaalsContact CD2-NH1 3.26Å
720P60.8Low73.4Confident12 Ų1281.2 Ų81.28%0.07843%0.431CS..SBendcis-74.4149.610.431.1-36.5000114.2L722 H723 V885 E889P720-L722 PolarHBondContact O-N 2.88Å; P720-H723 PolarHBondContact O-CE1 2.9Å; P720-V885 HydrophobicContact CB-CG1 3.51Å; P720-V885 HydrophobicContact CG-CG1 3.5Å; P720-V885 VanDerWaalsContact CG-CG1 3.5Å; P720-E889 WeakPolarHBondContact CD-OE1 3.11Å; P720-E889 HydrophobicContact CG-CG 3.83Å
721R61.2Low74.5Confident98 Ų9876 Ų7637%0.3741%0.406SS..SBendtrans-73.917.6178.8-56.5-166.2-62.51655114.4E717 F719 E920 I931E717-R721 WeakPolarHBondContact OE1-CD 3.28Å; F719-R721 HydrophobicContact CD2-CG 4.44Å; R721-E920 IonicContact CZ-OE1 3.19Å; R721-E920 IonicContact NH1-OE1 2.79Å; R721-E920 PolarHBondContact NH1-OE1 2.69Å; R721-E920 IonicContact NH1-OE2 3.29Å; R721-E920 IonicContact NH2-OE1 2.7Å; R721-E920 PolarHBondContact NH2-OE1 2.92Å; R721-I931 HydrophobicContact CG-CD1 4.18Å
722L61.8Low75.5Confident46 Ų4673.9 Ų73.924%0.24140%0.395CS..  trans-130.966.4-167.9-67.7179.4000110.2P720 Y724 K881 Q882 V885P720-L722 PolarHBondContact O-N 2.88Å; L722-Y724 PolarHBondContact O-N 2.88Å; L722-K881 HydrophobicContact CD1-CG 4.19Å; L722-Q882 HydrophobicContact CB-CG 4.25Å; L722-Q882 HydrophobicContact CD1-CG 4.09Å; L722-Q882 HydrophobicContact CD2-CG 4Å; L722-Q882 HydrophobicContact CG-CG 4.34Å; L722-V885 HydrophobicContact CD1-CG2 4.43Å
723H61.4Low76.5Confident106 Ų10670.4 Ų70.449%0.49137%0.374SS..  trans-76.2107.3169-65.5121.9000109.9E718 P720 I725E718-H723 IonicContact OE1-CE1 3.46Å; E718-H723 IonicContact OE2-CE1 2.89Å; E718-H723 PolarHBondContact OE2-CE1 2.94Å; E718-H723 IonicContact OE2-ND1 3.54Å; P720-H723 PolarHBondContact O-CE1 2.9Å; H723-I725 PolarHBondContact O-N 2.85Å
724Y69.8Low77.5Confident64 Ų6468 Ų6825%0.25135%0.349SS..  trans-77.3105.5175.3-178.2-101000110.4L722 G726 G728 W729L722-Y724 PolarHBondContact O-N 2.88Å; Y724-G726 VanDerWaalsContact CE1-C 3.48Å; Y724-G726 VanDerWaalsContact CE1-O 3.24Å; Y724-G726 WeakPolarHBondContact CE1-O 3.15Å; Y724-G726 VanDerWaalsContact OH-C 3.3Å; Y724-G726 WeakPolarHBondContact OH-CA 3.25Å; Y724-G728 WeakPolarHBondContact OH-CA 3.46Å; Y724-G728 PolarHBondContact OH-N 2.81Å; Y724-G728 PolarHBondContact OH-O 2.92Å; Y724-W729 AromaticContact CD1-CE2 3.92Å; Y724-W729 AromaticContact CD1-CH2 3.7Å; Y724-W729 HydrophobicContact CD1-CH2 3.7Å; Y724-W729 AromaticContact CD1-CZ2 3.44Å; Y724-W729 HydrophobicContact CD1-CZ2 3.44Å; Y724-W729 VanDerWaalsContact CD1-CZ2 3.44Å; Y724-W729 HydrophobicContact CD1-CZ3 4.4Å; Y724-W729 AromaticContact CD2-CE2 3.63Å; Y724-W729 AromaticContact CD2-CZ2 3.71Å; Y724-W729 HydrophobicContact CD2-CZ2 3.71Å; Y724-W729 AromaticContact CD2-NE1 3.38Å; Y724-W729 HydrophobicContact CE1-CD2 4.33Å; Y724-W729 HydrophobicContact CE1-CH2 4.14Å; Y724-W729 AromaticContact CE1-CZ2 3.94Å; Y724-W729 HydrophobicContact CE1-CZ2 3.94Å; Y724-W729 HydrophobicContact CE1-CZ3 4.42Å; Y724-W729 AromaticContact CE2-CD1 3.86Å; Y724-W729 HydrophobicContact CE2-CD2 4.34Å; Y724-W729 AromaticContact CE2-CE2 3.73Å; Y724-W729 HydrophobicContact CE2-CG 4.43Å; Y724-W729 HydrophobicContact CE2-CZ2 4.19Å; Y724-W729 AromaticContact CE2-NE1 3.38Å; Y724-W729 AromaticContact CG-CE2 3.73Å; Y724-W729 HydrophobicContact CG-CH2 4.03Å; Y724-W729 AromaticContact CG-CZ2 3.3Å; Y724-W729 HydrophobicContact CG-CZ2 3.3Å; Y724-W729 AromaticContact CG-NE1 3.97Å; Y724-W729 AromaticContact CZ-CE2 3.92Å; Y724-W729 AromaticContact CZ-NE1 3.98Å
725I69.6Low78.3Confident165 Ų16564.5 Ų64.585%0.84633%0.333SS*.  trans-109.981.9174.6-51.8176.2000107.3H723H723-I725 PolarHBondContact O-N 2.85Å
726G77.5Confident79Confident39 Ų3961.3 Ų61.340%0.40231%0.312SS..SBendtrans-161.7172.5-17600000114.4Y724 G728Y724-G726 VanDerWaalsContact CE1-C 3.48Å; Y724-G726 VanDerWaalsContact CE1-O 3.24Å; Y724-G726 WeakPolarHBondContact CE1-O 3.15Å; Y724-G726 VanDerWaalsContact OH-C 3.3Å; Y724-G726 WeakPolarHBondContact OH-CA 3.25Å; G726-G728 VanDerWaalsContact C-N 3.31Å; G726-G728 PolarHBondContact O-N 2.89Å
727P82.8Confident79.4Confident101 Ų10161.5 Ų61.566%0.65631%0.313SS*.SBendtrans-84.45.3-169.635.2-38.1000115R753P727-R753 PolarHBondContact O-NE 2.76Å; P727-R753 PolarHBondContact O-NH2 2.82Å
728G87.2Confident79.7Confident14 Ų1466 Ų6614%0.14433%0.331CS..  trans119.8155.3-171.700000112.5Y724 G726 V752Y724-G728 WeakPolarHBondContact OH-CA 3.46Å; Y724-G728 PolarHBondContact OH-N 2.81Å; Y724-G728 PolarHBondContact OH-O 2.92Å; G726-G728 VanDerWaalsContact C-N 3.31Å; G726-G728 PolarHBondContact O-N 2.89Å; G728-V752 CarbonylContact C-O 3.5Å; G728-V752 WeakPolarHBondContact CA-O 3.45Å
729W92.3Very high80.1Confident12 Ų1264 Ų645%0.04532%0.321CS..EExtended strand (participates in β ladder)trans-91.8131.7-177.6-58.1-92.2000111.6Y724 M731 V751 V752 L754 F883 C886Y724-W729 AromaticContact CD1-CE2 3.92Å; Y724-W729 AromaticContact CD1-CH2 3.7Å; Y724-W729 HydrophobicContact CD1-CH2 3.7Å; Y724-W729 AromaticContact CD1-CZ2 3.44Å; Y724-W729 HydrophobicContact CD1-CZ2 3.44Å; Y724-W729 VanDerWaalsContact CD1-CZ2 3.44Å; Y724-W729 HydrophobicContact CD1-CZ3 4.4Å; Y724-W729 AromaticContact CD2-CE2 3.63Å; Y724-W729 AromaticContact CD2-CZ2 3.71Å; Y724-W729 HydrophobicContact CD2-CZ2 3.71Å; Y724-W729 AromaticContact CD2-NE1 3.38Å; Y724-W729 HydrophobicContact CE1-CD2 4.33Å; Y724-W729 HydrophobicContact CE1-CH2 4.14Å; Y724-W729 AromaticContact CE1-CZ2 3.94Å; Y724-W729 HydrophobicContact CE1-CZ2 3.94Å; Y724-W729 HydrophobicContact CE1-CZ3 4.42Å; Y724-W729 AromaticContact CE2-CD1 3.86Å; Y724-W729 HydrophobicContact CE2-CD2 4.34Å; Y724-W729 AromaticContact CE2-CE2 3.73Å; Y724-W729 HydrophobicContact CE2-CG 4.43Å; Y724-W729 HydrophobicContact CE2-CZ2 4.19Å; Y724-W729 AromaticContact CE2-NE1 3.38Å; Y724-W729 AromaticContact CG-CE2 3.73Å; Y724-W729 HydrophobicContact CG-CH2 4.03Å; Y724-W729 AromaticContact CG-CZ2 3.3Å; Y724-W729 HydrophobicContact CG-CZ2 3.3Å; Y724-W729 AromaticContact CG-NE1 3.97Å; Y724-W729 AromaticContact CZ-CE2 3.92Å; Y724-W729 AromaticContact CZ-NE1 3.98Å; W729-M731 HydrophobicContact CB-CE 3.6Å; W729-M731 HydrophobicContact CB-CG 3.9Å; W729-M731 HydrophobicContact CB-SD 4.34Å; W729-M731 HydrophobicContact CG-CE 3.8Å; W729-M731 PolarHBondContact O-N 2.73Å; W729-V751 WeakPolarHBondContact O-CA 3.16Å; W729-V752 HydrophobicContact CE3-CG1 4.5Å; W729-V752 PolarHBondContact N-O 3.36Å; W729-V752 PolarHBondContact O-N 3.33Å; W729-L754 HydrophobicContact CZ3-CB 4.26Å; W729-F883 HydrophobicContact CD2-CB 4.21Å; W729-F883 HydrophobicContact CD2-CD2 4.07Å; W729-F883 HydrophobicContact CD2-CG 4.44Å; W729-F883 AromaticContact CE3-CD2 3.62Å; W729-F883 HydrophobicContact CE3-CD2 3.62Å; W729-F883 HydrophobicContact CE3-CE2 4.21Å; W729-F883 HydrophobicContact CE3-CG 4.4Å; W729-F883 AromaticContact CH2-CD2 3.9Å; W729-F883 HydrophobicContact CH2-CD2 3.9Å; W729-F883 HydrophobicContact CZ2-CB 4.32Å; W729-F883 HydrophobicContact CZ2-CD2 4.28Å; W729-F883 AromaticContact CZ3-CD2 3.55Å; W729-F883 HydrophobicContact CZ3-CD2 3.55Å; W729-F883 HydrophobicContact CZ3-CE2 4.06Å; W729-C886 HydrophobicContact CH2-CB 3.92Å; W729-C886 HydrophobicContact CZ2-CB 4.2Å
730E93.4Very high80.7Confident154 Ų15470.6 Ų70.672%0.7235%0.349SS*.EExtended strand (participates in β ladder)trans-73.5117.9164.9-68.1-161.9-17800109.9V751E730-V751 HydrophobicContact CG-CG2 4.43Å
731M94.5Very high81.5Confident5 Ų578 Ų783%0.02539%0.387CS..EExtended strand (participates in β ladder)trans-141.8-176.5-176.8-63.1-158.1174.800111.1W729 I750 V752 I872 G873 M880 F883W729-M731 HydrophobicContact CB-CE 3.6Å; W729-M731 HydrophobicContact CB-CG 3.9Å; W729-M731 HydrophobicContact CB-SD 4.34Å; W729-M731 HydrophobicContact CG-CE 3.8Å; W729-M731 PolarHBondContact O-N 2.73Å; M731-I750 PolarHBondContact N-O 2.79Å; M731-I750 PolarHBondContact O-N 2.94Å; M731-V752 HydrophobicContact CB-CG2 4.01Å; M731-V752 HydrophobicContact CG-CG2 4.24Å; M731-V752 HydrophobicContact SD-CG2 4.33Å; M731-I872 HydrophobicContact CB-CG2 3.57Å; M731-I872 HydrophobicContact CG-CG2 4.13Å; M731-I872 HydrophobicContact SD-CG2 3.44Å; M731-I872 WeakPolarHBondContact SD-CG2 3.47Å; M731-G873 CarbonylContact C-O 3.58Å; M731-G873 WeakPolarHBondContact CB-O 3.32Å; M731-M880 HydrophobicContact CE-CE 4.37Å; M731-M880 HydrophobicContact CE-SD 4.47Å; M731-M880 HydrophobicContact SD-CE 3.99Å; M731-M880 HydrophobicContact SD-SD 4.47Å; M731-F883 HydrophobicContact CE-CB 3.53Å; M731-F883 HydrophobicContact CE-CD1 3.84Å; M731-F883 HydrophobicContact CE-CG 3.81Å; M731-F883 HydrophobicContact SD-CD1 3.94Å; M731-F883 HydrophobicContact SD-CE1 4.42Å; M731-F883 HydrophobicContact SD-CG 4.41Å
732Q94Very high82.5Confident14 Ų1480.1 Ų80.17%0.06541%0.411CS..EExtended strand (participates in β ladder)trans-129.2127.3-179.5-52.4-172.312.800111.4W747 K748 I800 I872 G873Q732-W747 HydrophobicContact CB-CB 4.44Å; Q732-W747 HydrophobicContact CB-CE3 3.94Å; Q732-W747 WeakPolarHBondContact O-CZ3 3.46Å; Q732-K748 CarbonylContact C-O 3.52Å; Q732-K748 VanDerWaalsContact CA-O 3.26Å; Q732-K748 WeakPolarHBondContact CA-O 3.47Å; Q732-I800 HydrophobicContact CB-CD1 3.95Å; Q732-I800 HydrophobicContact CG-CD1 4.09Å; Q732-I872 CarbonylContact O-C 3.57Å; Q732-I872 VanDerWaalsContact O-CA 3.28Å; Q732-I872 WeakPolarHBondContact O-CA 3.16Å; Q732-G873 PolarHBondContact N-O 2.84Å; Q732-G873 PolarHBondContact O-N 2.93Å
733L95.1Very high83.3Confident4 Ų479.2 Ų79.22%0.02141%0.413CS..EExtended strand (participates in β ladder)trans-94.1133.7177.3-175.963.1000110.5Q735 K748 I750 L765 F775 F870 I872L733-Q735 HydrophobicContact CD2-CG 3.97Å; L733-Q735 HydrophobicContact CG-CG 3.94Å; L733-Q735 PolarHBondContact O-N 3.35Å; L733-K748 PolarHBondContact N-O 2.88Å; L733-K748 PolarHBondContact O-N 2.77Å; L733-I750 HydrophobicContact CB-CD1 3.87Å; L733-I750 HydrophobicContact CB-CG1 4.1Å; L733-I750 HydrophobicContact CB-CG2 4.09Å; L733-L765 HydrophobicContact CD1-CD1 4.44Å; L733-L765 HydrophobicContact CD2-CD1 4.17Å; L733-F775 HydrophobicContact CD2-CE2 3.93Å; L733-F775 HydrophobicContact CD2-CZ 3.74Å; L733-F870 HydrophobicContact CD1-CB 3.8Å; L733-I872 HydrophobicContact CD1-CG1 4.15Å
734R92.8Very high84.3Confident49 Ų4982.7 Ų82.719%0.18543%0.429CS..EExtended strand (participates in β ladder)trans-80116.9173.2-16274.8175.81364.8110R745 F746 W747 K871R734-R745 HydrophobicContact CG-CB 4.5Å; R734-R745 VanDerWaalsContact CZ-O 3.22Å; R734-R745 PolarHBondContact NH1-O 2.93Å; R734-R745 PolarHBondContact NH2-O 3.03Å; R734-F746 PolarHBondContact NH1-O 2.93Å; R734-W747 HydrophobicContact CB-CE3 4.01Å; R734-W747 HydrophobicContact CB-CH2 4.19Å; R734-W747 HydrophobicContact CB-CZ3 3.77Å; R734-W747 VanDerWaalsContact CD-CE2 3.49Å; R734-W747 HydrophobicContact CG-CZ3 4.47Å; R734-W747 VanDerWaalsContact NH1-CD1 3.29Å; R734-K871 HydrophobicContact CB-CB 4.13Å; R734-K871 PolarHBondContact N-O 2.74Å
735Q88Confident85.1Confident48 Ų4882.6 Ų82.622%0.22443%0.428CS..EExtended strand (participates in β ladder)trans-127.2143.2179.4-64.7-167.4-4100111.5L733 R745 F746 K748L733-Q735 HydrophobicContact CD2-CG 3.97Å; L733-Q735 HydrophobicContact CG-CG 3.94Å; L733-Q735 PolarHBondContact O-N 3.35Å; Q735-R745 CarbonylContact O-C 3.6Å; Q735-R745 VanDerWaalsContact O-CA 3.32Å; Q735-R745 WeakPolarHBondContact O-CA 3.2Å; Q735-F746 HydrophobicContact CB-CE1 4.27Å; Q735-F746 HydrophobicContact CB-CE2 4.01Å; Q735-F746 HydrophobicContact CB-CZ 3.83Å; Q735-F746 PolarHBondContact N-O 2.83Å; Q735-F746 WeakPolarHBondContact O-CD1 3.46Å; Q735-F746 PolarHBondContact O-N 2.8Å; Q735-K748 VanDerWaalsContact OE1-CD 3.22Å
736P86.5Confident86.1Confident54 Ų5480.2 Ų80.235%0.35141%0.412SS..SBendcis-69.2151.6-12.531.6-35.9000112.1K738 R745P736-K738 PolarHBondContact O-N 2.86Å; P736-R745 PolarHBondContact O-NE 2.77Å
737N83.3Confident86.8Confident62 Ų6280.2 Ų80.233%0.33240%0.4SS..SBendtrans-61-48.7-174.1-157.713.2000111.5R745 L869N737-R745 PolarHBondContact O-NH2 3.17Å; N737-L869 PolarHBondContact ND2-O 3.33Å
738K82.3Confident87.3Confident174 Ų17478 Ų7876%0.75738%0.38SS*.SBendtrans-96130.6166-65-178.2179.71790109.7P736 K740P736-K738 PolarHBondContact O-N 2.86Å; K738-K740 PolarHBondContact O-N 2.8Å
739K78.7Confident87.7Confident94 Ų9484.7 Ų84.741%0.40941%0.405SS..PPolyproline II helixtrans-69.3121.1172.8177.9-178.6175.1-1710108.5D84D84-K739 VanDerWaalsContact OD1-CD 3.31Å; D84-K739 WeakPolarHBondContact OD1-CD 3.28Å; D84-K739 WeakPolarHBondContact OD1-CE 3.39Å; D84-K739 IonicContact OD1-NZ 2.61Å; D84-K739 PolarHBondContact OD1-NZ 2.71Å
740K81Confident87.8Confident167 Ų16784.3 Ų84.373%0.72640%0.404SS*.PPolyproline II helixtrans-78.2151.3161.4-65.8-172.4178.8-175.30107.6K738 T742 G743K738-K740 PolarHBondContact O-N 2.8Å; K740-T742 PolarHBondContact O-N 2.77Å; K740-T742 VanDerWaalsContact O-N 3.11Å; K740-G743 PolarHBondContact O-N 2.85Å
741I79.1Confident87.8Confident169 Ų16977.4 Ų77.487%0.86737%0.372SS*.THydrogen-bonded Turntrans-50.3-41.6-174.1-169.5169.1000113.6
742T81.1Confident87.8Confident141 Ų14177.2 Ų77.287%0.86537%0.371SS*.THydrogen-bonded Turntrans-943.1178.4-21.90000114.4K740K740-T742 PolarHBondContact O-N 2.77Å; K740-T742 VanDerWaalsContact O-N 3.11Å
743G78Confident87.7Confident28 Ų2879.4 Ų79.429%0.28938%0.379SS..  trans-104.7114-167.500000114.1K740K740-G743 PolarHBondContact O-N 2.85Å
744Q82.7Confident87.5Confident179 Ų17981.8 Ų81.884%0.83639%0.391SS*.  trans-68.9141.1171.4-165.2179.317.900111.4
745R87.3Confident87.4Confident62 Ų6282 Ų8223%0.23440%0.398CS..  trans-91.4131.5170.9-71.9171.1159.9147.8-9111D84 R734 Q735 P736 N737D84-R745 IonicContact OD2-NH1 3.67Å; D84-R745 PolarHBondContact OD2-NH1 3.23Å; R734-R745 HydrophobicContact CG-CB 4.5Å; R734-R745 VanDerWaalsContact CZ-O 3.22Å; R734-R745 PolarHBondContact NH1-O 2.93Å; R734-R745 PolarHBondContact NH2-O 3.03Å; Q735-R745 CarbonylContact O-C 3.6Å; Q735-R745 VanDerWaalsContact O-CA 3.32Å; Q735-R745 WeakPolarHBondContact O-CA 3.2Å; P736-R745 PolarHBondContact O-NE 2.77Å; N737-R745 PolarHBondContact O-NH2 3.17Å
746F90.4Very high87.4Confident114 Ų11484.5 Ų84.550%0.542%0.417SS..EExtended strand (participates in β ladder)trans-113.3171.717360.6-86.2000111.6R734 Q735 K748R734-F746 PolarHBondContact NH1-O 2.93Å; Q735-F746 HydrophobicContact CB-CE1 4.27Å; Q735-F746 HydrophobicContact CB-CE2 4.01Å; Q735-F746 HydrophobicContact CB-CZ 3.83Å; Q735-F746 PolarHBondContact N-O 2.83Å; Q735-F746 WeakPolarHBondContact O-CD1 3.46Å; Q735-F746 PolarHBondContact O-N 2.8Å; F746-K748 HydrophobicContact CD2-CB 4.43Å; F746-K748 HydrophobicContact CE2-CB 4.14Å
747W92.4Very high87.5Confident40 Ų4085.1 Ų85.115%0.15242%0.415CS..EExtended strand (participates in β ladder)trans-107.6126.8171.6-71.2111.1000108.5Q732 R734 Y794 I800 T802 K871Q732-W747 HydrophobicContact CB-CB 4.44Å; Q732-W747 HydrophobicContact CB-CE3 3.94Å; Q732-W747 WeakPolarHBondContact O-CZ3 3.46Å; R734-W747 HydrophobicContact CB-CE3 4.01Å; R734-W747 HydrophobicContact CB-CH2 4.19Å; R734-W747 HydrophobicContact CB-CZ3 3.77Å; R734-W747 VanDerWaalsContact CD-CE2 3.49Å; R734-W747 HydrophobicContact CG-CZ3 4.47Å; R734-W747 VanDerWaalsContact NH1-CD1 3.29Å; W747-Y794 HydrophobicContact CB-CE2 4.17Å; W747-Y794 AromaticContact CD1-CD2 3.67Å; W747-Y794 AromaticContact CD1-CE2 3.88Å; W747-Y794 HydrophobicContact CG-CD2 4.26Å; W747-Y794 HydrophobicContact CG-CE2 4.16Å; W747-I800 HydrophobicContact CD2-CD1 4.24Å; W747-I800 HydrophobicContact CE3-CD1 4.24Å; W747-I800 HydrophobicContact CH2-CD1 4.4Å; W747-I800 HydrophobicContact CH2-CG2 4.38Å; W747-I800 HydrophobicContact CZ2-CD1 4.39Å; W747-I800 HydrophobicContact CZ2-CG2 3.69Å; W747-I800 HydrophobicContact CZ3-CD1 4.32Å; W747-T802 HydrophobicContact CH2-CG2 3.55Å; W747-T802 HydrophobicContact CZ2-CG2 3.87Å; W747-K871 HydrophobicContact CH2-CD 4.4Å; W747-K871 HydrophobicContact CH2-CG 4.39Å
748K93.8Very high87.7Confident55 Ų5589.5 Ų89.524%0.23944%0.438CS..EExtended strand (participates in β ladder)trans-107.9124.2177.2-179.2-176.3171.4-170.80108.9Q732 L733 Q735 F746 I750 N767Q732-K748 CarbonylContact C-O 3.52Å; Q732-K748 VanDerWaalsContact CA-O 3.26Å; Q732-K748 WeakPolarHBondContact CA-O 3.47Å; L733-K748 PolarHBondContact N-O 2.88Å; L733-K748 PolarHBondContact O-N 2.77Å; Q735-K748 VanDerWaalsContact OE1-CD 3.22Å; F746-K748 HydrophobicContact CD2-CB 4.43Å; F746-K748 HydrophobicContact CE2-CB 4.14Å; K748-I750 HydrophobicContact CD-CG2 4.36Å; K748-I750 HydrophobicContact CG-CG2 4.26Å; K748-I750 PolarHBondContact O-N 3.46Å; K748-N767 WeakPolarHBondContact CE-OD1 3.25Å; K748-N767 PolarHBondContact NZ-OD1 2.91Å
749K94.8Very high87.8Confident153 Ų15388.2 Ų88.267%0.66544%0.44SS*.EExtended strand (participates in β ladder)trans-61.4134.9169.4-69-170.3177.5-169.90109.9
750I94.8Very high88.3Confident4 Ų485.7 Ų85.72%0.02143%0.432CS..EExtended strand (participates in β ladder)trans-144.6162.1179.459.6153.3000109.8M731 L733 K748 V752 L765 L766 F775M731-I750 PolarHBondContact N-O 2.79Å; M731-I750 PolarHBondContact O-N 2.94Å; L733-I750 HydrophobicContact CB-CD1 3.87Å; L733-I750 HydrophobicContact CB-CG1 4.1Å; L733-I750 HydrophobicContact CB-CG2 4.09Å; K748-I750 HydrophobicContact CD-CG2 4.36Å; K748-I750 HydrophobicContact CG-CG2 4.26Å; K748-I750 PolarHBondContact O-N 3.46Å; I750-V752 HydrophobicContact CD1-CG2 3.64Å; I750-V752 HydrophobicContact CG1-CG2 4.3Å; I750-L765 HydrophobicContact CD1-CB 4.31Å; I750-L765 HydrophobicContact CD1-CD2 3.92Å; I750-L765 HydrophobicContact CD1-CG 4.49Å; I750-L766 CarbonylContact C-O 3.58Å; I750-L766 VanDerWaalsContact CA-O 3.26Å; I750-L766 WeakPolarHBondContact CA-O 3.31Å; I750-L766 VanDerWaalsContact CB-O 3.25Å; I750-L766 WeakPolarHBondContact CB-O 3.2Å; I750-F775 HydrophobicContact CB-CE1 4.36Å; I750-F775 HydrophobicContact CG2-CE1 3.65Å; I750-F775 HydrophobicContact CG2-CZ 3.77Å
751V94.2Very high88.8Confident10 Ų1078.3 Ų78.36%0.06140%0.401CS..EExtended strand (participates in β ladder)trans-106132.5164.5-178.30000108.4W729 E730 L766 A769W729-V751 WeakPolarHBondContact O-CA 3.16Å; E730-V751 HydrophobicContact CG-CG2 4.43Å; V751-L766 HydrophobicContact CB-CB 4.41Å; V751-L766 PolarHBondContact N-O 2.89Å; V751-L766 PolarHBondContact O-N 2.74Å; V751-A769 HydrophobicContact CG2-CB 4.14Å
752V93.7Very high89.5Confident0 Ų070.6 Ų70.60%036%0.362CS..EExtended strand (participates in β ladder)trans-105.7127.4178.8-175.40000108.7G728 W729 M731 I750 V763 L765 I872 F883G728-V752 CarbonylContact C-O 3.5Å; G728-V752 WeakPolarHBondContact CA-O 3.45Å; W729-V752 HydrophobicContact CE3-CG1 4.5Å; W729-V752 PolarHBondContact N-O 3.36Å; W729-V752 PolarHBondContact O-N 3.33Å; M731-V752 HydrophobicContact CB-CG2 4.01Å; M731-V752 HydrophobicContact CG-CG2 4.24Å; M731-V752 HydrophobicContact SD-CG2 4.33Å; I750-V752 HydrophobicContact CD1-CG2 3.64Å; I750-V752 HydrophobicContact CG1-CG2 4.3Å; V752-V763 HydrophobicContact CG1-CG1 3.86Å; V752-L765 HydrophobicContact CG1-CD2 4.16Å; V752-L765 HydrophobicContact CG2-CD2 4.07Å; V752-I872 HydrophobicContact CG2-CD1 4.17Å; V752-F883 HydrophobicContact CG1-CD2 4.4Å; V752-F883 HydrophobicContact CG1-CE1 4.44Å; V752-F883 HydrophobicContact CG1-CE2 3.58Å; V752-F883 HydrophobicContact CG1-CZ 3.62Å
753R91.8Very high90.2Very high60 Ų6063.9 Ų63.923%0.22632%0.321CS..EExtended strand (participates in β ladder)trans-120145.6170.9-70.5178.3170.9137.75.9110P727 V755 V763 Q764 L766 A769P727-R753 PolarHBondContact O-NE 2.76Å; P727-R753 PolarHBondContact O-NH2 2.82Å; R753-V755 HydrophobicContact CB-CG2 4.06Å; R753-V763 WeakPolarHBondContact O-CA 3.48Å; R753-Q764 HydrophobicContact CB-CB 4.22Å; R753-Q764 PolarHBondContact N-O 3.3Å; R753-Q764 PolarHBondContact O-N 3.34Å; R753-L766 HydrophobicContact CB-CD1 4.2Å; R753-L766 HydrophobicContact CG-CD1 3.91Å; R753-A769 PolarHBondContact NH1-O 3.19Å; R753-A769 PolarHBondContact NH2-O 3.43Å
754L90.9Very high90.9Very high54 Ų5463.9 Ų63.928%0.28331%0.313SS..EExtended strand (participates in β ladder)trans-110.1114.2167.817961.9000106.8W729 P761 V763 L780 C886 I887 A890W729-L754 HydrophobicContact CZ3-CB 4.26Å; L754-P761 HydrophobicContact CD1-CB 4.18Å; L754-V763 HydrophobicContact CD1-CG2 4.19Å; L754-L780 HydrophobicContact CD1-CD1 4.21Å; L754-C886 HydrophobicContact CD2-CB 4.1Å; L754-I887 HydrophobicContact CD1-CD1 4.07Å; L754-I887 HydrophobicContact CD2-CD1 4.35Å; L754-A890 HydrophobicContact CD2-CB 4.23Å
755V90.2Very high91.5Very high54 Ų5455.3 Ų55.333%0.32727%0.273SS..EExtended strand (participates in β ladder)trans-129.1134.9-174-178.20000108.5R753 Q757 V762 Q764R753-V755 HydrophobicContact CB-CG2 4.06Å; V755-Q757 HydrophobicContact CG1-CG 4.32Å; V755-V762 PolarHBondContact N-O 3.25Å; V755-V762 PolarHBondContact O-N 2.84Å; V755-Q764 HydrophobicContact CG2-CG 4.47Å
756V89.2Confident91.8Very high101 Ų10152.5 Ų52.561%0.61226%0.263SS*.EExtended strand (participates in β ladder)trans-84.5120.7172-175.80000108.5V760V756-V760 WeakPolarHBondContact CA-O 3.42Å
757Q88.1Confident91.9Very high66 Ų6650.2 Ų50.231%0.30826%0.256SS..EExtended strand (participates in β ladder)trans-119.7121.8174.9-59.3-179.69.200108.1V755 D759 V760 V762 Q764 E777V755-Q757 HydrophobicContact CG1-CG 4.32Å; Q757-D759 VanDerWaalsContact C-N 3.29Å; Q757-D759 PolarHBondContact O-N 3Å; Q757-V760 PolarHBondContact N-O 2.9Å; Q757-V760 PolarHBondContact O-N 3.49Å; Q757-V760 VanDerWaalsContact O-O 3.13Å; Q757-V762 HydrophobicContact CB-CG2 3.96Å; Q757-V762 HydrophobicContact CG-CB 4.34Å; Q757-V762 HydrophobicContact CG-CG2 3.97Å; Q757-Q764 VanDerWaalsContact NE2-NE2 3.12Å; Q757-E777 PolarHBondContact NE2-OE1 2.89Å
758N86.3Confident91.8Very high154 Ų15454.8 Ų54.882%0.82428%0.279SS*.THydrogen-bonded Turntrans48.949.8180-54.5-20.6000112.5V760N758-V760 PolarHBondContact O-N 2.99Å
759D85Confident91.5Very high148 Ų14854.8 Ų54.879%0.79129%0.289SS*.THydrogen-bonded Turntrans59.81.6-174.3-56.2-38.3000116.9Q757Q757-D759 VanDerWaalsContact C-N 3.29Å; Q757-D759 PolarHBondContact O-N 3Å
760V89.2Confident91Very high40 Ų4050.8 Ų50.824%0.24229%0.291CS..EExtended strand (participates in β ladder)trans-95.8126.5173.4-178.60000110V756 Q757 N758 V762 P779V756-V760 WeakPolarHBondContact CA-O 3.42Å; Q757-V760 PolarHBondContact N-O 2.9Å; Q757-V760 PolarHBondContact O-N 3.49Å; Q757-V760 VanDerWaalsContact O-O 3.13Å; N758-V760 PolarHBondContact O-N 2.99Å; V760-V762 PolarHBondContact O-N 2.79Å; V760-P779 HydrophobicContact CG1-CB 3.84Å
761P92.3Very high90.7Very high13 Ų1352.7 Ų52.78%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-72.9120.3171.427.3-30.4000110.7L754 L780 A890 I894L754-P761 HydrophobicContact CD1-CB 4.18Å; P761-L780 HydrophobicContact CB-CD1 4.23Å; P761-L780 HydrophobicContact CG-CB 4.32Å; P761-L780 HydrophobicContact CG-CD1 4.25Å; P761-L780 WeakPolarHBondContact O-CB 3.19Å; P761-L780 WeakPolarHBondContact O-CG 3.38Å; P761-L780 PolarHBondContact O-N 3.15Å; P761-A890 HydrophobicContact CB-CB 4.01Å; P761-A890 HydrophobicContact CG-CB 4.13Å; P761-I894 HydrophobicContact CG-CD1 3.8Å; P761-I894 HydrophobicContact CG-CG1 3.69Å
762V94Very high90.2Very high6 Ų662.1 Ų62.14%0.03634%0.342CS..EExtended strand (participates in β ladder)trans-111129.7-178.7-177.90000109.9V755 Q757 V760 Q764 E777 P779V755-V762 PolarHBondContact N-O 3.25Å; V755-V762 PolarHBondContact O-N 2.84Å; Q757-V762 HydrophobicContact CB-CG2 3.96Å; Q757-V762 HydrophobicContact CG-CB 4.34Å; Q757-V762 HydrophobicContact CG-CG2 3.97Å; V760-V762 PolarHBondContact O-N 2.79Å; V762-Q764 HydrophobicContact CG1-CG 4.29Å; V762-E777 HydrophobicContact CG1-CB 3.88Å; V762-E777 HydrophobicContact CG1-CG 4.39Å; V762-P779 HydrophobicContact CG2-CB 4.26Å
763V94.2Very high89.9Confident0 Ų069.9 Ų69.90%038%0.378CS..EExtended strand (participates in β ladder)trans-86.8112.3168.1-175.30000108.6V752 R753 L754 L765 E777 L778 L780 F870 F883 I887V752-V763 HydrophobicContact CG1-CG1 3.86Å; R753-V763 WeakPolarHBondContact O-CA 3.48Å; L754-V763 HydrophobicContact CD1-CG2 4.19Å; V763-L765 HydrophobicContact CG1-CD2 3.94Å; V763-E777 CarbonylContact O-C 3.42Å; V763-E777 WeakPolarHBondContact O-CA 3.22Å; V763-L778 PolarHBondContact N-O 2.96Å; V763-L778 PolarHBondContact O-N 2.91Å; V763-L780 HydrophobicContact CG2-CD1 4.35Å; V763-L780 HydrophobicContact CG2-CD2 3.8Å; V763-L780 HydrophobicContact CG2-CG 4.09Å; V763-F870 HydrophobicContact CB-CZ 4.41Å; V763-F870 HydrophobicContact CG1-CZ 4Å; V763-F883 HydrophobicContact CG1-CZ 4.41Å; V763-I887 HydrophobicContact CG2-CD1 3.51Å
764Q93.9Very high89.9Confident28 Ų2868.5 Ų68.513%0.13138%0.377CS..EExtended strand (participates in β ladder)trans-95.4130.4175.9-65.7-170.3-38.300110.2R753 V755 Q757 V762 L766 P774 E777R753-Q764 HydrophobicContact CB-CB 4.22Å; R753-Q764 PolarHBondContact N-O 3.3Å; R753-Q764 PolarHBondContact O-N 3.34Å; V755-Q764 HydrophobicContact CG2-CG 4.47Å; Q757-Q764 VanDerWaalsContact NE2-NE2 3.12Å; V762-Q764 HydrophobicContact CG1-CG 4.29Å; Q764-L766 HydrophobicContact CB-CD1 4.15Å; Q764-P774 HydrophobicContact CB-CB 4.01Å; Q764-P774 HydrophobicContact CB-CG 4.25Å; Q764-P774 HydrophobicContact CG-CB 4.46Å; Q764-P774 HydrophobicContact CG-CG 4.16Å; Q764-E777 HydrophobicContact CG-CG 4.23Å; Q764-E777 WeakPolarHBondContact CG-OE1 3.5Å; Q764-E777 PolarHBondContact NE2-OE1 2.83Å
765L94.5Very high90Very high0 Ų069.4 Ų69.40%038%0.378CS..EExtended strand (participates in β ladder)trans-110.5117.8174.3-48.4-177.4000109.2L733 I750 V752 V763 P774 F775 Q776 F870 I872L733-L765 HydrophobicContact CD1-CD1 4.44Å; L733-L765 HydrophobicContact CD2-CD1 4.17Å; I750-L765 HydrophobicContact CD1-CB 4.31Å; I750-L765 HydrophobicContact CD1-CD2 3.92Å; I750-L765 HydrophobicContact CD1-CG 4.49Å; V752-L765 HydrophobicContact CG1-CD2 4.16Å; V752-L765 HydrophobicContact CG2-CD2 4.07Å; V763-L765 HydrophobicContact CG1-CD2 3.94Å; L765-P774 CarbonylContact O-C 3.59Å; L765-P774 VanDerWaalsContact O-CA 3.3Å; L765-P774 WeakPolarHBondContact O-CA 3.26Å; L765-P774 VanDerWaalsContact O-CB 3.26Å; L765-P774 WeakPolarHBondContact O-CB 3.3Å; L765-F775 HydrophobicContact CB-CE1 3.81Å; L765-F775 HydrophobicContact CB-CE2 4.17Å; L765-F775 HydrophobicContact CB-CZ 3.57Å; L765-F775 HydrophobicContact CD1-CZ 4.38Å; L765-F775 WeakPolarHBondContact O-CD1 3.47Å; L765-F775 WeakPolarHBondContact O-CE1 3.41Å; L765-F775 PolarHBondContact O-N 3Å; L765-Q776 HydrophobicContact CB-CB 4.33Å; L765-Q776 WeakPolarHBondContact CB-O 3.14Å; L765-Q776 HydrophobicContact CD1-CB 4.23Å; L765-Q776 HydrophobicContact CD1-CG 4.26Å; L765-Q776 PolarHBondContact N-O 2.9Å; L765-Q776 PolarHBondContact O-N 2.96Å; L765-F870 HydrophobicContact CD1-CD1 4.08Å; L765-F870 HydrophobicContact CD1-CE1 4.24Å; L765-I872 HydrophobicContact CD2-CD1 4.23Å
766L93.5Very high90.1Very high2 Ų270.1 Ų70.11%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-114.4155.2-178.1-53.4100.1000110I750 V751 R753 Q764 D771 P774I750-L766 CarbonylContact C-O 3.58Å; I750-L766 VanDerWaalsContact CA-O 3.26Å; I750-L766 WeakPolarHBondContact CA-O 3.31Å; I750-L766 VanDerWaalsContact CB-O 3.25Å; I750-L766 WeakPolarHBondContact CB-O 3.2Å; V751-L766 HydrophobicContact CB-CB 4.41Å; V751-L766 PolarHBondContact N-O 2.89Å; V751-L766 PolarHBondContact O-N 2.74Å; R753-L766 HydrophobicContact CB-CD1 4.2Å; R753-L766 HydrophobicContact CG-CD1 3.91Å; Q764-L766 HydrophobicContact CB-CD1 4.15Å; L766-D771 HydrophobicContact CB-CB 4.2Å; L766-D771 HydrophobicContact CD2-CB 3.93Å; L766-D771 WeakPolarHBondContact CD2-O 3.13Å; L766-P774 HydrophobicContact CG-CB 4.13Å
767N92.5Very high90.3Very high66 Ų6669.5 Ų69.535%0.35337%0.369SS..SBendtrans-79.3-39.4176.2-44.5-87.6000110.4K748 D771 F775K748-N767 WeakPolarHBondContact CE-OD1 3.25Å; K748-N767 PolarHBondContact NZ-OD1 2.91Å; N767-D771 WeakPolarHBondContact CA-OD2 3.47Å; N767-D771 WeakPolarHBondContact CB-OD2 3.42Å; N767-D771 PolarHBondContact N-OD2 2.72Å; N767-D771 PolarHBondContact ND2-OD2 3.13Å; N767-F775 WeakPolarHBondContact OD1-CD1 3.14Å
768Q90.3Very high90.6Very high137 Ų13767.4 Ų67.464%0.6436%0.359SS*.SBendtrans-135.8158.5178.5-55.3-172.512.500110.5G770 D771Q768-G770 PolarHBondContact O-N 2.79Å; Q768-D771 PolarHBondContact N-OD2 2.77Å; Q768-D771 WeakPolarHBondContact O-CB 3.37Å; Q768-D771 PolarHBondContact O-N 2.82Å
769A87.1Confident91Very high54 Ų5462.9 Ų62.945%0.44634%0.339SS..THydrogen-bonded Turntrans-63.7-26.2-178.300000113.7V751 R753V751-A769 HydrophobicContact CG2-CB 4.14Å; R753-A769 PolarHBondContact NH1-O 3.19Å; R753-A769 PolarHBondContact NH2-O 3.43Å
770G85.6Confident91.4Very high70 Ų7055.9 Ų55.972%0.72230%0.301SS*.THydrogen-bonded Turntrans-87.5-1.9177.800000115.4Q768 K772Q768-G770 PolarHBondContact O-N 2.79Å; G770-K772 PolarHBondContact O-N 2.98Å
771D87.6Confident91.5Very high43 Ų4357.9 Ų57.923%0.2331%0.308CS..  trans-63.3126.3177.1-70.8-10.1000109.8L766 N767 Q768 Q773L766-D771 HydrophobicContact CB-CB 4.2Å; L766-D771 HydrophobicContact CD2-CB 3.93Å; L766-D771 WeakPolarHBondContact CD2-O 3.13Å; N767-D771 WeakPolarHBondContact CA-OD2 3.47Å; N767-D771 WeakPolarHBondContact CB-OD2 3.42Å; N767-D771 PolarHBondContact N-OD2 2.72Å; N767-D771 PolarHBondContact ND2-OD2 3.13Å; Q768-D771 PolarHBondContact N-OD2 2.77Å; Q768-D771 WeakPolarHBondContact O-CB 3.37Å; Q768-D771 PolarHBondContact O-N 2.82Å; D771-Q773 VanDerWaalsContact C-N 3.35Å
772K84.3Confident91.5Very high208 Ų20858.2 Ų58.290%0.90431%0.31SS*.SBendtrans-77.2-20176.5-68.3-169.5176.9-172.50113.7G770G770-K772 PolarHBondContact O-N 2.98Å
773Q88.3Confident91.3Very high164 Ų16459.1 Ų59.177%0.76632%0.317SS*.SBendtrans-127128.1178.6-71.2-179.3-13.700109.3D771D771-Q773 VanDerWaalsContact C-N 3.35Å
774P90.9Very high91.3Very high31 Ų3161.2 Ų61.220%0.20133%0.325CS..  trans-65.9146.9169.127.5-33.3000111Q764 L765 L766 Q776 E777Q764-P774 HydrophobicContact CB-CB 4.01Å; Q764-P774 HydrophobicContact CB-CG 4.25Å; Q764-P774 HydrophobicContact CG-CB 4.46Å; Q764-P774 HydrophobicContact CG-CG 4.16Å; L765-P774 CarbonylContact O-C 3.59Å; L765-P774 VanDerWaalsContact O-CA 3.3Å; L765-P774 WeakPolarHBondContact O-CA 3.26Å; L765-P774 VanDerWaalsContact O-CB 3.26Å; L765-P774 WeakPolarHBondContact O-CB 3.3Å; L766-P774 HydrophobicContact CG-CB 4.13Å; P774-Q776 VanDerWaalsContact C-N 3.3Å; P774-E777 HydrophobicContact CB-CG 4.01Å; P774-E777 HydrophobicContact CG-CG 3.32Å; P774-E777 WeakPolarHBondContact CG-OE1 3.39Å
775F92.6Very high91.3Very high72 Ų7261.9 Ų61.932%0.31633%0.333SS..SBendtrans-80.7-16.3174.372-97.3000112.3L733 I750 L765 N767L733-F775 HydrophobicContact CD2-CE2 3.93Å; L733-F775 HydrophobicContact CD2-CZ 3.74Å; I750-F775 HydrophobicContact CB-CE1 4.36Å; I750-F775 HydrophobicContact CG2-CE1 3.65Å; I750-F775 HydrophobicContact CG2-CZ 3.77Å; L765-F775 HydrophobicContact CB-CE1 3.81Å; L765-F775 HydrophobicContact CB-CE2 4.17Å; L765-F775 HydrophobicContact CB-CZ 3.57Å; L765-F775 HydrophobicContact CD1-CZ 4.38Å; L765-F775 WeakPolarHBondContact O-CD1 3.47Å; L765-F775 WeakPolarHBondContact O-CE1 3.41Å; L765-F775 PolarHBondContact O-N 3Å; N767-F775 WeakPolarHBondContact OD1-CD1 3.14Å
776Q92.9Very high91.2Very high70 Ų7063 Ų6333%0.32734%0.339SS..EExtended strand (participates in β ladder)trans-152.4131.7174.3178.4176.9-0.800109.1L765 P774L765-Q776 HydrophobicContact CB-CB 4.33Å; L765-Q776 WeakPolarHBondContact CB-O 3.14Å; L765-Q776 HydrophobicContact CD1-CB 4.23Å; L765-Q776 HydrophobicContact CD1-CG 4.26Å; L765-Q776 PolarHBondContact N-O 2.9Å; L765-Q776 PolarHBondContact O-N 2.96Å; P774-Q776 VanDerWaalsContact C-N 3.3Å
777E93.2Very high91.2Very high87 Ų8764 Ų6441%0.40735%0.347SS..EExtended strand (participates in β ladder)trans-112.8151.8168.7-61.7-168.6118.700110Q757 V762 V763 Q764 P774Q757-E777 PolarHBondContact NE2-OE1 2.89Å; V762-E777 HydrophobicContact CG1-CB 3.88Å; V762-E777 HydrophobicContact CG1-CG 4.39Å; V763-E777 CarbonylContact O-C 3.42Å; V763-E777 WeakPolarHBondContact O-CA 3.22Å; Q764-E777 HydrophobicContact CG-CG 4.23Å; Q764-E777 WeakPolarHBondContact CG-OE1 3.5Å; Q764-E777 PolarHBondContact NE2-OE1 2.83Å; P774-E777 HydrophobicContact CB-CG 4.01Å; P774-E777 HydrophobicContact CG-CG 3.32Å; P774-E777 WeakPolarHBondContact CG-OE1 3.39Å
778L93.9Very high91.2Very high22 Ų2268 Ų6812%0.11536%0.363CS..EExtended strand (participates in β ladder)trans-138.6104.6170.6-179.369.3000109.4V763 L780 Y784 L805 L869 F870V763-L778 PolarHBondContact N-O 2.96Å; V763-L778 PolarHBondContact O-N 2.91Å; L778-L780 PolarHBondContact O-N 2.82Å; L778-Y784 HydrophobicContact CD1-CE2 3.93Å; L778-Y784 HydrophobicContact CD2-CD2 4.48Å; L778-Y784 HydrophobicContact CD2-CE2 4.1Å; L778-Y784 HydrophobicContact CG-CE2 4.05Å; L778-L805 HydrophobicContact CD2-CD2 3.5Å; L778-L805 VanDerWaalsContact CD2-CD2 3.5Å; L778-L869 HydrophobicContact CD2-CB 4.21Å; L778-L869 HydrophobicContact CD2-CD1 3.92Å; L778-F870 HydrophobicContact CB-CE1 4.11Å; L778-F870 HydrophobicContact CD2-CD1 4.24Å; L778-F870 HydrophobicContact CD2-CE1 3.48Å; L778-F870 VanDerWaalsContact CD2-CE1 3.48Å; L778-F870 HydrophobicContact CD2-CZ 3.94Å; L778-F870 HydrophobicContact CG-CE1 4.45Å
779P94.8Very high91.3Very high60 Ų6063.6 Ų63.639%0.3934%0.344SS..EExtended strand (participates in β ladder)trans-62.9127.316626.8-32.8000109V760 V762 Y784V760-P779 HydrophobicContact CG1-CB 3.84Å; V762-P779 HydrophobicContact CG2-CB 4.26Å; P779-Y784 WeakPolarHBondContact O-CE2 3.44Å
780L94.1Very high91.5Very high1 Ų162.7 Ų62.71%0.00534%0.34CS..  trans-68.4150.9177.4-64.7177.9000110.6L754 P761 V763 L778 Y784 L805 I887 A890 L891 I894L754-L780 HydrophobicContact CD1-CD1 4.21Å; P761-L780 HydrophobicContact CB-CD1 4.23Å; P761-L780 HydrophobicContact CG-CB 4.32Å; P761-L780 HydrophobicContact CG-CD1 4.25Å; P761-L780 WeakPolarHBondContact O-CB 3.19Å; P761-L780 WeakPolarHBondContact O-CG 3.38Å; P761-L780 PolarHBondContact O-N 3.15Å; V763-L780 HydrophobicContact CG2-CD1 4.35Å; V763-L780 HydrophobicContact CG2-CD2 3.8Å; V763-L780 HydrophobicContact CG2-CG 4.09Å; L778-L780 PolarHBondContact O-N 2.82Å; L780-Y784 HydrophobicContact CD2-CD2 4.21Å; L780-L805 HydrophobicContact CD2-CD2 3.82Å; L780-I887 HydrophobicContact CD1-CD1 4.07Å; L780-I887 HydrophobicContact CD1-CG2 4.34Å; L780-A890 HydrophobicContact CD1-CB 3.91Å; L780-L891 HydrophobicContact CB-CD2 4.2Å; L780-I894 HydrophobicContact CB-CD1 3.58Å
781Q91.9Very high91.7Very high82 Ų8261.3 Ų61.338%0.38332%0.321SS..  trans-132149.3-179.7-65.4-63.7-38.800110S783 Y784 L891Q781-S783 PolarHBondContact O-N 3.27Å; Q781-Y784 HydrophobicContact CB-CD1 3.95Å; Q781-Y784 HydrophobicContact CB-CD2 4.13Å; Q781-Y784 HydrophobicContact CB-CE1 3.77Å; Q781-Y784 HydrophobicContact CB-CE2 3.96Å; Q781-Y784 HydrophobicContact CB-CG 4.12Å; Q781-Y784 HydrophobicContact CG-CE1 4.07Å; Q781-Y784 HydrophobicContact CG-CE2 3.93Å; Q781-Y784 WeakPolarHBondContact O-CB 2.97Å; Q781-Y784 PolarHBondContact O-N 2.92Å; Q781-L891 WeakPolarHBondContact O-CD2 3.29Å
782P91Very high91.8Very high20 Ų2062.8 Ų62.813%0.1333%0.327CS..THydrogen-bonded Turntrans-64.1-1.7179.2-22.734.5000115.7I894 A896 N1007P782-I894 HydrophobicContact CG-CB 4.28Å; P782-I894 HydrophobicContact CG-CG2 3.75Å; P782-A896 HydrophobicContact CB-CB 3.82Å; P782-A896 HydrophobicContact CG-CB 3.8Å; P782-N1007 PolarHBondContact O-ND2 3Å
783S90.8Very high91.9Very high25 Ų2557.4 Ų57.418%0.17531%0.305CS..THydrogen-bonded Turntrans-102.83.8175560000113Q781 Y807 I808 N1007Q781-S783 PolarHBondContact O-N 3.27Å; S783-Y807 WeakPolarHBondContact OG-CD2 3.49Å; S783-Y807 WeakPolarHBondContact OG-CE2 3.45Å; S783-I808 PolarHBondContact O-N 2.99Å; S783-N1007 PolarHBondContact N-ND2 2.84Å
784Y94.6Very high91.8Very high44 Ų4453.7 Ų53.717%0.17328%0.284CS..EExtended strand (participates in β ladder)trans-92.6145.6177-62.5-4.3000110.6L778 P779 L780 Q781 Q806 Y807 L869L778-Y784 HydrophobicContact CD1-CE2 3.93Å; L778-Y784 HydrophobicContact CD2-CD2 4.48Å; L778-Y784 HydrophobicContact CD2-CE2 4.1Å; L778-Y784 HydrophobicContact CG-CE2 4.05Å; P779-Y784 WeakPolarHBondContact O-CE2 3.44Å; L780-Y784 HydrophobicContact CD2-CD2 4.21Å; Q781-Y784 HydrophobicContact CB-CD1 3.95Å; Q781-Y784 HydrophobicContact CB-CD2 4.13Å; Q781-Y784 HydrophobicContact CB-CE1 3.77Å; Q781-Y784 HydrophobicContact CB-CE2 3.96Å; Q781-Y784 HydrophobicContact CB-CG 4.12Å; Q781-Y784 HydrophobicContact CG-CE1 4.07Å; Q781-Y784 HydrophobicContact CG-CE2 3.93Å; Q781-Y784 WeakPolarHBondContact O-CB 2.97Å; Q781-Y784 PolarHBondContact O-N 2.92Å; Y784-Q806 CarbonylContact C-O 3.34Å; Y784-Q806 WeakPolarHBondContact CA-O 3.21Å; Y784-Y807 HydrophobicContact CD1-CD2 4.03Å; Y784-Y807 HydrophobicContact CD1-CG 4.35Å; Y784-Y807 HydrophobicContact CE1-CD2 4.04Å; Y784-Y807 HydrophobicContact CE1-CG 4.18Å; Y784-L869 HydrophobicContact CD1-CD1 3.75Å; Y784-L869 HydrophobicContact CD2-CD1 3.64Å; Y784-L869 HydrophobicContact CE1-CD1 3.67Å; Y784-L869 HydrophobicContact CE2-CD1 3.55Å; Y784-L869 HydrophobicContact CG-CD1 3.75Å
785S92.9Very high91.4Very high42 Ų4255.5 Ų55.529%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-140.8147.8-178-172.10000110.9Q806S785-Q806 PolarHBondContact N-O 2.91Å; S785-Q806 PolarHBondContact O-N 2.93Å
786V93.5Very high90.6Very high23 Ų2358.3 Ų58.314%0.13931%0.306CS..EExtended strand (participates in β ladder)trans-95.6131.9-178.9-175.70000109.2M803 L805 S884 I887 E888 L891V786-M803 HydrophobicContact CG1-CE 3.73Å; V786-M803 HydrophobicContact CG1-CG 3.62Å; V786-M803 HydrophobicContact CG1-SD 3.33Å; V786-M803 WeakPolarHBondContact CG1-SD 2.77Å; V786-L805 HydrophobicContact CG2-CD1 4.04Å; V786-S884 WeakPolarHBondContact CG1-OG 3.34Å; V786-I887 HydrophobicContact CG2-CB 4.11Å; V786-I887 HydrophobicContact CG2-CG2 3.51Å; V786-E888 HydrophobicContact CG2-CG 4.45Å; V786-L891 HydrophobicContact CG2-CD1 4.44Å
787S93.5Very high89.4Confident24 Ų2460 Ų6017%0.16831%0.313CS..PPolyproline II helixtrans-76.4150.9173.279.70000112.1M803 K804S787-M803 WeakPolarHBondContact O-CG 3.34Å; S787-K804 PolarHBondContact N-O 3.46Å; S787-K804 PolarHBondContact OG-N 3.31Å
788E90.8Very high88.6Confident149 Ų14956.7 Ų56.770%0.69630%0.303SS*.PPolyproline II helixtrans-55.6151166.1-59.1-175.1146.700111.8G790 R1211E788-G790 PolarHBondContact O-N 3.33Å; E788-R1211 IonicContact OE1-CZ 2.93Å; E788-R1211 IonicContact OE1-NH2 2.77Å; E788-R1211 PolarHBondContact OE1-NH2 3.12Å
789I92.7Very high88.4Confident45 Ų4559.6 Ų59.623%0.23131%0.314CS..  trans-80.4109-170.1-59171.8000110.1F801 Y877 M880 K881I789-F801 HydrophobicContact CG2-CB 3.99Å; I789-F801 HydrophobicContact CG2-CD1 4.26Å; I789-Y877 HydrophobicContact CD1-CE2 4.41Å; I789-Y877 HydrophobicContact CG2-CD2 4.36Å; I789-Y877 HydrophobicContact CG2-CE2 4.23Å; I789-M880 HydrophobicContact CD1-CB 4.23Å; I789-M880 HydrophobicContact CD1-CG 3.81Å; I789-M880 HydrophobicContact CG1-CG 3.93Å; I789-M880 HydrophobicContact CG2-CG 3.92Å; I789-K881 HydrophobicContact CD1-CB 4.22Å
790G91.1Very high88.2Confident35 Ų3556.7 Ų56.736%0.36130%0.296SS..EExtended strand (participates in β ladder)trans-112.1134.5-177.600000113.6E788 T802E788-G790 PolarHBondContact O-N 3.33Å; G790-T802 PolarHBondContact N-O 2.93Å; G790-T802 WeakPolarHBondContact O-CA 3.38Å; G790-T802 WeakPolarHBondContact O-CB 3.35Å; G790-T802 PolarHBondContact O-N 2.83Å; G790-T802 PolarHBondContact O-OG1 2.91Å
791A89.7Confident88.2Confident41 Ų4156.8 Ų56.834%0.33930%0.296SS..EExtended strand (participates in β ladder)trans-86.1115.9-179.200000112.9K799 I800 F801A791-K799 HydrophobicContact CB-CB 4.34Å; A791-K799 HydrophobicContact CB-CD 3.94Å; A791-I800 CarbonylContact C-O 3.57Å; A791-I800 WeakPolarHBondContact CA-O 3.43Å; A791-F801 HydrophobicContact CB-CD1 4.38Å
792Q89.6Confident88.4Confident74 Ų7453.3 Ų53.335%0.34628%0.28SS..EExtended strand (participates in β ladder)trans-105.5149.1176.7-173.9169.115.600110.9Y794 K799 I800 T802Q792-Y794 PolarHBondContact O-N 2.84Å; Q792-K799 CarbonylContact O-C 3.58Å; Q792-K799 WeakPolarHBondContact O-CA 3.36Å; Q792-K799 WeakPolarHBondContact O-CB 3.34Å; Q792-I800 HydrophobicContact CB-CG2 4.36Å; Q792-I800 PolarHBondContact N-O 3.47Å; Q792-I800 WeakPolarHBondContact O-CG2 3.24Å; Q792-I800 PolarHBondContact O-N 2.83Å; Q792-T802 HydrophobicContact CB-CG2 4.08Å
793Q88Confident88.6Confident94 Ų9452.6 Ų52.644%0.43928%0.275SS..EExtended strand (participates in β ladder)trans-59.9135.3172.1-173.6160.611.100110.8D795 R1084Q793-D795 VanDerWaalsContact CG-O 3.22Å; Q793-D795 WeakPolarHBondContact CG-O 3.5Å; Q793-D795 PolarHBondContact NE2-O 2.87Å; Q793-R1084 VanDerWaalsContact OE1-NH1 3.11Å
794Y86.4Confident88.8Confident86 Ų8654.3 Ų54.334%0.33728%0.279SS..  trans-107.6-53.3-177.4176.3-116.6000111.2W747 Q792 G798 I800 M875W747-Y794 HydrophobicContact CB-CE2 4.17Å; W747-Y794 AromaticContact CD1-CD2 3.67Å; W747-Y794 AromaticContact CD1-CE2 3.88Å; W747-Y794 HydrophobicContact CG-CD2 4.26Å; W747-Y794 HydrophobicContact CG-CE2 4.16Å; Q792-Y794 PolarHBondContact O-N 2.84Å; Y794-G798 PolarHBondContact N-O 2.92Å; Y794-G798 VanDerWaalsContact N-O 3.1Å; Y794-I800 HydrophobicContact CD2-CB 4.26Å; Y794-I800 HydrophobicContact CD2-CD1 4.27Å; Y794-I800 HydrophobicContact CD2-CG2 4.28Å; Y794-I800 HydrophobicContact CG-CB 4.27Å; Y794-I800 HydrophobicContact CG-CG2 4.48Å; Y794-M875 HydrophobicContact CD1-CE 4Å; Y794-M875 HydrophobicContact CD1-SD 4.34Å; Y794-M875 HydrophobicContact CD2-CE 4.38Å; Y794-M875 HydrophobicContact CE1-CE 4.32Å; Y794-M875 HydrophobicContact CE1-SD 4.42Å; Y794-M875 HydrophobicContact CG-CE 4.04Å
795D81.6Confident88.8Confident69 Ų6952.4 Ų52.437%0.36927%0.273SS..SBendtrans-138-161.8178.958.834.5000109.7Q793 F797 G798Q793-D795 VanDerWaalsContact CG-O 3.22Å; Q793-D795 WeakPolarHBondContact CG-O 3.5Å; Q793-D795 PolarHBondContact NE2-O 2.87Å; D795-F797 VanDerWaalsContact C-N 3.32Å; D795-F797 WeakPolarHBondContact OD1-CA 3.31Å; D795-F797 PolarHBondContact OD1-N 2.8Å; D795-G798 PolarHBondContact OD1-N 2.9Å
796Q74.7Confident88.9Confident131 Ų13151.9 Ų51.961%0.61227%0.265SS*.SBendtrans-75.5-15.6179.1-66178.3-7.200114.4
797F68.3Low88.9Confident105 Ų10555.2 Ų55.246%0.46128%0.276SS..SBendtrans-114.4-21-169.3-54.8-83.3000113.5D795 Y1085D795-F797 VanDerWaalsContact C-N 3.32Å; D795-F797 WeakPolarHBondContact OD1-CA 3.31Å; D795-F797 PolarHBondContact OD1-N 2.8Å; F797-Y1085 AromaticContact CD1-CD2 3.57Å; F797-Y1085 HydrophobicContact CD1-CD2 3.57Å; F797-Y1085 AromaticContact CD1-CE2 3.88Å; F797-Y1085 HydrophobicContact CD1-CE2 3.88Å; F797-Y1085 HydrophobicContact CD1-CG 4.26Å; F797-Y1085 AromaticContact CE1-CD2 3.61Å; F797-Y1085 HydrophobicContact CE1-CD2 3.61Å; F797-Y1085 AromaticContact CE1-CE2 3.41Å; F797-Y1085 HydrophobicContact CE1-CE2 3.41Å; F797-Y1085 VanDerWaalsContact CE1-CE2 3.41Å; F797-Y1085 HydrophobicContact CZ-CE2 4.39Å
798G76.8Confident88.9Confident19 Ų1956 Ų5620%0.19628%0.278CS..  trans-148.5172.2-166.700000116.1Y794 D795Y794-G798 PolarHBondContact N-O 2.92Å; Y794-G798 VanDerWaalsContact N-O 3.1Å; D795-G798 PolarHBondContact OD1-N 2.9Å
799K88.7Confident89Confident82 Ų8251.5 Ų51.536%0.35726%0.256SS..EExtended strand (participates in β ladder)trans-121.7150.4174-61.5-166.1-172.1174.10110.2A791 Q792 H1128A791-K799 HydrophobicContact CB-CB 4.34Å; A791-K799 HydrophobicContact CB-CD 3.94Å; Q792-K799 CarbonylContact O-C 3.58Å; Q792-K799 WeakPolarHBondContact O-CA 3.36Å; Q792-K799 WeakPolarHBondContact O-CB 3.34Å; K799-H1128 HydrophobicContact CB-CB 4.18Å
800I92.3Very high88.9Confident0 Ų051.5 Ų51.50%025%0.254CS..EExtended strand (participates in β ladder)trans-99.2135171.3-175.8164.5000108.9Q732 W747 A791 Q792 Y794 T802 S874 M875Q732-I800 HydrophobicContact CB-CD1 3.95Å; Q732-I800 HydrophobicContact CG-CD1 4.09Å; W747-I800 HydrophobicContact CD2-CD1 4.24Å; W747-I800 HydrophobicContact CE3-CD1 4.24Å; W747-I800 HydrophobicContact CH2-CD1 4.4Å; W747-I800 HydrophobicContact CH2-CG2 4.38Å; W747-I800 HydrophobicContact CZ2-CD1 4.39Å; W747-I800 HydrophobicContact CZ2-CG2 3.69Å; W747-I800 HydrophobicContact CZ3-CD1 4.32Å; A791-I800 CarbonylContact C-O 3.57Å; A791-I800 WeakPolarHBondContact CA-O 3.43Å; Q792-I800 HydrophobicContact CB-CG2 4.36Å; Q792-I800 PolarHBondContact N-O 3.47Å; Q792-I800 WeakPolarHBondContact O-CG2 3.24Å; Q792-I800 PolarHBondContact O-N 2.83Å; Y794-I800 HydrophobicContact CD2-CB 4.26Å; Y794-I800 HydrophobicContact CD2-CD1 4.27Å; Y794-I800 HydrophobicContact CD2-CG2 4.28Å; Y794-I800 HydrophobicContact CG-CB 4.27Å; Y794-I800 HydrophobicContact CG-CG2 4.48Å; I800-T802 HydrophobicContact CB-CG2 4.41Å; I800-T802 HydrophobicContact CG1-CG2 4.24Å; I800-T802 HydrophobicContact CG2-CG2 3.71Å; I800-S874 WeakPolarHBondContact CG1-O 3.4Å; I800-M875 HydrophobicContact CB-CE 3.55Å; I800-M875 HydrophobicContact CD1-CE 3.86Å; I800-M875 HydrophobicContact CG1-CE 3.59Å
801F94.3Very high88.8Confident3 Ų354.8 Ų54.81%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-72.4133.1166.9-64.6-71.3000108.4I789 A791 G873 S874 Y877 H1128 H1129I789-F801 HydrophobicContact CG2-CB 3.99Å; I789-F801 HydrophobicContact CG2-CD1 4.26Å; A791-F801 HydrophobicContact CB-CD1 4.38Å; F801-G873 CarbonylContact O-C 3.56Å; F801-G873 WeakPolarHBondContact O-CA 3.42Å; F801-S874 PolarHBondContact N-O 3.49Å; F801-S874 PolarHBondContact O-N 2.94Å; F801-Y877 AromaticContact CD1-CD2 3.87Å; F801-Y877 HydrophobicContact CD1-CD2 3.87Å; F801-Y877 AromaticContact CE1-CD2 3.78Å; F801-Y877 HydrophobicContact CE1-CD2 3.78Å; F801-Y877 HydrophobicContact CE1-CG 4.46Å; F801-Y877 HydrophobicContact CG-CD2 4.35Å; F801-Y877 HydrophobicContact CZ-CD2 4.2Å; F801-Y877 HydrophobicContact CZ-CG 4.44Å; F801-H1128 HydrophobicContact CE1-CB 4.36Å; F801-H1128 AromaticContact CE1-ND1 3.31Å; F801-H1128 VanDerWaalsContact CE1-ND1 3.31Å; F801-H1128 WeakPolarHBondContact CE1-ND1 3.15Å; F801-H1128 HydrophobicContact CE2-CB 3.96Å; F801-H1128 WeakPolarHBondContact CE2-O 3.2Å; F801-H1128 HydrophobicContact CZ-CB 3.74Å; F801-H1128 AromaticContact CZ-CG 3.92Å; F801-H1128 AromaticContact CZ-ND1 3.34Å; F801-H1128 VanDerWaalsContact CZ-ND1 3.34Å; F801-H1128 WeakPolarHBondContact CZ-ND1 3.47Å; F801-H1128 VanDerWaalsContact CZ-O 3.25Å; F801-H1128 WeakPolarHBondContact CZ-O 3.34Å; F801-H1129 AromaticContact CE1-CE1 3.36Å; F801-H1129 WeakPolarHBondContact CE1-CE1 3.02Å; F801-H1129 AromaticContact CE1-ND1 3.82Å; F801-H1129 AromaticContact CE1-NE2 3.62Å; F801-H1129 AromaticContact CZ-CE1 3.56Å; F801-H1129 AromaticContact CZ-CG 3.95Å; F801-H1129 AromaticContact CZ-ND1 3.5Å; F801-H1129 WeakPolarHBondContact CZ-ND1 3.47Å
802T95.4Very high88.6Confident8 Ų855.3 Ų55.35%0.04925%0.253CS..EExtended strand (participates in β ladder)trans-133.5145.1-173.670.60000113.2W747 G790 Q792 I800 K871 I872W747-T802 HydrophobicContact CH2-CG2 3.55Å; W747-T802 HydrophobicContact CZ2-CG2 3.87Å; G790-T802 PolarHBondContact N-O 2.93Å; G790-T802 WeakPolarHBondContact O-CA 3.38Å; G790-T802 WeakPolarHBondContact O-CB 3.35Å; G790-T802 PolarHBondContact O-N 2.83Å; G790-T802 PolarHBondContact O-OG1 2.91Å; Q792-T802 HydrophobicContact CB-CG2 4.08Å; I800-T802 HydrophobicContact CB-CG2 4.41Å; I800-T802 HydrophobicContact CG1-CG2 4.24Å; I800-T802 HydrophobicContact CG2-CG2 3.71Å; T802-K871 WeakPolarHBondContact OG1-CE 3.48Å; T802-K871 PolarHBondContact OG1-NZ 2.68Å; T802-I872 WeakPolarHBondContact CA-O 3.49Å
803M94.9Very high88.1Confident6 Ų658 Ų583%0.0326%0.26CS..EExtended strand (participates in β ladder)trans-136.7143-177.8-165.9175.88600108.8V786 S787 I872 M880 F883V786-M803 HydrophobicContact CG1-CE 3.73Å; V786-M803 HydrophobicContact CG1-CG 3.62Å; V786-M803 HydrophobicContact CG1-SD 3.33Å; V786-M803 WeakPolarHBondContact CG1-SD 2.77Å; S787-M803 WeakPolarHBondContact O-CG 3.34Å; M803-I872 PolarHBondContact N-O 3.34Å; M803-I872 PolarHBondContact O-N 2.83Å; M803-I872 VanDerWaalsContact O-O 3.11Å; M803-M880 HydrophobicContact CB-CE 4.48Å; M803-M880 HydrophobicContact CB-CG 4.23Å; M803-M880 HydrophobicContact CB-SD 3.43Å; M803-M880 WeakPolarHBondContact CB-SD 3.27Å; M803-M880 HydrophobicContact CE-SD 4.27Å; M803-M880 HydrophobicContact CG-SD 4.28Å; M803-M880 HydrophobicContact SD-CG 4.39Å; M803-M880 HydrophobicContact SD-SD 3.86Å; M803-F883 HydrophobicContact CE-CD1 3.35Å; M803-F883 HydrophobicContact CE-CE1 3.47Å; M803-F883 VanDerWaalsContact CE-CE1 3.47Å; M803-F883 HydrophobicContact CE-CG 4.35Å
804K94.9Very high87.2Confident60 Ų6058.1 Ų58.126%0.26127%0.269SS..EExtended strand (participates in β ladder)trans-114.9127176.4-60.7169.3174.1-174.40108.3S787 Q806 Q868 F870 K871S787-K804 PolarHBondContact N-O 3.46Å; S787-K804 PolarHBondContact OG-N 3.31Å; K804-Q806 HydrophobicContact CB-CG 3.81Å; K804-Q868 HydrophobicContact CD-CG 4.08Å; K804-Q868 VanDerWaalsContact NZ-NE2 3.16Å; K804-F870 WeakPolarHBondContact CA-O 3.47Å; K804-K871 HydrophobicContact CG-CB 4.28Å; K804-K871 HydrophobicContact CG-CD 4.26Å; K804-K871 HydrophobicContact CG-CG 4.04Å
805L94.9Very high86.1Confident5 Ų554.5 Ų54.53%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-86126.9161.2-171.565.1000107.6L778 L780 V786 L869 F870 I887L778-L805 HydrophobicContact CD2-CD2 3.5Å; L778-L805 VanDerWaalsContact CD2-CD2 3.5Å; L780-L805 HydrophobicContact CD2-CD2 3.82Å; V786-L805 HydrophobicContact CG2-CD1 4.04Å; L805-L869 HydrophobicContact CG-CD1 4.35Å; L805-L869 WeakPolarHBondContact O-CB 3.39Å; L805-L869 PolarHBondContact O-N 3.35Å; L805-F870 HydrophobicContact CB-CD2 3.92Å; L805-F870 HydrophobicContact CB-CE2 3.5Å; L805-F870 HydrophobicContact CB-CZ 4.1Å; L805-F870 HydrophobicContact CD2-CE1 4.27Å; L805-F870 HydrophobicContact CD2-CE2 3.82Å; L805-F870 HydrophobicContact CD2-CZ 3.52Å; L805-F870 HydrophobicContact CG-CE2 4.34Å; L805-F870 HydrophobicContact CG-CZ 4.48Å; L805-F870 PolarHBondContact N-O 2.98Å; L805-I887 HydrophobicContact CD1-CG2 4.14Å
806Q94.5Very high84.8Confident30 Ų3055.7 Ų55.714%0.1427%0.268CS..EExtended strand (participates in β ladder)trans-129.7133.1-170.3-58.5-176.269.400110.5Y784 S785 K804 S866 S867 Q868Y784-Q806 CarbonylContact C-O 3.34Å; Y784-Q806 WeakPolarHBondContact CA-O 3.21Å; S785-Q806 PolarHBondContact N-O 2.91Å; S785-Q806 PolarHBondContact O-N 2.93Å; K804-Q806 HydrophobicContact CB-CG 3.81Å; Q806-S866 VanDerWaalsContact OE1-CB 3.23Å; Q806-S866 PolarHBondContact OE1-OG 2.7Å; Q806-S867 CarbonylContact C-O 3.6Å; Q806-S867 VanDerWaalsContact CA-O 3.27Å; Q806-S867 WeakPolarHBondContact CA-O 3.44Å; Q806-Q868 HydrophobicContact CG-CG 4.21Å
807Y94.5Very high83.9Confident93 Ų9351.2 Ų51.237%0.36525%0.245SC..EExtended strand (participates in β ladder)trans-79.4122.3163.3167.1-134.1000108.1S783 Y784 F809 S866 S867S783-Y807 WeakPolarHBondContact OG-CD2 3.49Å; S783-Y807 WeakPolarHBondContact OG-CE2 3.45Å; Y784-Y807 HydrophobicContact CD1-CD2 4.03Å; Y784-Y807 HydrophobicContact CD1-CG 4.35Å; Y784-Y807 HydrophobicContact CE1-CD2 4.04Å; Y784-Y807 HydrophobicContact CE1-CG 4.18Å; Y807-F809 AromaticContact CD1-CD1 3.93Å; Y807-F809 HydrophobicContact CD1-CD1 3.93Å; Y807-F809 HydrophobicContact CE1-CB 4.11Å; Y807-F809 AromaticContact CE1-CD1 3.72Å; Y807-F809 HydrophobicContact CE1-CD1 3.72Å; Y807-F809 HydrophobicContact CE1-CG 4.17Å; Y807-F809 HydrophobicContact CE2-CB 4.2Å; Y807-S866 CarbonylContact O-C 3.55Å; Y807-S866 WeakPolarHBondContact O-CA 3.42Å; Y807-S867 PolarHBondContact N-O 2.96Å; Y807-S867 PolarHBondContact O-N 3.07Å
808I93.3Very high82.8Confident42 Ų4251.9 Ų51.922%0.21526%0.26CS..EExtended strand (participates in β ladder)trans-101130.9174.5-58.9-177.7000108.3S783 Y810 P864S783-I808 PolarHBondContact O-N 2.99Å; I808-Y810 HydrophobicContact CG2-CD2 4.43Å; I808-Y810 HydrophobicContact CG2-CE2 3.75Å; I808-P864 HydrophobicContact CG2-CB 4.23Å
809F92.1Very high81.7Confident54 Ų5453.9 Ų53.924%0.23728%0.28CS..EExtended strand (participates in β ladder)trans-138.6148172.563.9-83.2000109.2Y807 Q865Y807-F809 AromaticContact CD1-CD1 3.93Å; Y807-F809 HydrophobicContact CD1-CD1 3.93Å; Y807-F809 HydrophobicContact CE1-CB 4.11Å; Y807-F809 AromaticContact CE1-CD1 3.72Å; Y807-F809 HydrophobicContact CE1-CD1 3.72Å; Y807-F809 HydrophobicContact CE1-CG 4.17Å; Y807-F809 HydrophobicContact CE2-CB 4.2Å; F809-Q865 HydrophobicContact CD1-CB 4.38Å; F809-Q865 WeakPolarHBondContact CD1-O 3.22Å; F809-Q865 HydrophobicContact CD2-CB 4.11Å; F809-Q865 HydrophobicContact CE1-CB 3.89Å; F809-Q865 HydrophobicContact CE2-CB 3.58Å; F809-Q865 HydrophobicContact CE2-CG 4.02Å; F809-Q865 HydrophobicContact CG-CB 4.48Å; F809-Q865 HydrophobicContact CZ-CB 3.46Å; F809-Q865 VanDerWaalsContact CZ-CB 3.46Å; F809-Q865 HydrophobicContact CZ-CG 4.28Å; F809-Q865 PolarHBondContact N-O 2.84Å; F809-Q865 PolarHBondContact O-N 3.42Å; F809-Q865 VanDerWaalsContact O-O 3.04Å
810Y91.3Very high79.9Confident45 Ų4552.8 Ų52.818%0.17628%0.277CS..EExtended strand (participates in β ladder)trans-105.2150.4-173.2-64.8-97.9000111.1I808 H862 P864 L939 F941 A1006I808-Y810 HydrophobicContact CG2-CD2 4.43Å; I808-Y810 HydrophobicContact CG2-CE2 3.75Å; Y810-H862 HydrophobicContact CD1-CB 4.46Å; Y810-P864 HydrophobicContact CD1-CB 3.9Å; Y810-P864 HydrophobicContact CE1-CB 3.61Å; Y810-P864 HydrophobicContact CE1-CG 4.27Å; Y810-L939 HydrophobicContact CE1-CD2 3.86Å; Y810-L939 HydrophobicContact CE2-CD1 3.88Å; Y810-L939 HydrophobicContact CE2-CD2 4.43Å; Y810-L939 WeakPolarHBondContact OH-CD2 3.41Å; Y810-F941 HydrophobicContact CD1-CE1 4.11Å; Y810-F941 HydrophobicContact CD1-CE2 4.48Å; Y810-F941 AromaticContact CD1-CZ 3.49Å; Y810-F941 HydrophobicContact CD1-CZ 3.49Å; Y810-F941 VanDerWaalsContact CD1-CZ 3.49Å; Y810-F941 AromaticContact CD2-CE1 3.93Å; Y810-F941 HydrophobicContact CD2-CE1 3.93Å; Y810-F941 AromaticContact CD2-CZ 3.88Å; Y810-F941 HydrophobicContact CD2-CZ 3.88Å; Y810-F941 AromaticContact CE1-CZ 3.89Å; Y810-F941 HydrophobicContact CE1-CZ 3.89Å; Y810-F941 HydrophobicContact CE2-CZ 4.27Å; Y810-F941 AromaticContact CG-CE1 3.62Å; Y810-F941 HydrophobicContact CG-CE1 3.62Å; Y810-F941 AromaticContact CG-CZ 3.47Å; Y810-F941 HydrophobicContact CG-CZ 3.47Å; Y810-F941 VanDerWaalsContact CG-CZ 3.47Å; Y810-A1006 HydrophobicContact CD2-CB 4.24Å; Y810-A1006 WeakPolarHBondContact CD2-O 3.34Å; Y810-A1006 WeakPolarHBondContact CE2-O 3.14Å
811K87.8Confident77.9Confident103 Ų10356.8 Ų56.845%0.44830%0.301SS..EExtended strand (participates in β ladder)trans-133.4126.6169.4-72.6-171.9-178.7146.90110.5R813 A863K811-R813 PolarHBondContact O-N 3.07Å; K811-A863 PolarHBondContact N-O 3.12Å; K811-A863 PolarHBondContact O-N 3.36Å
812E85.7Confident76.1Confident52 Ų5261.2 Ų61.224%0.24333%0.329CS..EExtended strand (participates in β ladder)trans-54.9119.8164.6-71.7-172.915400110.5V860 K905E812-V860 HydrophobicContact CB-CG1 3.55Å; E812-V860 HydrophobicContact CG-CG1 3.65Å; E812-K905 WeakPolarHBondContact OE1-CB 3.46Å; E812-K905 PolarHBondContact OE1-N 3.26Å; E812-K905 WeakPolarHBondContact OE2-CD 3.49Å; E812-K905 WeakPolarHBondContact OE2-CG 3.32Å; E812-K905 IonicContact OE2-NZ 3.6Å; E812-K905 PolarHBondContact OE2-NZ 2.85Å
813R79.5Confident74Confident131 Ų13165 Ų6549%0.49434%0.344SS..EExtended strand (participates in β ladder)trans-126.8145.1170.7-66.1-174178.1-145.71109.7K811 G815 V860 E861 A863K811-R813 PolarHBondContact O-N 3.07Å; R813-G815 PolarHBondContact O-N 3.31Å; R813-G815 VanDerWaalsContact O-N 3.11Å; R813-V860 CarbonylContact O-C 3.56Å; R813-V860 WeakPolarHBondContact O-CA 3.33Å; R813-E861 PolarHBondContact N-O 3.19Å; R813-E861 PolarHBondContact O-N 2.96Å; R813-A863 HydrophobicContact CG-CB 4.29Å
814P69.5Low72Confident96 Ų9665.9 Ų65.962%0.62335%0.352SS*.EExtended strand (participates in β ladder)trans-64.5110.3166.5-18.932.4000109.8L858P814-L858 HydrophobicContact CB-CB 4.07Å; P814-L858 HydrophobicContact CB-CD1 4.05Å
815G62.9Low70.2Confident10 Ų1068.3 Ų68.310%0.10337%0.365CS..  trans-93.4162.8179.600000113R813 P859R813-G815 PolarHBondContact O-N 3.31Å; R813-G815 VanDerWaalsContact O-N 3.11Å; G815-P859 PolarHBondContact N-O 3.27Å
816V54.9Low68.4Low94 Ų9477 Ų7757%0.5740%0.397SS*.  trans-124.295.5172.4-178.40000107.6
817R55Low66.8Low38 Ų3877.3 Ų77.314%0.14340%0.399CS..  trans-63.9130.5-177.1-64.3-174.1-177.9-1791.1110.2G819 Q820 E1203 Y1205R817-G819 PolarHBondContact O-N 2.72Å; R817-Q820 HydrophobicContact CB-CG 4.19Å; R817-Q820 VanDerWaalsContact O-CB 3.31Å; R817-Q820 WeakPolarHBondContact O-CB 3.17Å; R817-Q820 PolarHBondContact O-N 2.9Å; R817-E1203 IonicContact CZ-OE2 2.66Å; R817-E1203 VanDerWaalsContact CZ-OE2 3.26Å; R817-E1203 IonicContact NH1-OE1 3.5Å; R817-E1203 IonicContact NH1-OE2 2.71Å; R817-E1203 PolarHBondContact NH1-OE2 2.84Å; R817-E1203 IonicContact NH2-OE2 3.86Å; R817-E1203 PolarHBondContact NH2-OE2 3.22Å; R817-Y1205 PolarHBondContact NH2-OH 3.26Å
818P45.8Very low65.3Low118 Ų11876.8 Ų76.877%0.76641%0.406SS*.THydrogen-bonded Turntrans-51141.5166.2-25.435000110.2Q820P818-Q820 VanDerWaalsContact C-N 3.28Å; P818-Q820 PolarHBondContact O-N 3.04Å
819G52.7Low64Low61 Ų6180.2 Ų80.263%0.62943%0.425SS*.THydrogen-bonded Turntrans86.1-31.5-169.900000114.8R817 V821R817-G819 PolarHBondContact O-N 2.72Å; G819-V821 PolarHBondContact O-N 3.14Å; G819-V821 VanDerWaalsContact O-N 3.13Å
820Q52.1Low62.7Low59 Ų5981 Ų8128%0.27643%0.428SS..THydrogen-bonded Turntrans-68.8-1.7162.3-71.2-165.7-4.600112.5R817 P818 T822 K823 A824R817-Q820 HydrophobicContact CB-CG 4.19Å; R817-Q820 VanDerWaalsContact O-CB 3.31Å; R817-Q820 WeakPolarHBondContact O-CB 3.17Å; R817-Q820 PolarHBondContact O-N 2.9Å; P818-Q820 VanDerWaalsContact C-N 3.28Å; P818-Q820 PolarHBondContact O-N 3.04Å; Q820-T822 PolarHBondContact O-N 2.87Å; Q820-T822 VanDerWaalsContact O-N 3.14Å; Q820-K823 CarbonylContact O-C 3.58Å; Q820-K823 VanDerWaalsContact O-CA 3.31Å; Q820-K823 WeakPolarHBondContact O-CA 3.49Å; Q820-K823 VanDerWaalsContact O-CB 3.27Å; Q820-K823 WeakPolarHBondContact O-CB 3.24Å; Q820-K823 PolarHBondContact O-N 3.32Å; Q820-A824 PolarHBondContact O-N 2.96Å
821V51Low61.7Low84 Ų8482 Ų8251%0.50944%0.436SS..Hα-helixtrans-54.2-34179.6-174.30000112.4G819 K823 A824 E825G819-V821 PolarHBondContact O-N 3.14Å; G819-V821 VanDerWaalsContact O-N 3.13Å; V821-K823 VanDerWaalsContact C-N 3.33Å; V821-K823 PolarHBondContact O-N 3.43Å; V821-A824 CarbonylContact O-C 3.46Å; V821-A824 WeakPolarHBondContact O-CA 3.46Å; V821-A824 WeakPolarHBondContact O-CB 3.47Å; V821-A824 PolarHBondContact O-N 2.91Å; V821-A824 VanDerWaalsContact O-N 3.09Å; V821-E825 PolarHBondContact O-N 3.49Å
822T55.4Low61.1Low97 Ų9780.8 Ų80.860%0.59544%0.437SS*.Hα-helixtrans-72.5-22.6174.358.50000114.1Q820 E825Q820-T822 PolarHBondContact O-N 2.87Å; Q820-T822 VanDerWaalsContact O-N 3.14Å; T822-E825 WeakPolarHBondContact CA-OE2 3.31Å
823K51.7Low60.5Low88 Ų8883.5 Ų83.538%0.38345%0.448SS..Hα-helixtrans-80.8-34.3166.9-154.7-174.1-178.4-160.90109.7Q820 V821 R826 I827 L856Q820-K823 CarbonylContact O-C 3.58Å; Q820-K823 VanDerWaalsContact O-CA 3.31Å; Q820-K823 WeakPolarHBondContact O-CA 3.49Å; Q820-K823 VanDerWaalsContact O-CB 3.27Å; Q820-K823 WeakPolarHBondContact O-CB 3.24Å; Q820-K823 PolarHBondContact O-N 3.32Å; V821-K823 VanDerWaalsContact C-N 3.33Å; V821-K823 PolarHBondContact O-N 3.43Å; K823-R826 WeakPolarHBondContact O-CB 3.41Å; K823-R826 PolarHBondContact O-N 3.43Å; K823-I827 PolarHBondContact O-N 3.37Å; K823-L856 PolarHBondContact NZ-O 3.46Å
824A51.5Low60.4Low23 Ų2380.1 Ų80.119%0.1944%0.437CS..Hα-helixtrans-67.6-32.5173.100000112.4Q820 V821 R826 I827 T828Q820-A824 PolarHBondContact O-N 2.96Å; V821-A824 CarbonylContact O-C 3.46Å; V821-A824 WeakPolarHBondContact O-CA 3.46Å; V821-A824 WeakPolarHBondContact O-CB 3.47Å; V821-A824 PolarHBondContact O-N 2.91Å; V821-A824 VanDerWaalsContact O-N 3.09Å; A824-R826 PolarHBondContact O-N 2.88Å; A824-I827 CarbonylContact O-C 3.55Å; A824-I827 VanDerWaalsContact O-CA 3.23Å; A824-I827 WeakPolarHBondContact O-CA 3.43Å; A824-I827 VanDerWaalsContact O-CB 3.26Å; A824-I827 WeakPolarHBondContact O-CB 3.44Å; A824-I827 PolarHBondContact O-N 3.39Å; A824-T828 PolarHBondContact O-N 3.32Å; A824-T828 PolarHBondContact O-OG1 2.79Å; A824-T828 VanDerWaalsContact O-OG1 3.08Å
825E57.6Low60.8Low112 Ų11277.7 Ų77.752%0.52343%0.425SS..Hα-helixtrans-57.9-35.4169.8-74.9-179.611100111.7V821 T822 I827 T828 N829V821-E825 PolarHBondContact O-N 3.49Å; T822-E825 WeakPolarHBondContact CA-OE2 3.31Å; E825-I827 VanDerWaalsContact C-N 3.3Å; E825-T828 PolarHBondContact O-N 3.22Å; E825-N829 WeakPolarHBondContact O-CB 3.42Å; E825-N829 PolarHBondContact O-N 2.91Å; E825-N829 PolarHBondContact O-ND2 3.46Å
826R57.3Low61.6Low186 Ų18682.8 Ų82.870%0.70245%0.446SS*.Hα-helixtrans-70.4-28.7172-52.7-174.8-171.6-168.52.4111.8K823 A824 K830K823-R826 WeakPolarHBondContact O-CB 3.41Å; K823-R826 PolarHBondContact O-N 3.43Å; A824-R826 PolarHBondContact O-N 2.88Å; R826-K830 WeakPolarHBondContact O-CB 3.5Å; R826-K830 VanDerWaalsContact O-CG 3.31Å; R826-K830 WeakPolarHBondContact O-CG 3.49Å; R826-K830 PolarHBondContact O-N 3.04Å
827I61.4Low63Low38 Ų3881.5 Ų81.520%0.19543%0.432CS..Hα-helixtrans-71.6-46.8170.4-59174.8000109.7K823 A824 E825 N829 K830 L831 L856 L858K823-I827 PolarHBondContact O-N 3.37Å; A824-I827 CarbonylContact O-C 3.55Å; A824-I827 VanDerWaalsContact O-CA 3.23Å; A824-I827 WeakPolarHBondContact O-CA 3.43Å; A824-I827 VanDerWaalsContact O-CB 3.26Å; A824-I827 WeakPolarHBondContact O-CB 3.44Å; A824-I827 PolarHBondContact O-N 3.39Å; E825-I827 VanDerWaalsContact C-N 3.3Å; I827-N829 PolarHBondContact O-N 3.16Å; I827-K830 CarbonylContact O-C 3.58Å; I827-K830 WeakPolarHBondContact O-CA 3.26Å; I827-K830 WeakPolarHBondContact O-CB 3.3Å; I827-K830 PolarHBondContact O-N 3.16Å; I827-L831 WeakPolarHBondContact O-CB 3.33Å; I827-L831 PolarHBondContact O-N 2.78Å; I827-L856 HydrophobicContact CG1-CD1 4.16Å; I827-L858 HydrophobicContact CD1-CD2 4.22Å
828T63.7Low64.2Low81 Ų8182.3 Ų82.350%0.49745%0.446SS..Hα-helixtrans-57.1-47.8175.7-49.10000111.5A824 E825 K830 L831 T832A824-T828 PolarHBondContact O-N 3.32Å; A824-T828 PolarHBondContact O-OG1 2.79Å; A824-T828 VanDerWaalsContact O-OG1 3.08Å; E825-T828 PolarHBondContact O-N 3.22Å; T828-K830 PolarHBondContact O-N 2.71Å; T828-L831 WeakPolarHBondContact O-CA 3.43Å; T828-L831 WeakPolarHBondContact O-CB 3.46Å; T828-L831 PolarHBondContact O-N 2.96Å; T828-T832 PolarHBondContact O-N 3.29Å; T828-T832 PolarHBondContact O-OG1 2.81Å
829N64.6Low65.9Low115 Ų11583.9 Ų83.962%0.61545%0.447SS*.Hα-helixtrans-61.8-30.9174.2-82.4-82.9000113E825 I827E825-N829 WeakPolarHBondContact O-CB 3.42Å; E825-N829 PolarHBondContact O-N 2.91Å; E825-N829 PolarHBondContact O-ND2 3.46Å; I827-N829 PolarHBondContact O-N 3.16Å
830K66.1Low67.3Low70 Ų7084.8 Ų84.830%0.30445%0.448SS..Hα-helixtrans-80.8-25.2170.8-75.6-174.2179.1-171.80113R826 I827 T828 K833 F834 F849 D852R826-K830 WeakPolarHBondContact O-CB 3.5Å; R826-K830 VanDerWaalsContact O-CG 3.31Å; R826-K830 WeakPolarHBondContact O-CG 3.49Å; R826-K830 PolarHBondContact O-N 3.04Å; I827-K830 CarbonylContact O-C 3.58Å; I827-K830 WeakPolarHBondContact O-CA 3.26Å; I827-K830 WeakPolarHBondContact O-CB 3.3Å; I827-K830 PolarHBondContact O-N 3.16Å; T828-K830 PolarHBondContact O-N 2.71Å; K830-K833 CarbonylContact O-C 3.56Å; K830-K833 WeakPolarHBondContact O-CA 2.99Å; K830-K833 WeakPolarHBondContact O-CB 3.49Å; K830-K833 PolarHBondContact O-N 3.1Å; K830-F834 PolarHBondContact O-N 3Å; K830-F849 HydrophobicContact CB-CD2 3.87Å; K830-F849 HydrophobicContact CB-CE2 3.65Å; K830-F849 WeakPolarHBondContact O-CD2 3.38Å; K830-F849 WeakPolarHBondContact O-CE2 3.45Å; K830-D852 IonicContact NZ-OD2 2.69Å; K830-D852 PolarHBondContact NZ-OD2 2.87Å
831L69.7Low68.7Low67 Ų6784.4 Ų84.435%0.35146%0.46SS..Hα-helixtrans-74.3-38.4178.3-16871.3000110.3F75 I827 T828 K833 F834 A835 F849F75-L831 HydrophobicContact CZ-CD1 4.44Å; I827-L831 WeakPolarHBondContact O-CB 3.33Å; I827-L831 PolarHBondContact O-N 2.78Å; T828-L831 WeakPolarHBondContact O-CA 3.43Å; T828-L831 WeakPolarHBondContact O-CB 3.46Å; T828-L831 PolarHBondContact O-N 2.96Å; L831-K833 PolarHBondContact O-N 3.28Å; L831-F834 HydrophobicContact CD1-CD1 4.24Å; L831-F834 WeakPolarHBondContact O-CB 3.43Å; L831-F834 PolarHBondContact O-N 2.87Å; L831-F834 VanDerWaalsContact O-N 3.15Å; L831-A835 PolarHBondContact O-N 2.92Å; L831-F849 HydrophobicContact CD1-CE1 4.47Å; L831-F849 HydrophobicContact CD1-CZ 3.91Å
832T74.7Confident70.2Confident77 Ų7783.3 Ų83.347%0.47245%0.451SS..Hα-helixtrans-58.5-38.4166.6-520000111.2T828 Q836T828-T832 PolarHBondContact O-N 3.29Å; T828-T832 PolarHBondContact O-OG1 2.81Å; T832-Q836 VanDerWaalsContact O-CG 3.26Å; T832-Q836 WeakPolarHBondContact O-CG 3.37Å; T832-Q836 PolarHBondContact O-N 2.86Å
833K73Confident71.3Confident109 Ų10988.1 Ų88.147%0.47446%0.46SS..Hα-helixtrans-69.1-41.2171.7-71.5-172.7174.6-168.40112.9K830 L831 A835 Q836 Y837K830-K833 CarbonylContact O-C 3.56Å; K830-K833 WeakPolarHBondContact O-CA 2.99Å; K830-K833 WeakPolarHBondContact O-CB 3.49Å; K830-K833 PolarHBondContact O-N 3.1Å; L831-K833 PolarHBondContact O-N 3.28Å; K833-A835 VanDerWaalsContact C-N 3.32Å; K833-A835 PolarHBondContact O-N 3.33Å; K833-Q836 CarbonylContact O-C 3.53Å; K833-Q836 WeakPolarHBondContact O-CB 3.4Å; K833-Q836 PolarHBondContact O-N 3.22Å; K833-Q836 VanDerWaalsContact O-N 3.13Å; K833-Y837 HydrophobicContact CB-CD2 4.31Å; K833-Y837 HydrophobicContact CB-CE2 3.92Å; K833-Y837 WeakPolarHBondContact O-CD2 3.38Å; K833-Y837 PolarHBondContact O-N 3.47Å
834F76.8Confident72.7Confident60 Ų6090.2 Ų90.226%0.26347%0.471SS..Hα-helixtrans-57.8-44.8173.7171.5-95.3000111.5K830 L831 Q836 Y837 A838 V846 F849K830-F834 PolarHBondContact O-N 3Å; L831-F834 HydrophobicContact CD1-CD1 4.24Å; L831-F834 WeakPolarHBondContact O-CB 3.43Å; L831-F834 PolarHBondContact O-N 2.87Å; L831-F834 VanDerWaalsContact O-N 3.15Å; F834-Q836 PolarHBondContact O-N 3.45Å; F834-Y837 PolarHBondContact O-N 3.09Å; F834-A838 VanDerWaalsContact O-CB 3.31Å; F834-A838 WeakPolarHBondContact O-CB 3.43Å; F834-A838 PolarHBondContact O-N 3.29Å; F834-V846 HydrophobicContact CD2-CG2 4.45Å; F834-V846 HydrophobicContact CE2-CG1 4.03Å; F834-V846 HydrophobicContact CE2-CG2 4.4Å; F834-F849 HydrophobicContact CB-CB 4.48Å; F834-F849 HydrophobicContact CB-CD1 3.84Å; F834-F849 HydrophobicContact CB-CD2 3.93Å; F834-F849 HydrophobicContact CB-CE1 3.96Å; F834-F849 HydrophobicContact CB-CE2 4.07Å; F834-F849 HydrophobicContact CB-CG 3.82Å; F834-F849 HydrophobicContact CB-CZ 4.08Å; F834-F849 HydrophobicContact CD2-CB 4.2Å; F834-F849 AromaticContact CD2-CD1 3.25Å; F834-F849 HydrophobicContact CD2-CD1 3.25Å; F834-F849 AromaticContact CD2-CE1 3.73Å; F834-F849 HydrophobicContact CD2-CE1 3.73Å; F834-F849 AromaticContact CD2-CG 3.84Å; F834-F849 HydrophobicContact CD2-CG 3.84Å; F834-F849 AromaticContact CE2-CD1 3.98Å; F834-F849 HydrophobicContact CE2-CD1 3.98Å; F834-F849 HydrophobicContact CE2-CE1 4.35Å; F834-F849 AromaticContact CG-CD1 3.75Å; F834-F849 HydrophobicContact CG-CD1 3.75Å; F834-F849 AromaticContact CG-CE1 3.86Å; F834-F849 HydrophobicContact CG-CE1 3.86Å; F834-F849 HydrophobicContact CG-CG 4.21Å; F834-F849 HydrophobicContact CG-CZ 4.4Å
835A78.1Confident73.9Confident44 Ų4489.3 Ų89.336%0.36446%0.464SS..Hα-helixtrans-60.2-44172.900000111.5L831 K833 A838 I839L831-A835 PolarHBondContact O-N 2.92Å; K833-A835 VanDerWaalsContact C-N 3.32Å; K833-A835 PolarHBondContact O-N 3.33Å; A835-A838 PolarHBondContact O-N 3.01Å; A835-I839 VanDerWaalsContact O-CB 3.3Å; A835-I839 WeakPolarHBondContact O-CB 3.16Å; A835-I839 WeakPolarHBondContact O-CD1 3.42Å; A835-I839 WeakPolarHBondContact O-CG1 3.34Å; A835-I839 PolarHBondContact O-N 3.43Å
836Q80Confident74.8Confident118 Ų11886 Ų8655%0.55145%0.452SS*.Hα-helixtrans-61.3-44.6174.3-72.6166.91.400112.6T832 K833 F834 I839 A840T832-Q836 VanDerWaalsContact O-CG 3.26Å; T832-Q836 WeakPolarHBondContact O-CG 3.37Å; T832-Q836 PolarHBondContact O-N 2.86Å; K833-Q836 CarbonylContact O-C 3.53Å; K833-Q836 WeakPolarHBondContact O-CB 3.4Å; K833-Q836 PolarHBondContact O-N 3.22Å; K833-Q836 VanDerWaalsContact O-N 3.13Å; F834-Q836 PolarHBondContact O-N 3.45Å; Q836-I839 PolarHBondContact O-N 3.46Å; Q836-A840 WeakPolarHBondContact O-CB 3.46Å; Q836-A840 PolarHBondContact O-N 3.03Å
837Y83.9Confident75.8Confident66 Ų6683.8 Ų83.826%0.25945%0.447SS..Hα-helixtrans-64.7-43.2176.7-65.6-54.9000111.6K833 F834 A840 G841 D842K833-Y837 HydrophobicContact CB-CD2 4.31Å; K833-Y837 HydrophobicContact CB-CE2 3.92Å; K833-Y837 WeakPolarHBondContact O-CD2 3.38Å; K833-Y837 PolarHBondContact O-N 3.47Å; F834-Y837 PolarHBondContact O-N 3.09Å; Y837-A840 CarbonylContact O-C 3.53Å; Y837-A840 PolarHBondContact O-N 2.74Å; Y837-G841 PolarHBondContact O-N 2.93Å; Y837-D842 HydrophobicContact CD1-CB 3.93Å; Y837-D842 VanDerWaalsContact CD1-OD2 3.25Å; Y837-D842 WeakPolarHBondContact CD1-OD2 3.26Å; Y837-D842 PolarHBondContact O-N 3.37Å
838A80.7Confident76.6Confident55 Ų5587.3 Ų87.346%0.45546%0.463SS..Hα-helixtrans-63.7-43.7176.600000112.3F834 A835 A840 G841 V846F834-A838 VanDerWaalsContact O-CB 3.31Å; F834-A838 WeakPolarHBondContact O-CB 3.43Å; F834-A838 PolarHBondContact O-N 3.29Å; A835-A838 PolarHBondContact O-N 3.01Å; A838-A840 VanDerWaalsContact C-N 3.34Å; A838-G841 PolarHBondContact O-N 2.98Å; A838-V846 HydrophobicContact CB-CG2 4.33Å
839I82.6Confident76.9Confident152 Ų15284.5 Ų84.578%0.77944%0.444SS*.Hα-helixtrans-65.3-37.1175.2-69.8164.9000111.3A835 Q836 G841A835-I839 VanDerWaalsContact O-CB 3.3Å; A835-I839 WeakPolarHBondContact O-CB 3.16Å; A835-I839 WeakPolarHBondContact O-CD1 3.42Å; A835-I839 WeakPolarHBondContact O-CG1 3.34Å; A835-I839 PolarHBondContact O-N 3.43Å; Q836-I839 PolarHBondContact O-N 3.46Å; I839-G841 VanDerWaalsContact C-N 3.29Å; I839-G841 PolarHBondContact O-N 2.72Å
840A81.8Confident76.9Confident80 Ų8080.8 Ų80.866%0.66143%0.432SS*.Hα-helixtrans-76.1-12.9176.400000114Q836 Y837 A838 D842Q836-A840 WeakPolarHBondContact O-CB 3.46Å; Q836-A840 PolarHBondContact O-N 3.03Å; Y837-A840 CarbonylContact O-C 3.53Å; Y837-A840 PolarHBondContact O-N 2.74Å; A838-A840 VanDerWaalsContact C-N 3.34Å; A840-D842 VanDerWaalsContact C-N 3.29Å
841G80.6Confident77.1Confident50 Ų5079.6 Ų79.652%0.51543%0.432SS..THydrogen-bonded Turntrans72.618.7-172.100000114.2Y837 A838 I839 Y843Y837-G841 PolarHBondContact O-N 2.93Å; A838-G841 PolarHBondContact O-N 2.98Å; I839-G841 VanDerWaalsContact C-N 3.29Å; I839-G841 PolarHBondContact O-N 2.72Å; G841-Y843 PolarHBondContact O-N 2.78Å; G841-Y843 VanDerWaalsContact O-N 3.09Å
842D83.3Confident76.9Confident61 Ų6178.2 Ų78.233%0.32643%0.426SS..  trans-7989.2179.4-176.2-2.1000111.1Y837 A840 E844 G845 V846Y837-D842 HydrophobicContact CD1-CB 3.93Å; Y837-D842 VanDerWaalsContact CD1-OD2 3.25Å; Y837-D842 WeakPolarHBondContact CD1-OD2 3.26Å; Y837-D842 PolarHBondContact O-N 3.37Å; A840-D842 VanDerWaalsContact C-N 3.29Å; D842-E844 PolarHBondContact O-N 2.89Å; D842-E844 WeakPolarHBondContact OD1-CA 3.41Å; D842-E844 WeakPolarHBondContact OD1-CB 3.41Å; D842-E844 PolarHBondContact OD1-N 2.88Å; D842-G845 PolarHBondContact O-N 2.88Å; D842-G845 PolarHBondContact OD1-N 2.85Å; D842-V846 WeakPolarHBondContact O-CB 3.42Å; D842-V846 WeakPolarHBondContact O-CG2 3.32Å; D842-V846 PolarHBondContact O-N 3.48Å
843Y77.4Confident76.3Confident198 Ų19876.2 Ų76.278%0.77641%0.412SS*.Hα-helixtrans-60.6-26.3174-91.6-98.2000113.7G841 K847G841-Y843 PolarHBondContact O-N 2.78Å; G841-Y843 VanDerWaalsContact O-N 3.09Å; Y843-K847 WeakPolarHBondContact O-CB 3.21Å; Y843-K847 PolarHBondContact O-N 2.84Å; Y843-K847 VanDerWaalsContact O-N 3.11Å
844E81Confident75.7Confident132 Ų13279.9 Ų79.962%0.61743%0.428SS*.Hα-helixtrans-76.5-45.9-179.7-155.489.7-109.100109.7D842 K847 E848D842-E844 PolarHBondContact O-N 2.89Å; D842-E844 WeakPolarHBondContact OD1-CA 3.41Å; D842-E844 WeakPolarHBondContact OD1-CB 3.41Å; D842-E844 PolarHBondContact OD1-N 2.88Å; E844-K847 PolarHBondContact O-N 2.89Å; E844-K847 IonicContact OE1-NZ 2.64Å; E844-K847 PolarHBondContact OE1-NZ 3.47Å; E844-E848 WeakPolarHBondContact O-CB 3.47Å; E844-E848 PolarHBondContact O-N 2.95Å
845G77.2Confident74.8Confident4 Ų483.8 Ų83.84%0.04145%0.445CS..Hα-helixtrans-65.1-38.3174.400000114D842 E848 F849D842-G845 PolarHBondContact O-N 2.88Å; D842-G845 PolarHBondContact OD1-N 2.85Å; G845-E848 PolarHBondContact O-N 2.82Å; G845-F849 WeakPolarHBondContact O-CB 3.45Å; G845-F849 PolarHBondContact O-N 3.18Å
846V76Confident73.7Confident44 Ų4484.1 Ų84.127%0.26744%0.44SS..Hα-helixtrans-60.4-44.7171.2162.90000111.2F834 A838 D842 F849 G850F834-V846 HydrophobicContact CD2-CG2 4.45Å; F834-V846 HydrophobicContact CE2-CG1 4.03Å; F834-V846 HydrophobicContact CE2-CG2 4.4Å; A838-V846 HydrophobicContact CB-CG2 4.33Å; D842-V846 WeakPolarHBondContact O-CB 3.42Å; D842-V846 WeakPolarHBondContact O-CG2 3.32Å; D842-V846 PolarHBondContact O-N 3.48Å; V846-F849 PolarHBondContact O-N 3.04Å; V846-G850 PolarHBondContact O-N 2.84Å
847K79.4Confident72.5Confident139 Ų13980.6 Ų80.660%0.60444%0.436SS*.Hα-helixtrans-70.9-36.4178.8177.7-175.1168.2-157.80112.4Y843 E844 G850 S851Y843-K847 WeakPolarHBondContact O-CB 3.21Å; Y843-K847 PolarHBondContact O-N 2.84Å; Y843-K847 VanDerWaalsContact O-N 3.11Å; E844-K847 PolarHBondContact O-N 2.89Å; E844-K847 IonicContact OE1-NZ 2.64Å; E844-K847 PolarHBondContact OE1-NZ 3.47Å; K847-G850 PolarHBondContact O-N 2.92Å; K847-S851 WeakPolarHBondContact O-CB 3.36Å; K847-S851 PolarHBondContact O-N 2.94Å
848E77.3Confident71.3Confident112 Ų11280.6 Ų80.652%0.52344%0.44SS..Hα-helixtrans-62.4-49172.6-173.6176.3-154.200110.2E844 G845 G850 S851 D852E844-E848 WeakPolarHBondContact O-CB 3.47Å; E844-E848 PolarHBondContact O-N 2.95Å; G845-E848 PolarHBondContact O-N 2.82Å; E848-G850 PolarHBondContact O-N 2.88Å; E848-S851 CarbonylContact O-C 3.53Å; E848-S851 WeakPolarHBondContact O-CA 3.44Å; E848-S851 WeakPolarHBondContact O-CB 3.3Å; E848-S851 PolarHBondContact O-N 2.82Å; E848-S851 VanDerWaalsContact O-N 3.1Å; E848-S851 PolarHBondContact O-OG 2.83Å; E848-D852 WeakPolarHBondContact O-CB 3.47Å; E848-D852 PolarHBondContact O-N 2.73Å
849F70.4Confident70.5Confident22 Ų2278.7 Ų78.710%0.09642%0.423CS..Hα-helixtrans-57.1-45.5174.4175.6-92.4000112.2K830 L831 F834 G845 V846 S851 D852 L853K830-F849 HydrophobicContact CB-CD2 3.87Å; K830-F849 HydrophobicContact CB-CE2 3.65Å; K830-F849 WeakPolarHBondContact O-CD2 3.38Å; K830-F849 WeakPolarHBondContact O-CE2 3.45Å; L831-F849 HydrophobicContact CD1-CE1 4.47Å; L831-F849 HydrophobicContact CD1-CZ 3.91Å; F834-F849 HydrophobicContact CB-CB 4.48Å; F834-F849 HydrophobicContact CB-CD1 3.84Å; F834-F849 HydrophobicContact CB-CD2 3.93Å; F834-F849 HydrophobicContact CB-CE1 3.96Å; F834-F849 HydrophobicContact CB-CE2 4.07Å; F834-F849 HydrophobicContact CB-CG 3.82Å; F834-F849 HydrophobicContact CB-CZ 4.08Å; F834-F849 HydrophobicContact CD2-CB 4.2Å; F834-F849 AromaticContact CD2-CD1 3.25Å; F834-F849 HydrophobicContact CD2-CD1 3.25Å; F834-F849 AromaticContact CD2-CE1 3.73Å; F834-F849 HydrophobicContact CD2-CE1 3.73Å; F834-F849 AromaticContact CD2-CG 3.84Å; F834-F849 HydrophobicContact CD2-CG 3.84Å; F834-F849 AromaticContact CE2-CD1 3.98Å; F834-F849 HydrophobicContact CE2-CD1 3.98Å; F834-F849 HydrophobicContact CE2-CE1 4.35Å; F834-F849 AromaticContact CG-CD1 3.75Å; F834-F849 HydrophobicContact CG-CD1 3.75Å; F834-F849 AromaticContact CG-CE1 3.86Å; F834-F849 HydrophobicContact CG-CE1 3.86Å; F834-F849 HydrophobicContact CG-CG 4.21Å; F834-F849 HydrophobicContact CG-CZ 4.4Å; G845-F849 WeakPolarHBondContact O-CB 3.45Å; G845-F849 PolarHBondContact O-N 3.18Å; V846-F849 PolarHBondContact O-N 3.04Å; F849-S851 VanDerWaalsContact C-N 3.32Å; F849-S851 PolarHBondContact O-N 3.17Å; F849-D852 PolarHBondContact O-N 3.26Å; F849-D852 VanDerWaalsContact O-N 3.14Å; F849-L853 HydrophobicContact CE1-CD2 4.28Å; F849-L853 WeakPolarHBondContact O-CB 3.47Å; F849-L853 PolarHBondContact O-N 3.13Å
850G65.5Low70Confident36 Ų3672.6 Ų72.637%0.37139%0.393SS..Hα-helixtrans-60.2-40.1174.900000112.8V846 K847 E848 D852 K854V846-G850 PolarHBondContact O-N 2.84Å; K847-G850 PolarHBondContact O-N 2.92Å; E848-G850 PolarHBondContact O-N 2.88Å; G850-D852 VanDerWaalsContact C-N 3.35Å; G850-K854 PolarHBondContact O-N 2.84Å; G850-K854 VanDerWaalsContact O-N 3.11Å
851S70Confident69.8Low45 Ų4573.5 Ų73.532%0.31538%0.383SS..Hα-helixtrans-65.4-37.9173.888.60000112.2K847 E848 F849 K854 K855K847-S851 WeakPolarHBondContact O-CB 3.36Å; K847-S851 PolarHBondContact O-N 2.94Å; E848-S851 CarbonylContact O-C 3.53Å; E848-S851 WeakPolarHBondContact O-CA 3.44Å; E848-S851 WeakPolarHBondContact O-CB 3.3Å; E848-S851 PolarHBondContact O-N 2.82Å; E848-S851 VanDerWaalsContact O-N 3.1Å; E848-S851 PolarHBondContact O-OG 2.83Å; F849-S851 VanDerWaalsContact C-N 3.32Å; F849-S851 PolarHBondContact O-N 3.17Å; S851-K854 PolarHBondContact O-N 2.82Å; S851-K855 VanDerWaalsContact O-CG 3.26Å; S851-K855 WeakPolarHBondContact O-CG 3.5Å; S851-K855 PolarHBondContact O-N 3.12Å; S851-K855 PolarHBondContact OG-NZ 2.74Å
852D64.8Low70.1Confident39 Ų3971.5 Ų71.521%0.20936%0.36CS..Hα-helixtrans-75.8-34.6-179-103.727.7000112.3K830 E848 F849 G850 K854 K855 L856K830-D852 IonicContact NZ-OD2 2.69Å; K830-D852 PolarHBondContact NZ-OD2 2.87Å; E848-D852 WeakPolarHBondContact O-CB 3.47Å; E848-D852 PolarHBondContact O-N 2.73Å; F849-D852 PolarHBondContact O-N 3.26Å; F849-D852 VanDerWaalsContact O-N 3.14Å; G850-D852 VanDerWaalsContact C-N 3.35Å; D852-K854 VanDerWaalsContact C-N 3.32Å; D852-K855 PolarHBondContact O-N 3.32Å; D852-K855 IonicContact OD1-NZ 2.89Å; D852-K855 PolarHBondContact OD1-NZ 3.05Å; D852-L856 VanDerWaalsContact O-CB 3.25Å; D852-L856 WeakPolarHBondContact O-CB 3.39Å; D852-L856 WeakPolarHBondContact O-CD1 3.42Å; D852-L856 WeakPolarHBondContact O-CG 3.48Å; D852-L856 PolarHBondContact O-N 3.38Å
853L62Low70.2Confident34 Ų3469.7 Ų69.718%0.17835%0.354CS..Hα-helixtrans-63.1-41170.2-172.662.5000110.4F74 F849 L856 L858F74-L853 HydrophobicContact CZ-CD2 4.23Å; F849-L853 HydrophobicContact CE1-CD2 4.28Å; F849-L853 WeakPolarHBondContact O-CB 3.47Å; F849-L853 PolarHBondContact O-N 3.13Å; L853-L856 PolarHBondContact O-N 3.17Å; L853-L858 HydrophobicContact CD1-CD1 4.23Å; L853-L858 HydrophobicContact CD1-CG 4.38Å
854K61.1Low70.8Confident187 Ų18764.5 Ų64.581%0.81334%0.344SS*.Hα-helixtrans-66.9-35.9173.6-167.6168.9-176.9172.60113G850 S851 D852G850-K854 PolarHBondContact O-N 2.84Å; G850-K854 VanDerWaalsContact O-N 3.11Å; S851-K854 PolarHBondContact O-N 2.82Å; D852-K854 VanDerWaalsContact C-N 3.32Å
855K57.2Low71.2Confident142 Ų14260.7 Ų60.762%0.61733%0.326SS*.Hα-helixtrans-72.6-27.7172.4-70.3168.4-141.7152.80113.6S851 D852 G857S851-K855 VanDerWaalsContact O-CG 3.26Å; S851-K855 WeakPolarHBondContact O-CG 3.5Å; S851-K855 PolarHBondContact O-N 3.12Å; S851-K855 PolarHBondContact OG-NZ 2.74Å; D852-K855 PolarHBondContact O-N 3.32Å; D852-K855 IonicContact OD1-NZ 2.89Å; D852-K855 PolarHBondContact OD1-NZ 3.05Å; K855-G857 VanDerWaalsContact C-N 3.26Å; K855-G857 PolarHBondContact O-N 2.73Å
856L55.7Low71.9Confident50 Ų5063.7 Ų63.726%0.26235%0.346SS..Hα-helixtrans-73.3-19.3-174.6-88.5166.1000113.6K823 I827 D852 L853K823-L856 PolarHBondContact NZ-O 3.46Å; I827-L856 HydrophobicContact CG1-CD1 4.16Å; D852-L856 VanDerWaalsContact O-CB 3.25Å; D852-L856 WeakPolarHBondContact O-CB 3.39Å; D852-L856 WeakPolarHBondContact O-CD1 3.42Å; D852-L856 WeakPolarHBondContact O-CG 3.48Å; D852-L856 PolarHBondContact O-N 3.38Å; L853-L856 PolarHBondContact O-N 3.17Å
857G55.4Low72.7Confident45 Ų4563.7 Ų63.746%0.46435%0.349SS..  trans60.877.1176.100000111.8K855 P859K855-G857 VanDerWaalsContact C-N 3.26Å; K855-G857 PolarHBondContact O-N 2.73Å; G857-P859 WeakPolarHBondContact O-CD 3.45Å
858L59Low73.3Confident66 Ų6660.9 Ų60.935%0.34634%0.338SS..PPolyproline II helixtrans-59122.2164.1-69.7175.9000107.5P814 I827 L853 V860P814-L858 HydrophobicContact CB-CB 4.07Å; P814-L858 HydrophobicContact CB-CD1 4.05Å; I827-L858 HydrophobicContact CD1-CD2 4.22Å; L853-L858 HydrophobicContact CD1-CD1 4.23Å; L853-L858 HydrophobicContact CD1-CG 4.38Å; L858-V860 PolarHBondContact O-N 3.18Å
859P63.2Low74Confident15 Ų1557.3 Ų57.310%0.09732%0.322CS..PPolyproline II helixtrans-56.2131.8177.2-24.134.1000110.1G815 G857 M906G815-P859 PolarHBondContact N-O 3.27Å; G857-P859 WeakPolarHBondContact O-CD 3.45Å; P859-M906 HydrophobicContact CB-CE 4.25Å
860V71.1Confident75Confident24 Ų2456.5 Ų56.515%0.14532%0.318CS..EExtended strand (participates in β ladder)trans-72.3143.1165.3179.70000107.8E812 R813 L858 K905 M906E812-V860 HydrophobicContact CB-CG1 3.55Å; E812-V860 HydrophobicContact CG-CG1 3.65Å; R813-V860 CarbonylContact O-C 3.56Å; R813-V860 WeakPolarHBondContact O-CA 3.33Å; L858-V860 PolarHBondContact O-N 3.18Å; V860-K905 HydrophobicContact CG2-CB 4.26Å; V860-M906 HydrophobicContact CB-CB 4.18Å; V860-M906 HydrophobicContact CB-CE 4.47Å
861E78.8Confident76.4Confident99 Ų9956.2 Ų56.246%0.46331%0.307SS..EExtended strand (participates in β ladder)trans-132.5134.5176.6-174.6178.2161.700108.9R813 A863R813-E861 PolarHBondContact N-O 3.19Å; R813-E861 PolarHBondContact O-N 2.96Å; E861-A863 PolarHBondContact O-N 2.91Å
862H86.6Confident77.6Confident8 Ų854.1 Ų54.14%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-8281.1180-62.791.9000110.3Y810 P864 M906 E908 F941Y810-H862 HydrophobicContact CD1-CB 4.46Å; H862-P864 VanDerWaalsContact O-CD 3.3Å; H862-P864 WeakPolarHBondContact O-CD 3.36Å; H862-M906 WeakPolarHBondContact NE2-CB 3.37Å; H862-M906 PolarHBondContact NE2-O 2.97Å; H862-E908 WeakPolarHBondContact CE1-CG 3.45Å; H862-E908 IonicContact CE1-OE1 3.86Å; H862-E908 PolarHBondContact CE1-OE1 3.29Å; H862-E908 CovalentContact CE1-OE2 1.79Å; H862-E908 IonicContact CE1-OE2 3.85Å; H862-E908 PolarHBondContact CE1-OE2 2.95Å; H862-E908 IonicContact CG-OE2 2.9Å; H862-E908 VanDerWaalsContact ND1-CD 3.25Å; H862-E908 IonicContact ND1-OE2 3.25Å; H862-E908 PolarHBondContact ND1-OE2 2.88Å; H862-E908 IonicContact NE2-OE2 3.16Å; H862-F941 HydrophobicContact CB-CD1 4.43Å; H862-F941 HydrophobicContact CB-CD2 3.91Å; H862-F941 HydrophobicContact CB-CE1 4.13Å; H862-F941 HydrophobicContact CB-CE2 3.56Å; H862-F941 HydrophobicContact CB-CG 4.33Å; H862-F941 HydrophobicContact CB-CZ 3.68Å; H862-F941 AromaticContact CD2-CD1 3.59Å; H862-F941 AromaticContact CD2-CD2 3.92Å; H862-F941 AromaticContact CD2-CG 3.51Å; H862-F941 AromaticContact CE1-CD2 3.99Å; H862-F941 AromaticContact CG-CD2 3.57Å; H862-F941 AromaticContact CG-CE2 3.77Å; H862-F941 AromaticContact CG-CG 3.68Å; H862-F941 AromaticContact ND1-CD2 3.78Å
863A85.8Confident79Confident22 Ų2252.3 Ų52.318%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-72.8118.9-177.200000110.9K811 R813 E861K811-A863 PolarHBondContact N-O 3.12Å; K811-A863 PolarHBondContact O-N 3.36Å; R813-A863 HydrophobicContact CG-CB 4.29Å; E861-A863 PolarHBondContact O-N 2.91Å
864P90Very high80.5Confident89 Ų8951 Ų5158%0.57828%0.277SS*.EExtended strand (participates in β ladder)trans-66.7136.9172.925.7-32.3000110.8I808 Y810 H862I808-P864 HydrophobicContact CG2-CB 4.23Å; Y810-P864 HydrophobicContact CD1-CB 3.9Å; Y810-P864 HydrophobicContact CE1-CB 3.61Å; Y810-P864 HydrophobicContact CE1-CG 4.27Å; H862-P864 VanDerWaalsContact O-CD 3.3Å; H862-P864 WeakPolarHBondContact O-CD 3.36Å
865Q90.1Very high81.9Confident53 Ų5346.6 Ų46.625%0.24826%0.26CS..EExtended strand (participates in β ladder)trans-118.4132.8166.1-53.6-146.9-7700108.2F809F809-Q865 HydrophobicContact CD1-CB 4.38Å; F809-Q865 WeakPolarHBondContact CD1-O 3.22Å; F809-Q865 HydrophobicContact CD2-CB 4.11Å; F809-Q865 HydrophobicContact CE1-CB 3.89Å; F809-Q865 HydrophobicContact CE2-CB 3.58Å; F809-Q865 HydrophobicContact CE2-CG 4.02Å; F809-Q865 HydrophobicContact CG-CB 4.48Å; F809-Q865 HydrophobicContact CZ-CB 3.46Å; F809-Q865 VanDerWaalsContact CZ-CB 3.46Å; F809-Q865 HydrophobicContact CZ-CG 4.28Å; F809-Q865 PolarHBondContact N-O 2.84Å; F809-Q865 PolarHBondContact O-N 3.42Å; F809-Q865 VanDerWaalsContact O-O 3.04Å
866S90.4Very high83.3Confident66 Ų6642.9 Ų42.946%0.46225%0.247SC..EExtended strand (participates in β ladder)trans-112.4132.6177.271.70000112.3Q806 Y807Q806-S866 VanDerWaalsContact OE1-CB 3.23Å; Q806-S866 PolarHBondContact OE1-OG 2.7Å; Y807-S866 CarbonylContact O-C 3.55Å; Y807-S866 WeakPolarHBondContact O-CA 3.42Å
867S92.7Very high84.8Confident45 Ų4542.4 Ų42.432%0.31524%0.242SC..EExtended strand (participates in β ladder)trans-106.7122.3173.3-172.30000109.1Q806 Y807 L869Q806-S867 CarbonylContact C-O 3.6Å; Q806-S867 VanDerWaalsContact CA-O 3.27Å; Q806-S867 WeakPolarHBondContact CA-O 3.44Å; Y807-S867 PolarHBondContact N-O 2.96Å; Y807-S867 PolarHBondContact O-N 3.07Å; S867-L869 PolarHBondContact O-N 2.95Å
868Q91.9Very high86.3Confident80 Ų8043.6 Ų43.637%0.37424%0.235SC..EExtended strand (participates in β ladder)trans-77.6109.8-178-64.7172.847.500109.5K804 Q806K804-Q868 HydrophobicContact CD-CG 4.08Å; K804-Q868 VanDerWaalsContact NZ-NE2 3.16Å; Q806-Q868 HydrophobicContact CG-CG 4.21Å
869L92.4Very high87.8Confident36 Ų3642.9 Ų42.919%0.18823%0.232CC..EExtended strand (participates in β ladder)trans-74.2-43.6-179.3-60.4176.2000110.5N737 L778 Y784 L805 S867N737-L869 PolarHBondContact ND2-O 3.33Å; L778-L869 HydrophobicContact CD2-CB 4.21Å; L778-L869 HydrophobicContact CD2-CD1 3.92Å; Y784-L869 HydrophobicContact CD1-CD1 3.75Å; Y784-L869 HydrophobicContact CD2-CD1 3.64Å; Y784-L869 HydrophobicContact CE1-CD1 3.67Å; Y784-L869 HydrophobicContact CE2-CD1 3.55Å; Y784-L869 HydrophobicContact CG-CD1 3.75Å; L805-L869 HydrophobicContact CG-CD1 4.35Å; L805-L869 WeakPolarHBondContact O-CB 3.39Å; L805-L869 PolarHBondContact O-N 3.35Å; S867-L869 PolarHBondContact O-N 2.95Å
870F91.9Very high89.1Confident5 Ų542.2 Ų42.22%0.02223%0.227CC..EExtended strand (participates in β ladder)trans-157.5161.4162.343-116.9000111.2L733 V763 L765 L778 K804 L805 I872L733-F870 HydrophobicContact CD1-CB 3.8Å; V763-F870 HydrophobicContact CB-CZ 4.41Å; V763-F870 HydrophobicContact CG1-CZ 4Å; L765-F870 HydrophobicContact CD1-CD1 4.08Å; L765-F870 HydrophobicContact CD1-CE1 4.24Å; L778-F870 HydrophobicContact CB-CE1 4.11Å; L778-F870 HydrophobicContact CD2-CD1 4.24Å; L778-F870 HydrophobicContact CD2-CE1 3.48Å; L778-F870 VanDerWaalsContact CD2-CE1 3.48Å; L778-F870 HydrophobicContact CD2-CZ 3.94Å; L778-F870 HydrophobicContact CG-CE1 4.45Å; K804-F870 WeakPolarHBondContact CA-O 3.47Å; L805-F870 HydrophobicContact CB-CD2 3.92Å; L805-F870 HydrophobicContact CB-CE2 3.5Å; L805-F870 HydrophobicContact CB-CZ 4.1Å; L805-F870 HydrophobicContact CD2-CE1 4.27Å; L805-F870 HydrophobicContact CD2-CE2 3.82Å; L805-F870 HydrophobicContact CD2-CZ 3.52Å; L805-F870 HydrophobicContact CG-CE2 4.34Å; L805-F870 HydrophobicContact CG-CZ 4.48Å; L805-F870 PolarHBondContact N-O 2.98Å; F870-I872 HydrophobicContact CD2-CD1 3.56Å; F870-I872 HydrophobicContact CD2-CG1 3.74Å; F870-I872 HydrophobicContact CE2-CD1 3.43Å; F870-I872 VanDerWaalsContact CE2-CD1 3.43Å; F870-I872 HydrophobicContact CE2-CG1 4.13Å; F870-I872 HydrophobicContact CG-CD1 4.4Å; F870-I872 HydrophobicContact CG-CG1 4.48Å; F870-I872 HydrophobicContact CZ-CD1 4.19Å
871K94.7Very high90Very high30 Ų3042.5 Ų42.513%0.1323%0.227CC..EExtended strand (participates in β ladder)trans-115118.9167.8-175.4174.4-176.6179.20109.9R734 W747 T802 K804R734-K871 HydrophobicContact CB-CB 4.13Å; R734-K871 PolarHBondContact N-O 2.74Å; W747-K871 HydrophobicContact CH2-CD 4.4Å; W747-K871 HydrophobicContact CH2-CG 4.39Å; T802-K871 WeakPolarHBondContact OG1-CE 3.48Å; T802-K871 PolarHBondContact OG1-NZ 2.68Å; K804-K871 HydrophobicContact CG-CB 4.28Å; K804-K871 HydrophobicContact CG-CD 4.26Å; K804-K871 HydrophobicContact CG-CG 4.04Å
872I94.9Very high90.5Very high2 Ų239.9 Ų39.91%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-109.9155.2178.6-61.5174.7000109M731 Q732 L733 V752 L765 T802 M803 F870 M880 F883M731-I872 HydrophobicContact CB-CG2 3.57Å; M731-I872 HydrophobicContact CG-CG2 4.13Å; M731-I872 HydrophobicContact SD-CG2 3.44Å; M731-I872 WeakPolarHBondContact SD-CG2 3.47Å; Q732-I872 CarbonylContact O-C 3.57Å; Q732-I872 VanDerWaalsContact O-CA 3.28Å; Q732-I872 WeakPolarHBondContact O-CA 3.16Å; L733-I872 HydrophobicContact CD1-CG1 4.15Å; V752-I872 HydrophobicContact CG2-CD1 4.17Å; L765-I872 HydrophobicContact CD2-CD1 4.23Å; T802-I872 WeakPolarHBondContact CA-O 3.49Å; M803-I872 PolarHBondContact N-O 3.34Å; M803-I872 PolarHBondContact O-N 2.83Å; M803-I872 VanDerWaalsContact O-O 3.11Å; F870-I872 HydrophobicContact CD2-CD1 3.56Å; F870-I872 HydrophobicContact CD2-CG1 3.74Å; F870-I872 HydrophobicContact CE2-CD1 3.43Å; F870-I872 VanDerWaalsContact CE2-CD1 3.43Å; F870-I872 HydrophobicContact CE2-CG1 4.13Å; F870-I872 HydrophobicContact CG-CD1 4.4Å; F870-I872 HydrophobicContact CG-CG1 4.48Å; F870-I872 HydrophobicContact CZ-CD1 4.19Å; I872-M880 HydrophobicContact CG2-CE 4.47Å; I872-F883 HydrophobicContact CD1-CE1 4.16Å; I872-F883 HydrophobicContact CD1-CZ 4.45Å
873G94.7Very high90.7Very high0 Ų039.7 Ų39.70%021%0.213CC..EExtended strand (participates in β ladder)trans-144.8158.3172.200000114.2M731 Q732 F801 M880M731-G873 CarbonylContact C-O 3.58Å; M731-G873 WeakPolarHBondContact CB-O 3.32Å; Q732-G873 PolarHBondContact N-O 2.84Å; Q732-G873 PolarHBondContact O-N 2.93Å; F801-G873 CarbonylContact O-C 3.56Å; F801-G873 WeakPolarHBondContact O-CA 3.42Å; G873-M880 VanDerWaalsContact C-CE 3.45Å
874S93.7Very high91Very high8 Ų839.2 Ų39.26%0.05621%0.209CC..EExtended strand (participates in β ladder)trans-137.7155.9174.2-176.50000111.2I800 F801 N876 M880I800-S874 WeakPolarHBondContact CG1-O 3.4Å; F801-S874 PolarHBondContact N-O 3.49Å; F801-S874 PolarHBondContact O-N 2.94Å; S874-N876 VanDerWaalsContact C-N 3.31Å; S874-N876 PolarHBondContact OG-N 3.07Å; S874-N876 VanDerWaalsContact OG-N 3.16Å; S874-M880 VanDerWaalsContact N-CE 3.31Å
875M88.9Confident91Very high93 Ų9336.1 Ų36.146%0.45819%0.188SC..SBendtrans-74.3-25170-60.6-7093.400111.8Y794 I800Y794-M875 HydrophobicContact CD1-CE 4Å; Y794-M875 HydrophobicContact CD1-SD 4.34Å; Y794-M875 HydrophobicContact CD2-CE 4.38Å; Y794-M875 HydrophobicContact CE1-CE 4.32Å; Y794-M875 HydrophobicContact CE1-SD 4.42Å; Y794-M875 HydrophobicContact CG-CE 4.04Å; I800-M875 HydrophobicContact CB-CE 3.55Å; I800-M875 HydrophobicContact CD1-CE 3.86Å; I800-M875 HydrophobicContact CG1-CE 3.59Å
876N87.9Confident91.1Very high65 Ų6534.6 Ų34.635%0.34818%0.183SC..  trans-98.6136.9179.4-172.84.7000110.5S874 E878 D879S874-N876 VanDerWaalsContact C-N 3.31Å; S874-N876 PolarHBondContact OG-N 3.07Å; S874-N876 VanDerWaalsContact OG-N 3.16Å; N876-E878 PolarHBondContact OD1-N 3Å; N876-D879 HydrophobicContact CB-CB 4.18Å; N876-D879 WeakPolarHBondContact CB-OD2 3.29Å; N876-D879 PolarHBondContact ND2-OD1 2.9Å; N876-D879 PolarHBondContact ND2-OD2 2.96Å
877Y87.7Confident91.2Very high39 Ų3931.5 Ų31.515%0.15316%0.162CC..Hα-helixtrans-73.8-40.4174.6179.8-97.8000111.5I789 F801 M880 K881 H1129 E1175I789-Y877 HydrophobicContact CD1-CE2 4.41Å; I789-Y877 HydrophobicContact CG2-CD2 4.36Å; I789-Y877 HydrophobicContact CG2-CE2 4.23Å; F801-Y877 AromaticContact CD1-CD2 3.87Å; F801-Y877 HydrophobicContact CD1-CD2 3.87Å; F801-Y877 AromaticContact CE1-CD2 3.78Å; F801-Y877 HydrophobicContact CE1-CD2 3.78Å; F801-Y877 HydrophobicContact CE1-CG 4.46Å; F801-Y877 HydrophobicContact CG-CD2 4.35Å; F801-Y877 HydrophobicContact CZ-CD2 4.2Å; F801-Y877 HydrophobicContact CZ-CG 4.44Å; Y877-M880 PolarHBondContact O-N 3.44Å; Y877-K881 HydrophobicContact CE1-CB 4.49Å; Y877-K881 HydrophobicContact CE1-CD 3.79Å; Y877-K881 PolarHBondContact O-N 3.16Å; Y877-H1129 AromaticContact CD2-CE1 3.84Å; Y877-E1175 PolarHBondContact OH-OE1 2.96Å
878E86.7Confident91.1Very high71 Ų7131.6 Ų31.633%0.33216%0.157SC..Hα-helixtrans-71.2-38.6-174.3-58.4-54.9150.200112N876 M880 K881 Q882N876-E878 PolarHBondContact OD1-N 3Å; E878-M880 VanDerWaalsContact C-N 3.26Å; E878-M880 PolarHBondContact O-N 3.08Å; E878-K881 PolarHBondContact O-N 3.01Å; E878-K881 VanDerWaalsContact O-N 3.15Å; E878-Q882 WeakPolarHBondContact O-CB 3.36Å; E878-Q882 VanDerWaalsContact O-CG 3.31Å; E878-Q882 WeakPolarHBondContact O-CG 3.43Å; E878-Q882 PolarHBondContact O-N 3.36Å
879D89.1Confident91.1Very high51 Ų5128.8 Ų28.827%0.27314%0.144SC..Hα-helixtrans-61.6-36.6174.4-58.5-24.6000111.8N876 F883N876-D879 HydrophobicContact CB-CB 4.18Å; N876-D879 WeakPolarHBondContact CB-OD2 3.29Å; N876-D879 PolarHBondContact ND2-OD1 2.9Å; N876-D879 PolarHBondContact ND2-OD2 2.96Å; D879-F883 VanDerWaalsContact O-CB 3.3Å; D879-F883 WeakPolarHBondContact O-CB 3.13Å; D879-F883 PolarHBondContact O-N 2.64Å
880M90.7Very high91Very high0 Ų027.7 Ų27.70%014%0.14CC..Hα-helixtrans-70.2-38.8175.7-169.460.465.900111.6M731 I789 M803 I872 G873 S874 Y877 E878 F883 S884M731-M880 HydrophobicContact CE-CE 4.37Å; M731-M880 HydrophobicContact CE-SD 4.47Å; M731-M880 HydrophobicContact SD-CE 3.99Å; M731-M880 HydrophobicContact SD-SD 4.47Å; I789-M880 HydrophobicContact CD1-CB 4.23Å; I789-M880 HydrophobicContact CD1-CG 3.81Å; I789-M880 HydrophobicContact CG1-CG 3.93Å; I789-M880 HydrophobicContact CG2-CG 3.92Å; M803-M880 HydrophobicContact CB-CE 4.48Å; M803-M880 HydrophobicContact CB-CG 4.23Å; M803-M880 HydrophobicContact CB-SD 3.43Å; M803-M880 WeakPolarHBondContact CB-SD 3.27Å; M803-M880 HydrophobicContact CE-SD 4.27Å; M803-M880 HydrophobicContact CG-SD 4.28Å; M803-M880 HydrophobicContact SD-CG 4.39Å; M803-M880 HydrophobicContact SD-SD 3.86Å; I872-M880 HydrophobicContact CG2-CE 4.47Å; G873-M880 VanDerWaalsContact C-CE 3.45Å; S874-M880 VanDerWaalsContact N-CE 3.31Å; Y877-M880 PolarHBondContact O-N 3.44Å; E878-M880 VanDerWaalsContact C-N 3.26Å; E878-M880 PolarHBondContact O-N 3.08Å; M880-F883 PolarHBondContact O-N 2.69Å; M880-F883 HydrophobicContact SD-CD1 4.47Å; M880-S884 WeakPolarHBondContact O-CB 3.49Å; M880-S884 PolarHBondContact O-N 3.18Å
881K89.5Confident91Very high30 Ų3028.6 Ų28.613%0.1315%0.145CC..Hα-helixtrans-68.2-43.1176.6-174.8165.9177.5169.70112L722 I789 Y877 E878 S884 V885 E1175 E1213L722-K881 HydrophobicContact CD1-CG 4.19Å; I789-K881 HydrophobicContact CD1-CB 4.22Å; Y877-K881 HydrophobicContact CE1-CB 4.49Å; Y877-K881 HydrophobicContact CE1-CD 3.79Å; Y877-K881 PolarHBondContact O-N 3.16Å; E878-K881 PolarHBondContact O-N 3.01Å; E878-K881 VanDerWaalsContact O-N 3.15Å; K881-S884 PolarHBondContact O-N 3.35Å; K881-V885 WeakPolarHBondContact O-CG2 3.44Å; K881-V885 PolarHBondContact O-N 3.28Å; K881-E1175 IonicContact NZ-OE1 3.35Å; K881-E1213 WeakPolarHBondContact CE-OE1 3.46Å; K881-E1213 IonicContact NZ-OE1 3.7Å; K881-E1213 PolarHBondContact NZ-OE1 2.93Å; K881-E1213 IonicContact NZ-OE2 3.58Å; K881-E1213 PolarHBondContact NZ-OE2 3.28Å
882Q89.5Confident90.9Very high45 Ų4527.7 Ų27.721%0.2114%0.141CC..Hα-helixtrans-57.1-51.3170.7-73.6176.614.800111.1L722 E878 S884 V885 C886L722-Q882 HydrophobicContact CB-CG 4.25Å; L722-Q882 HydrophobicContact CD1-CG 4.09Å; L722-Q882 HydrophobicContact CD2-CG 4Å; L722-Q882 HydrophobicContact CG-CG 4.34Å; E878-Q882 WeakPolarHBondContact O-CB 3.36Å; E878-Q882 VanDerWaalsContact O-CG 3.31Å; E878-Q882 WeakPolarHBondContact O-CG 3.43Å; E878-Q882 PolarHBondContact O-N 3.36Å; Q882-S884 PolarHBondContact O-N 3.48Å; Q882-V885 PolarHBondContact O-N 2.96Å; Q882-C886 PolarHBondContact O-N 3.19Å; Q882-C886 PolarHBondContact O-SG 2.89Å
883F91.7Very high90.7Very high3 Ų334.2 Ų34.21%0.01317%0.17CC..Hα-helixtrans-62.1-41.8179.6179.7-123.9000112.6W729 M731 V752 V763 M803 I872 D879 M880 V885 C886 I887W729-F883 HydrophobicContact CD2-CB 4.21Å; W729-F883 HydrophobicContact CD2-CD2 4.07Å; W729-F883 HydrophobicContact CD2-CG 4.44Å; W729-F883 AromaticContact CE3-CD2 3.62Å; W729-F883 HydrophobicContact CE3-CD2 3.62Å; W729-F883 HydrophobicContact CE3-CE2 4.21Å; W729-F883 HydrophobicContact CE3-CG 4.4Å; W729-F883 AromaticContact CH2-CD2 3.9Å; W729-F883 HydrophobicContact CH2-CD2 3.9Å; W729-F883 HydrophobicContact CZ2-CB 4.32Å; W729-F883 HydrophobicContact CZ2-CD2 4.28Å; W729-F883 AromaticContact CZ3-CD2 3.55Å; W729-F883 HydrophobicContact CZ3-CD2 3.55Å; W729-F883 HydrophobicContact CZ3-CE2 4.06Å; M731-F883 HydrophobicContact CE-CB 3.53Å; M731-F883 HydrophobicContact CE-CD1 3.84Å; M731-F883 HydrophobicContact CE-CG 3.81Å; M731-F883 HydrophobicContact SD-CD1 3.94Å; M731-F883 HydrophobicContact SD-CE1 4.42Å; M731-F883 HydrophobicContact SD-CG 4.41Å; V752-F883 HydrophobicContact CG1-CD2 4.4Å; V752-F883 HydrophobicContact CG1-CE1 4.44Å; V752-F883 HydrophobicContact CG1-CE2 3.58Å; V752-F883 HydrophobicContact CG1-CZ 3.62Å; V763-F883 HydrophobicContact CG1-CZ 4.41Å; M803-F883 HydrophobicContact CE-CD1 3.35Å; M803-F883 HydrophobicContact CE-CE1 3.47Å; M803-F883 VanDerWaalsContact CE-CE1 3.47Å; M803-F883 HydrophobicContact CE-CG 4.35Å; I872-F883 HydrophobicContact CD1-CE1 4.16Å; I872-F883 HydrophobicContact CD1-CZ 4.45Å; D879-F883 VanDerWaalsContact O-CB 3.3Å; D879-F883 WeakPolarHBondContact O-CB 3.13Å; D879-F883 PolarHBondContact O-N 2.64Å; M880-F883 PolarHBondContact O-N 2.69Å; M880-F883 HydrophobicContact SD-CD1 4.47Å; F883-V885 PolarHBondContact O-N 3.43Å; F883-C886 PolarHBondContact O-N 3.31Å; F883-I887 HydrophobicContact CD2-CG1 4.06Å; F883-I887 HydrophobicContact CE1-CG1 4.45Å; F883-I887 HydrophobicContact CE2-CD1 3.72Å; F883-I887 HydrophobicContact CE2-CG1 3.64Å; F883-I887 HydrophobicContact CZ-CD1 4.01Å; F883-I887 HydrophobicContact CZ-CG1 3.84Å; F883-I887 WeakPolarHBondContact O-CG1 3.28Å; F883-I887 PolarHBondContact O-N 3.19Å
884S92Very high90.5Very high13 Ų1334.9 Ų34.99%0.09117%0.173CC..Hα-helixtrans-54.5-51172.6-166.50000111.3V786 M880 K881 Q882 I887 E888V786-S884 WeakPolarHBondContact CG1-OG 3.34Å; M880-S884 WeakPolarHBondContact O-CB 3.49Å; M880-S884 PolarHBondContact O-N 3.18Å; K881-S884 PolarHBondContact O-N 3.35Å; Q882-S884 PolarHBondContact O-N 3.48Å; S884-I887 PolarHBondContact O-N 2.86Å; S884-E888 WeakPolarHBondContact O-CG 3.38Å; S884-E888 PolarHBondContact O-N 2.97Å; S884-E888 PolarHBondContact OG-OE1 3.32Å
885V90.2Very high90.3Very high23 Ų2339.2 Ų39.214%0.13920%0.201CC..Hα-helixtrans-62.1-46.2178.9168.60000111.2P720 L722 K881 Q882 F883 I887 E888 E889P720-V885 HydrophobicContact CB-CG1 3.51Å; P720-V885 HydrophobicContact CG-CG1 3.5Å; P720-V885 VanDerWaalsContact CG-CG1 3.5Å; L722-V885 HydrophobicContact CD1-CG2 4.43Å; K881-V885 WeakPolarHBondContact O-CG2 3.44Å; K881-V885 PolarHBondContact O-N 3.28Å; Q882-V885 PolarHBondContact O-N 2.96Å; F883-V885 PolarHBondContact O-N 3.43Å; V885-I887 VanDerWaalsContact C-N 3.28Å; V885-I887 PolarHBondContact O-N 3.39Å; V885-E888 PolarHBondContact O-N 2.84Å; V885-E889 HydrophobicContact CG1-CG 4.08Å; V885-E889 WeakPolarHBondContact O-CB 3.38Å; V885-E889 VanDerWaalsContact O-CG 3.26Å; V885-E889 WeakPolarHBondContact O-CG 3.27Å; V885-E889 PolarHBondContact O-N 3.25Å
886C91.2Very high90.2Very high22 Ų2235.3 Ų35.315%0.14918%0.183CC..Hα-helixtrans-61.2-34.4178.3-67.20000113.1W729 L754 Q882 F883 A890W729-C886 HydrophobicContact CH2-CB 3.92Å; W729-C886 HydrophobicContact CZ2-CB 4.2Å; L754-C886 HydrophobicContact CD2-CB 4.1Å; Q882-C886 PolarHBondContact O-N 3.19Å; Q882-C886 PolarHBondContact O-SG 2.89Å; F883-C886 PolarHBondContact O-N 3.31Å; C886-A890 WeakPolarHBondContact O-CB 3.26Å; C886-A890 PolarHBondContact O-N 2.77Å; C886-A890 VanDerWaalsContact O-N 3.09Å
887I92.5Very high89.9Confident1 Ų138.4 Ų38.41%0.00520%0.199CC..Hα-helixtrans-72.7-41.5174.5-64.2-66.6000111.4L754 V763 L780 V786 L805 F883 S884 V885 A890 L891L754-I887 HydrophobicContact CD1-CD1 4.07Å; L754-I887 HydrophobicContact CD2-CD1 4.35Å; V763-I887 HydrophobicContact CG2-CD1 3.51Å; L780-I887 HydrophobicContact CD1-CD1 4.07Å; L780-I887 HydrophobicContact CD1-CG2 4.34Å; V786-I887 HydrophobicContact CG2-CB 4.11Å; V786-I887 HydrophobicContact CG2-CG2 3.51Å; L805-I887 HydrophobicContact CD1-CG2 4.14Å; F883-I887 HydrophobicContact CD2-CG1 4.06Å; F883-I887 HydrophobicContact CE1-CG1 4.45Å; F883-I887 HydrophobicContact CE2-CD1 3.72Å; F883-I887 HydrophobicContact CE2-CG1 3.64Å; F883-I887 HydrophobicContact CZ-CD1 4.01Å; F883-I887 HydrophobicContact CZ-CG1 3.84Å; F883-I887 WeakPolarHBondContact O-CG1 3.28Å; F883-I887 PolarHBondContact O-N 3.19Å; S884-I887 PolarHBondContact O-N 2.86Å; V885-I887 VanDerWaalsContact C-N 3.28Å; V885-I887 PolarHBondContact O-N 3.39Å; I887-A890 PolarHBondContact O-N 2.7Å; I887-L891 HydrophobicContact CG2-CD1 3.91Å; I887-L891 HydrophobicContact CG2-CG 4.32Å; I887-L891 WeakPolarHBondContact O-CB 3.3Å; I887-L891 VanDerWaalsContact O-CG 3.26Å; I887-L891 WeakPolarHBondContact O-CG 3.39Å; I887-L891 PolarHBondContact O-N 2.97Å
888E92Very high89.8Confident46 Ų4637 Ų3722%0.21519%0.193CC..Hα-helixtrans-63.3-43.5175-72.3178-144.900112.3V786 S884 V885 A890 L891 F892 R935V786-E888 HydrophobicContact CG2-CG 4.45Å; S884-E888 WeakPolarHBondContact O-CG 3.38Å; S884-E888 PolarHBondContact O-N 2.97Å; S884-E888 PolarHBondContact OG-OE1 3.32Å; V885-E888 PolarHBondContact O-N 2.84Å; E888-A890 VanDerWaalsContact C-N 3.26Å; E888-A890 PolarHBondContact O-N 2.92Å; E888-L891 PolarHBondContact O-N 2.93Å; E888-F892 PolarHBondContact O-N 3.24Å; E888-R935 IonicContact OE2-CZ 2.83Å; E888-R935 VanDerWaalsContact OE2-CZ 3.24Å; E888-R935 IonicContact OE2-NH1 3.44Å; E888-R935 PolarHBondContact OE2-NH1 2.84Å; E888-R935 IonicContact OE2-NH2 3.81Å; E888-R935 PolarHBondContact OE2-NH2 2.89Å
889E90.5Very high89.5Confident21 Ų2139.9 Ų39.910%0.09821%0.207CC..Hα-helixtrans-64.1-29.6175.1-70.9-59140.800112.9P720 V885 K893 R933 R1013P720-E889 WeakPolarHBondContact CD-OE1 3.11Å; P720-E889 HydrophobicContact CG-CG 3.83Å; V885-E889 HydrophobicContact CG1-CG 4.08Å; V885-E889 WeakPolarHBondContact O-CB 3.38Å; V885-E889 VanDerWaalsContact O-CG 3.26Å; V885-E889 WeakPolarHBondContact O-CG 3.27Å; V885-E889 PolarHBondContact O-N 3.25Å; E889-K893 WeakPolarHBondContact O-CD 3.36Å; E889-K893 WeakPolarHBondContact O-CG 3.33Å; E889-R933 IonicContact OE1-CZ 2.81Å; E889-R933 IonicContact OE1-NH1 3.3Å; E889-R933 PolarHBondContact OE1-NH1 3.01Å; E889-R933 IonicContact OE1-NH2 3.2Å; E889-R1013 IonicContact OE1-CZ 3.31Å; E889-R1013 IonicContact OE1-NH1 3.26Å; E889-R1013 PolarHBondContact OE1-NH1 2.85Å; E889-R1013 IonicContact OE1-NH2 3.62Å; E889-R1013 IonicContact OE2-CZ 3.12Å; E889-R1013 IonicContact OE2-NH1 3.03Å; E889-R1013 PolarHBondContact OE2-NH1 2.98Å; E889-R1013 IonicContact OE2-NH2 2.77Å; E889-R1013 PolarHBondContact OE2-NH2 2.91Å
890A91.1Very high89.2Confident13 Ų1344.2 Ų44.211%0.10722%0.22CC..Hα-helixtrans-72.5-50.5170.400000111.1L754 P761 L780 C886 I887 E888 F892 K893 I894L754-A890 HydrophobicContact CD2-CB 4.23Å; P761-A890 HydrophobicContact CB-CB 4.01Å; P761-A890 HydrophobicContact CG-CB 4.13Å; L780-A890 HydrophobicContact CD1-CB 3.91Å; C886-A890 WeakPolarHBondContact O-CB 3.26Å; C886-A890 PolarHBondContact O-N 2.77Å; C886-A890 VanDerWaalsContact O-N 3.09Å; I887-A890 PolarHBondContact O-N 2.7Å; E888-A890 VanDerWaalsContact C-N 3.26Å; E888-A890 PolarHBondContact O-N 2.92Å; A890-F892 VanDerWaalsContact C-N 3.31Å; A890-F892 PolarHBondContact O-N 3.01Å; A890-K893 PolarHBondContact O-N 2.82Å; A890-I894 WeakPolarHBondContact O-CG1 3.39Å; A890-I894 PolarHBondContact O-N 2.86Å
891L92.3Very high88.8Confident24 Ų2447 Ų4713%0.12624%0.242CC..Hα-helixtrans-56.4-41.4-178.8-72.8167.2000112.5L780 Q781 V786 I887 E888 K893 I894L780-L891 HydrophobicContact CB-CD2 4.2Å; Q781-L891 WeakPolarHBondContact O-CD2 3.29Å; V786-L891 HydrophobicContact CG2-CD1 4.44Å; I887-L891 HydrophobicContact CG2-CD1 3.91Å; I887-L891 HydrophobicContact CG2-CG 4.32Å; I887-L891 WeakPolarHBondContact O-CB 3.3Å; I887-L891 VanDerWaalsContact O-CG 3.26Å; I887-L891 WeakPolarHBondContact O-CG 3.39Å; I887-L891 PolarHBondContact O-N 2.97Å; E888-L891 PolarHBondContact O-N 2.93Å; L891-K893 PolarHBondContact O-N 3.14Å; L891-I894 HydrophobicContact CD2-CD1 4.03Å; L891-I894 PolarHBondContact O-N 2.92Å
892F92.6Very high88.6Confident11 Ų1149.1 Ų49.15%0.04826%0.255CS..THydrogen-bonded Turntrans-61.1-25.6175.8175-108.1000114.1E888 A890 E983 H985 E1010 R1013E888-F892 PolarHBondContact O-N 3.24Å; A890-F892 VanDerWaalsContact C-N 3.31Å; A890-F892 PolarHBondContact O-N 3.01Å; F892-E983 HydrophobicContact CE1-CB 4.15Å; F892-E983 HydrophobicContact CZ-CB 4.08Å; F892-H985 HydrophobicContact CD2-CB 4.37Å; F892-H985 HydrophobicContact CE2-CB 4.05Å; F892-H985 PolarHBondContact O-CD2 2.81Å; F892-E1010 HydrophobicContact CD2-CB 3.89Å; F892-E1010 HydrophobicContact CD2-CG 3.68Å; F892-E1010 WeakPolarHBondContact CD2-O 3.27Å; F892-E1010 HydrophobicContact CE2-CG 4.02Å; F892-R1013 HydrophobicContact CE1-CG 4.45Å; F892-R1013 VanDerWaalsContact CE1-CZ 3.44Å; F892-R1013 HydrophobicContact CE2-CG 4.45Å; F892-R1013 HydrophobicContact CZ-CG 4.03Å
893K90.1Very high88.4Confident140 Ų14052.7 Ų52.761%0.60928%0.28SS*.THydrogen-bonded Turntrans-95.6-8.4-176.5-65.7174.7-172.5175.80113.4E889 A890 L891E889-K893 WeakPolarHBondContact O-CD 3.36Å; E889-K893 WeakPolarHBondContact O-CG 3.33Å; A890-K893 PolarHBondContact O-N 2.82Å; L891-K893 PolarHBondContact O-N 3.14Å
894I90.6Very high88.2Confident13 Ų1355 Ų557%0.06729%0.289CS..SBendtrans-71.8131.4-179.7-57.6178.2000110P761 L780 P782 A890 L891 A896 H985P761-I894 HydrophobicContact CG-CD1 3.8Å; P761-I894 HydrophobicContact CG-CG1 3.69Å; L780-I894 HydrophobicContact CB-CD1 3.58Å; P782-I894 HydrophobicContact CG-CB 4.28Å; P782-I894 HydrophobicContact CG-CG2 3.75Å; A890-I894 WeakPolarHBondContact O-CG1 3.39Å; A890-I894 PolarHBondContact O-N 2.86Å; L891-I894 HydrophobicContact CD2-CD1 4.03Å; L891-I894 PolarHBondContact O-N 2.92Å; I894-A896 PolarHBondContact O-N 2.99Å; I894-A896 VanDerWaalsContact O-N 3.08Å; I894-H985 PolarHBondContact O-CE1 2.83Å
895P88.9Confident87.8Confident100 Ų10062.2 Ų62.265%0.64932%0.318SS*.  trans-59.6112.2169.4-24.935.6000112.2
896A86.6Confident87.6Confident10 Ų1063.3 Ų63.38%0.08332%0.323CS..  trans-101.8137169.200000109.9P782 I894 S986 V987 P1004P782-A896 HydrophobicContact CB-CB 3.82Å; P782-A896 HydrophobicContact CG-CB 3.8Å; I894-A896 PolarHBondContact O-N 2.99Å; I894-A896 VanDerWaalsContact O-N 3.08Å; A896-S986 PolarHBondContact N-OG 2.88Å; A896-V987 HydrophobicContact CB-CG1 4.21Å; A896-V987 VanDerWaalsContact O-CG1 3.27Å; A896-V987 WeakPolarHBondContact O-CG1 3.44Å; A896-P1004 HydrophobicContact CB-CB 4.09Å; A896-P1004 HydrophobicContact CB-CG 4.09Å
897L82.2Confident87.5Confident130 Ų13063.3 Ų63.368%0.68132%0.32SS*.  trans-143.5142.7179.3-177.163000110.7E899L897-E899 HydrophobicContact CD2-CG 4.42Å; L897-E899 PolarHBondContact O-N 2.71Å
898R84.9Confident87.5Confident10 Ų1063.6 Ų63.64%0.03832%0.322CS..  trans-82.288.5171.3-170.3-179.2-179.293.93.3109.1L942 G944 M945 D1005R898-L942 PolarHBondContact NH2-O 3.11Å; R898-G944 VanDerWaalsContact CZ-O 3.29Å; R898-G944 PolarHBondContact NE-O 2.93Å; R898-G944 PolarHBondContact NH2-O 2.84Å; R898-M945 HydrophobicContact CB-CE 4.12Å; R898-M945 HydrophobicContact CB-SD 4.5Å; R898-M945 HydrophobicContact CG-CE 4.04Å; R898-M945 HydrophobicContact CG-SD 3.77Å; R898-M945 WeakPolarHBondContact O-CE 3.03Å; R898-D1005 IonicContact CZ-OD1 3Å; R898-D1005 VanDerWaalsContact NH1-CG 3.35Å; R898-D1005 IonicContact NH1-OD1 3.54Å; R898-D1005 PolarHBondContact NH1-OD1 2.92Å; R898-D1005 IonicContact NH2-OD1 2.64Å; R898-D1005 PolarHBondContact NH2-OD1 3.02Å
899E80.4Confident87.5Confident132 Ų13261.4 Ų61.462%0.61731%0.312SS*.  trans-74.2-19.2-175.5-68.9-172.2166.700114.3M1 L897M1-E899 PolarHBondContact N-OE1 2.81Å; L897-E899 HydrophobicContact CD2-CG 4.42Å; L897-E899 PolarHBondContact O-N 2.71Å
900R83.5Confident87.7Confident142 Ų14262 Ų6254%0.53631%0.314SS..SBendtrans-139.6141.4-177.4-171.2-174.7-81.2-163.6-2.1110.9D8D8-R900 IonicContact OD2-NH1 3.6Å; D8-R900 IonicContact OD2-NH2 2.6Å
901A82.7Confident87.9Confident58 Ų5861.5 Ų61.548%0.47931%0.31SS..  trans-70.5124.8166.700000110.1M945A901-M945 HydrophobicContact CB-CG 4.04Å; A901-M945 HydrophobicContact CB-SD 4.31Å
902L84.6Confident88Confident75 Ų7560.9 Ų60.939%0.39331%0.307SS..BIsolated β-bridgetrans-116.3167179.2-73.1163.9000110.3Y904 T943 G944 D1005L902-Y904 HydrophobicContact CB-CE2 4.33Å; L902-T943 CarbonylContact O-C 3.59Å; L902-T943 VanDerWaalsContact O-CA 3.28Å; L902-T943 WeakPolarHBondContact O-CA 3.28Å; L902-G944 PolarHBondContact O-N 2.83Å; L902-D1005 HydrophobicContact CD1-CB 4.18Å; L902-D1005 WeakPolarHBondContact CD1-OD2 3.49Å
903T86.1Confident88.1Confident119 Ų11960.5 Ų60.573%0.7331%0.306SS*.  trans-130.7130.9-174.756.10000110.7T943T903-T943 HydrophobicContact CG2-CG2 3.82Å
904Y87.1Confident88.3Confident51 Ų5154.2 Ų54.220%0.228%0.279CS..  trans-116.4150.7-177.9-74.7-85.7000112L902 F941 T943 D1005L902-Y904 HydrophobicContact CB-CE2 4.33Å; Y904-F941 HydrophobicContact CD1-CB 3.82Å; Y904-F941 HydrophobicContact CD1-CD1 4.42Å; Y904-F941 HydrophobicContact CD2-CB 4.3Å; Y904-F941 HydrophobicContact CE1-CB 3.85Å; Y904-F941 AromaticContact CE1-CD1 3.68Å; Y904-F941 HydrophobicContact CE1-CD1 3.68Å; Y904-F941 HydrophobicContact CE1-CG 4.21Å; Y904-F941 HydrophobicContact CE2-CB 4.33Å; Y904-F941 HydrophobicContact CG-CB 4.05Å; Y904-F941 AromaticContact CZ-CD1 3.93Å; Y904-T943 PolarHBondContact N-OG1 2.86Å; Y904-D1005 WeakPolarHBondContact CE2-OD1 3.19Å; Y904-D1005 VanDerWaalsContact CE2-OD2 3.25Å; Y904-D1005 WeakPolarHBondContact CE2-OD2 3.36Å; Y904-D1005 VanDerWaalsContact CZ-OD2 3.3Å; Y904-D1005 PolarHBondContact OH-OD2 3.1Å
905K84.6Confident88.4Confident165 Ų16553.9 Ų53.972%0.71728%0.278SS*.SBendtrans-82.5-21.1175.8-61-175.3-168.573.80112.7E812 V860E812-K905 WeakPolarHBondContact OE1-CB 3.46Å; E812-K905 PolarHBondContact OE1-N 3.26Å; E812-K905 WeakPolarHBondContact OE2-CD 3.49Å; E812-K905 WeakPolarHBondContact OE2-CG 3.32Å; E812-K905 IonicContact OE2-NZ 3.6Å; E812-K905 PolarHBondContact OE2-NZ 2.85Å; V860-K905 HydrophobicContact CG2-CB 4.26Å
906M84.8Confident88.5Confident46 Ų4650.2 Ų50.223%0.22725%0.252CS..SBendtrans-141133.3170.4-179.4171.5-62.700107.1P859 V860 H862P859-M906 HydrophobicContact CB-CE 4.25Å; V860-M906 HydrophobicContact CB-CB 4.18Å; V860-M906 HydrophobicContact CB-CE 4.47Å; H862-M906 WeakPolarHBondContact NE2-CB 3.37Å; H862-M906 PolarHBondContact NE2-O 2.97Å
907E90Very high88.7Confident22 Ų2249.9 Ų49.910%0.10325%0.249CC..  trans-97.1131.4176.2-59.9-156.9169.800110.8F941 L942 T943 P1202 E1203E907-F941 VanDerWaalsContact CA-O 3.28Å; E907-F941 WeakPolarHBondContact CA-O 3.45Å; E907-L942 HydrophobicContact CB-CD2 4.07Å; E907-T943 WeakPolarHBondContact OE1-CA 3.42Å; E907-T943 WeakPolarHBondContact OE1-CB 3.34Å; E907-T943 PolarHBondContact OE1-N 2.82Å; E907-T943 PolarHBondContact OE1-OG1 2.75Å; E907-P1202 HydrophobicContact CB-CB 3.79Å; E907-P1202 CarbonylContact O-C 3.54Å; E907-P1202 WeakPolarHBondContact O-CA 3.13Å; E907-E1203 PolarHBondContact O-N 2.78Å
908E90.8Very high89.1Confident7 Ų744.2 Ų44.23%0.03322%0.22CC..EExtended strand (participates in β ladder)trans-146.5153.7176.172.9177.5-11100112.6H862 Q910 F941 E1203 Y1205H862-E908 WeakPolarHBondContact CE1-CG 3.45Å; H862-E908 IonicContact CE1-OE1 3.86Å; H862-E908 PolarHBondContact CE1-OE1 3.29Å; H862-E908 CovalentContact CE1-OE2 1.79Å; H862-E908 IonicContact CE1-OE2 3.85Å; H862-E908 PolarHBondContact CE1-OE2 2.95Å; H862-E908 IonicContact CG-OE2 2.9Å; H862-E908 VanDerWaalsContact ND1-CD 3.25Å; H862-E908 IonicContact ND1-OE2 3.25Å; H862-E908 PolarHBondContact ND1-OE2 2.88Å; H862-E908 IonicContact NE2-OE2 3.16Å; E908-Q910 PolarHBondContact OE1-NE2 2.83Å; E908-F941 HydrophobicContact CG-CB 4.44Å; E908-F941 HydrophobicContact CG-CD2 3.58Å; E908-F941 HydrophobicContact CG-CE2 4.35Å; E908-F941 HydrophobicContact CG-CG 4.47Å; E908-F941 PolarHBondContact N-O 2.71Å; E908-F941 PolarHBondContact O-N 2.72Å; E908-E1203 CarbonylContact C-O 3.59Å; E908-E1203 WeakPolarHBondContact CA-O 3.32Å; E908-E1203 HydrophobicContact CB-CB 4.28Å; E908-E1203 WeakPolarHBondContact CB-O 3.39Å; E908-Y1205 HydrophobicContact CB-CD2 4.46Å; E908-Y1205 HydrophobicContact CB-CE2 4.27Å
909V93.4Very high89.4Confident1 Ų143.8 Ų43.81%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-129.4128175175.40000109V911 F938 A940 L942 V1191 P1202 E1203 Y1205V909-V911 HydrophobicContact CG1-CG2 4.25Å; V909-F938 HydrophobicContact CG1-CD2 4.47Å; V909-F938 HydrophobicContact CG1-CE1 4.02Å; V909-F938 HydrophobicContact CG1-CE2 3.51Å; V909-F938 HydrophobicContact CG1-CZ 3.24Å; V909-A940 HydrophobicContact CG2-CB 4.46Å; V909-L942 HydrophobicContact CG2-CD1 4.1Å; V909-L942 HydrophobicContact CG2-CD2 3.93Å; V909-L942 HydrophobicContact CG2-CG 4.27Å; V909-V1191 HydrophobicContact CG1-CG1 4.15Å; V909-P1202 HydrophobicContact CG2-CB 4.5Å; V909-E1203 PolarHBondContact N-O 3.39Å; V909-Y1205 PolarHBondContact O-N 2.81Å
910Q94.4Very high90Very high33 Ų3339.1 Ų39.115%0.15420%0.196CC..EExtended strand (participates in β ladder)trans-114.6125.8175.1-49.2-169.414.500110.7E908 L939 Y1205E908-Q910 PolarHBondContact OE1-NE2 2.83Å; Q910-L939 HydrophobicContact CB-CB 4.35Å; Q910-L939 HydrophobicContact CG-CD2 4.49Å; Q910-L939 PolarHBondContact N-O 3.19Å; Q910-L939 PolarHBondContact O-N 2.83Å; Q910-Y1205 HydrophobicContact CG-CD2 4.48Å
911V95.2Very high90.4Very high3 Ų332.7 Ų32.72%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-115.8127.9174.7-167.60000109.1V909 L936 F937 F938 V1188 V1191 Y1205 V1206 R1207V909-V911 HydrophobicContact CG1-CG2 4.25Å; V911-L936 HydrophobicContact CG1-CD2 3.99Å; V911-F937 WeakPolarHBondContact CA-O 3.27Å; V911-F938 HydrophobicContact CG2-CD2 3.82Å; V911-F938 HydrophobicContact CG2-CE2 3.75Å; V911-V1188 HydrophobicContact CG1-CG2 4.01Å; V911-V1191 HydrophobicContact CG2-CG2 4.04Å; V911-Y1205 PolarHBondContact N-O 2.98Å; V911-V1206 CarbonylContact O-C 3.58Å; V911-V1206 VanDerWaalsContact O-CA 3.31Å; V911-V1206 WeakPolarHBondContact O-CA 3.41Å; V911-R1207 PolarHBondContact O-N 2.77Å
912T94.7Very high90.8Very high11 Ų1132.2 Ų32.27%0.06716%0.162CC..EExtended strand (participates in β ladder)trans-122.9112.8177.2-64.60000110.3V914 F937 R1207T912-V914 HydrophobicContact CG2-CG2 3.92Å; T912-F937 PolarHBondContact N-O 2.97Å; T912-F937 PolarHBondContact O-N 2.95Å; T912-R1207 HydrophobicContact CG2-CB 4.04Å; T912-R1207 HydrophobicContact CG2-CG 3.95Å
913A94.2Very high91.1Very high2 Ų232.4 Ų32.42%0.01716%0.159CC..EExtended strand (participates in β ladder)trans-88.8122.7170.300000109.8L936 R1207 Y1208 L1209A913-L936 HydrophobicContact CB-CD2 3.74Å; A913-R1207 PolarHBondContact N-O 2.89Å; A913-Y1208 HydrophobicContact CB-CD1 3.7Å; A913-Y1208 HydrophobicContact CB-CE1 4Å; A913-Y1208 WeakPolarHBondContact O-CA 3.29Å; A913-L1209 PolarHBondContact O-N 2.81Å
914V93.8Very high91.2Very high8 Ų833.6 Ų33.65%0.04816%0.156CC..EExtended strand (participates in β ladder)trans-115115.5173.8-172.70000108.9T912 E916 V934 R935 F937 L1209T912-V914 HydrophobicContact CG2-CG2 3.92Å; V914-E916 HydrophobicContact CG1-CG 4.36Å; V914-V934 WeakPolarHBondContact O-CA 3.48Å; V914-R935 PolarHBondContact N-O 2.89Å; V914-R935 PolarHBondContact O-N 2.69Å; V914-F937 HydrophobicContact CB-CE2 4.31Å; V914-F937 HydrophobicContact CG2-CD2 3.97Å; V914-F937 HydrophobicContact CG2-CE2 3.84Å; V914-L1209 CarbonylContact C-O 3.54Å; V914-L1209 WeakPolarHBondContact CA-O 3.42Å
915D93Very high91.1Very high6 Ų632.7 Ų32.73%0.03216%0.163CC..EExtended strand (participates in β ladder)trans-82124.1165.2-70.4-11.3000108.7I917 V1183 S1184 L1209 A1210 R1211D915-I917 HydrophobicContact CB-CD1 3.64Å; D915-I917 HydrophobicContact CB-CG1 4.44Å; D915-V1183 PolarHBondContact OD2-N 3Å; D915-S1184 VanDerWaalsContact CG-OG 3.23Å; D915-S1184 VanDerWaalsContact OD1-CB 3.25Å; D915-S1184 WeakPolarHBondContact OD1-CB 3.48Å; D915-S1184 PolarHBondContact OD1-OG 3.33Å; D915-S1184 PolarHBondContact OD2-N 2.64Å; D915-S1184 PolarHBondContact OD2-OG 3.2Å; D915-S1184 VanDerWaalsContact OD2-OG 3.14Å; D915-L1209 PolarHBondContact N-O 2.85Å; D915-A1210 HydrophobicContact CB-CB 4.03Å; D915-A1210 CarbonylContact O-C 3.57Å; D915-A1210 WeakPolarHBondContact O-CA 3.43Å; D915-R1211 PolarHBondContact O-N 3.35Å
916E91.7Very high91.2Very high24 Ų2431.3 Ų31.311%0.11216%0.157CC..EExtended strand (participates in β ladder)trans-106.5105.9170.3-64.7178.5159.500108.3F719 V914 A932 R933 R935F719-E916 WeakPolarHBondContact CE1-OE2 3.11Å; F719-E916 HydrophobicContact CZ-CB 4.36Å; V914-E916 HydrophobicContact CG1-CG 4.36Å; E916-A932 CarbonylContact O-C 3.56Å; E916-A932 VanDerWaalsContact O-CA 3.28Å; E916-A932 WeakPolarHBondContact O-CA 3.39Å; E916-R933 HydrophobicContact CB-CB 4.46Å; E916-R933 PolarHBondContact N-O 3.25Å; E916-R933 PolarHBondContact O-N 3.33Å; E916-R933 IonicContact OE1-NH2 2.98Å; E916-R933 IonicContact OE2-CZ 3.27Å; E916-R933 VanDerWaalsContact OE2-CZ 3.27Å; E916-R933 IonicContact OE2-NE 3.75Å; E916-R933 PolarHBondContact OE2-NE 3.48Å; E916-R933 IonicContact OE2-NH2 2.82Å; E916-R933 PolarHBondContact OE2-NH2 2.68Å; E916-R935 WeakPolarHBondContact OE1-CD 3.38Å; E916-R935 IonicContact OE1-CZ 3.33Å; E916-R935 IonicContact OE1-NE 3.94Å; E916-R935 IonicContact OE1-NH1 2.74Å; E916-R935 PolarHBondContact OE1-NH1 2.87Å; E916-R935 VanDerWaalsContact OE2-CD 3.3Å; E916-R935 WeakPolarHBondContact OE2-CD 3.26Å
917I90.4Very high91.3Very high3 Ų330.9 Ų30.92%0.01516%0.155CC..EExtended strand (participates in β ladder)trans-111.5126.6-177.9-49.895.4000110.2D915 V919 A932 V1183 A1210 R1211 E1213D915-I917 HydrophobicContact CB-CD1 3.64Å; D915-I917 HydrophobicContact CB-CG1 4.44Å; I917-V919 HydrophobicContact CG2-CG2 4.1Å; I917-A932 HydrophobicContact CG1-CB 4.3Å; I917-V1183 HydrophobicContact CD1-CB 3.91Å; I917-V1183 HydrophobicContact CD1-CG1 4.48Å; I917-V1183 HydrophobicContact CD1-CG2 3.75Å; I917-V1183 HydrophobicContact CG1-CB 3.98Å; I917-V1183 HydrophobicContact CG1-CG1 4.05Å; I917-V1183 HydrophobicContact CG1-CG2 4.22Å; I917-A1210 HydrophobicContact CD1-CB 3.93Å; I917-R1211 PolarHBondContact N-O 3.46Å; I917-E1213 PolarHBondContact O-N 3.26Å
918T91.2Very high91.2Very high11 Ų1134.6 Ų34.67%0.06718%0.175CC..EExtended strand (participates in β ladder)trans-114.1134.1169.2-41.20000110.5Q930 I931 E1213T918-Q930 WeakPolarHBondContact O-CA 3.4Å; T918-I931 PolarHBondContact N-O 3.09Å; T918-I931 PolarHBondContact O-N 3.08Å; T918-E1213 VanDerWaalsContact CA-O 3.27Å; T918-E1213 WeakPolarHBondContact CA-O 3.13Å; T918-E1213 HydrophobicContact CG2-CB 4.36Å; T918-E1213 WeakPolarHBondContact CG2-O 3.16Å
919V91.3Very high91Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-127.6135.8178-172.40000109.7I917 I927 K929 Q930 L1024 E1213 Y1214 K1215I917-V919 HydrophobicContact CG2-CG2 4.1Å; V919-I927 HydrophobicContact CG1-CG1 4.3Å; V919-I927 HydrophobicContact CG1-CG2 4.15Å; V919-K929 WeakPolarHBondContact CA-O 3.36Å; V919-Q930 HydrophobicContact CG2-CG 4.17Å; V919-L1024 HydrophobicContact CG1-CD1 4.2Å; V919-L1024 HydrophobicContact CG1-CD2 4.46Å; V919-L1024 HydrophobicContact CG2-CD2 4.13Å; V919-E1213 PolarHBondContact N-O 3.04Å; V919-Y1214 HydrophobicContact CB-CD1 3.53Å; V919-Y1214 HydrophobicContact CB-CE1 3.88Å; V919-Y1214 HydrophobicContact CB-CG 4.19Å; V919-Y1214 HydrophobicContact CG2-CD1 3.59Å; V919-Y1214 HydrophobicContact CG2-CE1 3.4Å; V919-Y1214 CarbonylContact O-C 3.59Å; V919-Y1214 WeakPolarHBondContact O-CA 3.28Å; V919-K1215 PolarHBondContact O-N 2.78Å
920E92.1Very high90.7Very high34 Ų3438.3 Ų38.316%0.15919%0.192CC..EExtended strand (participates in β ladder)trans-114.5120.2169.6-50.7-167.7141.200107.5R721 L928 K929 K1215R721-E920 IonicContact CZ-OE1 3.19Å; R721-E920 IonicContact NH1-OE1 2.79Å; R721-E920 PolarHBondContact NH1-OE1 2.69Å; R721-E920 IonicContact NH1-OE2 3.29Å; R721-E920 IonicContact NH2-OE1 2.7Å; R721-E920 PolarHBondContact NH2-OE1 2.92Å; E920-L928 WeakPolarHBondContact O-CB 3.36Å; E920-L928 PolarHBondContact O-N 2.94Å; E920-K929 HydrophobicContact CB-CB 4.25Å; E920-K929 PolarHBondContact N-O 3.48Å; E920-K929 PolarHBondContact O-N 3.22Å; E920-K929 WeakPolarHBondContact OE2-CD 3.46Å; E920-K929 VanDerWaalsContact OE2-CE 3.31Å; E920-K929 WeakPolarHBondContact OE2-CE 3.47Å; E920-K929 IonicContact OE2-NZ 2.74Å; E920-K929 PolarHBondContact OE2-NZ 2.76Å; E920-K1215 WeakPolarHBondContact CA-O 3.31Å; E920-K1215 HydrophobicContact CG-CB 4.36Å
921Q91.9Very high90.4Very high8 Ų837.5 Ų37.54%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-125136-168.4-169.7178.625.800109.4G925 K926 K1215 V1216 G1217Q921-G925 WeakPolarHBondContact CG-O 3.41Å; Q921-G925 PolarHBondContact NE2-O 3.29Å; Q921-K926 CarbonylContact C-O 3.57Å; Q921-K926 WeakPolarHBondContact CA-O 3.26Å; Q921-K1215 PolarHBondContact N-O 2.75Å; Q921-V1216 HydrophobicContact CB-CG1 4.46Å; Q921-V1216 HydrophobicContact CB-CG2 4.34Å; Q921-V1216 CarbonylContact O-C 3.58Å; Q921-V1216 WeakPolarHBondContact O-CA 3.39Å; Q921-G1217 PolarHBondContact O-N 3.49Å
922D91.4Very high90.1Very high48 Ų4837.5 Ų37.526%0.25719%0.188SC..  trans-77.5167.1177.3-147-14.2000111.9E924 G925 K926 L928D922-E924 PolarHBondContact O-N 3.13Å; D922-G925 WeakPolarHBondContact O-CA 3.36Å; D922-G925 PolarHBondContact O-N 3.48Å; D922-K926 HydrophobicContact CB-CB 4.37Å; D922-K926 PolarHBondContact N-O 3.06Å; D922-L928 HydrophobicContact CB-CD1 4Å; D922-L928 HydrophobicContact CB-CD2 4.05Å; D922-L928 HydrophobicContact CB-CG 3.98Å
923F91.5Very high90Very high79 Ų7937.4 Ų37.435%0.34619%0.187SC..THydrogen-bonded Turntrans-63.3-22.2-179.367.4-91.3000113.7G925 E1219F923-G925 PolarHBondContact O-N 2.92Å; F923-E1219 HydrophobicContact CB-CB 4.05Å; F923-E1219 HydrophobicContact CD2-CB 4.07Å; F923-E1219 HydrophobicContact CD2-CG 4.19Å; F923-E1219 HydrophobicContact CG-CB 4.34Å
924E88.5Confident89.9Confident143 Ų14337.3 Ų37.367%0.66819%0.186SC*.THydrogen-bonded Turntrans-75.4-9.8171.7-58.6-169.7151.200113.5D922D922-E924 PolarHBondContact O-N 3.13Å
925G83.9Confident89.9Confident33 Ų3337.1 Ų37.134%0.3419%0.185SC..SBendtrans89.60.7-172.600000114.4Q921 D922 F923Q921-G925 WeakPolarHBondContact CG-O 3.41Å; Q921-G925 PolarHBondContact NE2-O 3.29Å; D922-G925 WeakPolarHBondContact O-CA 3.36Å; D922-G925 PolarHBondContact O-N 3.48Å; F923-G925 PolarHBondContact O-N 2.92Å
926K86.7Confident90.1Very high136 Ų13636.9 Ų36.959%0.59118%0.183SC*.  trans-68.7129.9176.9-175.2179.3-179.5-178.30111.3Q921 D922 L928Q921-K926 CarbonylContact C-O 3.57Å; Q921-K926 WeakPolarHBondContact CA-O 3.26Å; D922-K926 HydrophobicContact CB-CB 4.37Å; D922-K926 PolarHBondContact N-O 3.06Å; K926-L928 PolarHBondContact O-N 2.99Å
927I88Confident90.2Very high37 Ų3737.1 Ų37.119%0.1918%0.184CC..EExtended strand (participates in β ladder)trans-69.7115.8171.3-61.2174.8000108.3V919 Q930 L1024V919-I927 HydrophobicContact CG1-CG1 4.3Å; V919-I927 HydrophobicContact CG1-CG2 4.15Å; I927-Q930 HydrophobicContact CG2-CB 3.99Å; I927-L1024 HydrophobicContact CD1-CD1 4.08Å; I927-L1024 HydrophobicContact CD1-CD2 3.89Å; I927-L1024 HydrophobicContact CD1-CG 3.99Å; I927-L1024 HydrophobicContact CG1-CD1 4.15Å
928L87.5Confident90.5Very high100 Ų10037.1 Ų37.152%0.52418%0.184SC..EExtended strand (participates in β ladder)trans-82.7-38.4173-61.9175.9000110.5E920 D922 K926E920-L928 WeakPolarHBondContact O-CB 3.36Å; E920-L928 PolarHBondContact O-N 2.94Å; D922-L928 HydrophobicContact CB-CD1 4Å; D922-L928 HydrophobicContact CB-CD2 4.05Å; D922-L928 HydrophobicContact CB-CG 3.98Å; K926-L928 PolarHBondContact O-N 2.99Å
929K86.7Confident90.6Very high55 Ų5536.6 Ų36.624%0.23918%0.181CC..EExtended strand (participates in β ladder)trans-158140.9-173.8160.4170.8151.7-179.40110.7E717 V919 E920E717-K929 WeakPolarHBondContact OE1-CE 3.5Å; E717-K929 IonicContact OE1-NZ 2.9Å; E717-K929 PolarHBondContact OE1-NZ 2.92Å; E717-K929 WeakPolarHBondContact OE2-CE 3.44Å; E717-K929 IonicContact OE2-NZ 3.27Å; E717-K929 PolarHBondContact OE2-NZ 2.93Å; V919-K929 WeakPolarHBondContact CA-O 3.36Å; E920-K929 HydrophobicContact CB-CB 4.25Å; E920-K929 PolarHBondContact N-O 3.48Å; E920-K929 PolarHBondContact O-N 3.22Å; E920-K929 WeakPolarHBondContact OE2-CD 3.46Å; E920-K929 VanDerWaalsContact OE2-CE 3.31Å; E920-K929 WeakPolarHBondContact OE2-CE 3.47Å; E920-K929 IonicContact OE2-NZ 2.74Å; E920-K929 PolarHBondContact OE2-NZ 2.76Å
930Q86.9Confident90.8Very high30 Ų3036.6 Ų36.614%0.1418%0.181CC..EExtended strand (participates in β ladder)trans-144.7127.9179.3179.4168.627.900109.1T918 V919 I927 P1018T918-Q930 WeakPolarHBondContact O-CA 3.4Å; V919-Q930 HydrophobicContact CG2-CG 4.17Å; I927-Q930 HydrophobicContact CG2-CB 3.99Å; Q930-P1018 HydrophobicContact CG-CB 3.99Å; Q930-P1018 HydrophobicContact CG-CG 4.05Å
931I88.3Confident90.8Very high16 Ų1635 Ų358%0.08217%0.173CC..EExtended strand (participates in β ladder)trans-135.6143.9-178.458.8-177000109.5E717 F719 R721 T918E717-I931 HydrophobicContact CB-CG2 4.5Å; F719-I931 HydrophobicContact CD2-CD1 3.9Å; F719-I931 HydrophobicContact CD2-CG1 4.44Å; F719-I931 HydrophobicContact CE2-CD1 3.93Å; F719-I931 HydrophobicContact CE2-CG1 4.24Å; R721-I931 HydrophobicContact CG-CD1 4.18Å; T918-I931 PolarHBondContact N-O 3.09Å; T918-I931 PolarHBondContact O-N 3.08Å
932A89.6Confident90.8Very high3 Ų334.6 Ų34.63%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-137.9133.6177.500000111.6E916 I917 R1015 V1016 P1018E916-A932 CarbonylContact O-C 3.56Å; E916-A932 VanDerWaalsContact O-CA 3.28Å; E916-A932 WeakPolarHBondContact O-CA 3.39Å; I917-A932 HydrophobicContact CG1-CB 4.3Å; A932-R1015 PolarHBondContact O-NH1 3.02Å; A932-V1016 HydrophobicContact CB-CG2 3.68Å; A932-V1016 PolarHBondContact O-N 2.95Å; A932-P1018 HydrophobicContact CB-CG 3.69Å
933R91.3Very high90.7Very high9 Ų933.3 Ų33.33%0.03417%0.165CC..EExtended strand (participates in β ladder)trans-111.5139.8165.6-179.7169.468.4170.12.9107.7F719 E889 E916 R935 F1014F719-R933 HydrophobicContact CD1-CB 3.82Å; F719-R933 HydrophobicContact CD1-CG 4.3Å; F719-R933 HydrophobicContact CE1-CB 3.76Å; F719-R933 HydrophobicContact CE1-CG 4.45Å; F719-R933 VanDerWaalsContact CE1-NE 3.34Å; F719-R933 HydrophobicContact CG-CB 4.37Å; F719-R933 HydrophobicContact CZ-CB 4.25Å; E889-R933 IonicContact OE1-CZ 2.81Å; E889-R933 IonicContact OE1-NH1 3.3Å; E889-R933 PolarHBondContact OE1-NH1 3.01Å; E889-R933 IonicContact OE1-NH2 3.2Å; E916-R933 HydrophobicContact CB-CB 4.46Å; E916-R933 PolarHBondContact N-O 3.25Å; E916-R933 PolarHBondContact O-N 3.33Å; E916-R933 IonicContact OE1-NH2 2.98Å; E916-R933 IonicContact OE2-CZ 3.27Å; E916-R933 VanDerWaalsContact OE2-CZ 3.27Å; E916-R933 IonicContact OE2-NE 3.75Å; E916-R933 PolarHBondContact OE2-NE 3.48Å; E916-R933 IonicContact OE2-NH2 2.82Å; E916-R933 PolarHBondContact OE2-NH2 2.68Å; R933-R935 HydrophobicContact CG-CG 4.13Å; R933-F1014 CarbonylContact C-O 3.54Å; R933-F1014 WeakPolarHBondContact CA-O 3.4Å
934V93.4Very high90.5Very high0 Ų029.7 Ų29.70%015%0.15CC..EExtended strand (participates in β ladder)trans-109.4131.7169.5-171.50000107.6V914 R1013 F1014 V1016 T1186V914-V934 WeakPolarHBondContact O-CA 3.48Å; V934-R1013 CarbonylContact O-C 3.55Å; V934-R1013 WeakPolarHBondContact O-CA 3.4Å; V934-R1013 WeakPolarHBondContact O-CB 3.4Å; V934-F1014 HydrophobicContact CB-CD1 4.19Å; V934-F1014 HydrophobicContact CB-CD2 4.11Å; V934-F1014 HydrophobicContact CB-CE1 3.78Å; V934-F1014 HydrophobicContact CB-CE2 3.68Å; V934-F1014 HydrophobicContact CB-CG 4.36Å; V934-F1014 HydrophobicContact CB-CZ 3.52Å; V934-F1014 HydrophobicContact CG1-CE1 3.87Å; V934-F1014 HydrophobicContact CG1-CE2 4.29Å; V934-F1014 HydrophobicContact CG1-CZ 3.66Å; V934-F1014 HydrophobicContact CG2-CD2 4.13Å; V934-F1014 HydrophobicContact CG2-CE2 3.54Å; V934-F1014 HydrophobicContact CG2-CZ 3.79Å; V934-F1014 PolarHBondContact N-O 2.72Å; V934-F1014 PolarHBondContact O-N 3.04Å; V934-V1016 HydrophobicContact CG2-CG1 4.39Å; V934-T1186 HydrophobicContact CG1-CG2 4.3Å
935R94.1Very high90.5Very high4 Ų426.2 Ų26.22%0.01514%0.135CC..EExtended strand (participates in β ladder)trans-119122.8177.5-58.2172.575.9-1771.6108.3E888 V914 E916 R933 F937 E1010 R1013E888-R935 IonicContact OE2-CZ 2.83Å; E888-R935 VanDerWaalsContact OE2-CZ 3.24Å; E888-R935 IonicContact OE2-NH1 3.44Å; E888-R935 PolarHBondContact OE2-NH1 2.84Å; E888-R935 IonicContact OE2-NH2 3.81Å; E888-R935 PolarHBondContact OE2-NH2 2.89Å; V914-R935 PolarHBondContact N-O 2.89Å; V914-R935 PolarHBondContact O-N 2.69Å; E916-R935 WeakPolarHBondContact OE1-CD 3.38Å; E916-R935 IonicContact OE1-CZ 3.33Å; E916-R935 IonicContact OE1-NE 3.94Å; E916-R935 IonicContact OE1-NH1 2.74Å; E916-R935 PolarHBondContact OE1-NH1 2.87Å; E916-R935 VanDerWaalsContact OE2-CD 3.3Å; E916-R935 WeakPolarHBondContact OE2-CD 3.26Å; R933-R935 HydrophobicContact CG-CG 4.13Å; R935-F937 HydrophobicContact CB-CD2 4.36Å; R935-F937 HydrophobicContact CB-CE2 3.69Å; R935-F937 HydrophobicContact CB-CZ 4.26Å; R935-E1010 VanDerWaalsContact CG-OE1 3.23Å; R935-E1010 WeakPolarHBondContact CG-OE1 3.29Å; R935-E1010 IonicContact CZ-OE1 2.73Å; R935-E1010 IonicContact CZ-OE2 2.69Å; R935-E1010 VanDerWaalsContact CZ-OE2 3.31Å; R935-E1010 IonicContact NE-OE1 3.53Å; R935-E1010 PolarHBondContact NE-OE1 2.88Å; R935-E1010 IonicContact NE-OE2 3.26Å; R935-E1010 PolarHBondContact NE-OE2 2.75Å; R935-E1010 VanDerWaalsContact NE-OE2 3.11Å; R935-E1010 IonicContact NH2-OE1 2.84Å; R935-E1010 IonicContact NH2-OE2 3.66Å; R935-E1010 PolarHBondContact NH2-OE2 3.14Å; R935-R1013 HydrophobicContact CG-CB 4.24Å
936L95.4Very high90.9Very high1 Ų124.6 Ų24.61%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-103.9108.5177.1-84.8164000108.9V911 A913 V952 L1011 L1012 F1014 V1188V911-L936 HydrophobicContact CG1-CD2 3.99Å; A913-L936 HydrophobicContact CB-CD2 3.74Å; L936-V952 HydrophobicContact CD1-CG2 4Å; L936-L1011 WeakPolarHBondContact O-CB 3.49Å; L936-L1011 PolarHBondContact O-N 3.36Å; L936-L1012 HydrophobicContact CB-CG 4.2Å; L936-L1012 HydrophobicContact CD1-CD1 4.1Å; L936-L1012 HydrophobicContact CD1-CD2 4.21Å; L936-L1012 HydrophobicContact CD1-CG 4.15Å; L936-L1012 PolarHBondContact N-O 2.56Å; L936-F1014 HydrophobicContact CD1-CE1 4.17Å; L936-V1188 HydrophobicContact CD2-CG2 4.07Å
937F95.4Very high91.2Very high30 Ų3019.4 Ų19.413%0.13210%0.098CC..EExtended strand (participates in β ladder)trans-90.9147.2173.8-61.9-95.2000110.9V911 T912 V914 R935 Y1008 I1009 E1010V911-F937 WeakPolarHBondContact CA-O 3.27Å; T912-F937 PolarHBondContact N-O 2.97Å; T912-F937 PolarHBondContact O-N 2.95Å; V914-F937 HydrophobicContact CB-CE2 4.31Å; V914-F937 HydrophobicContact CG2-CD2 3.97Å; V914-F937 HydrophobicContact CG2-CE2 3.84Å; R935-F937 HydrophobicContact CB-CD2 4.36Å; R935-F937 HydrophobicContact CB-CE2 3.69Å; R935-F937 HydrophobicContact CB-CZ 4.26Å; F937-Y1008 HydrophobicContact CB-CE1 3.74Å; F937-Y1008 HydrophobicContact CB-CE2 3.88Å; F937-Y1008 VanDerWaalsContact CB-OH 3.28Å; F937-Y1008 WeakPolarHBondContact CB-OH 3.43Å; F937-Y1008 HydrophobicContact CD1-CD1 4.04Å; F937-Y1008 AromaticContact CD1-CE1 3.34Å; F937-Y1008 HydrophobicContact CD1-CE1 3.34Å; F937-Y1008 AromaticContact CD1-CZ 3.88Å; F937-Y1008 HydrophobicContact CE1-CE1 4.06Å; F937-Y1008 AromaticContact CG-CE1 3.65Å; F937-Y1008 HydrophobicContact CG-CE1 3.65Å; F937-Y1008 AromaticContact CG-CZ 3.66Å; F937-Y1008 WeakPolarHBondContact CG-OH 3.32Å; F937-I1009 CarbonylContact C-O 3.6Å; F937-I1009 WeakPolarHBondContact CA-O 3.32Å; F937-E1010 HydrophobicContact CD1-CB 3.85Å; F937-E1010 HydrophobicContact CE1-CB 3.68Å; F937-E1010 HydrophobicContact CE1-CG 4.28Å; F937-E1010 HydrophobicContact CZ-CB 4.33Å; F937-E1010 HydrophobicContact CZ-CG 4.46Å
938F95.4Very high91.5Very high2 Ų217.7 Ų17.71%0.0099%0.089CC..EExtended strand (participates in β ladder)trans-136.7138.3-176.1-160.9-92000110.8V909 V911 A940 I948 F1001 P1003 I1009 L1011V909-F938 HydrophobicContact CG1-CD2 4.47Å; V909-F938 HydrophobicContact CG1-CE1 4.02Å; V909-F938 HydrophobicContact CG1-CE2 3.51Å; V909-F938 HydrophobicContact CG1-CZ 3.24Å; V911-F938 HydrophobicContact CG2-CD2 3.82Å; V911-F938 HydrophobicContact CG2-CE2 3.75Å; F938-A940 HydrophobicContact CD1-CB 4.49Å; F938-A940 HydrophobicContact CE1-CB 3.89Å; F938-I948 HydrophobicContact CE1-CD1 3.69Å; F938-I948 HydrophobicContact CZ-CD1 3.57Å; F938-I948 HydrophobicContact CZ-CG2 4.02Å; F938-F1001 AromaticContact CD1-CE2 3.61Å; F938-F1001 HydrophobicContact CD1-CE2 3.61Å; F938-F1001 AromaticContact CD1-CZ 3.86Å; F938-F1001 HydrophobicContact CD1-CZ 3.86Å; F938-F1001 HydrophobicContact CD2-CE2 4.41Å; F938-F1001 AromaticContact CD2-CZ 3.85Å; F938-F1001 HydrophobicContact CD2-CZ 3.85Å; F938-F1001 AromaticContact CE1-CE2 3.59Å; F938-F1001 HydrophobicContact CE1-CE2 3.59Å; F938-F1001 AromaticContact CE1-CZ 3.67Å; F938-F1001 HydrophobicContact CE1-CZ 3.67Å; F938-F1001 HydrophobicContact CE2-CE2 4.41Å; F938-F1001 AromaticContact CE2-CZ 3.68Å; F938-F1001 HydrophobicContact CE2-CZ 3.68Å; F938-F1001 HydrophobicContact CG-CE2 4.03Å; F938-F1001 AromaticContact CG-CZ 3.93Å; F938-F1001 HydrophobicContact CG-CZ 3.93Å; F938-F1001 HydrophobicContact CZ-CE2 4.01Å; F938-F1001 AromaticContact CZ-CZ 3.58Å; F938-F1001 HydrophobicContact CZ-CZ 3.58Å; F938-P1003 HydrophobicContact CD1-CB 4.24Å; F938-P1003 HydrophobicContact CE1-CB 3.99Å; F938-I1009 PolarHBondContact N-O 2.88Å; F938-I1009 PolarHBondContact O-N 2.88Å; F938-L1011 HydrophobicContact CB-CB 4.03Å; F938-L1011 HydrophobicContact CB-CD2 4.27Å; F938-L1011 HydrophobicContact CD2-CD2 4.31Å; F938-L1011 HydrophobicContact CG-CD2 4.41Å
939L94.6Very high91.8Very high1 Ų114.7 Ų14.71%0.0057%0.073CC..EExtended strand (participates in β ladder)trans-141.6136.4175.7171.167.7000108.4Y810 Q910 F941 N1007 Y1008Y810-L939 HydrophobicContact CE1-CD2 3.86Å; Y810-L939 HydrophobicContact CE2-CD1 3.88Å; Y810-L939 HydrophobicContact CE2-CD2 4.43Å; Y810-L939 WeakPolarHBondContact OH-CD2 3.41Å; Q910-L939 HydrophobicContact CB-CB 4.35Å; Q910-L939 HydrophobicContact CG-CD2 4.49Å; Q910-L939 PolarHBondContact N-O 3.19Å; Q910-L939 PolarHBondContact O-N 2.83Å; L939-F941 HydrophobicContact CD1-CE1 4.31Å; L939-F941 HydrophobicContact CD1-CE2 4.05Å; L939-F941 HydrophobicContact CD1-CZ 3.68Å; L939-F941 HydrophobicContact CD2-CE2 3.75Å; L939-F941 HydrophobicContact CD2-CZ 3.86Å; L939-F941 HydrophobicContact CG-CE2 3.71Å; L939-F941 HydrophobicContact CG-CZ 3.86Å; L939-N1007 VanDerWaalsContact CD1-C 3.49Å; L939-N1007 WeakPolarHBondContact CD1-O 3.5Å; L939-Y1008 HydrophobicContact CB-CD2 3.99Å; L939-Y1008 HydrophobicContact CD2-CD2 4.39Å
940A93.6Very high92.2Very high0 Ų012.2 Ų12.20%06%0.062CC..EExtended strand (participates in β ladder)trans-139.8141.4-177.800000112.1V909 F938 L942 P1003 A1006V909-A940 HydrophobicContact CG2-CB 4.46Å; F938-A940 HydrophobicContact CD1-CB 4.49Å; F938-A940 HydrophobicContact CE1-CB 3.89Å; A940-L942 HydrophobicContact CB-CD1 4.08Å; A940-L942 HydrophobicContact CB-CG 4.16Å; A940-P1003 HydrophobicContact CB-CB 3.97Å; A940-P1003 HydrophobicContact CB-CG 4.01Å; A940-A1006 PolarHBondContact O-N 3.44Å; A940-A1006 VanDerWaalsContact O-N 3.13Å
941F92.7Very high92.5Very high0 Ų011 Ų110%06%0.057CC..EExtended strand (participates in β ladder)trans-127.197.9167.7-51.6-80000105.8Y810 H862 Y904 E907 E908 L939 A1006Y810-F941 HydrophobicContact CD1-CE1 4.11Å; Y810-F941 HydrophobicContact CD1-CE2 4.48Å; Y810-F941 AromaticContact CD1-CZ 3.49Å; Y810-F941 HydrophobicContact CD1-CZ 3.49Å; Y810-F941 VanDerWaalsContact CD1-CZ 3.49Å; Y810-F941 AromaticContact CD2-CE1 3.93Å; Y810-F941 HydrophobicContact CD2-CE1 3.93Å; Y810-F941 AromaticContact CD2-CZ 3.88Å; Y810-F941 HydrophobicContact CD2-CZ 3.88Å; Y810-F941 AromaticContact CE1-CZ 3.89Å; Y810-F941 HydrophobicContact CE1-CZ 3.89Å; Y810-F941 HydrophobicContact CE2-CZ 4.27Å; Y810-F941 AromaticContact CG-CE1 3.62Å; Y810-F941 HydrophobicContact CG-CE1 3.62Å; Y810-F941 AromaticContact CG-CZ 3.47Å; Y810-F941 HydrophobicContact CG-CZ 3.47Å; Y810-F941 VanDerWaalsContact CG-CZ 3.47Å; H862-F941 HydrophobicContact CB-CD1 4.43Å; H862-F941 HydrophobicContact CB-CD2 3.91Å; H862-F941 HydrophobicContact CB-CE1 4.13Å; H862-F941 HydrophobicContact CB-CE2 3.56Å; H862-F941 HydrophobicContact CB-CG 4.33Å; H862-F941 HydrophobicContact CB-CZ 3.68Å; H862-F941 AromaticContact CD2-CD1 3.59Å; H862-F941 AromaticContact CD2-CD2 3.92Å; H862-F941 AromaticContact CD2-CG 3.51Å; H862-F941 AromaticContact CE1-CD2 3.99Å; H862-F941 AromaticContact CG-CD2 3.57Å; H862-F941 AromaticContact CG-CE2 3.77Å; H862-F941 AromaticContact CG-CG 3.68Å; H862-F941 AromaticContact ND1-CD2 3.78Å; Y904-F941 HydrophobicContact CD1-CB 3.82Å; Y904-F941 HydrophobicContact CD1-CD1 4.42Å; Y904-F941 HydrophobicContact CD2-CB 4.3Å; Y904-F941 HydrophobicContact CE1-CB 3.85Å; Y904-F941 AromaticContact CE1-CD1 3.68Å; Y904-F941 HydrophobicContact CE1-CD1 3.68Å; Y904-F941 HydrophobicContact CE1-CG 4.21Å; Y904-F941 HydrophobicContact CE2-CB 4.33Å; Y904-F941 HydrophobicContact CG-CB 4.05Å; Y904-F941 AromaticContact CZ-CD1 3.93Å; E907-F941 VanDerWaalsContact CA-O 3.28Å; E907-F941 WeakPolarHBondContact CA-O 3.45Å; E908-F941 HydrophobicContact CG-CB 4.44Å; E908-F941 HydrophobicContact CG-CD2 3.58Å; E908-F941 HydrophobicContact CG-CE2 4.35Å; E908-F941 HydrophobicContact CG-CG 4.47Å; E908-F941 PolarHBondContact N-O 2.71Å; E908-F941 PolarHBondContact O-N 2.72Å; L939-F941 HydrophobicContact CD1-CE1 4.31Å; L939-F941 HydrophobicContact CD1-CE2 4.05Å; L939-F941 HydrophobicContact CD1-CZ 3.68Å; L939-F941 HydrophobicContact CD2-CE2 3.75Å; L939-F941 HydrophobicContact CD2-CZ 3.86Å; L939-F941 HydrophobicContact CG-CE2 3.71Å; L939-F941 HydrophobicContact CG-CZ 3.86Å; F941-A1006 HydrophobicContact CD1-CB 3.99Å; F941-A1006 HydrophobicContact CE1-CB 3.62Å
942L92Very high92.7Very high0 Ų010.6 Ų10.60%06%0.056CC..  trans-140.2146-170.6-62.1174.9000109.7R898 E907 V909 A940 P946 I948 V1193 P1202R898-L942 PolarHBondContact NH2-O 3.11Å; E907-L942 HydrophobicContact CB-CD2 4.07Å; V909-L942 HydrophobicContact CG2-CD1 4.1Å; V909-L942 HydrophobicContact CG2-CD2 3.93Å; V909-L942 HydrophobicContact CG2-CG 4.27Å; A940-L942 HydrophobicContact CB-CD1 4.08Å; A940-L942 HydrophobicContact CB-CG 4.16Å; L942-P946 HydrophobicContact CB-CG 3.78Å; L942-P946 HydrophobicContact CD1-CB 4.31Å; L942-P946 HydrophobicContact CD1-CG 3.7Å; L942-P946 HydrophobicContact CG-CG 4.41Å; L942-I948 HydrophobicContact CD1-CD1 3.69Å; L942-I948 HydrophobicContact CD1-CG1 4.47Å; L942-V1193 HydrophobicContact CD1-CG1 4.13Å; L942-P1202 HydrophobicContact CD2-CB 3.71Å; L942-P1202 HydrophobicContact CD2-CG 3.79Å
943T90.6Very high92.8Very high21 Ų2110.5 Ų10.513%0.1296%0.055CC..SBendtrans-82147.4178.7-54.20000111.8L902 T903 Y904 E907 D1197L902-T943 CarbonylContact O-C 3.59Å; L902-T943 VanDerWaalsContact O-CA 3.28Å; L902-T943 WeakPolarHBondContact O-CA 3.28Å; T903-T943 HydrophobicContact CG2-CG2 3.82Å; Y904-T943 PolarHBondContact N-OG1 2.86Å; E907-T943 WeakPolarHBondContact OE1-CA 3.42Å; E907-T943 WeakPolarHBondContact OE1-CB 3.34Å; E907-T943 PolarHBondContact OE1-N 2.82Å; E907-T943 PolarHBondContact OE1-OG1 2.75Å; T943-D1197 HydrophobicContact CG2-CB 4.2Å
944G87.3Confident92.8Very high2 Ų210.3 Ų10.32%0.0215%0.054CC..EExtended strand (participates in β ladder)trans83.7-139.2171.800000113.4R898 L902 P946 D1197R898-G944 VanDerWaalsContact CZ-O 3.29Å; R898-G944 PolarHBondContact NE-O 2.93Å; R898-G944 PolarHBondContact NH2-O 2.84Å; L902-G944 PolarHBondContact O-N 2.83Å; G944-P946 VanDerWaalsContact C-CD 3.45Å; G944-D1197 WeakPolarHBondContact CA-OD2 3.45Å
945M88.3Confident92.5Very high70 Ų7013.5 Ų13.535%0.3457%0.07SC..EExtended strand (participates in β ladder)trans-128.460178.7-68.5-64.4-62.900111.8R898 A901R898-M945 HydrophobicContact CB-CE 4.12Å; R898-M945 HydrophobicContact CB-SD 4.5Å; R898-M945 HydrophobicContact CG-CE 4.04Å; R898-M945 HydrophobicContact CG-SD 3.77Å; R898-M945 WeakPolarHBondContact O-CE 3.03Å; A901-M945 HydrophobicContact CB-CG 4.04Å; A901-M945 HydrophobicContact CB-SD 4.31Å
946P91.8Very high92.2Very high0 Ų020.6 Ų20.60%010%0.097CC..EExtended strand (participates in β ladder)trans-71.4143.7-17029.8-36.2000112.9L942 G944 V1193 Q1194L942-P946 HydrophobicContact CB-CG 3.78Å; L942-P946 HydrophobicContact CD1-CB 4.31Å; L942-P946 HydrophobicContact CD1-CG 3.7Å; L942-P946 HydrophobicContact CG-CG 4.41Å; G944-P946 VanDerWaalsContact C-CD 3.45Å; P946-V1193 HydrophobicContact CB-CG1 3.75Å; P946-Q1194 CarbonylContact C-O 3.59Å; P946-Q1194 VanDerWaalsContact CA-O 3.23Å; P946-Q1194 WeakPolarHBondContact CA-O 3.4Å; P946-Q1194 WeakPolarHBondContact CB-O 3.4Å
947T92.6Very high91.8Very high27 Ų2722.1 Ų22.117%0.16610%0.103CC..EExtended strand (participates in β ladder)trans-99.4133.9168.9-57.20000109.3Q1002 Q1194T947-Q1002 PolarHBondContact OG1-NE2 2.84Å; T947-Q1194 PolarHBondContact N-O 2.84Å; T947-Q1194 WeakPolarHBondContact O-CB 3.19Å; T947-Q1194 PolarHBondContact O-N 2.93Å
948I94.2Very high91.5Very high0 Ų025.8 Ų25.80%012%0.12CC..EExtended strand (participates in β ladder)trans-114.6138.6-174.9-61-172.6000110.3F938 L942 K1000 F1001 P1003 V1191 S1192 V1193F938-I948 HydrophobicContact CE1-CD1 3.69Å; F938-I948 HydrophobicContact CZ-CD1 3.57Å; F938-I948 HydrophobicContact CZ-CG2 4.02Å; L942-I948 HydrophobicContact CD1-CD1 3.69Å; L942-I948 HydrophobicContact CD1-CG1 4.47Å; I948-K1000 WeakPolarHBondContact O-CA 3.3Å; I948-F1001 HydrophobicContact CB-CD1 4.4Å; I948-F1001 HydrophobicContact CB-CE1 3.97Å; I948-F1001 HydrophobicContact CB-CE2 4.33Å; I948-F1001 HydrophobicContact CB-CZ 3.94Å; I948-F1001 HydrophobicContact CG2-CE1 3.67Å; I948-F1001 HydrophobicContact CG2-CE2 4.47Å; I948-F1001 HydrophobicContact CG2-CZ 3.65Å; I948-F1001 PolarHBondContact N-O 2.89Å; I948-F1001 PolarHBondContact O-N 2.93Å; I948-F1001 VanDerWaalsContact O-N 3.09Å; I948-P1003 HydrophobicContact CD1-CB 4.42Å; I948-P1003 HydrophobicContact CD1-CG 3.71Å; I948-P1003 HydrophobicContact CG1-CG 4.4Å; I948-V1191 HydrophobicContact CG2-CG1 4.17Å; I948-S1192 WeakPolarHBondContact CA-O 3.34Å; I948-S1192 WeakPolarHBondContact CG2-O 3.39Å; I948-V1193 HydrophobicContact CG1-CG2 4.38Å
949E94.5Very high90.9Very high38 Ų3829.7 Ų29.718%0.17816%0.161CC..EExtended strand (participates in β ladder)trans-112.7124.4166-40.4179.8147.400110.3T998 I999 K1000 S1192 Q1194E949-T998 HydrophobicContact CB-CG2 4.01Å; E949-T998 HydrophobicContact CG-CG2 4.47Å; E949-I999 WeakPolarHBondContact CA-O 3.31Å; E949-K1000 HydrophobicContact CG-CD 4.02Å; E949-K1000 HydrophobicContact CG-CG 4.08Å; E949-K1000 WeakPolarHBondContact OE1-CE 3.26Å; E949-K1000 IonicContact OE1-NZ 2.7Å; E949-K1000 PolarHBondContact OE1-NZ 2.99Å; E949-S1192 VanDerWaalsContact CB-OG 3.27Å; E949-S1192 WeakPolarHBondContact CB-OG 3.06Å; E949-S1192 WeakPolarHBondContact CG-OG 3.28Å; E949-S1192 PolarHBondContact N-O 2.92Å; E949-S1192 VanDerWaalsContact N-O 3.08Å; E949-S1192 PolarHBondContact O-N 2.94Å; E949-S1192 PolarHBondContact OE2-OG 3.46Å; E949-Q1194 PolarHBondContact OE1-NE2 2.96Å; E949-Q1194 PolarHBondContact OE2-NE2 2.91Å
950L94.6Very high90.5Very high2 Ų236 Ų361%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-101.9124.3176.9-176.970.9000110.2V952 I999 F1001 L1011 L1012 V1188 V1191L950-V952 HydrophobicContact CD2-CG2 4.38Å; L950-V952 HydrophobicContact CG-CG2 4.29Å; L950-I999 HydrophobicContact CB-CB 4.13Å; L950-I999 HydrophobicContact CB-CG2 4.18Å; L950-I999 HydrophobicContact CD2-CD1 4.41Å; L950-I999 HydrophobicContact CD2-CG2 4.49Å; L950-I999 PolarHBondContact N-O 3.38Å; L950-F1001 HydrophobicContact CB-CE1 4.13Å; L950-L1011 HydrophobicContact CD2-CD2 3.72Å; L950-L1012 HydrophobicContact CD2-CD2 4.28Å; L950-V1188 HydrophobicContact CD1-CG1 3.57Å; L950-V1191 HydrophobicContact CD1-CG2 3.7Å
951G92.7Very high90Very high4 Ų437.8 Ų37.84%0.04120%0.197CC..EExtended strand (participates in β ladder)trans-101.3122.5172.300000111.8R1189 S1190G951-R1189 PolarHBondContact O-N 3.17Å; G951-S1190 WeakPolarHBondContact CA-OG 3.42Å; G951-S1190 PolarHBondContact N-O 3.24Å; G951-S1190 PolarHBondContact O-N 3.03Å
952V92.8Very high89.6Confident9 Ų944.3 Ų44.36%0.05524%0.236CC..EExtended strand (participates in β ladder)trans-117.2156.6173.1-178.20000108.1L936 L950 D954 I977 I999 T1186 T1187L936-V952 HydrophobicContact CD1-CG2 4Å; L950-V952 HydrophobicContact CD2-CG2 4.38Å; L950-V952 HydrophobicContact CG-CG2 4.29Å; V952-D954 PolarHBondContact O-N 2.96Å; V952-I977 HydrophobicContact CG1-CD1 4.45Å; V952-I999 HydrophobicContact CG2-CD1 4.08Å; V952-T1186 HydrophobicContact CG1-CG2 3.84Å; V952-T1187 WeakPolarHBondContact CA-O 3.35Å
953N91.7Very high89.3Confident1 Ų146.2 Ų46.21%0.00525%0.248CC..  trans-71.242.317864.2-31.5000115.1M955 T973 E975 W976 I977 H1185 T1187 R1189N953-M955 PolarHBondContact O-N 3.22Å; N953-T973 HydrophobicContact CB-CG2 3.76Å; N953-E975 PolarHBondContact ND2-O 2.91Å; N953-W976 HydrophobicContact CB-CD2 4.43Å; N953-W976 HydrophobicContact CB-CE3 4.15Å; N953-W976 HydrophobicContact CB-CZ3 4.46Å; N953-W976 CarbonylContact O-C 3.53Å; N953-W976 WeakPolarHBondContact O-CA 3.42Å; N953-I977 WeakPolarHBondContact O-CG1 3.43Å; N953-I977 PolarHBondContact O-N 3.26Å; N953-H1185 PolarHBondContact ND2-O 2.91Å; N953-T1187 WeakPolarHBondContact CB-OG1 3.41Å; N953-T1187 PolarHBondContact N-O 2.71Å; N953-T1187 PolarHBondContact ND2-OG1 2.81Å; N953-T1187 VanDerWaalsContact ND2-OG1 3.1Å; N953-T1187 PolarHBondContact OD1-N 2.75Å; N953-T1187 PolarHBondContact OD1-O 3.16Å; N953-T1187 PolarHBondContact OD1-OG1 3.41Å; N953-R1189 HydrophobicContact CB-CG 4.16Å
954D91.1Very high89.1Confident4 Ų446.9 Ų46.92%0.02126%0.259CS..BIsolated β-bridgetrans-59.8122.1169176.32.5000110.6V952 W956 R957 W976 L979V952-D954 PolarHBondContact O-N 2.96Å; D954-W956 PolarHBondContact O-N 3.01Å; D954-W956 PolarHBondContact OD1-N 3.23Å; D954-R957 HydrophobicContact CB-CG 4.35Å; D954-R957 WeakPolarHBondContact O-CA 3.39Å; D954-R957 WeakPolarHBondContact O-CB 3.27Å; D954-R957 PolarHBondContact O-N 3.47Å; D954-W976 WeakPolarHBondContact O-CZ3 3.42Å; D954-L979 HydrophobicContact CB-CD1 3.79Å; D954-L979 HydrophobicContact CB-CG 4.22Å
955M87.1Confident89.1Confident68 Ų6857.7 Ų57.734%0.33530%0.299SS..G310 helixtrans-49.1-31.4176.4-173.2176.165.900113.4N953 R957 Q958 I977N953-M955 PolarHBondContact O-N 3.22Å; M955-R957 VanDerWaalsContact C-N 3.26Å; M955-R957 PolarHBondContact O-N 3.16Å; M955-Q958 VanDerWaalsContact O-CB 3.28Å; M955-Q958 WeakPolarHBondContact O-CB 3.44Å; M955-Q958 PolarHBondContact O-N 3.36Å; M955-I977 WeakPolarHBondContact CB-O 3.3Å; M955-I977 PolarHBondContact N-O 2.95Å
956W87.2Confident88.9Confident153 Ų15361.2 Ų61.258%0.5831%0.314SS*.G310 helixtrans-64.5-27.8175.3-76.285000113.9D954 K960 R997D954-W956 PolarHBondContact O-N 3.01Å; D954-W956 PolarHBondContact OD1-N 3.23Å; W956-K960 WeakPolarHBondContact O-CD 3.34Å; W956-K960 WeakPolarHBondContact O-CE 3.25Å; W956-K960 PolarHBondContact O-NZ 3.12Å; W956-R997 HydrophobicContact CB-CB 4.42Å; W956-R997 HydrophobicContact CB-CG 4.04Å; W956-R997 HydrophobicContact CG-CG 4.45Å
957R88.5Confident88.8Confident33 Ų3362.7 Ų62.713%0.12532%0.322CS..G310 helixtrans-90.7-3.4178.3-62-63.8-64.9-76.29.1113.3D954 M955 G959 K960 E961 W976 R997 T998D954-R957 HydrophobicContact CB-CG 4.35Å; D954-R957 WeakPolarHBondContact O-CA 3.39Å; D954-R957 WeakPolarHBondContact O-CB 3.27Å; D954-R957 PolarHBondContact O-N 3.47Å; M955-R957 VanDerWaalsContact C-N 3.26Å; M955-R957 PolarHBondContact O-N 3.16Å; R957-G959 PolarHBondContact O-N 3.12Å; R957-G959 VanDerWaalsContact O-N 3.16Å; R957-K960 PolarHBondContact O-N 2.86Å; R957-E961 PolarHBondContact O-N 3.42Å; R957-W976 HydrophobicContact CB-CZ3 4.29Å; R957-R997 VanDerWaalsContact CD-O 3.29Å; R957-R997 WeakPolarHBondContact CD-O 3.42Å; R957-R997 HydrophobicContact CG-CB 4.1Å; R957-R997 WeakPolarHBondContact CG-O 3.36Å; R957-R997 PolarHBondContact NH1-O 3.37Å; R957-T998 PolarHBondContact NH1-OG1 3.24Å; R957-T998 VanDerWaalsContact NH1-OG1 3.14Å; R957-T998 PolarHBondContact NH2-OG1 3.21Å
958Q87.3Confident88.6Confident106 Ų10665.6 Ų65.650%0.49534%0.336SS..THydrogen-bonded Turntrans-54.6120.4179.2-170.5176.251.800111.2M955 K960 W976M955-Q958 VanDerWaalsContact O-CB 3.28Å; M955-Q958 WeakPolarHBondContact O-CB 3.44Å; M955-Q958 PolarHBondContact O-N 3.36Å; Q958-K960 PolarHBondContact O-N 3.07Å; Q958-W976 HydrophobicContact CB-CD2 3.83Å; Q958-W976 HydrophobicContact CB-CE3 3.79Å; Q958-W976 HydrophobicContact CB-CG 4.36Å; Q958-W976 HydrophobicContact CB-CH2 4.42Å; Q958-W976 HydrophobicContact CB-CZ2 4.45Å; Q958-W976 HydrophobicContact CB-CZ3 4.11Å; Q958-W976 HydrophobicContact CG-CD2 3.81Å; Q958-W976 HydrophobicContact CG-CE3 4.29Å; Q958-W976 HydrophobicContact CG-CG 4.08Å; Q958-W976 HydrophobicContact CG-CZ2 4.24Å
959G83.6Confident88.4Confident84 Ų8466 Ų6687%0.86634%0.338SS*.THydrogen-bonded Turntrans71.42.1-17700000116.2R957R957-G959 PolarHBondContact O-N 3.12Å; R957-G959 VanDerWaalsContact O-N 3.16Å
960K86Confident87.9Confident133 Ų13367.7 Ų67.758%0.57835%0.352SS*.THydrogen-bonded Turntrans-115.61.4-177.5-55175.1-159.7153.90113.8W956 R957 Q958W956-K960 WeakPolarHBondContact O-CD 3.34Å; W956-K960 WeakPolarHBondContact O-CE 3.25Å; W956-K960 PolarHBondContact O-NZ 3.12Å; R957-K960 PolarHBondContact O-N 2.86Å; Q958-K960 PolarHBondContact O-N 3.07Å
961E83Confident87.1Confident38 Ų3869.4 Ų69.418%0.17836%0.362CS..  trans-78.2121.9175.6-175.2174.7-177.300110.4R957 V963 R1189 S1190R957-E961 PolarHBondContact O-N 3.42Å; E961-V963 HydrophobicContact CG-CG2 3.54Å; E961-R1189 WeakPolarHBondContact OE2-CD 3.16Å; E961-R1189 IonicContact OE2-CZ 3.23Å; E961-R1189 IonicContact OE2-NE 2.75Å; E961-R1189 IonicContact OE2-NH1 2.78Å; E961-R1189 PolarHBondContact OE2-NH1 3.09Å; E961-S1190 WeakPolarHBondContact OE1-CB 3.38Å; E961-S1190 PolarHBondContact OE1-OG 2.68Å
962V84.6Confident86.3Confident137 Ų13772 Ų7283%0.8338%0.384SS*.  trans-125.4112.8176.7-179.60000107.2
963V85.8Confident85.7Confident41 Ų4172.9 Ų72.925%0.24839%0.389CS..  trans-143.6146.8-165.8171.30000109.9E961 D967 I968E961-V963 HydrophobicContact CG-CG2 3.54Å; V963-D967 HydrophobicContact CG1-CB 3.53Å; V963-I968 HydrophobicContact CB-CG1 4.21Å; V963-I968 HydrophobicContact CG1-CG1 3.79Å
964G85.6Confident84.9Confident35 Ų3578.1 Ų78.136%0.36141%0.414SS..  trans-65.9150.2176.700000113.2H966 D967 I968G964-H966 PolarHBondContact O-N 2.87Å; G964-H966 VanDerWaalsContact O-N 3.11Å; G964-D967 WeakPolarHBondContact CA-OD2 3.49Å; G964-D967 PolarHBondContact O-N 2.97Å; G964-I968 PolarHBondContact O-N 3.06Å
965R87.6Confident84.6Confident229 Ų22982 Ų8286%0.86443%0.431SS*.THydrogen-bonded Turntrans-62-22.4-178.1-67.2-167-172.8107.13.5114.3D967R965-D967 VanDerWaalsContact C-N 3.35Å
966H83.8Confident84.6Confident143 Ų14380.4 Ų80.466%0.66242%0.422SS*.THydrogen-bonded Turntrans-89.6-3.9177.3-46.6126.7000112.7G964 K1204G964-H966 PolarHBondContact O-N 2.87Å; G964-H966 VanDerWaalsContact O-N 3.11Å; H966-K1204 PolarHBondContact O-NZ 2.82Å
967D89.8Confident84.6Confident31 Ų3173.3 Ų73.317%0.16640%0.395CS..THydrogen-bonded Turntrans-111.9-16.2-174.8-53-57.4000112.6V963 G964 R965 S1190 V1191 K1204V963-D967 HydrophobicContact CG1-CB 3.53Å; G964-D967 WeakPolarHBondContact CA-OD2 3.49Å; G964-D967 PolarHBondContact O-N 2.97Å; R965-D967 VanDerWaalsContact C-N 3.35Å; D967-S1190 CarbonylContact O-C 3.54Å; D967-S1190 WeakPolarHBondContact O-CA 3.14Å; D967-S1190 VanDerWaalsContact O-CB 3.24Å; D967-S1190 WeakPolarHBondContact O-CB 3.34Å; D967-V1191 WeakPolarHBondContact CA-O 3.34Å; D967-V1191 WeakPolarHBondContact CB-O 3.15Å; D967-V1191 PolarHBondContact O-N 3.1Å; D967-K1204 IonicContact OD1-NZ 3.45Å; D967-K1204 PolarHBondContact OD1-NZ 3.02Å
968I89.4Confident84.6Confident89 Ų8974.4 Ų74.446%0.45640%0.399SS..BIsolated β-bridgetrans-70125.8169.3-62.7168.4000109.6V963 G964V963-I968 HydrophobicContact CB-CG1 4.21Å; V963-I968 HydrophobicContact CG1-CG1 3.79Å; G964-I968 PolarHBondContact O-N 3.06Å
969I88.7Confident84.8Confident9 Ų970.7 Ų70.75%0.04638%0.383CS..  trans-82128.9167.3-70.2155000107.6V971 V1188 R1189 V1191 V1206I969-V971 HydrophobicContact CG2-CB 4.27Å; I969-V971 HydrophobicContact CG2-CG2 3.75Å; I969-V971 PolarHBondContact O-N 3.24Å; I969-V1188 HydrophobicContact CD1-CB 4.11Å; I969-V1188 HydrophobicContact CD1-CG1 3.58Å; I969-R1189 PolarHBondContact N-O 2.75Å; I969-V1191 HydrophobicContact CD1-CG2 3.95Å; I969-V1206 HydrophobicContact CD1-CG2 3.8Å; I969-V1206 HydrophobicContact CG1-CG2 4.33Å; I969-V1206 HydrophobicContact CG2-CG2 4.25Å
970P84Confident85Confident72 Ų7268 Ų6847%0.46835%0.348SS..  trans-77.241.6-172.232.9-37.6000113.3M161M161-P970 HydrophobicContact CE-CG 4.08Å; M161-P970 WeakPolarHBondContact SD-CD 3.49Å; M161-P970 HydrophobicContact SD-CG 3.65Å
971V79.2Confident85.1Confident38 Ų3864.4 Ų64.423%0.2334%0.343CS..  trans-92.1110.2173.6169.80000108.5I969 T973 T1187I969-V971 HydrophobicContact CG2-CB 4.27Å; I969-V971 HydrophobicContact CG2-CG2 3.75Å; I969-V971 PolarHBondContact O-N 3.24Å; V971-T973 PolarHBondContact O-N 3.32Å; V971-T973 PolarHBondContact O-OG1 2.97Å; V971-T1187 HydrophobicContact CG1-CG2 3.87Å
972A75.9Confident85.5Confident60 Ų6064.6 Ų64.650%0.49635%0.346SS..  trans-55.3115.2170.200000109.9K1054A972-K1054 PolarHBondContact O-NZ 3.24Å
973T78.7Confident85.9Confident27 Ų2761.7 Ų61.717%0.16632%0.324CS..  trans-102.7108.9-180-38.30000109.3N953 V971 E975 T1187 R1189N953-T973 HydrophobicContact CB-CG2 3.76Å; V971-T973 PolarHBondContact O-N 3.32Å; V971-T973 PolarHBondContact O-OG1 2.97Å; T973-E975 WeakPolarHBondContact CG2-O 3.23Å; T973-T1187 WeakPolarHBondContact CG2-OG1 3.43Å; T973-R1189 PolarHBondContact OG1-NE 2.77Å; T973-R1189 PolarHBondContact OG1-NH2 2.75Å; T973-R1189 VanDerWaalsContact OG1-NH2 3.12Å
974E76.6Confident86.4Confident111 Ų11161 Ų6152%0.51932%0.318SS..  trans-102-31.7174.5-70.5163.4-114.700111.1R1053E974-R1053 IonicContact OE1-CZ 3.67Å; E974-R1053 IonicContact OE1-NH1 3.82Å; E974-R1053 PolarHBondContact OE1-NH1 3.44Å; E974-R1053 IonicContact OE1-NH2 3.79Å; E974-R1053 PolarHBondContact OE1-NH2 2.82Å; E974-R1053 IonicContact OE2-CZ 2.85Å; E974-R1053 VanDerWaalsContact OE2-CZ 3.23Å; E974-R1053 IonicContact OE2-NH1 3.89Å; E974-R1053 PolarHBondContact OE2-NH1 2.93Å; E974-R1053 IonicContact OE2-NH2 3.58Å; E974-R1053 PolarHBondContact OE2-NH2 2.8Å
975E83.4Confident86.8Confident84 Ų8459.5 Ų59.539%0.39330%0.301SS..  trans-106.1143.8-174.9-67.9155.1137.900111.5L707 N953 T973 H1185L707-E975 HydrophobicContact CD1-CB 4.07Å; L707-E975 HydrophobicContact CD1-CG 4.02Å; L707-E975 HydrophobicContact CD2-CB 3.9Å; L707-E975 HydrophobicContact CD2-CG 4.46Å; N953-E975 PolarHBondContact ND2-O 2.91Å; T973-E975 WeakPolarHBondContact CG2-O 3.23Å; E975-H1185 HydrophobicContact CB-CB 4.45Å; E975-H1185 IonicContact OE1-CE1 2.74Å; E975-H1185 PolarHBondContact OE1-CE1 3.08Å; E975-H1185 VanDerWaalsContact OE1-CE1 3.31Å; E975-H1185 IonicContact OE1-ND1 3.75Å; E975-H1185 PolarHBondContact OE1-ND1 3.25Å; E975-H1185 IonicContact OE2-CE1 2.72Å; E975-H1185 IonicContact OE2-CG 2.68Å; E975-H1185 IonicContact OE2-ND1 2.78Å; E975-H1185 PolarHBondContact OE2-ND1 2.81Å
976W87.4Confident86.9Confident35 Ų3551.7 Ų51.713%0.13328%0.282CS..  trans-127.8125.8-177.9-73.680.3000109.4L707 N953 D954 R957 Q958L707-W976 VanDerWaalsContact CD2-O 3.25Å; L707-W976 WeakPolarHBondContact CD2-O 3.09Å; N953-W976 HydrophobicContact CB-CD2 4.43Å; N953-W976 HydrophobicContact CB-CE3 4.15Å; N953-W976 HydrophobicContact CB-CZ3 4.46Å; N953-W976 CarbonylContact O-C 3.53Å; N953-W976 WeakPolarHBondContact O-CA 3.42Å; D954-W976 WeakPolarHBondContact O-CZ3 3.42Å; R957-W976 HydrophobicContact CB-CZ3 4.29Å; Q958-W976 HydrophobicContact CB-CD2 3.83Å; Q958-W976 HydrophobicContact CB-CE3 3.79Å; Q958-W976 HydrophobicContact CB-CG 4.36Å; Q958-W976 HydrophobicContact CB-CH2 4.42Å; Q958-W976 HydrophobicContact CB-CZ2 4.45Å; Q958-W976 HydrophobicContact CB-CZ3 4.11Å; Q958-W976 HydrophobicContact CG-CD2 3.81Å; Q958-W976 HydrophobicContact CG-CE3 4.29Å; Q958-W976 HydrophobicContact CG-CG 4.08Å; Q958-W976 HydrophobicContact CG-CZ2 4.24Å
977I88.7Confident87.3Confident4 Ų446 Ų462%0.02126%0.257CS..BIsolated β-bridgetrans-99.7149.5-165.962.1166.4000112.2L707 V952 N953 M955 L979 F1014 S1184 H1185 T1186L707-I977 HydrophobicContact CD2-CG2 4.29Å; V952-I977 HydrophobicContact CG1-CD1 4.45Å; N953-I977 WeakPolarHBondContact O-CG1 3.43Å; N953-I977 PolarHBondContact O-N 3.26Å; M955-I977 WeakPolarHBondContact CB-O 3.3Å; M955-I977 PolarHBondContact N-O 2.95Å; I977-L979 HydrophobicContact CD1-CD2 3.64Å; I977-L979 HydrophobicContact CG1-CD2 4.14Å; I977-F1014 HydrophobicContact CD1-CE2 3.81Å; I977-F1014 HydrophobicContact CD1-CZ 3.86Å; I977-S1184 VanDerWaalsContact CG2-O 3.28Å; I977-S1184 WeakPolarHBondContact CG2-O 3.28Å; I977-H1185 HydrophobicContact CG2-CB 4.14Å; I977-T1186 HydrophobicContact CD1-CG2 4.25Å
978R88Confident87.5Confident56 Ų5644.9 Ų44.921%0.21125%0.251CS..  trans-89.3111.9169-173.3-176.6-64.41721.4108.3Y708 E710 V712 E980Y708-R978 HydrophobicContact CD1-CB 4.3Å; Y708-R978 HydrophobicContact CE1-CB 4.25Å; Y708-R978 VanDerWaalsContact CE2-CZ 3.46Å; Y708-R978 PolarHBondContact OH-NH2 2.96Å; E710-R978 IonicContact OE1-NH2 3.88Å; E710-R978 IonicContact OE2-CZ 2.77Å; E710-R978 IonicContact OE2-NH1 3.43Å; E710-R978 IonicContact OE2-NH2 3.77Å; E710-R978 PolarHBondContact OE2-NH2 2.92Å; V712-R978 VanDerWaalsContact CG2-NH1 3.29Å; R978-E980 WeakPolarHBondContact CD-OE1 3.44Å; R978-E980 HydrophobicContact CG-CG 4.2Å
979L90.3Very high87.6Confident29 Ų2944.7 Ų44.715%0.15225%0.251CS..  trans-78.5118.7172.3-57.5179.3000109.2D954 I977 V982 F1014D954-L979 HydrophobicContact CB-CD1 3.79Å; D954-L979 HydrophobicContact CB-CG 4.22Å; I977-L979 HydrophobicContact CD1-CD2 3.64Å; I977-L979 HydrophobicContact CG1-CD2 4.14Å; L979-V982 HydrophobicContact CB-CG2 3.71Å; L979-V982 HydrophobicContact CD1-CG2 4.49Å; L979-F1014 HydrophobicContact CD2-CD1 3.97Å; L979-F1014 HydrophobicContact CD2-CD2 3.49Å; L979-F1014 VanDerWaalsContact CD2-CD2 3.49Å; L979-F1014 HydrophobicContact CD2-CE1 3.86Å; L979-F1014 HydrophobicContact CD2-CE2 3.36Å; L979-F1014 HydrophobicContact CD2-CG 3.79Å; L979-F1014 HydrophobicContact CD2-CZ 3.54Å
980E88.7Confident87.8Confident27 Ų2748.8 Ų48.813%0.12627%0.27CS..EExtended strand (participates in β ladder)trans-115.6151.3172.3-61.5-172.5-164.100110.5L716 R978 V982 R1015 R1017L716-E980 HydrophobicContact CD1-CB 3.79Å; R978-E980 WeakPolarHBondContact CD-OE1 3.44Å; R978-E980 HydrophobicContact CG-CG 4.2Å; E980-V982 PolarHBondContact O-N 2.83Å; E980-R1015 PolarHBondContact N-O 2.81Å; E980-R1015 VanDerWaalsContact N-O 3.13Å; E980-R1015 PolarHBondContact O-N 2.9Å; E980-R1017 IonicContact OE1-NE 3.52Å; E980-R1017 PolarHBondContact OE1-NE 3.39Å; E980-R1017 IonicContact OE2-CZ 2.76Å; E980-R1017 VanDerWaalsContact OE2-CZ 3.3Å; E980-R1017 IonicContact OE2-NE 3.95Å; E980-R1017 PolarHBondContact OE2-NE 3.15Å; E980-R1017 IonicContact OE2-NH2 3.58Å; E980-R1017 PolarHBondContact OE2-NH2 3.06Å
981A88.5Confident88.3Confident58 Ų5853.3 Ų53.348%0.47928%0.282SS..EExtended strand (participates in β ladder)trans41.763.1-179.600000113.3L716 R1015L716-A981 HydrophobicContact CD1-CB 3.9Å; A981-R1015 HydrophobicContact CB-CB 4.26Å; A981-R1015 HydrophobicContact CB-CG 3.82Å
982V91.8Very high88.8Confident41 Ų4153 Ų5325%0.24828%0.278CS..EExtended strand (participates in β ladder)trans-82.8123-178.2-1700000109.9L979 E980 F984 L1012 R1013 F1014L979-V982 HydrophobicContact CB-CG2 3.71Å; L979-V982 HydrophobicContact CD1-CG2 4.49Å; E980-V982 PolarHBondContact O-N 2.83Å; V982-F984 HydrophobicContact CB-CE2 4.43Å; V982-F984 HydrophobicContact CG1-CD2 4.41Å; V982-F984 HydrophobicContact CG1-CE1 3.92Å; V982-F984 HydrophobicContact CG1-CE2 3.73Å; V982-F984 HydrophobicContact CG1-CZ 3.46Å; V982-F984 VanDerWaalsContact CG1-CZ 3.46Å; V982-L1012 HydrophobicContact CG1-CD1 4.34Å; V982-R1013 WeakPolarHBondContact CA-O 3.42Å; V982-F1014 HydrophobicContact CB-CB 4.41Å; V982-F1014 HydrophobicContact CG1-CB 4.44Å; V982-F1014 HydrophobicContact CG2-CB 3.99Å
983E93.1Very high89.6Confident77 Ų7750.7 Ų50.736%0.3626%0.257SS..EExtended strand (participates in β ladder)trans-114142.7174.2-66170.7-129.900110F892 L1012 R1013F892-E983 HydrophobicContact CE1-CB 4.15Å; F892-E983 HydrophobicContact CZ-CB 4.08Å; E983-L1012 WeakPolarHBondContact O-CA 3.44Å; E983-R1013 HydrophobicContact CB-CG 3.84Å; E983-R1013 PolarHBondContact N-O 3.04Å; E983-R1013 PolarHBondContact O-N 3.44Å; E983-R1013 IonicContact OE2-CZ 2.71Å; E983-R1013 IonicContact OE2-NE 3.8Å; E983-R1013 PolarHBondContact OE2-NE 3.13Å; E983-R1013 IonicContact OE2-NH2 2.85Å; E983-R1013 PolarHBondContact OE2-NH2 2.88Å
984F94.4Very high90.2Very high27 Ų2755.8 Ų55.812%0.11828%0.279CS..EExtended strand (participates in β ladder)trans-123.1140.5-176-66.6-72.1000111.7V982 V988 Q990 Y993 I999 L1012V982-F984 HydrophobicContact CB-CE2 4.43Å; V982-F984 HydrophobicContact CG1-CD2 4.41Å; V982-F984 HydrophobicContact CG1-CE1 3.92Å; V982-F984 HydrophobicContact CG1-CE2 3.73Å; V982-F984 HydrophobicContact CG1-CZ 3.46Å; V982-F984 VanDerWaalsContact CG1-CZ 3.46Å; F984-V988 HydrophobicContact CB-CB 4.05Å; F984-V988 HydrophobicContact CB-CG2 4.3Å; F984-V988 HydrophobicContact CD1-CB 3.98Å; F984-V988 HydrophobicContact CD1-CG1 3.74Å; F984-V988 HydrophobicContact CD1-CG2 3.98Å; F984-V988 HydrophobicContact CE1-CG1 4.11Å; F984-V988 HydrophobicContact CG-CB 4.21Å; F984-V988 HydrophobicContact CG-CG1 4.2Å; F984-Q990 HydrophobicContact CB-CG 4.21Å; F984-Q990 HydrophobicContact CD2-CG 4.06Å; F984-Q990 HydrophobicContact CG-CG 4.41Å; F984-Y993 HydrophobicContact CE1-CG 4.44Å; F984-Y993 AromaticContact CE2-CD1 3.46Å; F984-Y993 HydrophobicContact CE2-CD1 3.46Å; F984-Y993 VanDerWaalsContact CE2-CD1 3.46Å; F984-Y993 AromaticContact CE2-CE1 3.78Å; F984-Y993 HydrophobicContact CE2-CE1 3.78Å; F984-Y993 AromaticContact CE2-CG 3.95Å; F984-Y993 HydrophobicContact CE2-CG 3.95Å; F984-Y993 AromaticContact CZ-CD1 3.42Å; F984-Y993 HydrophobicContact CZ-CD1 3.42Å; F984-Y993 VanDerWaalsContact CZ-CD1 3.42Å; F984-Y993 AromaticContact CZ-CD2 3.82Å; F984-Y993 HydrophobicContact CZ-CD2 3.82Å; F984-Y993 AromaticContact CZ-CE1 3.62Å; F984-Y993 HydrophobicContact CZ-CE1 3.62Å; F984-Y993 HydrophobicContact CZ-CE2 4.01Å; F984-Y993 AromaticContact CZ-CG 3.53Å; F984-Y993 HydrophobicContact CZ-CG 3.53Å; F984-Y993 AromaticContact CZ-CZ 3.92Å; F984-I999 HydrophobicContact CE1-CG1 4.28Å; F984-L1012 HydrophobicContact CD1-CB 3.57Å; F984-L1012 HydrophobicContact CD1-CD2 4.48Å; F984-L1012 HydrophobicContact CE1-CB 3.92Å; F984-L1012 HydrophobicContact CE1-CD2 4.16Å; F984-L1012 HydrophobicContact CE1-CG 4.43Å
985H94.2Very high90.9Very high3 Ų359 Ų591%0.01429%0.286CS..  trans-63.6153164.3-165.4-58.7000109.9F892 I894 V987 V988 E1010 L1011F892-H985 HydrophobicContact CD2-CB 4.37Å; F892-H985 HydrophobicContact CE2-CB 4.05Å; F892-H985 PolarHBondContact O-CD2 2.81Å; I894-H985 PolarHBondContact O-CE1 2.83Å; H985-V987 HydrophobicContact CB-CG2 4.19Å; H985-V987 PolarHBondContact O-N 3.24Å; H985-V988 PolarHBondContact O-N 3.09Å; H985-V988 VanDerWaalsContact O-N 3.08Å; H985-E1010 WeakPolarHBondContact CB-O 3.16Å; H985-E1010 PolarHBondContact CD2-O 3.48Å; H985-L1011 VanDerWaalsContact CB-O 3.29Å; H985-L1011 WeakPolarHBondContact CB-O 3.12Å; H985-L1011 PolarHBondContact N-O 3.17Å
986S90.9Very high91.2Very high65 Ų6556.9 Ų56.946%0.45528%0.279SS..THydrogen-bonded Turntrans-48.7-19.9179.369.50000116.7A896A896-S986 PolarHBondContact N-OG 2.88Å
987V91.8Very high91.3Very high22 Ų2259.1 Ų59.113%0.13329%0.287CS..THydrogen-bonded Turntrans-79.2-18.3-177.1-640000113.2A896 H985 F1001 I1009 L1011A896-V987 HydrophobicContact CB-CG1 4.21Å; A896-V987 VanDerWaalsContact O-CG1 3.27Å; A896-V987 WeakPolarHBondContact O-CG1 3.44Å; H985-V987 HydrophobicContact CB-CG2 4.19Å; H985-V987 PolarHBondContact O-N 3.24Å; V987-F1001 HydrophobicContact CB-CB 4.41Å; V987-F1001 HydrophobicContact CG2-CB 4.28Å; V987-F1001 HydrophobicContact CG2-CD2 4.39Å; V987-F1001 WeakPolarHBondContact O-CA 3.45Å; V987-F1001 WeakPolarHBondContact O-CB 3.24Å; V987-I1009 HydrophobicContact CG2-CD1 3.87Å; V987-L1011 HydrophobicContact CG2-CD1 3.67Å
988V93.5Very high91.4Very high8 Ų859.6 Ų59.65%0.04829%0.291CS..BIsolated β-bridgetrans-86.4129.8-176.9-172.50000110.5F984 H985 Q990 I999 F1001 L1011F984-V988 HydrophobicContact CB-CB 4.05Å; F984-V988 HydrophobicContact CB-CG2 4.3Å; F984-V988 HydrophobicContact CD1-CB 3.98Å; F984-V988 HydrophobicContact CD1-CG1 3.74Å; F984-V988 HydrophobicContact CD1-CG2 3.98Å; F984-V988 HydrophobicContact CE1-CG1 4.11Å; F984-V988 HydrophobicContact CG-CB 4.21Å; F984-V988 HydrophobicContact CG-CG1 4.2Å; H985-V988 PolarHBondContact O-N 3.09Å; H985-V988 VanDerWaalsContact O-N 3.08Å; V988-Q990 VanDerWaalsContact C-N 3.33Å; V988-Q990 PolarHBondContact O-N 3.41Å; V988-I999 HydrophobicContact CG1-CG2 4.02Å; V988-I999 HydrophobicContact CG2-CG2 4.48Å; V988-F1001 HydrophobicContact CG2-CB 4.21Å; V988-L1011 HydrophobicContact CG2-CD1 3.62Å; V988-L1011 HydrophobicContact CG2-CG 4.15Å
989N92.9Very high91.7Very high86 Ų8657.4 Ų57.446%0.4628%0.283SS..  trans-73.488.2173.1-173.6-18.3000110.1K991 E992 Y993 K1000N989-K991 VanDerWaalsContact C-N 3.28Å; N989-K991 PolarHBondContact O-N 3.45Å; N989-K991 PolarHBondContact OD1-N 3.3Å; N989-E992 HydrophobicContact CB-CB 4.06Å; N989-E992 PolarHBondContact O-N 2.85Å; N989-E992 VanDerWaalsContact O-N 3.09Å; N989-E992 PolarHBondContact OD1-N 3.3Å; N989-Y993 PolarHBondContact O-N 2.97Å; N989-Y993 VanDerWaalsContact O-N 3.08Å; N989-K1000 PolarHBondContact N-O 2.84Å
990Q92.5Very high91.9Very high95 Ų9558.3 Ų58.344%0.44429%0.285SS..Hα-helixtrans-56.5-40.3-177.2-61.4-179.14.600112.2F984 V988 E992 Y993 E994F984-Q990 HydrophobicContact CB-CG 4.21Å; F984-Q990 HydrophobicContact CD2-CG 4.06Å; F984-Q990 HydrophobicContact CG-CG 4.41Å; V988-Q990 VanDerWaalsContact C-N 3.33Å; V988-Q990 PolarHBondContact O-N 3.41Å; Q990-E992 VanDerWaalsContact C-N 3.3Å; Q990-E992 PolarHBondContact O-N 3.49Å; Q990-Y993 CarbonylContact O-C 3.55Å; Q990-Y993 WeakPolarHBondContact O-CB 3.41Å; Q990-Y993 PolarHBondContact O-N 3.13Å; Q990-Y993 VanDerWaalsContact O-N 3.1Å; Q990-E994 WeakPolarHBondContact O-CG 3.29Å; Q990-E994 PolarHBondContact O-N 3.01Å
991K93.4Very high92.1Very high167 Ų16757.2 Ų57.273%0.72628%0.28SS*.Hα-helixtrans-61.4-36.9177.6-61.7-179.4180179.80112.5N989 R995N989-K991 VanDerWaalsContact C-N 3.28Å; N989-K991 PolarHBondContact O-N 3.45Å; N989-K991 PolarHBondContact OD1-N 3.3Å; K991-R995 VanDerWaalsContact O-CB 3.28Å; K991-R995 WeakPolarHBondContact O-CB 3.43Å; K991-R995 PolarHBondContact O-N 3.48Å; K991-R995 VanDerWaalsContact O-N 3.16Å
992E91.2Very high92.3Very high30 Ų3058.3 Ų58.314%0.1428%0.275CS..Hα-helixtrans-73.1-35.3175.3-177.965.817100111.9N989 Q990 R995 T996 K1000N989-E992 HydrophobicContact CB-CB 4.06Å; N989-E992 PolarHBondContact O-N 2.85Å; N989-E992 VanDerWaalsContact O-N 3.09Å; N989-E992 PolarHBondContact OD1-N 3.3Å; Q990-E992 VanDerWaalsContact C-N 3.3Å; Q990-E992 PolarHBondContact O-N 3.49Å; E992-R995 IonicContact OE1-CZ 3.24Å; E992-R995 IonicContact OE1-NH2 2.85Å; E992-R995 PolarHBondContact OE1-NH2 3.24Å; E992-R995 IonicContact OE2-CZ 3.54Å; E992-R995 IonicContact OE2-NE 2.79Å; E992-R995 PolarHBondContact OE2-NE 2.88Å; E992-R995 IonicContact OE2-NH2 3.78Å; E992-R995 PolarHBondContact OE2-NH2 3.43Å; E992-T996 WeakPolarHBondContact O-CB 3.43Å; E992-T996 PolarHBondContact O-N 3.33Å; E992-T996 PolarHBondContact O-OG1 2.98Å; E992-K1000 HydrophobicContact CG-CB 4.34Å; E992-K1000 HydrophobicContact CG-CD 3.84Å; E992-K1000 HydrophobicContact CG-CG 3.89Å; E992-K1000 WeakPolarHBondContact OE1-CE 3.38Å; E992-K1000 IonicContact OE1-NZ 2.66Å
993Y92.4Very high92.4Very high12 Ų1256.4 Ų56.45%0.04726%0.264CS..Hα-helixtrans-66.5-44.2172.6173.5-96.1000112.2F984 N989 Q990 R995 T996 R997 T998 I999F984-Y993 HydrophobicContact CE1-CG 4.44Å; F984-Y993 AromaticContact CE2-CD1 3.46Å; F984-Y993 HydrophobicContact CE2-CD1 3.46Å; F984-Y993 VanDerWaalsContact CE2-CD1 3.46Å; F984-Y993 AromaticContact CE2-CE1 3.78Å; F984-Y993 HydrophobicContact CE2-CE1 3.78Å; F984-Y993 AromaticContact CE2-CG 3.95Å; F984-Y993 HydrophobicContact CE2-CG 3.95Å; F984-Y993 AromaticContact CZ-CD1 3.42Å; F984-Y993 HydrophobicContact CZ-CD1 3.42Å; F984-Y993 VanDerWaalsContact CZ-CD1 3.42Å; F984-Y993 AromaticContact CZ-CD2 3.82Å; F984-Y993 HydrophobicContact CZ-CD2 3.82Å; F984-Y993 AromaticContact CZ-CE1 3.62Å; F984-Y993 HydrophobicContact CZ-CE1 3.62Å; F984-Y993 HydrophobicContact CZ-CE2 4.01Å; F984-Y993 AromaticContact CZ-CG 3.53Å; F984-Y993 HydrophobicContact CZ-CG 3.53Å; F984-Y993 AromaticContact CZ-CZ 3.92Å; N989-Y993 PolarHBondContact O-N 2.97Å; N989-Y993 VanDerWaalsContact O-N 3.08Å; Q990-Y993 CarbonylContact O-C 3.55Å; Q990-Y993 WeakPolarHBondContact O-CB 3.41Å; Q990-Y993 PolarHBondContact O-N 3.13Å; Q990-Y993 VanDerWaalsContact O-N 3.1Å; Y993-R995 VanDerWaalsContact C-N 3.31Å; Y993-R995 PolarHBondContact O-N 2.85Å; Y993-T996 PolarHBondContact O-N 2.67Å; Y993-R997 HydrophobicContact CE2-CB 4.4Å; Y993-R997 WeakPolarHBondContact O-CA 3.3Å; Y993-R997 PolarHBondContact O-N 2.81Å; Y993-R997 PolarHBondContact OH-NH1 3.38Å; Y993-R997 VanDerWaalsContact OH-NH1 3.08Å; Y993-T998 WeakPolarHBondContact CA-O 3.33Å; Y993-I999 HydrophobicContact CD2-CG1 3.92Å; Y993-I999 HydrophobicContact CE2-CG1 4.22Å
994E91.1Very high92.3Very high134 Ų13453 Ų5363%0.62625%0.249SC*.Hα-helixtrans-57.4-45.9175-71.7168.6161.900111.3Q990Q990-E994 WeakPolarHBondContact O-CG 3.29Å; Q990-E994 PolarHBondContact O-N 3.01Å
995R91Very high92Very high179 Ų17952.7 Ų52.768%0.67525%0.248SC*.Hα-helixtrans-70-36.6-178-171.2-176.375.988.9-3.6114.1K991 E992 Y993K991-R995 VanDerWaalsContact O-CB 3.28Å; K991-R995 WeakPolarHBondContact O-CB 3.43Å; K991-R995 PolarHBondContact O-N 3.48Å; K991-R995 VanDerWaalsContact O-N 3.16Å; E992-R995 IonicContact OE1-CZ 3.24Å; E992-R995 IonicContact OE1-NH2 2.85Å; E992-R995 PolarHBondContact OE1-NH2 3.24Å; E992-R995 IonicContact OE2-CZ 3.54Å; E992-R995 IonicContact OE2-NE 2.79Å; E992-R995 PolarHBondContact OE2-NE 2.88Å; E992-R995 IonicContact OE2-NH2 3.78Å; E992-R995 PolarHBondContact OE2-NH2 3.43Å; Y993-R995 VanDerWaalsContact C-N 3.31Å; Y993-R995 PolarHBondContact O-N 2.85Å
996T89.6Confident91.8Very high39 Ų3953.5 Ų53.524%0.23926%0.255CS..Hα-helixtrans-125.4-12-167.271.40000115.3E992 Y993 T998E992-T996 WeakPolarHBondContact O-CB 3.43Å; E992-T996 PolarHBondContact O-N 3.33Å; E992-T996 PolarHBondContact O-OG1 2.98Å; Y993-T996 PolarHBondContact O-N 2.67Å; T996-T998 PolarHBondContact O-N 3.42Å; T996-T998 WeakPolarHBondContact OG1-CB 3.43Å; T996-T998 PolarHBondContact OG1-N 2.93Å; T996-T998 PolarHBondContact OG1-OG1 2.85Å; T996-T998 VanDerWaalsContact OG1-OG1 3.1Å
997R89.8Confident91.9Very high83 Ų8352 Ų5231%0.31324%0.242SC..SBendtrans52.332.3-164.3-58.7-67.3175.2155.7-1.6113.1W956 R957 Y993W956-R997 HydrophobicContact CB-CB 4.42Å; W956-R997 HydrophobicContact CB-CG 4.04Å; W956-R997 HydrophobicContact CG-CG 4.45Å; R957-R997 VanDerWaalsContact CD-O 3.29Å; R957-R997 WeakPolarHBondContact CD-O 3.42Å; R957-R997 HydrophobicContact CG-CB 4.1Å; R957-R997 WeakPolarHBondContact CG-O 3.36Å; R957-R997 PolarHBondContact NH1-O 3.37Å; Y993-R997 HydrophobicContact CE2-CB 4.4Å; Y993-R997 WeakPolarHBondContact O-CA 3.3Å; Y993-R997 PolarHBondContact O-N 2.81Å; Y993-R997 PolarHBondContact OH-NH1 3.38Å; Y993-R997 VanDerWaalsContact OH-NH1 3.08Å
998T89.9Confident92Very high14 Ų1454.9 Ų54.99%0.08625%0.251CS..  trans-109.3127.6173.2-48.10000109.7E949 R957 Y993 T996 K1000E949-T998 HydrophobicContact CB-CG2 4.01Å; E949-T998 HydrophobicContact CG-CG2 4.47Å; R957-T998 PolarHBondContact NH1-OG1 3.24Å; R957-T998 VanDerWaalsContact NH1-OG1 3.14Å; R957-T998 PolarHBondContact NH2-OG1 3.21Å; Y993-T998 WeakPolarHBondContact CA-O 3.33Å; T996-T998 PolarHBondContact O-N 3.42Å; T996-T998 WeakPolarHBondContact OG1-CB 3.43Å; T996-T998 PolarHBondContact OG1-N 2.93Å; T996-T998 PolarHBondContact OG1-OG1 2.85Å; T996-T998 VanDerWaalsContact OG1-OG1 3.1Å; T998-K1000 HydrophobicContact CG2-CG 4Å; T998-K1000 PolarHBondContact O-N 2.82Å
999I94.3Very high92Very high9 Ų954.8 Ų54.85%0.04625%0.251CS..EExtended strand (participates in β ladder)trans-84.498.9179.4-60.3150.2000106.8E949 L950 V952 F984 V988 Y993 F1001 L1011 L1012E949-I999 WeakPolarHBondContact CA-O 3.31Å; L950-I999 HydrophobicContact CB-CB 4.13Å; L950-I999 HydrophobicContact CB-CG2 4.18Å; L950-I999 HydrophobicContact CD2-CD1 4.41Å; L950-I999 HydrophobicContact CD2-CG2 4.49Å; L950-I999 PolarHBondContact N-O 3.38Å; V952-I999 HydrophobicContact CG2-CD1 4.08Å; F984-I999 HydrophobicContact CE1-CG1 4.28Å; V988-I999 HydrophobicContact CG1-CG2 4.02Å; V988-I999 HydrophobicContact CG2-CG2 4.48Å; Y993-I999 HydrophobicContact CD2-CG1 3.92Å; Y993-I999 HydrophobicContact CE2-CG1 4.22Å; I999-F1001 HydrophobicContact CG2-CD1 4.25Å; I999-L1011 HydrophobicContact CG2-CD2 4.4Å; I999-L1012 HydrophobicContact CD1-CD2 3.62Å; I999-L1012 HydrophobicContact CG1-CD2 4.1Å; I999-L1012 HydrophobicContact CG2-CD2 3.84Å
1000K94.3Very high92Very high48 Ų4851.3 Ų51.321%0.20923%0.231CC..EExtended strand (participates in β ladder)trans-108.2134.3176.9-54.8-153.3-165-162.40111.4I948 E949 N989 E992 T998I948-K1000 WeakPolarHBondContact O-CA 3.3Å; E949-K1000 HydrophobicContact CG-CD 4.02Å; E949-K1000 HydrophobicContact CG-CG 4.08Å; E949-K1000 WeakPolarHBondContact OE1-CE 3.26Å; E949-K1000 IonicContact OE1-NZ 2.7Å; E949-K1000 PolarHBondContact OE1-NZ 2.99Å; N989-K1000 PolarHBondContact N-O 2.84Å; E992-K1000 HydrophobicContact CG-CB 4.34Å; E992-K1000 HydrophobicContact CG-CD 3.84Å; E992-K1000 HydrophobicContact CG-CG 3.89Å; E992-K1000 WeakPolarHBondContact OE1-CE 3.38Å; E992-K1000 IonicContact OE1-NZ 2.66Å; T998-K1000 HydrophobicContact CG2-CG 4Å; T998-K1000 PolarHBondContact O-N 2.82Å
1001F94.4Very high92.1Very high5 Ų546.8 Ų46.82%0.02221%0.211CC..EExtended strand (participates in β ladder)trans-158.2166.1-177.464.1-75.7000111.7F938 I948 L950 V987 V988 I999 P1003 L1011F938-F1001 AromaticContact CD1-CE2 3.61Å; F938-F1001 HydrophobicContact CD1-CE2 3.61Å; F938-F1001 AromaticContact CD1-CZ 3.86Å; F938-F1001 HydrophobicContact CD1-CZ 3.86Å; F938-F1001 HydrophobicContact CD2-CE2 4.41Å; F938-F1001 AromaticContact CD2-CZ 3.85Å; F938-F1001 HydrophobicContact CD2-CZ 3.85Å; F938-F1001 AromaticContact CE1-CE2 3.59Å; F938-F1001 HydrophobicContact CE1-CE2 3.59Å; F938-F1001 AromaticContact CE1-CZ 3.67Å; F938-F1001 HydrophobicContact CE1-CZ 3.67Å; F938-F1001 HydrophobicContact CE2-CE2 4.41Å; F938-F1001 AromaticContact CE2-CZ 3.68Å; F938-F1001 HydrophobicContact CE2-CZ 3.68Å; F938-F1001 HydrophobicContact CG-CE2 4.03Å; F938-F1001 AromaticContact CG-CZ 3.93Å; F938-F1001 HydrophobicContact CG-CZ 3.93Å; F938-F1001 HydrophobicContact CZ-CE2 4.01Å; F938-F1001 AromaticContact CZ-CZ 3.58Å; F938-F1001 HydrophobicContact CZ-CZ 3.58Å; I948-F1001 HydrophobicContact CB-CD1 4.4Å; I948-F1001 HydrophobicContact CB-CE1 3.97Å; I948-F1001 HydrophobicContact CB-CE2 4.33Å; I948-F1001 HydrophobicContact CB-CZ 3.94Å; I948-F1001 HydrophobicContact CG2-CE1 3.67Å; I948-F1001 HydrophobicContact CG2-CE2 4.47Å; I948-F1001 HydrophobicContact CG2-CZ 3.65Å; I948-F1001 PolarHBondContact N-O 2.89Å; I948-F1001 PolarHBondContact O-N 2.93Å; I948-F1001 VanDerWaalsContact O-N 3.09Å; L950-F1001 HydrophobicContact CB-CE1 4.13Å; V987-F1001 HydrophobicContact CB-CB 4.41Å; V987-F1001 HydrophobicContact CG2-CB 4.28Å; V987-F1001 HydrophobicContact CG2-CD2 4.39Å; V987-F1001 WeakPolarHBondContact O-CA 3.45Å; V987-F1001 WeakPolarHBondContact O-CB 3.24Å; V988-F1001 HydrophobicContact CG2-CB 4.21Å; I999-F1001 HydrophobicContact CG2-CD1 4.25Å; F1001-P1003 HydrophobicContact CD2-CB 4.47Å; F1001-P1003 HydrophobicContact CE2-CB 4.16Å; F1001-L1011 HydrophobicContact CB-CD1 4.36Å; F1001-L1011 HydrophobicContact CD1-CD1 4.04Å; F1001-L1011 HydrophobicContact CD1-CD2 4.13Å; F1001-L1011 HydrophobicContact CD2-CD1 3.58Å; F1001-L1011 HydrophobicContact CE1-CD1 4.18Å; F1001-L1011 HydrophobicContact CE1-CD2 3.58Å; F1001-L1011 HydrophobicContact CE2-CD1 3.72Å; F1001-L1011 HydrophobicContact CE2-CD2 4.09Å; F1001-L1011 HydrophobicContact CG-CD1 3.75Å; F1001-L1011 HydrophobicContact CZ-CD1 4.02Å; F1001-L1011 HydrophobicContact CZ-CD2 3.54Å; F1001-L1011 HydrophobicContact CZ-CG 4.44Å
1002Q92.5Very high92.2Very high80 Ų8039 Ų3937%0.37418%0.177SC..  trans-111.3122.7166.1-69.4-179.7-10.300108T947T947-Q1002 PolarHBondContact OG1-NE2 2.84Å
1003P92.2Very high92.3Very high1 Ų137.8 Ų37.81%0.00617%0.171CC..PPolyproline II helixtrans-74.7140.8-174.630.9-36.6000111.7F938 A940 I948 F1001F938-P1003 HydrophobicContact CD1-CB 4.24Å; F938-P1003 HydrophobicContact CE1-CB 3.99Å; A940-P1003 HydrophobicContact CB-CB 3.97Å; A940-P1003 HydrophobicContact CB-CG 4.01Å; I948-P1003 HydrophobicContact CD1-CB 4.42Å; I948-P1003 HydrophobicContact CD1-CG 3.71Å; I948-P1003 HydrophobicContact CG1-CG 4.4Å; F1001-P1003 HydrophobicContact CD2-CB 4.47Å; F1001-P1003 HydrophobicContact CE2-CB 4.16Å
1004P91.5Very high92.3Very high6 Ų637.4 Ų37.44%0.03917%0.169CC..PPolyproline II helixtrans-65.2137.8162.230.2-31.7000108.8A896 N1007 I1009A896-P1004 HydrophobicContact CB-CB 4.09Å; A896-P1004 HydrophobicContact CB-CG 4.09Å; P1004-N1007 HydrophobicContact CB-CB 4.03Å; P1004-N1007 HydrophobicContact CG-CB 3.95Å; P1004-I1009 HydrophobicContact CG-CD1 3.77Å; P1004-I1009 HydrophobicContact CG-CG1 4.08Å; P1004-I1009 HydrophobicContact CG-CG2 3.8Å
1005D89.7Confident92.3Very high20 Ų2031.7 Ų31.711%0.10714%0.142CC..THydrogen-bonded Turntrans-78.7134-169.8-161.861000112.1R898 L902 Y904 N1007R898-D1005 IonicContact CZ-OD1 3Å; R898-D1005 VanDerWaalsContact NH1-CG 3.35Å; R898-D1005 IonicContact NH1-OD1 3.54Å; R898-D1005 PolarHBondContact NH1-OD1 2.92Å; R898-D1005 IonicContact NH2-OD1 2.64Å; R898-D1005 PolarHBondContact NH2-OD1 3.02Å; L902-D1005 HydrophobicContact CD1-CB 4.18Å; L902-D1005 WeakPolarHBondContact CD1-OD2 3.49Å; Y904-D1005 WeakPolarHBondContact CE2-OD1 3.19Å; Y904-D1005 VanDerWaalsContact CE2-OD2 3.25Å; Y904-D1005 WeakPolarHBondContact CE2-OD2 3.36Å; Y904-D1005 VanDerWaalsContact CZ-OD2 3.3Å; Y904-D1005 PolarHBondContact OH-OD2 3.1Å; D1005-N1007 PolarHBondContact O-N 2.79Å; D1005-N1007 PolarHBondContact O-OD1 2.84Å; D1005-N1007 VanDerWaalsContact O-OD1 3.12Å
1006A89.9Confident92.2Very high20 Ų2023.9 Ų23.917%0.16511%0.114CC..THydrogen-bonded Turntrans54.718.6-177.200000115.9Y810 A940 F941Y810-A1006 HydrophobicContact CD2-CB 4.24Å; Y810-A1006 WeakPolarHBondContact CD2-O 3.34Å; Y810-A1006 WeakPolarHBondContact CE2-O 3.14Å; A940-A1006 PolarHBondContact O-N 3.44Å; A940-A1006 VanDerWaalsContact O-N 3.13Å; F941-A1006 HydrophobicContact CD1-CB 3.99Å; F941-A1006 HydrophobicContact CE1-CB 3.62Å
1007N91.4Very high91.9Very high33 Ų3323.7 Ų23.718%0.17611%0.109CC..  trans-105.8131.6177.6-80.641000111.2P782 S783 L939 P1004 D1005 I1009P782-N1007 PolarHBondContact O-ND2 3Å; S783-N1007 PolarHBondContact N-ND2 2.84Å; L939-N1007 VanDerWaalsContact CD1-C 3.49Å; L939-N1007 WeakPolarHBondContact CD1-O 3.5Å; P1004-N1007 HydrophobicContact CB-CB 4.03Å; P1004-N1007 HydrophobicContact CG-CB 3.95Å; D1005-N1007 PolarHBondContact O-N 2.79Å; D1005-N1007 PolarHBondContact O-OD1 2.84Å; D1005-N1007 VanDerWaalsContact O-OD1 3.12Å; N1007-I1009 HydrophobicContact CB-CG2 4.16Å; N1007-I1009 PolarHBondContact O-N 2.59Å
1008Y93.6Very high91.5Very high83 Ų8320.2 Ų20.233%0.32510%0.097SC..  trans-89.795.7171.2-178-89.8000109F937 L939F937-Y1008 HydrophobicContact CB-CE1 3.74Å; F937-Y1008 HydrophobicContact CB-CE2 3.88Å; F937-Y1008 VanDerWaalsContact CB-OH 3.28Å; F937-Y1008 WeakPolarHBondContact CB-OH 3.43Å; F937-Y1008 HydrophobicContact CD1-CD1 4.04Å; F937-Y1008 AromaticContact CD1-CE1 3.34Å; F937-Y1008 HydrophobicContact CD1-CE1 3.34Å; F937-Y1008 AromaticContact CD1-CZ 3.88Å; F937-Y1008 HydrophobicContact CE1-CE1 4.06Å; F937-Y1008 AromaticContact CG-CE1 3.65Å; F937-Y1008 HydrophobicContact CG-CE1 3.65Å; F937-Y1008 AromaticContact CG-CZ 3.66Å; F937-Y1008 WeakPolarHBondContact CG-OH 3.32Å; L939-Y1008 HydrophobicContact CB-CD2 3.99Å; L939-Y1008 HydrophobicContact CD2-CD2 4.39Å
1009I93.6Very high90.8Very high7 Ų719.8 Ų19.84%0.03610%0.095CC..EExtended strand (participates in β ladder)trans-105.4152.6-177.758.8158.1000112.1F937 F938 V987 P1004 N1007 L1011F937-I1009 CarbonylContact C-O 3.6Å; F937-I1009 WeakPolarHBondContact CA-O 3.32Å; F938-I1009 PolarHBondContact N-O 2.88Å; F938-I1009 PolarHBondContact O-N 2.88Å; V987-I1009 HydrophobicContact CG2-CD1 3.87Å; P1004-I1009 HydrophobicContact CG-CD1 3.77Å; P1004-I1009 HydrophobicContact CG-CG1 4.08Å; P1004-I1009 HydrophobicContact CG-CG2 3.8Å; N1007-I1009 HydrophobicContact CB-CG2 4.16Å; N1007-I1009 PolarHBondContact O-N 2.59Å; I1009-L1011 HydrophobicContact CD1-CD1 4.48Å; I1009-L1011 PolarHBondContact O-N 3.35Å
1010E94.7Very high89.8Confident12 Ų1224.5 Ų24.56%0.05612%0.115CC..EExtended strand (participates in β ladder)trans-78106.1162.4-179.2172.9-173.600108.3F892 R935 F937 H985 R1013F892-E1010 HydrophobicContact CD2-CB 3.89Å; F892-E1010 HydrophobicContact CD2-CG 3.68Å; F892-E1010 WeakPolarHBondContact CD2-O 3.27Å; F892-E1010 HydrophobicContact CE2-CG 4.02Å; R935-E1010 VanDerWaalsContact CG-OE1 3.23Å; R935-E1010 WeakPolarHBondContact CG-OE1 3.29Å; R935-E1010 IonicContact CZ-OE1 2.73Å; R935-E1010 IonicContact CZ-OE2 2.69Å; R935-E1010 VanDerWaalsContact CZ-OE2 3.31Å; R935-E1010 IonicContact NE-OE1 3.53Å; R935-E1010 PolarHBondContact NE-OE1 2.88Å; R935-E1010 IonicContact NE-OE2 3.26Å; R935-E1010 PolarHBondContact NE-OE2 2.75Å; R935-E1010 VanDerWaalsContact NE-OE2 3.11Å; R935-E1010 IonicContact NH2-OE1 2.84Å; R935-E1010 IonicContact NH2-OE2 3.66Å; R935-E1010 PolarHBondContact NH2-OE2 3.14Å; F937-E1010 HydrophobicContact CD1-CB 3.85Å; F937-E1010 HydrophobicContact CE1-CB 3.68Å; F937-E1010 HydrophobicContact CE1-CG 4.28Å; F937-E1010 HydrophobicContact CZ-CB 4.33Å; F937-E1010 HydrophobicContact CZ-CG 4.46Å; H985-E1010 WeakPolarHBondContact CB-O 3.16Å; H985-E1010 PolarHBondContact CD2-O 3.48Å; E1010-R1013 WeakPolarHBondContact OE1-CD 3.17Å
1011L94.5Very high88.4Confident1 Ų129.4 Ų29.41%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-75.1-45.3-172.6177.267.8000112.2L936 F938 L950 H985 V987 V988 I999 F1001 I1009L936-L1011 WeakPolarHBondContact O-CB 3.49Å; L936-L1011 PolarHBondContact O-N 3.36Å; F938-L1011 HydrophobicContact CB-CB 4.03Å; F938-L1011 HydrophobicContact CB-CD2 4.27Å; F938-L1011 HydrophobicContact CD2-CD2 4.31Å; F938-L1011 HydrophobicContact CG-CD2 4.41Å; L950-L1011 HydrophobicContact CD2-CD2 3.72Å; H985-L1011 VanDerWaalsContact CB-O 3.29Å; H985-L1011 WeakPolarHBondContact CB-O 3.12Å; H985-L1011 PolarHBondContact N-O 3.17Å; V987-L1011 HydrophobicContact CG2-CD1 3.67Å; V988-L1011 HydrophobicContact CG2-CD1 3.62Å; V988-L1011 HydrophobicContact CG2-CG 4.15Å; I999-L1011 HydrophobicContact CG2-CD2 4.4Å; F1001-L1011 HydrophobicContact CB-CD1 4.36Å; F1001-L1011 HydrophobicContact CD1-CD1 4.04Å; F1001-L1011 HydrophobicContact CD1-CD2 4.13Å; F1001-L1011 HydrophobicContact CD2-CD1 3.58Å; F1001-L1011 HydrophobicContact CE1-CD1 4.18Å; F1001-L1011 HydrophobicContact CE1-CD2 3.58Å; F1001-L1011 HydrophobicContact CE2-CD1 3.72Å; F1001-L1011 HydrophobicContact CE2-CD2 4.09Å; F1001-L1011 HydrophobicContact CG-CD1 3.75Å; F1001-L1011 HydrophobicContact CZ-CD1 4.02Å; F1001-L1011 HydrophobicContact CZ-CD2 3.54Å; F1001-L1011 HydrophobicContact CZ-CG 4.44Å; I1009-L1011 HydrophobicContact CD1-CD1 4.48Å; I1009-L1011 PolarHBondContact O-N 3.35Å
1012L94Very high87.5Confident3 Ų331 Ų312%0.01615%0.149CC..EExtended strand (participates in β ladder)trans-158.2157.5-18077.299.7000110.3L936 L950 V982 E983 F984 I999 F1014L936-L1012 HydrophobicContact CB-CG 4.2Å; L936-L1012 HydrophobicContact CD1-CD1 4.1Å; L936-L1012 HydrophobicContact CD1-CD2 4.21Å; L936-L1012 HydrophobicContact CD1-CG 4.15Å; L936-L1012 PolarHBondContact N-O 2.56Å; L950-L1012 HydrophobicContact CD2-CD2 4.28Å; V982-L1012 HydrophobicContact CG1-CD1 4.34Å; E983-L1012 WeakPolarHBondContact O-CA 3.44Å; F984-L1012 HydrophobicContact CD1-CB 3.57Å; F984-L1012 HydrophobicContact CD1-CD2 4.48Å; F984-L1012 HydrophobicContact CE1-CB 3.92Å; F984-L1012 HydrophobicContact CE1-CD2 4.16Å; F984-L1012 HydrophobicContact CE1-CG 4.43Å; I999-L1012 HydrophobicContact CD1-CD2 3.62Å; I999-L1012 HydrophobicContact CG1-CD2 4.1Å; I999-L1012 HydrophobicContact CG2-CD2 3.84Å; L1012-F1014 HydrophobicContact CD1-CD1 3.71Å; L1012-F1014 HydrophobicContact CD1-CE1 4.15Å
1013R93.9Very high86.9Confident5 Ų531.5 Ų31.52%0.01915%0.152CC..EExtended strand (participates in β ladder)trans-142.5152.4177.163.1-158.4-169171.15.8111E889 F892 V934 R935 V982 E983 E1010E889-R1013 IonicContact OE1-CZ 3.31Å; E889-R1013 IonicContact OE1-NH1 3.26Å; E889-R1013 PolarHBondContact OE1-NH1 2.85Å; E889-R1013 IonicContact OE1-NH2 3.62Å; E889-R1013 IonicContact OE2-CZ 3.12Å; E889-R1013 IonicContact OE2-NH1 3.03Å; E889-R1013 PolarHBondContact OE2-NH1 2.98Å; E889-R1013 IonicContact OE2-NH2 2.77Å; E889-R1013 PolarHBondContact OE2-NH2 2.91Å; F892-R1013 HydrophobicContact CE1-CG 4.45Å; F892-R1013 VanDerWaalsContact CE1-CZ 3.44Å; F892-R1013 HydrophobicContact CE2-CG 4.45Å; F892-R1013 HydrophobicContact CZ-CG 4.03Å; V934-R1013 CarbonylContact O-C 3.55Å; V934-R1013 WeakPolarHBondContact O-CA 3.4Å; V934-R1013 WeakPolarHBondContact O-CB 3.4Å; R935-R1013 HydrophobicContact CG-CB 4.24Å; V982-R1013 WeakPolarHBondContact CA-O 3.42Å; E983-R1013 HydrophobicContact CB-CG 3.84Å; E983-R1013 PolarHBondContact N-O 3.04Å; E983-R1013 PolarHBondContact O-N 3.44Å; E983-R1013 IonicContact OE2-CZ 2.71Å; E983-R1013 IonicContact OE2-NE 3.8Å; E983-R1013 PolarHBondContact OE2-NE 3.13Å; E983-R1013 IonicContact OE2-NH2 2.85Å; E983-R1013 PolarHBondContact OE2-NH2 2.88Å; E1010-R1013 WeakPolarHBondContact OE1-CD 3.17Å
1014F93.3Very high86.7Confident3 Ų332 Ų321%0.01315%0.154CC..EExtended strand (participates in β ladder)trans-152165-179.158.9-88.8000111.9R933 V934 L936 I977 L979 V982 L1012 V1016 T1186R933-F1014 CarbonylContact C-O 3.54Å; R933-F1014 WeakPolarHBondContact CA-O 3.4Å; V934-F1014 HydrophobicContact CB-CD1 4.19Å; V934-F1014 HydrophobicContact CB-CD2 4.11Å; V934-F1014 HydrophobicContact CB-CE1 3.78Å; V934-F1014 HydrophobicContact CB-CE2 3.68Å; V934-F1014 HydrophobicContact CB-CG 4.36Å; V934-F1014 HydrophobicContact CB-CZ 3.52Å; V934-F1014 HydrophobicContact CG1-CE1 3.87Å; V934-F1014 HydrophobicContact CG1-CE2 4.29Å; V934-F1014 HydrophobicContact CG1-CZ 3.66Å; V934-F1014 HydrophobicContact CG2-CD2 4.13Å; V934-F1014 HydrophobicContact CG2-CE2 3.54Å; V934-F1014 HydrophobicContact CG2-CZ 3.79Å; V934-F1014 PolarHBondContact N-O 2.72Å; V934-F1014 PolarHBondContact O-N 3.04Å; L936-F1014 HydrophobicContact CD1-CE1 4.17Å; I977-F1014 HydrophobicContact CD1-CE2 3.81Å; I977-F1014 HydrophobicContact CD1-CZ 3.86Å; L979-F1014 HydrophobicContact CD2-CD1 3.97Å; L979-F1014 HydrophobicContact CD2-CD2 3.49Å; L979-F1014 VanDerWaalsContact CD2-CD2 3.49Å; L979-F1014 HydrophobicContact CD2-CE1 3.86Å; L979-F1014 HydrophobicContact CD2-CE2 3.36Å; L979-F1014 HydrophobicContact CD2-CG 3.79Å; L979-F1014 HydrophobicContact CD2-CZ 3.54Å; V982-F1014 HydrophobicContact CB-CB 4.41Å; V982-F1014 HydrophobicContact CG1-CB 4.44Å; V982-F1014 HydrophobicContact CG2-CB 3.99Å; L1012-F1014 HydrophobicContact CD1-CD1 3.71Å; L1012-F1014 HydrophobicContact CD1-CE1 4.15Å; F1014-V1016 HydrophobicContact CD2-CG1 3.8Å; F1014-V1016 HydrophobicContact CE2-CG1 3.66Å; F1014-T1186 HydrophobicContact CE1-CG2 4.44Å; F1014-T1186 HydrophobicContact CZ-CG2 3.83Å; F1014-T1186 WeakPolarHBondContact CZ-OG1 3.46Å
1015R90.4Very high86.5Confident15 Ų1532.3 Ų32.36%0.05716%0.156CC..EExtended strand (participates in β ladder)trans-100.7148.7175.4-56.4-70.4-84.9154.6-11.8109.6L716 E717 F719 A932 E980 A981L716-R1015 HydrophobicContact CD1-CB 3.68Å; L716-R1015 HydrophobicContact CD1-CG 4.1Å; E717-R1015 PolarHBondContact O-NH2 2.75Å; F719-R1015 VanDerWaalsContact CB-CZ 3.46Å; F719-R1015 VanDerWaalsContact CD2-NH1 3.26Å; A932-R1015 PolarHBondContact O-NH1 3.02Å; E980-R1015 PolarHBondContact N-O 2.81Å; E980-R1015 VanDerWaalsContact N-O 3.13Å; E980-R1015 PolarHBondContact O-N 2.9Å; A981-R1015 HydrophobicContact CB-CB 4.26Å; A981-R1015 HydrophobicContact CB-CG 3.82Å
1016V87.9Confident86.5Confident15 Ų1531.3 Ų31.39%0.09115%0.151CC..EExtended strand (participates in β ladder)trans-132.1158.6167.9-60.70000108.7A932 V934 F1014 P1018A932-V1016 HydrophobicContact CB-CG2 3.68Å; A932-V1016 PolarHBondContact O-N 2.95Å; V934-V1016 HydrophobicContact CG2-CG1 4.39Å; F1014-V1016 HydrophobicContact CD2-CG1 3.8Å; F1014-V1016 HydrophobicContact CE2-CG1 3.66Å; V1016-P1018 VanDerWaalsContact O-CD 3.32Å; V1016-P1018 WeakPolarHBondContact O-CD 3.25Å
1017R84.1Confident86.5Confident35 Ų3533.3 Ų33.313%0.13216%0.157CC..  trans-104.694.3173.8-60-179.7-169.2-113.2-15.1109.5Y708 D709 D711 Q714 L716 E980Y708-R1017 CarbonylContact C-O 3.58Å; Y708-R1017 WeakPolarHBondContact CA-O 3.44Å; Y708-R1017 WeakPolarHBondContact CB-O 3.18Å; D709-R1017 HydrophobicContact CB-CB 3.94Å; D709-R1017 PolarHBondContact N-O 2.94Å; D711-R1017 PolarHBondContact O-NH1 2.89Å; Q714-R1017 PolarHBondContact O-NH1 3.35Å; Q714-R1017 PolarHBondContact O-NH2 2.84Å; L716-R1017 HydrophobicContact CD2-CG 4.01Å; E980-R1017 IonicContact OE1-NE 3.52Å; E980-R1017 PolarHBondContact OE1-NE 3.39Å; E980-R1017 IonicContact OE2-CZ 2.76Å; E980-R1017 VanDerWaalsContact OE2-CZ 3.3Å; E980-R1017 IonicContact OE2-NE 3.95Å; E980-R1017 PolarHBondContact OE2-NE 3.15Å; E980-R1017 IonicContact OE2-NH2 3.58Å; E980-R1017 PolarHBondContact OE2-NH2 3.06Å
1018P81.4Confident86.7Confident9 Ų932 Ų326%0.05815%0.15CC..  trans-60.5144.5174.7-21.934.1000110.8Q930 A932 V1016 K1020Q930-P1018 HydrophobicContact CG-CB 3.99Å; Q930-P1018 HydrophobicContact CG-CG 4.05Å; A932-P1018 HydrophobicContact CB-CG 3.69Å; V1016-P1018 VanDerWaalsContact O-CD 3.32Å; V1016-P1018 WeakPolarHBondContact O-CD 3.25Å; P1018-K1020 PolarHBondContact O-N 2.86Å
1019P75.6Confident86.7Confident6 Ų632.7 Ų32.74%0.03915%0.154CC..  trans-69.8125.9-179-1124.4000111P706 N1021 R1022P706-P1019 HydrophobicContact CG-CB 4.45Å; P706-P1019 WeakPolarHBondContact O-CG 3.28Å; P1019-N1021 PolarHBondContact O-N 2.55Å; P1019-R1022 HydrophobicContact CB-CB 4.38Å; P1019-R1022 HydrophobicContact CG-CB 4.49Å; P1019-R1022 VanDerWaalsContact O-CB 3.25Å; P1019-R1022 WeakPolarHBondContact O-CB 3.39Å; P1019-R1022 PolarHBondContact O-N 3.19Å
1020K72.1Confident86.8Confident108 Ų10832.3 Ų32.347%0.4715%0.153SC..THydrogen-bonded Turntrans-55.8-23.9-180-62.6172.1180120.20114.3D709 P1018D709-K1020 WeakPolarHBondContact OD2-CE 3.43Å; D709-K1020 IonicContact OD2-NZ 2.72Å; D709-K1020 PolarHBondContact OD2-NZ 1.79Å; P1018-K1020 PolarHBondContact O-N 2.86Å
1021N65.9Low86.8Confident151 Ų15132.7 Ų32.781%0.80716%0.156SC*.THydrogen-bonded Turntrans-956.4179.4-65.50.3000113.6P1019P1019-N1021 PolarHBondContact O-N 2.55Å
1022R75.7Confident86.7Confident38 Ų3832.7 Ų32.714%0.14316%0.156CC..SBendtrans-77.5127.9176.1-178.9177.2178.7159.22109.9P1019 L1024 Q1182 V1183 H1185P1019-R1022 HydrophobicContact CB-CB 4.38Å; P1019-R1022 HydrophobicContact CG-CB 4.49Å; P1019-R1022 VanDerWaalsContact O-CB 3.25Å; P1019-R1022 WeakPolarHBondContact O-CB 3.39Å; P1019-R1022 PolarHBondContact O-N 3.19Å; R1022-L1024 PolarHBondContact O-N 3.18Å; R1022-Q1182 PolarHBondContact NH2-O 2.79Å; R1022-V1183 PolarHBondContact NH1-O 3.14Å; R1022-H1185 PolarHBondContact NH1-CD2 2.66Å; R1022-H1185 PolarHBondContact NH1-NE2 3.04Å; R1022-H1185 PolarHBondContact NH2-NE2 3.48Å
1023E80.3Confident86.6Confident91 Ų9134.3 Ų34.343%0.42517%0.167SC..PPolyproline II helixtrans-60.8131.6174.7-176.6167.7-137.500111.4Q1027 P1048E1023-Q1027 PolarHBondContact OE1-NE2 3.11Å; E1023-P1048 VanDerWaalsContact CD-CG 3.44Å; E1023-P1048 HydrophobicContact CG-CB 4.08Å; E1023-P1048 HydrophobicContact CG-CG 3.77Å; E1023-P1048 WeakPolarHBondContact OE1-CB 3.47Å; E1023-P1048 VanDerWaalsContact OE1-CG 3.24Å; E1023-P1048 WeakPolarHBondContact OE1-CG 3.31Å; E1023-P1048 WeakPolarHBondContact OE2-CB 3.47Å
1024L87.8Confident86.4Confident10 Ų1034.7 Ų34.75%0.05217%0.17CC..PPolyproline II helixtrans-74.4138.6178.2-59.5173.9000110.3V919 I927 R1022 L1026 Y1214V919-L1024 HydrophobicContact CG1-CD1 4.2Å; V919-L1024 HydrophobicContact CG1-CD2 4.46Å; V919-L1024 HydrophobicContact CG2-CD2 4.13Å; I927-L1024 HydrophobicContact CD1-CD1 4.08Å; I927-L1024 HydrophobicContact CD1-CD2 3.89Å; I927-L1024 HydrophobicContact CD1-CG 3.99Å; I927-L1024 HydrophobicContact CG1-CD1 4.15Å; R1022-L1024 PolarHBondContact O-N 3.18Å; L1024-L1026 WeakPolarHBondContact CB-O 3.35Å; L1024-L1026 PolarHBondContact O-N 3.3Å; L1024-L1026 VanDerWaalsContact O-N 3.12Å; L1024-Y1214 HydrophobicContact CD1-CE2 4.44Å
1025P86.8Confident86.1Confident13 Ų1336.8 Ų36.88%0.08419%0.185CC..SBendtrans-62.2-20.1179.624.6-34.6000113.7P1048 F1050 F1176 M1178 Y1214P1025-P1048 WeakPolarHBondContact O-CD 3.25Å; P1025-F1050 HydrophobicContact CB-CB 4.43Å; P1025-F1176 HydrophobicContact CG-CE2 4.14Å; P1025-F1176 HydrophobicContact CG-CZ 4.09Å; P1025-M1178 HydrophobicContact CB-CE 3.91Å; P1025-M1178 HydrophobicContact CB-SD 3.52Å; P1025-M1178 VanDerWaalsContact CB-SD 3.52Å; P1025-M1178 HydrophobicContact CG-SD 3.65Å; P1025-Y1214 WeakPolarHBondContact CD-OH 3.49Å
1026L89.7Confident85.8Confident0 Ų038.3 Ų38.30%021%0.205CC..SBendtrans-135.5137.9169.8-174.2149.9000108.7L1024 L1028 I1045 V1047 V1063 L1139 V1174 F1176 Y1214L1024-L1026 WeakPolarHBondContact CB-O 3.35Å; L1024-L1026 PolarHBondContact O-N 3.3Å; L1024-L1026 VanDerWaalsContact O-N 3.12Å; L1026-L1028 HydrophobicContact CD2-CB 4.41Å; L1026-I1045 HydrophobicContact CD1-CG2 3.92Å; L1026-I1045 HydrophobicContact CD2-CG2 4.18Å; L1026-I1045 HydrophobicContact CG-CG2 3.86Å; L1026-V1047 HydrophobicContact CD1-CG2 4.38Å; L1026-V1047 HydrophobicContact CG-CG2 4.35Å; L1026-V1063 HydrophobicContact CD1-CG1 3.71Å; L1026-V1063 HydrophobicContact CD1-CG2 4.34Å; L1026-L1139 HydrophobicContact CD1-CD1 4.37Å; L1026-V1174 HydrophobicContact CD2-CG1 4.26Å; L1026-F1176 HydrophobicContact CB-CE1 4.11Å; L1026-F1176 HydrophobicContact CB-CE2 4.49Å; L1026-F1176 HydrophobicContact CB-CZ 3.88Å; L1026-Y1214 HydrophobicContact CB-CE2 4.44Å; L1026-Y1214 WeakPolarHBondContact O-CE2 3.32Å
1027Q91Very high85.7Confident62 Ų6241.9 Ų41.929%0.2922%0.224SC..EExtended strand (participates in β ladder)trans-119.3133.7172.9-63.4171.618.900108.3E1023 I1045 L1046 P1048E1023-Q1027 PolarHBondContact OE1-NE2 3.11Å; Q1027-I1045 CarbonylContact O-C 3.36Å; Q1027-I1045 WeakPolarHBondContact O-CA 3.36Å; Q1027-L1046 HydrophobicContact CB-CB 4.4Å; Q1027-L1046 PolarHBondContact N-O 2.83Å; Q1027-L1046 PolarHBondContact O-N 3.02Å; Q1027-P1048 HydrophobicContact CG-CG 4.45Å
1028L94.2Very high85.9Confident5 Ų546.6 Ų46.63%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-119.9129.2175173.265.7000108.4L1026 A1043 D1044 I1045 V1065 A1172 V1174 V1216L1026-L1028 HydrophobicContact CD2-CB 4.41Å; L1028-A1043 HydrophobicContact CD1-CB 4.2Å; L1028-D1044 WeakPolarHBondContact CA-O 3.14Å; L1028-I1045 HydrophobicContact CD1-CG1 3.89Å; L1028-V1065 HydrophobicContact CD2-CG1 3.83Å; L1028-A1172 HydrophobicContact CD2-CB 4.04Å; L1028-V1174 HydrophobicContact CD2-CG2 3.52Å; L1028-V1216 HydrophobicContact CB-CG1 4.34Å; L1028-V1216 HydrophobicContact CB-CG2 4.41Å; L1028-V1216 HydrophobicContact CD2-CB 4.2Å; L1028-V1216 HydrophobicContact CD2-CG1 4.35Å; L1028-V1216 HydrophobicContact CD2-CG2 4.26Å; L1028-V1216 HydrophobicContact CG-CG1 4.33Å; L1028-V1216 WeakPolarHBondContact O-CG1 3.34Å
1029K94.7Very high86.4Confident97 Ų9746.2 Ų46.242%0.42224%0.243SC..EExtended strand (participates in β ladder)trans-111.4136158.4179.5164.9180169.20109A1043 D1044 E1219K1029-A1043 CarbonylContact O-C 3.49Å; K1029-A1043 VanDerWaalsContact O-CA 3.29Å; K1029-A1043 WeakPolarHBondContact O-CA 3.25Å; K1029-D1044 PolarHBondContact N-O 2.79Å; K1029-D1044 PolarHBondContact O-N 3.33Å; K1029-E1219 WeakPolarHBondContact CE-OE2 3.37Å; K1029-E1219 IonicContact NZ-OE1 2.67Å; K1029-E1219 IonicContact NZ-OE2 2.8Å; K1029-E1219 PolarHBondContact NZ-OE2 3.23Å
1030A95.3Very high87.2Confident0 Ų047.6 Ų47.60%025%0.249CC..EExtended strand (participates in β ladder)trans-134139.4176.100000110.9R1042 A1043 F1067 I1218 E1219A1030-R1042 CarbonylContact C-O 3.48Å; A1030-R1042 WeakPolarHBondContact CA-O 3.39Å; A1030-A1043 HydrophobicContact CB-CB 4.28Å; A1030-F1067 HydrophobicContact CB-CE1 4.01Å; A1030-I1218 HydrophobicContact CB-CB 4.42Å; A1030-I1218 HydrophobicContact CB-CG1 4.09Å; A1030-I1218 HydrophobicContact CB-CG2 3.99Å; A1030-I1218 WeakPolarHBondContact O-CA 3.36Å; A1030-E1219 PolarHBondContact O-N 3.27Å
1031T94.5Very high88.2Confident20 Ų2042.4 Ų42.412%0.12323%0.226CC..EExtended strand (participates in β ladder)trans-139.4127.8-178.1-50.90000110.6R1042 E1219 T1221T1031-R1042 PolarHBondContact N-O 3.08Å; T1031-R1042 PolarHBondContact O-N 2.96Å; T1031-E1219 CarbonylContact C-O 3.55Å; T1031-E1219 WeakPolarHBondContact CA-O 3.38Å; T1031-E1219 HydrophobicContact CG2-CB 4.01Å; T1031-E1219 HydrophobicContact CG2-CG 4Å; T1031-E1219 PolarHBondContact OG1-OE2 2.8Å; T1031-T1221 HydrophobicContact CG2-CG2 4.07Å
1032W93Very high89.6Confident0 Ų040.2 Ų40.20%021%0.207CC..EExtended strand (participates in β ladder)trans-85.6130.6162.8-74.3117000110V1039 L1041 I1069 W1073 M1156 L1168 I1218 E1219 T1220 T1221W1032-V1039 HydrophobicContact CE3-CG1 3.72Å; W1032-V1039 HydrophobicContact CZ3-CG1 3.81Å; W1032-L1041 HydrophobicContact CD2-CD1 4.06Å; W1032-L1041 HydrophobicContact CE3-CB 3.86Å; W1032-L1041 HydrophobicContact CE3-CD1 4.2Å; W1032-L1041 HydrophobicContact CH2-CB 4.13Å; W1032-L1041 HydrophobicContact CH2-CD1 4.44Å; W1032-L1041 HydrophobicContact CH2-CD2 4.24Å; W1032-L1041 HydrophobicContact CZ2-CD1 4.3Å; W1032-L1041 HydrophobicContact CZ3-CB 3.62Å; W1032-L1041 HydrophobicContact CZ3-CD1 4.4Å; W1032-L1041 HydrophobicContact CZ3-CG 4.41Å; W1032-I1069 HydrophobicContact CH2-CD1 3.88Å; W1032-I1069 HydrophobicContact CZ2-CD1 4.4Å; W1032-W1073 HydrophobicContact CH2-CZ3 4.26Å; W1032-W1073 HydrophobicContact CZ3-CZ3 4.21Å; W1032-M1156 HydrophobicContact CH2-CE 4.17Å; W1032-M1156 HydrophobicContact CZ3-CE 3.69Å; W1032-L1168 HydrophobicContact CB-CD1 4.04Å; W1032-L1168 HydrophobicContact CD2-CD1 3.9Å; W1032-L1168 HydrophobicContact CE3-CD1 4.31Å; W1032-L1168 HydrophobicContact CG-CD1 3.77Å; W1032-I1218 HydrophobicContact CG-CG2 4.06Å; W1032-E1219 PolarHBondContact N-O 2.89Å; W1032-T1220 HydrophobicContact CB-CG2 4.26Å; W1032-T1221 PolarHBondContact O-N 2.85Å; W1032-T1221 PolarHBondContact O-OG1 3.49Å
1033C91.6Very high90.5Very high37 Ų3738.5 Ų38.525%0.2520%0.2CC..EExtended strand (participates in β ladder)trans-119.7102.4174.8-61.40000109.6V1039 E1040C1033-V1039 WeakPolarHBondContact O-CA 3.45Å; C1033-E1040 HydrophobicContact CB-CB 4.33Å; C1033-E1040 PolarHBondContact N-O 2.74Å; C1033-E1040 PolarHBondContact O-N 2.72Å
1034V89.4Confident91.2Very high13 Ų1337.2 Ų37.28%0.07920%0.196CC..EExtended strand (participates in β ladder)trans-99.2117.6177.6-178.80000109V1039 I1164 L1168 T1221 H1222 G1223V1034-V1039 HydrophobicContact CG1-CG2 4.33Å; V1034-V1039 HydrophobicContact CG2-CG1 4.29Å; V1034-V1039 HydrophobicContact CG2-CG2 4.26Å; V1034-I1164 HydrophobicContact CG1-CD1 4.14Å; V1034-L1168 HydrophobicContact CG2-CD1 3.93Å; V1034-T1221 PolarHBondContact N-O 3.3Å; V1034-H1222 CarbonylContact O-C 3.54Å; V1034-H1222 WeakPolarHBondContact O-CA 3.45Å; V1034-G1223 PolarHBondContact O-N 2.82Å
1035S86.8Confident91.5Very high48 Ų4836.8 Ų36.834%0.33619%0.194SC..EExtended strand (participates in β ladder)trans-136.8104.3175.3-166.60000111.7N1037 K1038 G1223S1035-N1037 PolarHBondContact O-N 3.13Å; S1035-K1038 PolarHBondContact N-O 2.82Å; S1035-K1038 PolarHBondContact O-N 3.08Å; S1035-G1223 WeakPolarHBondContact CA-O 3.49Å; S1035-G1223 WeakPolarHBondContact CB-O 3.45Å; S1035-G1223 PolarHBondContact OG-O 2.66Å
1036G83.3Confident91.7Very high47 Ų4738.3 Ų38.349%0.48520%0.201SC..THydrogen-bonded Turntrans58.1-121.2-172.200000110.8
1037N86.4Confident91.5Very high89 Ų8938.6 Ų38.648%0.47620%0.203SC..THydrogen-bonded Turntrans-91.28.7176.476.7-50.3000114S1035 L1158S1035-N1037 PolarHBondContact O-N 3.13Å; N1037-L1158 WeakPolarHBondContact CB-O 3.34Å; N1037-L1158 PolarHBondContact ND2-O 2.94Å; N1037-L1158 WeakPolarHBondContact O-CB 3.24Å; N1037-L1158 PolarHBondContact O-N 3.26Å
1038K88.4Confident91Very high134 Ų13436 Ų3658%0.58319%0.192SC*.EExtended strand (participates in β ladder)trans-106.4128.4175.8-65.2-169.9175.7-167.20110.2S1035 M1156S1035-K1038 PolarHBondContact N-O 2.82Å; S1035-K1038 PolarHBondContact O-N 3.08Å; K1038-M1156 WeakPolarHBondContact CA-O 3.45Å
1039V91.3Very high89.5Confident2 Ų236.2 Ų36.21%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-120.9120.9174-178.70000108.1W1032 C1033 V1034 W1073 M1156 L1158W1032-V1039 HydrophobicContact CE3-CG1 3.72Å; W1032-V1039 HydrophobicContact CZ3-CG1 3.81Å; C1033-V1039 WeakPolarHBondContact O-CA 3.45Å; V1034-V1039 HydrophobicContact CG1-CG2 4.33Å; V1034-V1039 HydrophobicContact CG2-CG1 4.29Å; V1034-V1039 HydrophobicContact CG2-CG2 4.26Å; V1039-W1073 HydrophobicContact CB-CH2 4.44Å; V1039-W1073 HydrophobicContact CG1-CH2 3.93Å; V1039-W1073 HydrophobicContact CG1-CZ3 4.07Å; V1039-W1073 HydrophobicContact CG2-CH2 4.11Å; V1039-W1073 HydrophobicContact CG2-CZ2 4.34Å; V1039-M1156 HydrophobicContact CB-CB 4.44Å; V1039-M1156 HydrophobicContact CB-CE 4.1Å; V1039-M1156 HydrophobicContact CG1-CE 3.78Å; V1039-M1156 PolarHBondContact N-O 3.26Å; V1039-M1156 PolarHBondContact O-N 3.25Å; V1039-L1158 HydrophobicContact CG2-CD1 3.74Å; V1039-L1158 HydrophobicContact CG2-CG 4.32Å
1040E92.6Very high88.1Confident34 Ų3434.6 Ų34.616%0.15919%0.188CC..EExtended strand (participates in β ladder)trans-117.6123.2176.6-170176.1-140.700110.1C1033 R1042 V1153 C1154 R1155C1033-E1040 HydrophobicContact CB-CB 4.33Å; C1033-E1040 PolarHBondContact N-O 2.74Å; C1033-E1040 PolarHBondContact O-N 2.72Å; E1040-R1042 VanDerWaalsContact CD-NE 3.31Å; E1040-R1042 HydrophobicContact CG-CG 4.11Å; E1040-R1042 IonicContact OE1-CZ 3.77Å; E1040-R1042 IonicContact OE1-NE 2.87Å; E1040-R1042 IonicContact OE1-NH2 3.9Å; E1040-R1042 PolarHBondContact OE1-NH2 3.44Å; E1040-R1042 IonicContact OE2-CZ 3.8Å; E1040-R1042 IonicContact OE2-NE 3.85Å; E1040-R1042 PolarHBondContact OE2-NE 3.4Å; E1040-R1042 IonicContact OE2-NH2 3.27Å; E1040-R1042 PolarHBondContact OE2-NH2 2.79Å; E1040-V1153 HydrophobicContact CG-CG1 3.92Å; E1040-V1153 WeakPolarHBondContact OE1-CG1 3.48Å; E1040-C1154 CarbonylContact C-O 3.59Å; E1040-C1154 VanDerWaalsContact CA-O 3.25Å; E1040-C1154 WeakPolarHBondContact CA-O 3.37Å; E1040-R1155 HydrophobicContact CG-CG 3.86Å; E1040-R1155 WeakPolarHBondContact OE1-CG 3.49Å; E1040-R1155 IonicContact OE1-CZ 3.31Å; E1040-R1155 IonicContact OE1-NE 3.11Å; E1040-R1155 PolarHBondContact OE1-NE 3.09Å; E1040-R1155 IonicContact OE1-NH2 2.71Å
1041L94.3Very high86.5Confident0 Ų039.3 Ų39.30%022%0.217CC..EExtended strand (participates in β ladder)trans-91125.8167175.163.5000108.2W1032 F1067 L1152 V1153 C1154W1032-L1041 HydrophobicContact CD2-CD1 4.06Å; W1032-L1041 HydrophobicContact CE3-CB 3.86Å; W1032-L1041 HydrophobicContact CE3-CD1 4.2Å; W1032-L1041 HydrophobicContact CH2-CB 4.13Å; W1032-L1041 HydrophobicContact CH2-CD1 4.44Å; W1032-L1041 HydrophobicContact CH2-CD2 4.24Å; W1032-L1041 HydrophobicContact CZ2-CD1 4.3Å; W1032-L1041 HydrophobicContact CZ3-CB 3.62Å; W1032-L1041 HydrophobicContact CZ3-CD1 4.4Å; W1032-L1041 HydrophobicContact CZ3-CG 4.41Å; L1041-F1067 HydrophobicContact CD1-CD1 4.34Å; L1041-F1067 HydrophobicContact CD2-CB 3.88Å; L1041-F1067 HydrophobicContact CD2-CD1 4.03Å; L1041-F1067 HydrophobicContact CD2-CD2 4.27Å; L1041-F1067 HydrophobicContact CD2-CG 3.81Å; L1041-L1152 HydrophobicContact CD2-CD2 4.23Å; L1041-L1152 HydrophobicContact CG-CD2 4.4Å; L1041-V1153 CarbonylContact O-C 3.53Å; L1041-V1153 WeakPolarHBondContact O-CA 3.18Å; L1041-C1154 HydrophobicContact CB-CB 4.22Å; L1041-C1154 PolarHBondContact N-O 2.92Å; L1041-C1154 PolarHBondContact O-N 3.46Å
1042R94.5Very high84.9Confident105 Ų10540.1 Ų40.140%0.39622%0.223SC..EExtended strand (participates in β ladder)trans-118.4131.9173-65.9176.2170.6-93.2-3.9108.6A1030 T1031 E1040A1030-R1042 CarbonylContact C-O 3.48Å; A1030-R1042 WeakPolarHBondContact CA-O 3.39Å; T1031-R1042 PolarHBondContact N-O 3.08Å; T1031-R1042 PolarHBondContact O-N 2.96Å; E1040-R1042 VanDerWaalsContact CD-NE 3.31Å; E1040-R1042 HydrophobicContact CG-CG 4.11Å; E1040-R1042 IonicContact OE1-CZ 3.77Å; E1040-R1042 IonicContact OE1-NE 2.87Å; E1040-R1042 IonicContact OE1-NH2 3.9Å; E1040-R1042 PolarHBondContact OE1-NH2 3.44Å; E1040-R1042 IonicContact OE2-CZ 3.8Å; E1040-R1042 IonicContact OE2-NE 3.85Å; E1040-R1042 PolarHBondContact OE2-NE 3.4Å; E1040-R1042 IonicContact OE2-NH2 3.27Å; E1040-R1042 PolarHBondContact OE2-NH2 2.79Å
1043A95.6Very high83.3Confident1 Ų148.7 Ų48.71%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-140.3127.8175.700000111L1028 K1029 A1030 F1067 Q1151 L1152L1028-A1043 HydrophobicContact CD1-CB 4.2Å; K1029-A1043 CarbonylContact O-C 3.49Å; K1029-A1043 VanDerWaalsContact O-CA 3.29Å; K1029-A1043 WeakPolarHBondContact O-CA 3.25Å; A1030-A1043 HydrophobicContact CB-CB 4.28Å; A1043-F1067 HydrophobicContact CB-CE1 3.76Å; A1043-F1067 HydrophobicContact CB-CE2 4.34Å; A1043-F1067 HydrophobicContact CB-CZ 3.39Å; A1043-Q1151 CarbonylContact O-C 3.57Å; A1043-Q1151 WeakPolarHBondContact O-CA 3.35Å; A1043-L1152 HydrophobicContact CB-CB 4.39Å; A1043-L1152 PolarHBondContact N-O 2.89Å; A1043-L1152 PolarHBondContact O-N 3.11Å
1044D94.7Very high81.6Confident64 Ų6453.1 Ų53.134%0.34227%0.271SS..EExtended strand (participates in β ladder)trans-115.2118.5178.8-74.9-46000109.4L1028 K1029 H1150 Q1151L1028-D1044 WeakPolarHBondContact CA-O 3.14Å; K1029-D1044 PolarHBondContact N-O 2.79Å; K1029-D1044 PolarHBondContact O-N 3.33Å; D1044-H1150 CarbonylContact C-O 3.38Å; D1044-H1150 WeakPolarHBondContact CA-O 3.42Å; D1044-Q1151 WeakPolarHBondContact OD1-CB 3.19Å; D1044-Q1151 WeakPolarHBondContact OD1-CG 3.34Å; D1044-Q1151 PolarHBondContact OD1-NE2 3.27Å
1045I93.6Very high80.3Confident2 Ų257.6 Ų57.61%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-92.6128166.9-66.8172.9000108L1026 Q1027 L1028 V1047 V1065 W1134 L1139 T1149 H1150L1026-I1045 HydrophobicContact CD1-CG2 3.92Å; L1026-I1045 HydrophobicContact CD2-CG2 4.18Å; L1026-I1045 HydrophobicContact CG-CG2 3.86Å; Q1027-I1045 CarbonylContact O-C 3.36Å; Q1027-I1045 WeakPolarHBondContact O-CA 3.36Å; L1028-I1045 HydrophobicContact CD1-CG1 3.89Å; I1045-V1047 HydrophobicContact CG2-CG2 3.97Å; I1045-V1065 HydrophobicContact CD1-CG2 3.86Å; I1045-W1134 HydrophobicContact CB-CH2 4.27Å; I1045-W1134 HydrophobicContact CB-CZ3 4.47Å; I1045-W1134 HydrophobicContact CD1-CD2 4.38Å; I1045-W1134 HydrophobicContact CD1-CE3 3.79Å; I1045-W1134 HydrophobicContact CD1-CH2 3.63Å; I1045-W1134 HydrophobicContact CD1-CZ2 4.22Å; I1045-W1134 HydrophobicContact CD1-CZ3 3.4Å; I1045-W1134 VanDerWaalsContact CD1-CZ3 3.4Å; I1045-W1134 HydrophobicContact CG1-CE3 4.4Å; I1045-W1134 HydrophobicContact CG1-CH2 3.87Å; I1045-W1134 HydrophobicContact CG1-CZ3 3.61Å; I1045-L1139 HydrophobicContact CD1-CD1 4.38Å; I1045-L1139 HydrophobicContact CG2-CD1 4.1Å; I1045-T1149 CarbonylContact O-C 3.53Å; I1045-T1149 VanDerWaalsContact O-CA 3.28Å; I1045-T1149 WeakPolarHBondContact O-CA 3.01Å; I1045-H1150 PolarHBondContact N-O 3.49Å; I1045-H1150 PolarHBondContact O-N 3.1Å
1046L90.5Very high79.5Confident44 Ų4457 Ų5723%0.2330%0.295CS..EExtended strand (participates in β ladder)trans-113.2134.5166-178.3149.2000108.7Q1027 P1048 Y1147 T1149Q1027-L1046 HydrophobicContact CB-CB 4.4Å; Q1027-L1046 PolarHBondContact N-O 2.83Å; Q1027-L1046 PolarHBondContact O-N 3.02Å; L1046-P1048 HydrophobicContact CD2-CG 3.68Å; L1046-Y1147 HydrophobicContact CD2-CD1 4.03Å; L1046-T1149 HydrophobicContact CB-CG2 4.07Å; L1046-T1149 HydrophobicContact CD1-CG2 3.86Å; L1046-T1149 HydrophobicContact CG-CG2 4.1Å
1047V86.8Confident79Confident6 Ų658 Ų584%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-116105.7175.2175.90000108.9L1026 I1045 G1049 L1139 Y1147 T1148L1026-V1047 HydrophobicContact CD1-CG2 4.38Å; L1026-V1047 HydrophobicContact CG-CG2 4.35Å; I1045-V1047 HydrophobicContact CG2-CG2 3.97Å; V1047-G1049 PolarHBondContact O-N 2.67Å; V1047-G1049 VanDerWaalsContact O-N 3.09Å; V1047-L1139 HydrophobicContact CG2-CB 4.07Å; V1047-L1139 HydrophobicContact CG2-CD1 4.41Å; V1047-Y1147 WeakPolarHBondContact O-CA 3.18Å; V1047-Y1147 PolarHBondContact O-N 2.79Å; V1047-T1148 PolarHBondContact N-O 3.41Å
1048P78.9Confident78.6Confident9 Ų954.1 Ų54.16%0.05827%0.266CS..  trans-62.8-16.1-177.5-25.236.7000114.4E1023 P1025 Q1027 L1046 A1146 Y1147E1023-P1048 VanDerWaalsContact CD-CG 3.44Å; E1023-P1048 HydrophobicContact CG-CB 4.08Å; E1023-P1048 HydrophobicContact CG-CG 3.77Å; E1023-P1048 WeakPolarHBondContact OE1-CB 3.47Å; E1023-P1048 VanDerWaalsContact OE1-CG 3.24Å; E1023-P1048 WeakPolarHBondContact OE1-CG 3.31Å; E1023-P1048 WeakPolarHBondContact OE2-CB 3.47Å; P1025-P1048 WeakPolarHBondContact O-CD 3.25Å; Q1027-P1048 HydrophobicContact CG-CG 4.45Å; L1046-P1048 HydrophobicContact CD2-CG 3.68Å; P1048-A1146 WeakPolarHBondContact O-CB 3.47Å; P1048-Y1147 HydrophobicContact CB-CD1 4.33Å; P1048-Y1147 HydrophobicContact CB-CE1 3.86Å
1049G63.1Low78.5Confident9 Ų948.4 Ų48.49%0.09324%0.243CC..  trans84.668.8174.200000112.8V1047 T1051V1047-G1049 PolarHBondContact O-N 2.67Å; V1047-G1049 VanDerWaalsContact O-N 3.09Å; G1049-T1051 PolarHBondContact O-N 3.23Å; G1049-T1051 PolarHBondContact O-OG1 2.8Å
1050F66.2Low78.4Confident63 Ų6348.4 Ų48.428%0.27624%0.243SC..  trans-58.2112.6179.6-163.8-93.5000111P1025 I1058 M1178 T1181P1025-F1050 HydrophobicContact CB-CB 4.43Å; F1050-I1058 HydrophobicContact CD1-CD1 4.36Å; F1050-I1058 PolarHBondContact O-N 2.99Å; F1050-M1178 HydrophobicContact CB-CE 3.94Å; F1050-M1178 HydrophobicContact CD1-CE 4.3Å; F1050-M1178 HydrophobicContact CG-CE 4.26Å; F1050-T1181 WeakPolarHBondContact CE1-OG1 3.44Å
1051T60.8Low78.3Confident98 Ų9849.8 Ų49.860%0.60125%0.249SC*.EExtended strand (participates in β ladder)trans-114.6115.7-170.7-61.10000110.7G1049 G1056G1049-T1051 PolarHBondContact O-N 3.23Å; G1049-T1051 PolarHBondContact O-OG1 2.8Å; T1051-G1056 CarbonylContact C-O 3.56Å; T1051-G1056 WeakPolarHBondContact CA-O 3.26Å
1052S61.2Low78.3Confident37 Ų3755.5 Ų55.526%0.25928%0.28SS..EExtended strand (participates in β ladder)trans-93.5132.1174.5173.10000110.7K1054 L1055 G1056S1052-K1054 PolarHBondContact O-N 3.2Å; S1052-K1054 PolarHBondContact OG-N 3.29Å; S1052-L1055 PolarHBondContact O-N 2.91Å; S1052-L1055 VanDerWaalsContact O-N 3.17Å; S1052-G1056 PolarHBondContact N-O 2.99Å; S1052-G1056 WeakPolarHBondContact O-CA 3.23Å; S1052-G1056 PolarHBondContact O-N 3.18Å
1053R59Low78.2Confident180 Ų18050.5 Ų50.568%0.67926%0.261SS*.THydrogen-bonded Turntrans-54.2-21.5175.9-72.6177.9-70.8169.42.3114.1E974E974-R1053 IonicContact OE1-CZ 3.67Å; E974-R1053 IonicContact OE1-NH1 3.82Å; E974-R1053 PolarHBondContact OE1-NH1 3.44Å; E974-R1053 IonicContact OE1-NH2 3.79Å; E974-R1053 PolarHBondContact OE1-NH2 2.82Å; E974-R1053 IonicContact OE2-CZ 2.85Å; E974-R1053 VanDerWaalsContact OE2-CZ 3.23Å; E974-R1053 IonicContact OE2-NH1 3.89Å; E974-R1053 PolarHBondContact OE2-NH1 2.93Å; E974-R1053 IonicContact OE2-NH2 3.58Å; E974-R1053 PolarHBondContact OE2-NH2 2.8Å
1054K57.2Low78.2Confident130 Ų13051.1 Ų51.157%0.56527%0.265SS*.THydrogen-bonded Turntrans-98.8-27.4-178.5-63.8173.8-174162.30114.1A972 S1052A972-K1054 PolarHBondContact O-NZ 3.24Å; S1052-K1054 PolarHBondContact O-N 3.2Å; S1052-K1054 PolarHBondContact OG-N 3.29Å
1055L60.6Low78.3Confident108 Ų10848 Ų4857%0.56525%0.249SC*.THydrogen-bonded Turntrans-119.5-6.2-171.6-11070.9000114.1S1052 I1058 A1180S1052-L1055 PolarHBondContact O-N 2.91Å; S1052-L1055 VanDerWaalsContact O-N 3.17Å; L1055-I1058 HydrophobicContact CB-CG1 4.29Å; L1055-A1180 HydrophobicContact CD2-CB 3.54Å
1056G70Confident78.3Confident35 Ų3548.8 Ų48.836%0.36125%0.252SS..EExtended strand (participates in β ladder)trans71-144.7-168.700000111.6T1051 S1052 I1058T1051-G1056 CarbonylContact C-O 3.56Å; T1051-G1056 WeakPolarHBondContact CA-O 3.26Å; S1052-G1056 PolarHBondContact N-O 2.99Å; S1052-G1056 WeakPolarHBondContact O-CA 3.23Å; S1052-G1056 PolarHBondContact O-N 3.18Å; G1056-I1058 PolarHBondContact O-N 3.32Å
1057Q73.1Confident78.6Confident69 Ų6946.7 Ų46.732%0.32224%0.241SC..EExtended strand (participates in β ladder)trans-73.8109.6-178.6-170-174.739.100110P1140 Q1144Q1057-P1140 VanDerWaalsContact CD-CG 3.5Å; Q1057-P1140 HydrophobicContact CG-CG 4.09Å; Q1057-P1140 VanDerWaalsContact NE2-CG 3.3Å; Q1057-Q1144 PolarHBondContact NE2-O 3.42Å; Q1057-Q1144 PolarHBondContact OE1-O 2.95Å
1058I78.2Confident78.9Confident7 Ų748.1 Ų48.14%0.03625%0.25CS..PPolyproline II helixtrans-80.4125.2178.5-60-178000108.9F1050 L1055 G1056 M1178 P1179F1050-I1058 HydrophobicContact CD1-CD1 4.36Å; F1050-I1058 PolarHBondContact O-N 2.99Å; L1055-I1058 HydrophobicContact CB-CG1 4.29Å; G1056-I1058 PolarHBondContact O-N 3.32Å; I1058-M1178 HydrophobicContact CB-CE 4.28Å; I1058-M1178 HydrophobicContact CG2-CE 3.88Å; I1058-P1179 WeakPolarHBondContact CG2-O 3.4Å
1059P86.6Confident79.5Confident14 Ų1448.1 Ų48.19%0.09125%0.249CC..PPolyproline II helixtrans-74.8152.6175.731.8-35.1000112.2E1061 R1138 P1179P1059-E1061 HydrophobicContact CB-CG 4.06Å; P1059-E1061 HydrophobicContact CG-CG 3.91Å; P1059-E1061 VanDerWaalsContact CG-OE1 3.29Å; P1059-E1061 WeakPolarHBondContact CG-OE1 3.38Å; P1059-R1138 HydrophobicContact CB-CG 3.59Å; P1059-R1138 HydrophobicContact CG-CG 4.34Å; P1059-P1179 HydrophobicContact CG-CG 4.48Å
1060C89.2Confident80.8Confident2 Ų248.7 Ų48.71%0.01425%0.252CS..EExtended strand (participates in β ladder)trans-84.3124.8153.1-57.70000107.7V1063 R1138 L1139 F1176 T1177 M1178C1060-V1063 HydrophobicContact CB-CG2 3.67Å; C1060-R1138 CarbonylContact O-C 3.53Å; C1060-R1138 WeakPolarHBondContact O-CA 3.35Å; C1060-L1139 PolarHBondContact N-O 2.84Å; C1060-L1139 PolarHBondContact O-N 2.95Å; C1060-F1176 HydrophobicContact CB-CD2 3.69Å; C1060-F1176 HydrophobicContact CB-CE2 4.13Å; C1060-F1176 HydrophobicContact CB-CG 4.44Å; C1060-F1176 VanDerWaalsContact SG-CE2 3.58Å; C1060-T1177 CarbonylContact C-O 3.58Å; C1060-T1177 WeakPolarHBondContact CA-O 3.49Å; C1060-M1178 HydrophobicContact CB-CG 4.49Å
1061E91.3Very high81.7Confident63 Ų6351.4 Ų51.429%0.29427%0.265SS..EExtended strand (participates in β ladder)trans-114.2149.5-176-65.8-177.9165.100110.6P1059 V1063 P1137 R1138 T1177 P1179P1059-E1061 HydrophobicContact CB-CG 4.06Å; P1059-E1061 HydrophobicContact CG-CG 3.91Å; P1059-E1061 VanDerWaalsContact CG-OE1 3.29Å; P1059-E1061 WeakPolarHBondContact CG-OE1 3.38Å; E1061-V1063 PolarHBondContact O-N 2.8Å; E1061-P1137 WeakPolarHBondContact CA-O 3.38Å; E1061-R1138 HydrophobicContact CG-CG 4.4Å; E1061-T1177 PolarHBondContact N-O 2.65Å; E1061-T1177 PolarHBondContact O-N 3.48Å; E1061-T1177 PolarHBondContact O-OG1 2.83Å; E1061-P1179 WeakPolarHBondContact OE2-CG 3.17Å
1062D92.3Very high83Confident119 Ų11949.1 Ų49.164%0.63625%0.253SS*.EExtended strand (participates in β ladder)trans5336.4-175.9-67-47.9000114.7S1064 P1137D1062-S1064 PolarHBondContact O-N 3.27Å; D1062-P1137 PolarHBondContact N-O 3.45Å
1063V94.2Very high84.4Confident1 Ų147.4 Ų47.41%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-61.2119-179.5-175.10000110.6L1026 C1060 E1061 R1135 C1136 L1139 F1176L1026-V1063 HydrophobicContact CD1-CG1 3.71Å; L1026-V1063 HydrophobicContact CD1-CG2 4.34Å; C1060-V1063 HydrophobicContact CB-CG2 3.67Å; E1061-V1063 PolarHBondContact O-N 2.8Å; V1063-R1135 CarbonylContact O-C 3.58Å; V1063-R1135 VanDerWaalsContact O-CA 3.26Å; V1063-R1135 WeakPolarHBondContact O-CA 3.48Å; V1063-C1136 HydrophobicContact CB-CB 4.24Å; V1063-C1136 WeakPolarHBondContact CB-O 3.5Å; V1063-C1136 PolarHBondContact N-O 2.89Å; V1063-C1136 VanDerWaalsContact N-O 3.13Å; V1063-C1136 PolarHBondContact O-N 2.81Å; V1063-L1139 HydrophobicContact CB-CD1 4.3Å; V1063-L1139 HydrophobicContact CG1-CD1 4.18Å; V1063-L1139 HydrophobicContact CG2-CB 4.36Å; V1063-L1139 HydrophobicContact CG2-CD1 4.16Å; V1063-L1139 HydrophobicContact CG2-CG 4.15Å; V1063-F1176 HydrophobicContact CB-CB 4.2Å; V1063-F1176 HydrophobicContact CG1-CB 4.41Å; V1063-F1176 HydrophobicContact CG2-CB 3.8Å; V1063-F1176 HydrophobicContact CG2-CG 4.47Å
1064S94.7Very high85.8Confident13 Ų1339.4 Ų39.49%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-129107.6-176.81770000110.1D1062 W1134 E1175D1062-S1064 PolarHBondContact O-N 3.27Å; S1064-W1134 WeakPolarHBondContact CA-O 3.1Å; S1064-E1175 PolarHBondContact N-O 3.48Å; S1064-E1175 PolarHBondContact O-N 2.84Å
1065V96.6Very high87.2Confident0 Ų038.4 Ų38.40%020%0.204CC..EExtended strand (participates in β ladder)trans-100.4126.3174.3-172.80000110L1028 I1045 F1067 V1133 W1134 A1172 F1173 V1174L1028-V1065 HydrophobicContact CD2-CG1 3.83Å; I1045-V1065 HydrophobicContact CD1-CG2 3.86Å; V1065-F1067 HydrophobicContact CB-CE2 4.07Å; V1065-F1067 HydrophobicContact CB-CZ 4.3Å; V1065-F1067 HydrophobicContact CG1-CD2 4.13Å; V1065-F1067 HydrophobicContact CG1-CE1 3.93Å; V1065-F1067 HydrophobicContact CG1-CE2 3.46Å; V1065-F1067 VanDerWaalsContact CG1-CE2 3.46Å; V1065-F1067 HydrophobicContact CG1-CZ 3.34Å; V1065-V1133 CarbonylContact O-C 3.57Å; V1065-V1133 WeakPolarHBondContact O-CA 3.27Å; V1065-W1134 HydrophobicContact CB-CB 4.41Å; V1065-W1134 PolarHBondContact N-O 3.13Å; V1065-W1134 PolarHBondContact O-N 2.91Å; V1065-A1172 HydrophobicContact CG1-CB 4.5Å; V1065-F1173 CarbonylContact C-O 3.48Å; V1065-F1173 WeakPolarHBondContact CA-O 3.25Å; V1065-V1174 HydrophobicContact CG1-CG2 4.16Å; V1065-V1174 HydrophobicContact CG2-CG1 3.98Å; V1065-V1174 HydrophobicContact CG2-CG2 4.12Å
1066R94.9Very high88.4Confident18 Ų1835 Ų357%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-111.5114.6-177.8-51.5-169.3-89.8135.7-9.9109.4A1131 V1133 F1173 E1175R1066-A1131 HydrophobicContact CB-CB 4.43Å; R1066-V1133 HydrophobicContact CG-CG1 4.25Å; R1066-V1133 HydrophobicContact CG-CG2 4.26Å; R1066-F1173 HydrophobicContact CB-CB 4.34Å; R1066-F1173 PolarHBondContact N-O 2.87Å; R1066-F1173 PolarHBondContact O-N 2.83Å; R1066-E1175 IonicContact CZ-OE1 2.74Å; R1066-E1175 IonicContact CZ-OE2 3.84Å; R1066-E1175 VanDerWaalsContact CZ-OE2 3.27Å; R1066-E1175 IonicContact NE-OE2 2.55Å; R1066-E1175 PolarHBondContact NE-OE2 2.98Å; R1066-E1175 IonicContact NH2-OE1 3.78Å; R1066-E1175 PolarHBondContact NH2-OE1 2.9Å; R1066-E1175 IonicContact NH2-OE2 3.9Å; R1066-E1175 PolarHBondContact NH2-OE2 3.32Å
1067F95.3Very high89.3Confident0 Ų033.4 Ų33.40%017%0.17CC..EExtended strand (participates in β ladder)trans-106105.3174.2-56.5-83.6000109.5A1030 L1041 A1043 V1065 A1131 I1132 W1134 L1152 A1172 I1218A1030-F1067 HydrophobicContact CB-CE1 4.01Å; L1041-F1067 HydrophobicContact CD1-CD1 4.34Å; L1041-F1067 HydrophobicContact CD2-CB 3.88Å; L1041-F1067 HydrophobicContact CD2-CD1 4.03Å; L1041-F1067 HydrophobicContact CD2-CD2 4.27Å; L1041-F1067 HydrophobicContact CD2-CG 3.81Å; A1043-F1067 HydrophobicContact CB-CE1 3.76Å; A1043-F1067 HydrophobicContact CB-CE2 4.34Å; A1043-F1067 HydrophobicContact CB-CZ 3.39Å; V1065-F1067 HydrophobicContact CB-CE2 4.07Å; V1065-F1067 HydrophobicContact CB-CZ 4.3Å; V1065-F1067 HydrophobicContact CG1-CD2 4.13Å; V1065-F1067 HydrophobicContact CG1-CE1 3.93Å; V1065-F1067 HydrophobicContact CG1-CE2 3.46Å; V1065-F1067 VanDerWaalsContact CG1-CE2 3.46Å; V1065-F1067 HydrophobicContact CG1-CZ 3.34Å; F1067-A1131 CarbonylContact O-C 3.49Å; F1067-A1131 WeakPolarHBondContact O-CA 3.45Å; F1067-A1131 VanDerWaalsContact O-CB 3.24Å; F1067-A1131 WeakPolarHBondContact O-CB 3.18Å; F1067-I1132 HydrophobicContact CB-CB 4.46Å; F1067-I1132 PolarHBondContact N-O 2.59Å; F1067-I1132 PolarHBondContact O-N 3.46Å; F1067-W1134 HydrophobicContact CE2-CB 4.47Å; F1067-W1134 HydrophobicContact CE2-CE3 4.29Å; F1067-L1152 HydrophobicContact CE2-CD1 4.15Å; F1067-L1152 HydrophobicContact CE2-CD2 4.48Å; F1067-A1172 HydrophobicContact CD1-CB 3.71Å; F1067-A1172 HydrophobicContact CE1-CB 3.77Å; F1067-I1218 HydrophobicContact CD1-CD1 4.25Å
1068P93.4Very high89.9Confident36 Ų3635 Ų3523%0.23417%0.173CC..EExtended strand (participates in β ladder)trans-63.5138.6-178.8-18.731.4000111.7A1169 Y1171 F1173P1068-A1169 HydrophobicContact CB-CB 3.8Å; P1068-A1169 HydrophobicContact CG-CB 4.13Å; P1068-Y1171 WeakPolarHBondContact CD-O 3.37Å; P1068-F1173 HydrophobicContact CG-CD2 4.3Å; P1068-F1173 HydrophobicContact CG-CE2 4.08Å
1069I91.3Very high90.1Very high9 Ų937.7 Ų37.75%0.04619%0.189CC..  trans-117.6132.5-176.9-57.7-59.4000109.6W1032 W1073 F1077 Y1125 R1130 I1132W1032-I1069 HydrophobicContact CH2-CD1 3.88Å; W1032-I1069 HydrophobicContact CZ2-CD1 4.4Å; I1069-W1073 HydrophobicContact CG2-CB 3.98Å; I1069-W1073 HydrophobicContact CG2-CE3 4.4Å; I1069-F1077 HydrophobicContact CG2-CD2 4.37Å; I1069-F1077 HydrophobicContact CG2-CE2 3.86Å; I1069-Y1125 HydrophobicContact CB-CE2 4.36Å; I1069-Y1125 HydrophobicContact CG1-CD2 4.41Å; I1069-R1130 PolarHBondContact N-O 2.79Å; I1069-I1132 HydrophobicContact CD1-CD1 3.83Å; I1069-I1132 HydrophobicContact CD1-CG1 3.92Å; I1069-I1132 HydrophobicContact CG1-CD1 4.32Å; I1069-I1132 HydrophobicContact CG1-CG1 3.88Å
1070P90.8Very high89.7Confident21 Ų2143.9 Ų43.914%0.13622%0.217CC..  trans-51.3142172.9-30.136.8000114C1072 W1073 P1165 L1168P1070-C1072 VanDerWaalsContact C-N 3.27Å; P1070-C1072 PolarHBondContact O-N 3.09Å; P1070-W1073 HydrophobicContact CB-CD2 4.18Å; P1070-W1073 HydrophobicContact CB-CE3 4.33Å; P1070-W1073 HydrophobicContact CB-CG 4.41Å; P1070-W1073 HydrophobicContact CG-CD2 4.14Å; P1070-W1073 HydrophobicContact CG-CE3 3.85Å; P1070-W1073 HydrophobicContact CG-CH2 4.36Å; P1070-W1073 HydrophobicContact CG-CZ3 3.97Å; P1070-W1073 PolarHBondContact O-N 2.9Å; P1070-P1165 HydrophobicContact CB-CG 3.64Å; P1070-P1165 HydrophobicContact CG-CG 3.77Å; P1070-L1168 HydrophobicContact CG-CD2 4.24Å
1071E86.1Confident88.9Confident120 Ų12048.1 Ų48.156%0.56124%0.235SC*.G310 helixtrans-63.6-34.4-173.6-59.6-163.1165.600113.2W1073 I1074 R1130E1071-W1073 PolarHBondContact O-N 2.81Å; E1071-W1073 VanDerWaalsContact O-N 3.16Å; E1071-I1074 HydrophobicContact CB-CD1 4.05Å; E1071-I1074 HydrophobicContact CG-CD1 4.15Å; E1071-I1074 WeakPolarHBondContact O-CB 3.48Å; E1071-I1074 WeakPolarHBondContact O-CG1 3.41Å; E1071-I1074 PolarHBondContact O-N 3.2Å; E1071-R1130 IonicContact OE1-CZ 3.77Å; E1071-R1130 IonicContact OE1-NE 3.77Å; E1071-R1130 IonicContact OE1-NH1 2.71Å; E1071-R1130 PolarHBondContact OE1-NH1 2.84Å; E1071-R1130 IonicContact OE1-NH2 3.18Å
1072C87.6Confident87.6Confident50 Ų5053.1 Ų53.134%0.33826%0.258SS..G310 helixtrans-59.1-21.7173.752.50000114.1P1070 Y1075 Q1163P1070-C1072 VanDerWaalsContact C-N 3.27Å; P1070-C1072 PolarHBondContact O-N 3.09Å; C1072-Y1075 VanDerWaalsContact O-CD1 3.31Å; C1072-Y1075 WeakPolarHBondContact O-CD1 3.49Å; C1072-Y1075 WeakPolarHBondContact O-CE1 3.37Å; C1072-Q1163 PolarHBondContact SG-O 2.79Å
1073W90Very high86Confident0 Ų054 Ų540%026%0.257CS..G310 helixtrans-100.2-5.4-179.3-58-12.6000113.3W1032 V1039 I1069 P1070 E1071 Y1075 L1076 F1077 M1156 L1158 Q1163 I1164 L1168W1032-W1073 HydrophobicContact CH2-CZ3 4.26Å; W1032-W1073 HydrophobicContact CZ3-CZ3 4.21Å; V1039-W1073 HydrophobicContact CB-CH2 4.44Å; V1039-W1073 HydrophobicContact CG1-CH2 3.93Å; V1039-W1073 HydrophobicContact CG1-CZ3 4.07Å; V1039-W1073 HydrophobicContact CG2-CH2 4.11Å; V1039-W1073 HydrophobicContact CG2-CZ2 4.34Å; I1069-W1073 HydrophobicContact CG2-CB 3.98Å; I1069-W1073 HydrophobicContact CG2-CE3 4.4Å; P1070-W1073 HydrophobicContact CB-CD2 4.18Å; P1070-W1073 HydrophobicContact CB-CE3 4.33Å; P1070-W1073 HydrophobicContact CB-CG 4.41Å; P1070-W1073 HydrophobicContact CG-CD2 4.14Å; P1070-W1073 HydrophobicContact CG-CE3 3.85Å; P1070-W1073 HydrophobicContact CG-CH2 4.36Å; P1070-W1073 HydrophobicContact CG-CZ3 3.97Å; P1070-W1073 PolarHBondContact O-N 2.9Å; E1071-W1073 PolarHBondContact O-N 2.81Å; E1071-W1073 VanDerWaalsContact O-N 3.16Å; W1073-Y1075 PolarHBondContact O-N 2.87Å; W1073-Y1075 VanDerWaalsContact O-N 3.15Å; W1073-L1076 HydrophobicContact CB-CD1 4.25Å; W1073-L1076 WeakPolarHBondContact O-CB 3.48Å; W1073-L1076 PolarHBondContact O-N 3.11Å; W1073-L1076 VanDerWaalsContact O-N 3.11Å; W1073-F1077 WeakPolarHBondContact O-CD2 3.37Å; W1073-M1156 HydrophobicContact CB-SD 4.38Å; W1073-M1156 HydrophobicContact CD2-CE 4.44Å; W1073-M1156 HydrophobicContact CD2-SD 4.26Å; W1073-M1156 HydrophobicContact CE3-CE 3.5Å; W1073-M1156 HydrophobicContact CE3-SD 3.74Å; W1073-M1156 HydrophobicContact CZ3-CE 3.56Å; W1073-M1156 HydrophobicContact CZ3-SD 4.4Å; W1073-L1158 HydrophobicContact CG-CD2 4.45Å; W1073-L1158 HydrophobicContact CZ2-CD1 3.99Å; W1073-Q1163 PolarHBondContact NE1-O 3.34Å; W1073-I1164 HydrophobicContact CZ2-CB 4.48Å; W1073-I1164 HydrophobicContact CZ2-CG1 4.34Å; W1073-I1164 HydrophobicContact CZ2-CG2 4.29Å; W1073-L1168 HydrophobicContact CH2-CD1 4.37Å; W1073-L1168 HydrophobicContact CH2-CD2 3.46Å; W1073-L1168 VanDerWaalsContact CH2-CD2 3.46Å; W1073-L1168 HydrophobicContact CZ2-CD2 4.18Å; W1073-L1168 HydrophobicContact CZ3-CD2 4.08Å
1074I88.1Confident84.6Confident13 Ų1360.5 Ų60.57%0.06728%0.281CS..G310 helixtrans-56.8-34.8-175.9-69.5175.1000112.2E1071 L1076 F1077 R1078 Y1125E1071-I1074 HydrophobicContact CB-CD1 4.05Å; E1071-I1074 HydrophobicContact CG-CD1 4.15Å; E1071-I1074 WeakPolarHBondContact O-CB 3.48Å; E1071-I1074 WeakPolarHBondContact O-CG1 3.41Å; E1071-I1074 PolarHBondContact O-N 3.2Å; I1074-L1076 VanDerWaalsContact C-N 3.27Å; I1074-L1076 PolarHBondContact O-N 2.97Å; I1074-F1077 PolarHBondContact O-N 3.49Å; I1074-F1077 VanDerWaalsContact O-N 3.11Å; I1074-R1078 HydrophobicContact CG2-CG 4.43Å; I1074-R1078 PolarHBondContact O-N 3.48Å; I1074-Y1125 WeakPolarHBondContact CD1-OH 3.28Å; I1074-Y1125 HydrophobicContact CG1-CE2 4.22Å; I1074-Y1125 VanDerWaalsContact CG1-OH 3.26Å; I1074-Y1125 WeakPolarHBondContact CG1-OH 3.18Å; I1074-Y1125 HydrophobicContact CG2-CE1 3.85Å
1075Y87.4Confident83.3Confident109 Ų10964.7 Ų64.743%0.42730%0.296SS..G310 helixtrans-63.9-31.2-177.883.1-86.1000112.6C1072 W1073 F1077 R1078 D1162C1072-Y1075 VanDerWaalsContact O-CD1 3.31Å; C1072-Y1075 WeakPolarHBondContact O-CD1 3.49Å; C1072-Y1075 WeakPolarHBondContact O-CE1 3.37Å; W1073-Y1075 PolarHBondContact O-N 2.87Å; W1073-Y1075 VanDerWaalsContact O-N 3.15Å; Y1075-F1077 PolarHBondContact O-N 2.9Å; Y1075-F1077 VanDerWaalsContact O-N 3.16Å; Y1075-R1078 PolarHBondContact O-N 3.08Å; Y1075-R1078 VanDerWaalsContact O-N 3.17Å; Y1075-D1162 WeakPolarHBondContact CE1-OD1 3.5Å; Y1075-D1162 VanDerWaalsContact OH-CG 3.31Å; Y1075-D1162 PolarHBondContact OH-OD1 3.36Å; Y1075-D1162 PolarHBondContact OH-OD2 3.13Å
1076L86.5Confident82.3Confident37 Ų3766 Ų6619%0.19431%0.309CS..G310 helixtrans-61-23.8175.6-63.7170.9000112.9W1073 I1074 L1115 M1156 L1158W1073-L1076 HydrophobicContact CB-CD1 4.25Å; W1073-L1076 WeakPolarHBondContact O-CB 3.48Å; W1073-L1076 PolarHBondContact O-N 3.11Å; W1073-L1076 VanDerWaalsContact O-N 3.11Å; I1074-L1076 VanDerWaalsContact C-N 3.27Å; I1074-L1076 PolarHBondContact O-N 2.97Å; L1076-L1115 WeakPolarHBondContact O-CD2 3.36Å; L1076-M1156 HydrophobicContact CD1-CB 4.26Å; L1076-M1156 HydrophobicContact CD1-CG 4.16Å; L1076-M1156 HydrophobicContact CD1-SD 4.21Å; L1076-L1158 HydrophobicContact CD1-CD2 3.73Å
1077F88.5Confident81.8Confident0 Ų066.7 Ų66.70%032%0.317CS..G310 helixtrans-100.6-8.1-178.4-61.4-84.2000113.7I1069 W1073 I1074 Y1075 S1087 V1088 L1115 I1116 Y1125 I1132 M1156I1069-F1077 HydrophobicContact CG2-CD2 4.37Å; I1069-F1077 HydrophobicContact CG2-CE2 3.86Å; W1073-F1077 WeakPolarHBondContact O-CD2 3.37Å; I1074-F1077 PolarHBondContact O-N 3.49Å; I1074-F1077 VanDerWaalsContact O-N 3.11Å; Y1075-F1077 PolarHBondContact O-N 2.9Å; Y1075-F1077 VanDerWaalsContact O-N 3.16Å; F1077-S1087 CarbonylContact O-C 3.52Å; F1077-S1087 WeakPolarHBondContact O-CA 3.49Å; F1077-V1088 PolarHBondContact O-N 2.77Å; F1077-L1115 HydrophobicContact CD1-CD2 3.48Å; F1077-L1115 VanDerWaalsContact CD1-CD2 3.48Å; F1077-L1115 HydrophobicContact CE1-CD2 3.5Å; F1077-L1115 HydrophobicContact CE1-CG 4.25Å; F1077-L1115 HydrophobicContact CG-CD2 4.18Å; F1077-L1115 HydrophobicContact CZ-CD2 4.21Å; F1077-I1116 HydrophobicContact CD1-CD1 4.1Å; F1077-I1116 HydrophobicContact CE1-CD1 4.02Å; F1077-I1116 HydrophobicContact CE1-CG1 4.21Å; F1077-Y1125 HydrophobicContact CB-CD1 4.05Å; F1077-Y1125 HydrophobicContact CB-CD2 4.32Å; F1077-Y1125 HydrophobicContact CB-CG 3.71Å; F1077-Y1125 HydrophobicContact CG-CD2 4.36Å; F1077-Y1125 HydrophobicContact CG-CG 4.16Å; F1077-I1132 HydrophobicContact CD1-CG1 4.47Å; F1077-I1132 HydrophobicContact CE1-CD1 3.63Å; F1077-I1132 HydrophobicContact CE1-CG1 4Å; F1077-I1132 HydrophobicContact CZ-CD1 3.85Å; F1077-I1132 HydrophobicContact CZ-CG1 4.35Å; F1077-M1156 HydrophobicContact CE2-CG 4.48Å; F1077-M1156 HydrophobicContact CE2-SD 3.65Å; F1077-M1156 HydrophobicContact CZ-CG 4.05Å; F1077-M1156 HydrophobicContact CZ-SD 3.56Å; F1077-M1156 VanDerWaalsContact CZ-SD 3.56Å
1078R84.9Confident81.2Confident102 Ų10268 Ų6839%0.38533%0.325SS..EExtended strand (participates in β ladder)trans-84.6138.2174.9-71.4179.6173.6177-2.6109.6I1074 Y1075 H1127I1074-R1078 HydrophobicContact CG2-CG 4.43Å; I1074-R1078 PolarHBondContact O-N 3.48Å; Y1075-R1078 PolarHBondContact O-N 3.08Å; Y1075-R1078 VanDerWaalsContact O-N 3.17Å; R1078-H1127 PolarHBondContact NH2-CE1 2.72Å; R1078-H1127 VanDerWaalsContact NH2-CE1 3.31Å; R1078-H1127 PolarHBondContact NH2-NE2 3.13Å
1079V82.7Confident80.8Confident64 Ų6473.2 Ų73.239%0.38834%0.344SS..EExtended strand (participates in β ladder)trans-126.6125.5175.4-178.10000107.9K1081 G1086 V1088V1079-K1081 PolarHBondContact O-N 2.83Å; V1079-G1086 PolarHBondContact N-O 3.3Å; V1079-G1086 WeakPolarHBondContact O-CA 3.45Å; V1079-G1086 PolarHBondContact O-N 3.31Å; V1079-V1088 HydrophobicContact CG2-CB 4.4Å; V1079-V1088 HydrophobicContact CG2-CG2 3.5Å
1080E78.7Confident80.7Confident145 Ų14573.7 Ų73.768%0.67835%0.348SS*.EExtended strand (participates in β ladder)trans-75.6120.1173.9-57-164.2135.900109.4Y1085E1080-Y1085 HydrophobicContact CG-CD1 4.14Å; E1080-Y1085 HydrophobicContact CG-CE1 3.58Å; E1080-Y1085 WeakPolarHBondContact OE1-CE1 3.41Å; E1080-Y1085 VanDerWaalsContact OE1-CZ 3.26Å; E1080-Y1085 PolarHBondContact OE1-OH 3.36Å
1081K72.7Confident80.5Confident90 Ų9074.7 Ų74.739%0.39136%0.358SS..EExtended strand (participates in β ladder)trans-103156.9161.7-78.3-171.3156.8-151.10108.3D608 D609 V1079 F1083 R1084D608-K1081 PolarHBondContact O-NZ 3.26Å; D609-K1081 IonicContact OD1-NZ 3.94Å; D609-K1081 PolarHBondContact OD1-NZ 2.83Å; D609-K1081 IonicContact OD2-NZ 2.89Å; D609-K1081 PolarHBondContact OD2-NZ 3.13Å; V1079-K1081 PolarHBondContact O-N 2.83Å; K1081-F1083 PolarHBondContact O-N 3.37Å; K1081-R1084 WeakPolarHBondContact CB-O 3.45Å; K1081-R1084 PolarHBondContact N-O 2.91Å; K1081-R1084 PolarHBondContact O-N 3.37Å; K1081-R1084 VanDerWaalsContact O-N 3.12Å
1082H62.6Low80.1Confident168 Ų16874.2 Ų74.278%0.77836%0.355SS*.THydrogen-bonded Turntrans-49.9-12.3-177.1-56.1123.1000117.7
1083F58.9Low79.2Confident138 Ų13876.5 Ų76.561%0.60536%0.357SS*.THydrogen-bonded Turntrans-136.8-9.2172.1-82.3-80.4000116.1F605 K1081F605-F1083 HydrophobicContact CB-CE2 4.37Å; F605-F1083 HydrophobicContact CB-CZ 4.32Å; F605-F1083 AromaticContact CD1-CE2 3.4Å; F605-F1083 HydrophobicContact CD1-CE2 3.4Å; F605-F1083 AromaticContact CD1-CZ 3.63Å; F605-F1083 HydrophobicContact CD1-CZ 3.63Å; F605-F1083 HydrophobicContact CD2-CZ 4.03Å; F605-F1083 AromaticContact CE1-CE2 3.65Å; F605-F1083 HydrophobicContact CE1-CE2 3.65Å; F605-F1083 AromaticContact CE1-CZ 3.76Å; F605-F1083 HydrophobicContact CE1-CZ 3.76Å; F605-F1083 HydrophobicContact CE2-CZ 4.17Å; F605-F1083 AromaticContact CG-CE2 3.91Å; F605-F1083 HydrophobicContact CG-CE2 3.91Å; F605-F1083 AromaticContact CG-CZ 3.74Å; F605-F1083 HydrophobicContact CG-CZ 3.74Å; F605-F1083 HydrophobicContact CZ-CE2 4.37Å; F605-F1083 HydrophobicContact CZ-CZ 4.03Å; K1081-F1083 PolarHBondContact O-N 3.37Å
1084R64.3Low77.9Confident138 Ų13888 Ų8852%0.52140%0.4SS..EExtended strand (participates in β ladder)trans-154.6153.8-169.8-57.2-174.4-157.6-138.61.6111.6Q793 K1081 G1086Q793-R1084 VanDerWaalsContact OE1-NH1 3.11Å; K1081-R1084 WeakPolarHBondContact CB-O 3.45Å; K1081-R1084 PolarHBondContact N-O 2.91Å; K1081-R1084 PolarHBondContact O-N 3.37Å; K1081-R1084 VanDerWaalsContact O-N 3.12Å; R1084-G1086 PolarHBondContact O-N 3.46Å
1085Y69.1Low76.2Confident101 Ų10192.4 Ų92.440%0.39643%0.428SS..EExtended strand (participates in β ladder)trans-77111.6167.1-72.1-88.5000110.4F797 E1080F797-Y1085 AromaticContact CD1-CD2 3.57Å; F797-Y1085 HydrophobicContact CD1-CD2 3.57Å; F797-Y1085 AromaticContact CD1-CE2 3.88Å; F797-Y1085 HydrophobicContact CD1-CE2 3.88Å; F797-Y1085 HydrophobicContact CD1-CG 4.26Å; F797-Y1085 AromaticContact CE1-CD2 3.61Å; F797-Y1085 HydrophobicContact CE1-CD2 3.61Å; F797-Y1085 AromaticContact CE1-CE2 3.41Å; F797-Y1085 HydrophobicContact CE1-CE2 3.41Å; F797-Y1085 VanDerWaalsContact CE1-CE2 3.41Å; F797-Y1085 HydrophobicContact CZ-CE2 4.39Å; E1080-Y1085 HydrophobicContact CG-CD1 4.14Å; E1080-Y1085 HydrophobicContact CG-CE1 3.58Å; E1080-Y1085 WeakPolarHBondContact OE1-CE1 3.41Å; E1080-Y1085 VanDerWaalsContact OE1-CZ 3.26Å; E1080-Y1085 PolarHBondContact OE1-OH 3.36Å
1086G75.2Confident74.3Confident27 Ų2789.9 Ų89.928%0.27844%0.435SS..EExtended strand (participates in β ladder)trans-82.3168.3167.600000112.4V1079 R1084V1079-G1086 PolarHBondContact N-O 3.3Å; V1079-G1086 WeakPolarHBondContact O-CA 3.45Å; V1079-G1086 PolarHBondContact O-N 3.31Å; R1084-G1086 PolarHBondContact O-N 3.46Å
1087S83.5Confident72.2Confident33 Ų3398.5 Ų98.523%0.23147%0.471CS..EExtended strand (participates in β ladder)trans-102.6147.8162.4171.10000109.5F1077 K1089 Y1125F1077-S1087 CarbonylContact O-C 3.52Å; F1077-S1087 WeakPolarHBondContact O-CA 3.49Å; S1087-K1089 PolarHBondContact O-N 2.69Å; S1087-Y1125 VanDerWaalsContact CB-O 3.28Å; S1087-Y1125 WeakPolarHBondContact CB-O 3.31Å; S1087-Y1125 WeakPolarHBondContact OG-CB 3.41Å; S1087-Y1125 PolarHBondContact OG-N 3.32Å; S1087-Y1125 PolarHBondContact OG-O 2.73Å
1088V82.1Confident70.3Confident28 Ų28104.3 Ų104.317%0.1750%0.501CS..PPolyproline II helixtrans-52.3132158.8179.30000109.2F1077 V1079 L1115 K1124F1077-V1088 PolarHBondContact O-N 2.77Å; V1079-V1088 HydrophobicContact CG2-CB 4.4Å; V1079-V1088 HydrophobicContact CG2-CG2 3.5Å; V1088-L1115 HydrophobicContact CB-CD2 4.31Å; V1088-L1115 HydrophobicContact CG1-CB 4.12Å; V1088-L1115 HydrophobicContact CG1-CD2 4.18Å; V1088-L1115 HydrophobicContact CG2-CD2 4.08Å; V1088-K1124 WeakPolarHBondContact O-CA 3.36Å; V1088-K1124 WeakPolarHBondContact O-CB 3.31Å
1089K86.4Confident68.3Low144 Ų144110 Ų11063%0.62653%0.528SS*.BIsolated β-bridgetrans-106.2148174.5-59.2176.3-173.5172.60108.8S1087S1087-K1089 PolarHBondContact O-N 2.69Å
1090S89Confident66.5Low20 Ų20108.8 Ų108.814%0.1453%0.529CS..  trans-69.5135.2-179.560.80000113.7I1116 V1118 A1123S1090-I1116 CarbonylContact C-O 3.59Å; S1090-I1116 WeakPolarHBondContact CA-O 3.03Å; S1090-V1118 VanDerWaalsContact OG-CG2 3.32Å; S1090-V1118 WeakPolarHBondContact OG-CG2 3.36Å; S1090-A1123 VanDerWaalsContact CB-O 3.22Å; S1090-A1123 WeakPolarHBondContact CB-O 3.36Å; S1090-A1123 PolarHBondContact N-O 3.17Å; S1090-A1123 PolarHBondContact OG-N 2.85Å; S1090-A1123 PolarHBondContact OG-O 2.97Å
1091A85.9Confident65.1Low41 Ų41105.4 Ų105.434%0.33951%0.514SS..EExtended strand (participates in β ladder)trans-69.8145.3163.700000111.3R1093 I1116 E1117 V1118A1091-R1093 PolarHBondContact O-N 2.87Å; A1091-I1116 PolarHBondContact N-O 2.81Å; A1091-E1117 WeakPolarHBondContact O-CA 3.4Å; A1091-V1118 PolarHBondContact O-N 2.32Å
1092H78.7Confident64.1Low110 Ų110110.1 Ų110.151%0.50954%0.538SS..EExtended strand (participates in β ladder)trans-90.3105.9-179.6-142.473.9000111.3R1094 V1118 G1121H1092-R1094 PolarHBondContact O-N 2.94Å; H1092-V1118 CarbonylContact C-O 3.5Å; H1092-V1118 WeakPolarHBondContact CA-O 3.16Å; H1092-G1121 PolarHBondContact CE1-O 3.36Å; H1092-G1121 VanDerWaalsContact CE1-O 3.31Å; H1092-G1121 PolarHBondContact ND1-O 3.44Å
1093R67.8Low63.7Low98 Ų98113.2 Ų113.237%0.3754%0.543SS..  trans-78.5109.6-174.9-171.1-178.8-173.4-113.5-2.3110.9A1091 T1095 E1117 V1118 T1119A1091-R1093 PolarHBondContact O-N 2.87Å; R1093-T1095 PolarHBondContact O-N 2.86Å; R1093-T1095 VanDerWaalsContact O-N 3.07Å; R1093-E1117 HydrophobicContact CB-CB 4.3Å; R1093-E1117 WeakPolarHBondContact CD-OE2 3.17Å; R1093-E1117 IonicContact NE-OE2 2.84Å; R1093-E1117 PolarHBondContact NE-OE2 2.77Å; R1093-V1118 PolarHBondContact N-O 2.88Å; R1093-T1119 HydrophobicContact CB-CG2 4.23Å
1094R62.6Low63.4Low243 Ų243113.5 Ų113.592%0.91755%0.549SS*.  trans-68.2104178.4-63.4-170.2-171.8-1463.9111.2H1092 G1096H1092-R1094 PolarHBondContact O-N 2.94Å; R1094-G1096 PolarHBondContact O-N 2.96Å
1095T52.4Low62.7Low104 Ų104111.7 Ų111.764%0.63855%0.549SS*.  trans-73.185.7173.7490000111.3R1093 T1119R1093-T1095 PolarHBondContact O-N 2.86Å; R1093-T1095 VanDerWaalsContact O-N 3.07Å; T1095-T1119 HydrophobicContact CG2-CG2 3.34Å
1096G47.6Very low61.8Low57 Ų57110.4 Ų110.459%0.58857%0.567SS**  trans-153.4131.9-177.400000114.2R1094 I1098R1094-G1096 PolarHBondContact O-N 2.96Å; G1096-I1098 PolarHBondContact O-N 3Å; G1096-I1098 VanDerWaalsContact O-N 3.07Å
1097K42Very low60.4Low218 Ų218113.7 Ų113.795%0.94859%0.591SS**  trans-70.793.3-178.2-62166.3-177.4169.60111.6
1098I48.4Very low58.5Low122 Ų122117.2 Ų117.263%0.62661%0.611SS**  trans-109.977.3172.6-42179.3000111.5G1096 G1100 I1101G1096-I1098 PolarHBondContact O-N 3Å; G1096-I1098 VanDerWaalsContact O-N 3.07Å; I1098-G1100 PolarHBondContact O-N 3.44Å; I1098-I1101 HydrophobicContact CB-CD1 3.97Å; I1098-I1101 HydrophobicContact CB-CG1 4.38Å; I1098-I1101 HydrophobicContact CD1-CD1 3.71Å; I1098-I1101 HydrophobicContact CG1-CD1 4.44Å; I1098-I1101 HydrophobicContact CG2-CD1 3.6Å; I1098-I1101 HydrophobicContact CG2-CG1 3.65Å
1099K43.2Very low56.5Low221 Ų221122.9 Ų122.996%0.96164%0.64SS**THydrogen-bonded Turntrans-72.271.8178.3-170.2176.6-178.9174.70111.4
1100G45Very low54.3Low38 Ų38122.4 Ų122.439%0.39265%0.65SS.*THydrogen-bonded Turntrans170.5-14.117700000117.9I1098 E1102 R1103I1098-G1100 PolarHBondContact O-N 3.44Å; G1100-E1102 PolarHBondContact O-N 3.32Å; G1100-R1103 PolarHBondContact O-N 3.43Å
1101I50.1Low52.3Low74 Ų74128.4 Ų128.438%0.37968%0.68SS.*G310 helixtrans-61.8-29.7-175.8-82.3174.5000113.1I1098 R1103 I1104 L1105I1098-I1101 HydrophobicContact CB-CD1 3.97Å; I1098-I1101 HydrophobicContact CB-CG1 4.38Å; I1098-I1101 HydrophobicContact CD1-CD1 3.71Å; I1098-I1101 HydrophobicContact CG1-CD1 4.44Å; I1098-I1101 HydrophobicContact CG2-CD1 3.6Å; I1098-I1101 HydrophobicContact CG2-CG1 3.65Å; I1101-R1103 PolarHBondContact O-N 3.31Å; I1101-I1104 PolarHBondContact O-N 3.33Å; I1101-L1105 HydrophobicContact CG2-CB 3.8Å; I1101-L1105 HydrophobicContact CG2-CD2 4.04Å; I1101-L1105 HydrophobicContact CG2-CG 4.36Å; I1101-L1105 WeakPolarHBondContact O-CB 3.25Å; I1101-L1105 PolarHBondContact O-N 3.02Å
1102E51.8Low50.6Low189 Ų189134.8 Ų134.888%0.88370%0.703SS**G310 helixtrans-55.2-19176.5-63.6169.4172.700114.4G1100G1100-E1102 PolarHBondContact O-N 3.32Å
1103R53Low49.9Very low234 Ų234135.5 Ų135.588%0.88371%0.706SS**G310 helixtrans-98.33176.6-128.6-176.1-63.2161.30.7114.6G1100 I1101G1100-R1103 PolarHBondContact O-N 3.43Å; I1101-R1103 PolarHBondContact O-N 3.31Å
1104I52.5Low50.3Low143 Ų143132.4 Ų132.473%0.73370%0.699SS**THydrogen-bonded Turntrans-122.2-35.3177.7-58.7176.9000110I1101 G1106I1101-I1104 PolarHBondContact O-N 3.33Å; I1104-G1106 PolarHBondContact O-N 2.98Å
1105L49.2Very low51.5Low100 Ų100122.6 Ų122.652%0.52467%0.665SS.*SBendtrans-79.132.4178.3-154.273000113.5I1101I1101-L1105 HydrophobicContact CG2-CB 3.8Å; I1101-L1105 HydrophobicContact CG2-CD2 4.04Å; I1101-L1105 HydrophobicContact CG2-CG 4.36Å; I1101-L1105 WeakPolarHBondContact O-CB 3.25Å; I1101-L1105 PolarHBondContact O-N 3.02Å
1106G50.6Low53.4Low75 Ų75117.7 Ų117.777%0.77364%0.635SS**SBendtrans-94.24.9179.900000114.7I1104I1104-G1106 PolarHBondContact O-N 2.98Å
1107A47Very low55.5Low95 Ų95116.9 Ų116.979%0.78562%0.616SS**SBendtrans-156.623.8-168.100000114.6
1108V43.6Very low58Low108 Ų108106.5 Ų106.566%0.65557%0.571SS**SBendtrans-133.8147.7177.7-178.40000108.4
1109D40.2Very low60Low146 Ų146101.2 Ų101.278%0.78154%0.544SS*.  trans-53.2159.3-161.7-66-75.6000117.1L1111D1109-L1111 PolarHBondContact O-N 2.88Å
1110T39Very low62.1Low134 Ų13490.7 Ų90.782%0.82250%0.498SS*.  trans-50.6105.5177.946.90000111.5Q1112T1110-Q1112 VanDerWaalsContact C-N 3.31Å; T1110-Q1112 PolarHBondContact O-N 2.84Å
1111L47.6Very low64.3Low147 Ų14789.6 Ų89.677%0.7749%0.487SS*.  trans-68.192.6173-149.4175.9000107.7D1109 E1113D1109-L1111 PolarHBondContact O-N 2.88Å; L1111-E1113 PolarHBondContact O-N 2.82Å; L1111-E1113 VanDerWaalsContact O-N 3.14Å
1112Q49.4Very low66.4Low175 Ų17592.8 Ų92.882%0.81850%0.5SS*.PPolyproline II helixtrans-61.1116.4-169.2-172.8162.6-8.100110.2T1110 S1114T1110-Q1112 VanDerWaalsContact C-N 3.31Å; T1110-Q1112 PolarHBondContact O-N 2.84Å; Q1112-S1114 PolarHBondContact O-N 3.42Å; Q1112-S1114 VanDerWaalsContact O-N 3.15Å
1113E64.3Low68.4Low125 Ų12583.8 Ų83.858%0.58446%0.458SS*.PPolyproline II helixtrans-57.1120.5-177.1-66.2-167.8-16600109.7L1111 R1155L1111-E1113 PolarHBondContact O-N 2.82Å; L1111-E1113 VanDerWaalsContact O-N 3.14Å; E1113-R1155 IonicContact OE1-NH1 2.69Å; E1113-R1155 VanDerWaalsContact OE2-CD 3.28Å; E1113-R1155 WeakPolarHBondContact OE2-CD 3.43Å; E1113-R1155 IonicContact OE2-CZ 3.21Å; E1113-R1155 IonicContact OE2-NE 2.68Å; E1113-R1155 IonicContact OE2-NH1 3.19Å; E1113-R1155 PolarHBondContact OE2-NH1 3.06Å
1114S77.1Confident70.3Confident32 Ų3275.8 Ų75.822%0.22443%0.43CS..PPolyproline II helixtrans-73.4133.1179.9-163.60000109.4Q1112 I1116Q1112-S1114 PolarHBondContact O-N 3.42Å; Q1112-S1114 VanDerWaalsContact O-N 3.15Å; S1114-I1116 PolarHBondContact O-N 3.44Å; S1114-I1116 PolarHBondContact OG-O 3.14Å
1115L87.5Confident72.2Confident38 Ų3869.4 Ų69.420%0.19940%0.396CS..SBendtrans-54-29.2177.2-165.385.9000111.8L1076 F1077 V1088 C1154 R1155 M1156L1076-L1115 WeakPolarHBondContact O-CD2 3.36Å; F1077-L1115 HydrophobicContact CD1-CD2 3.48Å; F1077-L1115 VanDerWaalsContact CD1-CD2 3.48Å; F1077-L1115 HydrophobicContact CE1-CD2 3.5Å; F1077-L1115 HydrophobicContact CE1-CG 4.25Å; F1077-L1115 HydrophobicContact CG-CD2 4.18Å; F1077-L1115 HydrophobicContact CZ-CD2 4.21Å; V1088-L1115 HydrophobicContact CB-CD2 4.31Å; V1088-L1115 HydrophobicContact CG1-CB 4.12Å; V1088-L1115 HydrophobicContact CG1-CD2 4.18Å; V1088-L1115 HydrophobicContact CG2-CD2 4.08Å; L1115-C1154 CarbonylContact O-C 3.59Å; L1115-C1154 WeakPolarHBondContact O-CA 3.44Å; L1115-C1154 PolarHBondContact O-SG 3.23Å; L1115-R1155 VanDerWaalsContact CD1-O 3.27Å; L1115-R1155 WeakPolarHBondContact CD1-O 3.47Å; L1115-R1155 PolarHBondContact O-N 3.09Å; L1115-M1156 HydrophobicContact CD1-CG 4.5Å
1116I92.2Very high74.1Confident0 Ų065.2 Ų65.20%037%0.374CS..EExtended strand (participates in β ladder)trans-136.4124174.9-49175.1000109.4F1077 S1090 A1091 S1114 V1118 A1123 I1132 V1153 C1154F1077-I1116 HydrophobicContact CD1-CD1 4.1Å; F1077-I1116 HydrophobicContact CE1-CD1 4.02Å; F1077-I1116 HydrophobicContact CE1-CG1 4.21Å; S1090-I1116 CarbonylContact C-O 3.59Å; S1090-I1116 WeakPolarHBondContact CA-O 3.03Å; A1091-I1116 PolarHBondContact N-O 2.81Å; S1114-I1116 PolarHBondContact O-N 3.44Å; S1114-I1116 PolarHBondContact OG-O 3.14Å; I1116-V1118 HydrophobicContact CG2-CG1 4.44Å; I1116-A1123 HydrophobicContact CG2-CB 3.95Å; I1116-I1132 HydrophobicContact CD1-CD1 4.24Å; I1116-I1132 HydrophobicContact CD1-CG1 4.36Å; I1116-I1132 HydrophobicContact CD1-CG2 4.29Å; I1116-V1153 CarbonylContact C-O 3.59Å; I1116-V1153 WeakPolarHBondContact CA-O 3.16Å; I1116-C1154 HydrophobicContact CG1-CB 4.25Å
1117E92.4Very high75.7Confident41 Ų4164.5 Ų64.519%0.19235%0.351CS..EExtended strand (participates in β ladder)trans-113.7136.6170.2-69.4-173.1-178.400110.1A1091 R1093 L1152 V1153A1091-E1117 WeakPolarHBondContact O-CA 3.4Å; R1093-E1117 HydrophobicContact CB-CB 4.3Å; R1093-E1117 WeakPolarHBondContact CD-OE2 3.17Å; R1093-E1117 IonicContact NE-OE2 2.84Å; R1093-E1117 PolarHBondContact NE-OE2 2.77Å; E1117-L1152 WeakPolarHBondContact O-CA 3.41Å; E1117-V1153 PolarHBondContact N-O 3.43Å; E1117-V1153 PolarHBondContact O-N 2.76Å
1118V93Very high77.6Confident0 Ų061.3 Ų61.30%032%0.319CS..EExtended strand (participates in β ladder)trans-133.5145.4171.5-59.80000112.3S1090 A1091 H1092 R1093 I1116 S1120 A1123 Q1151 L1152S1090-V1118 VanDerWaalsContact OG-CG2 3.32Å; S1090-V1118 WeakPolarHBondContact OG-CG2 3.36Å; A1091-V1118 PolarHBondContact O-N 2.32Å; H1092-V1118 CarbonylContact C-O 3.5Å; H1092-V1118 WeakPolarHBondContact CA-O 3.16Å; R1093-V1118 PolarHBondContact N-O 2.88Å; I1116-V1118 HydrophobicContact CG2-CG1 4.44Å; V1118-S1120 WeakPolarHBondContact CG2-O 3.36Å; V1118-A1123 HydrophobicContact CG1-CB 3.61Å; V1118-Q1151 CarbonylContact C-O 3.43Å; V1118-Q1151 WeakPolarHBondContact CA-O 3.31Å; V1118-L1152 HydrophobicContact CG1-CB 4.08Å; V1118-L1152 HydrophobicContact CG1-CD1 3.88Å; V1118-L1152 HydrophobicContact CG1-CG 3.96Å
1119T90.8Very high79.6Confident10 Ų1057.8 Ų57.86%0.06130%0.295CS..SBendtrans-91.1-10.617671.80000113.6R1093 T1095 H1150 Q1151R1093-T1119 HydrophobicContact CB-CG2 4.23Å; T1095-T1119 HydrophobicContact CG2-CG2 3.34Å; T1119-H1150 VanDerWaalsContact OG1-CA 3.26Å; T1119-H1150 WeakPolarHBondContact OG1-CA 3.26Å; T1119-Q1151 HydrophobicContact CG2-CB 3.87Å; T1119-Q1151 HydrophobicContact CG2-CG 4.02Å; T1119-Q1151 PolarHBondContact N-O 3.08Å; T1119-Q1151 PolarHBondContact OG1-N 3.09Å
1120S88.8Confident81.9Confident1 Ų157.5 Ų57.51%0.00728%0.283CS..SBendtrans-155.1154.5-177.5-151.60000109.9V1118 W1134 K1141 H1150V1118-S1120 WeakPolarHBondContact CG2-O 3.36Å; S1120-W1134 PolarHBondContact O-NE1 3.1Å; S1120-K1141 WeakPolarHBondContact OG-CE 2.9Å; S1120-K1141 PolarHBondContact OG-NZ 3.19Å; S1120-H1150 WeakPolarHBondContact CB-CD2 3.36Å; S1120-H1150 VanDerWaalsContact CB-CG 3.4Å; S1120-H1150 PolarHBondContact OG-CD2 3.35Å; S1120-H1150 PolarHBondContact OG-NE2 3.17Å; S1120-H1150 VanDerWaalsContact OG-NE2 3.12Å
1121G90.3Very high84.5Confident14 Ų1451.1 Ų51.114%0.14425%0.245CC..SBendtrans58.9-151.5-175.500000114.1H1092 R1135H1092-G1121 PolarHBondContact CE1-O 3.36Å; H1092-G1121 VanDerWaalsContact CE1-O 3.31Å; H1092-G1121 PolarHBondContact ND1-O 3.44Å; G1121-R1135 CarbonylContact C-O 3.49Å; G1121-R1135 WeakPolarHBondContact CA-O 3.44Å
1122Q93.2Very high86.7Confident141 Ų14144.1 Ų44.166%0.65921%0.208SC*.EExtended strand (participates in β ladder)trans-136.5139.1171.9-65.1-177.9-0.300109.5R1135Q1122-R1135 PolarHBondContact N-O 2.97Å; Q1122-R1135 PolarHBondContact O-N 3.42Å
1123A95Very high88.9Confident0 Ų035.9 Ų35.90%017%0.169CC..EExtended strand (participates in β ladder)trans-116.9147.1167.900000111.1S1090 I1116 V1118 I1132 V1133 W1134 L1152S1090-A1123 VanDerWaalsContact CB-O 3.22Å; S1090-A1123 WeakPolarHBondContact CB-O 3.36Å; S1090-A1123 PolarHBondContact N-O 3.17Å; S1090-A1123 PolarHBondContact OG-N 2.85Å; S1090-A1123 PolarHBondContact OG-O 2.97Å; I1116-A1123 HydrophobicContact CG2-CB 3.95Å; V1118-A1123 HydrophobicContact CG1-CB 3.61Å; A1123-I1132 HydrophobicContact CB-CG2 4.19Å; A1123-V1133 WeakPolarHBondContact CA-O 3.31Å; A1123-W1134 HydrophobicContact CB-CB 3.88Å; A1123-W1134 HydrophobicContact CB-CG 4.1Å; A1123-L1152 HydrophobicContact CB-CD1 3.58Å
1124K92.6Very high90.4Very high67 Ų6730 Ų3029%0.29114%0.142SC..EExtended strand (participates in β ladder)trans-158160175.167.2-165.2-176.3-168.50108.5V1088 E1126 V1133V1088-K1124 WeakPolarHBondContact O-CA 3.36Å; V1088-K1124 WeakPolarHBondContact O-CB 3.31Å; K1124-E1126 WeakPolarHBondContact CE-OE1 3.28Å; K1124-E1126 HydrophobicContact CG-CG 4.12Å; K1124-E1126 IonicContact NZ-OE1 3.73Å; K1124-E1126 PolarHBondContact NZ-OE1 3.35Å; K1124-V1133 PolarHBondContact N-O 2.9Å; K1124-V1133 PolarHBondContact O-N 2.97Å
1125Y91.7Very high91.2Very high8 Ų832.7 Ų32.73%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-73.7136.3168.3176.5-98.8000110.1I1069 I1074 F1077 S1087 H1127 A1131I1069-Y1125 HydrophobicContact CB-CE2 4.36Å; I1069-Y1125 HydrophobicContact CG1-CD2 4.41Å; I1074-Y1125 WeakPolarHBondContact CD1-OH 3.28Å; I1074-Y1125 HydrophobicContact CG1-CE2 4.22Å; I1074-Y1125 VanDerWaalsContact CG1-OH 3.26Å; I1074-Y1125 WeakPolarHBondContact CG1-OH 3.18Å; I1074-Y1125 HydrophobicContact CG2-CE1 3.85Å; F1077-Y1125 HydrophobicContact CB-CD1 4.05Å; F1077-Y1125 HydrophobicContact CB-CD2 4.32Å; F1077-Y1125 HydrophobicContact CB-CG 3.71Å; F1077-Y1125 HydrophobicContact CG-CD2 4.36Å; F1077-Y1125 HydrophobicContact CG-CG 4.16Å; S1087-Y1125 VanDerWaalsContact CB-O 3.28Å; S1087-Y1125 WeakPolarHBondContact CB-O 3.31Å; S1087-Y1125 WeakPolarHBondContact OG-CB 3.41Å; S1087-Y1125 PolarHBondContact OG-N 3.32Å; S1087-Y1125 PolarHBondContact OG-O 2.73Å; Y1125-H1127 HydrophobicContact CD1-CB 4.49Å; Y1125-H1127 VanDerWaalsContact CE1-CA 3.41Å; Y1125-H1127 HydrophobicContact CE1-CB 3.67Å; Y1125-H1127 AromaticContact CE1-ND1 3.78Å; Y1125-H1127 AromaticContact CZ-ND1 3.83Å; Y1125-H1127 PolarHBondContact OH-ND1 3.25Å; Y1125-A1131 WeakPolarHBondContact CA-O 3.39Å; Y1125-A1131 WeakPolarHBondContact CD2-O 3.25Å
1126E89.4Confident91.5Very high12 Ų1231 Ų316%0.05614%0.139CC..EExtended strand (participates in β ladder)trans-121.4105.9173.6-71.5-163.7153.800109.6K1124 H1128 H1129 R1130 A1131 V1133 R1135K1124-E1126 WeakPolarHBondContact CE-OE1 3.28Å; K1124-E1126 HydrophobicContact CG-CG 4.12Å; K1124-E1126 IonicContact NZ-OE1 3.73Å; K1124-E1126 PolarHBondContact NZ-OE1 3.35Å; E1126-H1128 PolarHBondContact O-N 3.41Å; E1126-H1128 VanDerWaalsContact O-N 3.16Å; E1126-H1128 IonicContact OE2-CE1 3.68Å; E1126-H1128 PolarHBondContact OE2-CE1 3.11Å; E1126-H1128 IonicContact OE2-NE2 3.63Å; E1126-H1129 PolarHBondContact O-N 3.32Å; E1126-H1129 IonicContact OE2-CD2 2.72Å; E1126-R1130 PolarHBondContact O-N 2.83Å; E1126-R1130 VanDerWaalsContact O-N 3.11Å; E1126-A1131 PolarHBondContact N-O 2.84Å; E1126-V1133 HydrophobicContact CB-CG2 3.93Å; E1126-V1133 HydrophobicContact CG-CB 4.3Å; E1126-V1133 HydrophobicContact CG-CG2 4.21Å; E1126-R1135 IonicContact OE1-CZ 2.83Å; E1126-R1135 IonicContact OE1-NH1 2.71Å; E1126-R1135 PolarHBondContact OE1-NH1 3.43Å; E1126-R1135 IonicContact OE1-NH2 3.69Å; E1126-R1135 IonicContact OE2-CZ 3.66Å; E1126-R1135 VanDerWaalsContact OE2-CZ 3.29Å; E1126-R1135 IonicContact OE2-NH1 2.75Å; E1126-R1135 PolarHBondContact OE2-NH1 2.93Å; E1126-R1135 IonicContact OE2-NH2 2.82Å; E1126-R1135 PolarHBondContact OE2-NH2 3.05Å
1127H85.5Confident91.5Very high61 Ų6135.4 Ų35.428%0.28217%0.167SC..G310 helixtrans-58.3-34.3-171-167.436.1000113.5R1078 Y1125 H1129 R1130R1078-H1127 PolarHBondContact NH2-CE1 2.72Å; R1078-H1127 VanDerWaalsContact NH2-CE1 3.31Å; R1078-H1127 PolarHBondContact NH2-NE2 3.13Å; Y1125-H1127 HydrophobicContact CD1-CB 4.49Å; Y1125-H1127 VanDerWaalsContact CE1-CA 3.41Å; Y1125-H1127 HydrophobicContact CE1-CB 3.67Å; Y1125-H1127 AromaticContact CE1-ND1 3.78Å; Y1125-H1127 AromaticContact CZ-ND1 3.83Å; Y1125-H1127 PolarHBondContact OH-ND1 3.25Å; H1127-H1129 VanDerWaalsContact C-N 3.3Å; H1127-H1129 PolarHBondContact O-N 3.41Å; H1127-R1130 WeakPolarHBondContact O-CG 3.31Å; H1127-R1130 PolarHBondContact O-N 3.14Å
1128H85.3Confident91.3Very high27 Ų2738 Ų3813%0.12518%0.175CC..G310 helixtrans-64.1-29.4174.754.290.2000113.6K799 F801 E1126K799-H1128 HydrophobicContact CB-CB 4.18Å; F801-H1128 HydrophobicContact CE1-CB 4.36Å; F801-H1128 AromaticContact CE1-ND1 3.31Å; F801-H1128 VanDerWaalsContact CE1-ND1 3.31Å; F801-H1128 WeakPolarHBondContact CE1-ND1 3.15Å; F801-H1128 HydrophobicContact CE2-CB 3.96Å; F801-H1128 WeakPolarHBondContact CE2-O 3.2Å; F801-H1128 HydrophobicContact CZ-CB 3.74Å; F801-H1128 AromaticContact CZ-CG 3.92Å; F801-H1128 AromaticContact CZ-ND1 3.34Å; F801-H1128 VanDerWaalsContact CZ-ND1 3.34Å; F801-H1128 WeakPolarHBondContact CZ-ND1 3.47Å; F801-H1128 VanDerWaalsContact CZ-O 3.25Å; F801-H1128 WeakPolarHBondContact CZ-O 3.34Å; E1126-H1128 PolarHBondContact O-N 3.41Å; E1126-H1128 VanDerWaalsContact O-N 3.16Å; E1126-H1128 IonicContact OE2-CE1 3.68Å; E1126-H1128 PolarHBondContact OE2-CE1 3.11Å; E1126-H1128 IonicContact OE2-NE2 3.63Å
1129H86.8Confident91Very high34 Ų3438 Ų3816%0.15718%0.175CC..G310 helixtrans-92.3-5.5171.9-72.5-64.7000113.4F801 Y877 E1126 H1127 A1131 V1133F801-H1129 AromaticContact CE1-CE1 3.36Å; F801-H1129 WeakPolarHBondContact CE1-CE1 3.02Å; F801-H1129 AromaticContact CE1-ND1 3.82Å; F801-H1129 AromaticContact CE1-NE2 3.62Å; F801-H1129 AromaticContact CZ-CE1 3.56Å; F801-H1129 AromaticContact CZ-CG 3.95Å; F801-H1129 AromaticContact CZ-ND1 3.5Å; F801-H1129 WeakPolarHBondContact CZ-ND1 3.47Å; Y877-H1129 AromaticContact CD2-CE1 3.84Å; E1126-H1129 PolarHBondContact O-N 3.32Å; E1126-H1129 IonicContact OE2-CD2 2.72Å; H1127-H1129 VanDerWaalsContact C-N 3.3Å; H1127-H1129 PolarHBondContact O-N 3.41Å; H1129-A1131 HydrophobicContact CB-CB 3.99Å; H1129-A1131 WeakPolarHBondContact O-CB 3.42Å; H1129-A1131 PolarHBondContact O-N 3.23Å; H1129-A1131 VanDerWaalsContact O-N 3.13Å; H1129-V1133 HydrophobicContact CB-CG2 4.15Å
1130R88.2Confident90.7Very high140 Ų14037.8 Ų37.853%0.52817%0.174SC..THydrogen-bonded Turntrans46.935.7-168.4-58.6-178.5-176179.7-7.8113I1069 E1071 E1126 H1127I1069-R1130 PolarHBondContact N-O 2.79Å; E1071-R1130 IonicContact OE1-CZ 3.77Å; E1071-R1130 IonicContact OE1-NE 3.77Å; E1071-R1130 IonicContact OE1-NH1 2.71Å; E1071-R1130 PolarHBondContact OE1-NH1 2.84Å; E1071-R1130 IonicContact OE1-NH2 3.18Å; E1126-R1130 PolarHBondContact O-N 2.83Å; E1126-R1130 VanDerWaalsContact O-N 3.11Å; H1127-R1130 WeakPolarHBondContact O-CG 3.31Å; H1127-R1130 PolarHBondContact O-N 3.14Å
1131A92.6Very high90.2Very high1 Ų141.2 Ų41.21%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-140.9154.2-167.900000112.4R1066 F1067 Y1125 E1126 H1129 V1133R1066-A1131 HydrophobicContact CB-CB 4.43Å; F1067-A1131 CarbonylContact O-C 3.49Å; F1067-A1131 WeakPolarHBondContact O-CA 3.45Å; F1067-A1131 VanDerWaalsContact O-CB 3.24Å; F1067-A1131 WeakPolarHBondContact O-CB 3.18Å; Y1125-A1131 WeakPolarHBondContact CA-O 3.39Å; Y1125-A1131 WeakPolarHBondContact CD2-O 3.25Å; E1126-A1131 PolarHBondContact N-O 2.84Å; H1129-A1131 HydrophobicContact CB-CB 3.99Å; H1129-A1131 WeakPolarHBondContact O-CB 3.42Å; H1129-A1131 PolarHBondContact O-N 3.23Å; H1129-A1131 VanDerWaalsContact O-N 3.13Å; A1131-V1133 HydrophobicContact CB-CG2 4.26Å; A1131-V1133 PolarHBondContact O-N 2.79Å
1132I94.3Very high89.6Confident0 Ų048.2 Ų48.20%022%0.217CC..EExtended strand (participates in β ladder)trans-72.9122.3155.9-63.6171.1000106.7F1067 I1069 F1077 I1116 A1123 L1152 C1154F1067-I1132 HydrophobicContact CB-CB 4.46Å; F1067-I1132 PolarHBondContact N-O 2.59Å; F1067-I1132 PolarHBondContact O-N 3.46Å; I1069-I1132 HydrophobicContact CD1-CD1 3.83Å; I1069-I1132 HydrophobicContact CD1-CG1 3.92Å; I1069-I1132 HydrophobicContact CG1-CD1 4.32Å; I1069-I1132 HydrophobicContact CG1-CG1 3.88Å; F1077-I1132 HydrophobicContact CD1-CG1 4.47Å; F1077-I1132 HydrophobicContact CE1-CD1 3.63Å; F1077-I1132 HydrophobicContact CE1-CG1 4Å; F1077-I1132 HydrophobicContact CZ-CD1 3.85Å; F1077-I1132 HydrophobicContact CZ-CG1 4.35Å; I1116-I1132 HydrophobicContact CD1-CD1 4.24Å; I1116-I1132 HydrophobicContact CD1-CG1 4.36Å; I1116-I1132 HydrophobicContact CD1-CG2 4.29Å; A1123-I1132 HydrophobicContact CB-CG2 4.19Å; I1132-L1152 HydrophobicContact CG2-CD1 4.34Å; I1132-C1154 HydrophobicContact CD1-CB 3.98Å
1133V94.9Very high88.5Confident1 Ų145.6 Ų45.61%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-111.5113.5177.5-171.90000109.1V1065 R1066 A1123 K1124 E1126 H1129 A1131 R1135V1065-V1133 CarbonylContact O-C 3.57Å; V1065-V1133 WeakPolarHBondContact O-CA 3.27Å; R1066-V1133 HydrophobicContact CG-CG1 4.25Å; R1066-V1133 HydrophobicContact CG-CG2 4.26Å; A1123-V1133 WeakPolarHBondContact CA-O 3.31Å; K1124-V1133 PolarHBondContact N-O 2.9Å; K1124-V1133 PolarHBondContact O-N 2.97Å; E1126-V1133 HydrophobicContact CB-CG2 3.93Å; E1126-V1133 HydrophobicContact CG-CB 4.3Å; E1126-V1133 HydrophobicContact CG-CG2 4.21Å; H1129-V1133 HydrophobicContact CB-CG2 4.15Å; A1131-V1133 HydrophobicContact CB-CG2 4.26Å; A1131-V1133 PolarHBondContact O-N 2.79Å; V1133-R1135 HydrophobicContact CG1-CG 4.09Å
1134W96.7Very high87.6Confident2 Ų248.2 Ų48.21%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-98113.2177.1-178.219.9000109.3I1045 S1064 V1065 F1067 S1120 A1123 C1136 H1150 L1152I1045-W1134 HydrophobicContact CB-CH2 4.27Å; I1045-W1134 HydrophobicContact CB-CZ3 4.47Å; I1045-W1134 HydrophobicContact CD1-CD2 4.38Å; I1045-W1134 HydrophobicContact CD1-CE3 3.79Å; I1045-W1134 HydrophobicContact CD1-CH2 3.63Å; I1045-W1134 HydrophobicContact CD1-CZ2 4.22Å; I1045-W1134 HydrophobicContact CD1-CZ3 3.4Å; I1045-W1134 VanDerWaalsContact CD1-CZ3 3.4Å; I1045-W1134 HydrophobicContact CG1-CE3 4.4Å; I1045-W1134 HydrophobicContact CG1-CH2 3.87Å; I1045-W1134 HydrophobicContact CG1-CZ3 3.61Å; S1064-W1134 WeakPolarHBondContact CA-O 3.1Å; V1065-W1134 HydrophobicContact CB-CB 4.41Å; V1065-W1134 PolarHBondContact N-O 3.13Å; V1065-W1134 PolarHBondContact O-N 2.91Å; F1067-W1134 HydrophobicContact CE2-CB 4.47Å; F1067-W1134 HydrophobicContact CE2-CE3 4.29Å; S1120-W1134 PolarHBondContact O-NE1 3.1Å; A1123-W1134 HydrophobicContact CB-CB 3.88Å; A1123-W1134 HydrophobicContact CB-CG 4.1Å; W1134-C1136 PolarHBondContact NE1-SG 3.42Å; W1134-H1150 HydrophobicContact CH2-CB 4.11Å; W1134-H1150 HydrophobicContact CZ2-CB 4.06Å; W1134-L1152 HydrophobicContact CB-CD1 3.71Å; W1134-L1152 HydrophobicContact CD2-CB 3.97Å; W1134-L1152 HydrophobicContact CD2-CD1 3.8Å; W1134-L1152 HydrophobicContact CE3-CB 3.64Å; W1134-L1152 HydrophobicContact CE3-CD1 3.89Å; W1134-L1152 HydrophobicContact CE3-CG 4.42Å; W1134-L1152 HydrophobicContact CG-CD1 3.74Å; W1134-L1152 HydrophobicContact CH2-CB 4.01Å; W1134-L1152 HydrophobicContact CZ2-CB 4.32Å; W1134-L1152 HydrophobicContact CZ3-CB 3.64Å
1135R95Very high86.5Confident89 Ų8947.1 Ų47.134%0.33625%0.248SC..EExtended strand (participates in β ladder)trans-109.9127.9178.5-64.8-164.3-179.585.9-3.3112.2V1063 G1121 Q1122 E1126 V1133V1063-R1135 CarbonylContact O-C 3.58Å; V1063-R1135 VanDerWaalsContact O-CA 3.26Å; V1063-R1135 WeakPolarHBondContact O-CA 3.48Å; G1121-R1135 CarbonylContact C-O 3.49Å; G1121-R1135 WeakPolarHBondContact CA-O 3.44Å; Q1122-R1135 PolarHBondContact N-O 2.97Å; Q1122-R1135 PolarHBondContact O-N 3.42Å; E1126-R1135 IonicContact OE1-CZ 2.83Å; E1126-R1135 IonicContact OE1-NH1 2.71Å; E1126-R1135 PolarHBondContact OE1-NH1 3.43Å; E1126-R1135 IonicContact OE1-NH2 3.69Å; E1126-R1135 IonicContact OE2-CZ 3.66Å; E1126-R1135 VanDerWaalsContact OE2-CZ 3.29Å; E1126-R1135 IonicContact OE2-NH1 2.75Å; E1126-R1135 PolarHBondContact OE2-NH1 2.93Å; E1126-R1135 IonicContact OE2-NH2 2.82Å; E1126-R1135 PolarHBondContact OE2-NH2 3.05Å; V1133-R1135 HydrophobicContact CG1-CG 4.09Å
1136C93.3Very high85.8Confident3 Ų349.1 Ų49.12%0.0227%0.267CS..EExtended strand (participates in β ladder)trans-122.2106173.4-71.20000108.7V1063 W1134 R1138 L1139V1063-C1136 HydrophobicContact CB-CB 4.24Å; V1063-C1136 WeakPolarHBondContact CB-O 3.5Å; V1063-C1136 PolarHBondContact N-O 2.89Å; V1063-C1136 VanDerWaalsContact N-O 3.13Å; V1063-C1136 PolarHBondContact O-N 2.81Å; W1134-C1136 PolarHBondContact NE1-SG 3.42Å; C1136-R1138 VanDerWaalsContact C-N 3.26Å; C1136-R1138 PolarHBondContact O-N 3.14Å; C1136-R1138 VanDerWaalsContact O-N 3.17Å; C1136-L1139 HydrophobicContact CB-CD1 3.75Å; C1136-L1139 HydrophobicContact CB-CD2 3.56Å; C1136-L1139 HydrophobicContact CB-CG 3.55Å
1137P91.6Very high85.4Confident92 Ų9255.1 Ų55.160%0.59729%0.29SS*.EExtended strand (participates in β ladder)trans-58.8-32.2-172.9-2835.4000115.1E1061 D1062E1061-P1137 WeakPolarHBondContact CA-O 3.38Å; D1062-P1137 PolarHBondContact N-O 3.45Å
1138R89Confident85.4Confident95 Ų9553.8 Ų53.836%0.35829%0.286SS..EExtended strand (participates in β ladder)trans-150.4120.4179.1-169.6-177.9177.1-155.2-1.3110.2P1059 C1060 E1061 C1136 E1142P1059-R1138 HydrophobicContact CB-CG 3.59Å; P1059-R1138 HydrophobicContact CG-CG 4.34Å; C1060-R1138 CarbonylContact O-C 3.53Å; C1060-R1138 WeakPolarHBondContact O-CA 3.35Å; E1061-R1138 HydrophobicContact CG-CG 4.4Å; C1136-R1138 VanDerWaalsContact C-N 3.26Å; C1136-R1138 PolarHBondContact O-N 3.14Å; C1136-R1138 VanDerWaalsContact O-N 3.17Å; R1138-E1142 IonicContact NH1-OE2 3.4Å; R1138-E1142 PolarHBondContact NH1-OE2 3.45Å
1139L87Confident85.6Confident0 Ų056.3 Ų56.30%030%0.303CS..EExtended strand (participates in β ladder)trans-126.4129.9174.2-60.4-172.1000110.4L1026 I1045 V1047 C1060 V1063 C1136 H1150L1026-L1139 HydrophobicContact CD1-CD1 4.37Å; I1045-L1139 HydrophobicContact CD1-CD1 4.38Å; I1045-L1139 HydrophobicContact CG2-CD1 4.1Å; V1047-L1139 HydrophobicContact CG2-CB 4.07Å; V1047-L1139 HydrophobicContact CG2-CD1 4.41Å; C1060-L1139 PolarHBondContact N-O 2.84Å; C1060-L1139 PolarHBondContact O-N 2.95Å; V1063-L1139 HydrophobicContact CB-CD1 4.3Å; V1063-L1139 HydrophobicContact CG1-CD1 4.18Å; V1063-L1139 HydrophobicContact CG2-CB 4.36Å; V1063-L1139 HydrophobicContact CG2-CD1 4.16Å; V1063-L1139 HydrophobicContact CG2-CG 4.15Å; C1136-L1139 HydrophobicContact CB-CD1 3.75Å; C1136-L1139 HydrophobicContact CB-CD2 3.56Å; C1136-L1139 HydrophobicContact CB-CG 3.55Å; L1139-H1150 WeakPolarHBondContact CD2-CD2 3.45Å; L1139-H1150 WeakPolarHBondContact CD2-NE2 3.45Å
1140P82.8Confident85.8Confident5 Ų555 Ų553%0.03230%0.297CS..SBendcis-68160-6.930.1-29.1000110.7Q1057 Q1144Q1057-P1140 VanDerWaalsContact CD-CG 3.5Å; Q1057-P1140 HydrophobicContact CG-CG 4.09Å; Q1057-P1140 VanDerWaalsContact NE2-CG 3.3Å; P1140-Q1144 HydrophobicContact CB-CB 3.98Å
1141K79.1Confident86.1Confident73 Ų7351.2 Ų51.232%0.31729%0.285SS..PPolyproline II helixtrans-68.5161.6173.5-65.9168.6166.1161.40110.2S1120 G1143 Q1144S1120-K1141 WeakPolarHBondContact OG-CE 2.9Å; S1120-K1141 PolarHBondContact OG-NZ 3.19Å; K1141-G1143 PolarHBondContact O-N 3.2Å; K1141-Q1144 HydrophobicContact CB-CG 4.03Å; K1141-Q1144 VanDerWaalsContact CB-OE1 3.31Å; K1141-Q1144 VanDerWaalsContact N-OE1 3.11Å; K1141-Q1144 WeakPolarHBondContact O-CB 3.44Å; K1141-Q1144 PolarHBondContact O-N 3.04Å
1142E77.7Confident86.2Confident161 Ų16151.1 Ų51.175%0.75229%0.285SS*.THydrogen-bonded Turntrans-55.6128.3174.1-161.6143.418000111.3R1138 Q1144R1138-E1142 IonicContact NH1-OE2 3.4Å; R1138-E1142 PolarHBondContact NH1-OE2 3.45Å; E1142-Q1144 VanDerWaalsContact C-N 3.33Å; E1142-Q1144 PolarHBondContact O-N 3.4Å
1143G70.6Confident86.2Confident86 Ų8651.6 Ų51.689%0.88729%0.288SS*.THydrogen-bonded Turntrans77.93-173.700000116.1K1141K1141-G1143 PolarHBondContact O-N 3.2Å
1144Q74.6Confident86.1Confident56 Ų5651.5 Ų51.526%0.26229%0.287SS..PPolyproline II helixtrans-92.6129.9173.9-69.6-172.7-35.500112.3Q1057 P1140 K1141 E1142 T1148 H1150Q1057-Q1144 PolarHBondContact NE2-O 3.42Å; Q1057-Q1144 PolarHBondContact OE1-O 2.95Å; P1140-Q1144 HydrophobicContact CB-CB 3.98Å; K1141-Q1144 HydrophobicContact CB-CG 4.03Å; K1141-Q1144 VanDerWaalsContact CB-OE1 3.31Å; K1141-Q1144 VanDerWaalsContact N-OE1 3.11Å; K1141-Q1144 WeakPolarHBondContact O-CB 3.44Å; K1141-Q1144 PolarHBondContact O-N 3.04Å; E1142-Q1144 VanDerWaalsContact C-N 3.33Å; E1142-Q1144 PolarHBondContact O-N 3.4Å; Q1144-T1148 HydrophobicContact CB-CG2 4.43Å; Q1144-H1150 PolarHBondContact OE1-CE1 3.08Å
1145G70.9Confident85.9Confident43 Ų4355.2 Ų55.244%0.44330%0.301SS..PPolyproline II helixtrans-70.3168.2179.900000114.3T1148G1145-T1148 WeakPolarHBondContact O-CB 3.48Å; G1145-T1148 PolarHBondContact O-N 2.97Å; G1145-T1148 PolarHBondContact O-OG1 3.3Å
1146A77Confident85.7Confident51 Ų5151.1 Ų51.142%0.42129%0.286SS..THydrogen-bonded Turntrans-49.2150.6163.400000112.3P1048 T1148P1048-A1146 WeakPolarHBondContact O-CB 3.47Å; A1146-T1148 PolarHBondContact O-N 2.6Å
1147Y81.1Confident85.5Confident138 Ų13854.3 Ų54.354%0.54131%0.313SS..THydrogen-bonded Turntrans59.120.3-178.1-52.5-89.8000114.9L1046 V1047 P1048 T1149L1046-Y1147 HydrophobicContact CD2-CD1 4.03Å; V1047-Y1147 WeakPolarHBondContact O-CA 3.18Å; V1047-Y1147 PolarHBondContact O-N 2.79Å; P1048-Y1147 HydrophobicContact CB-CD1 4.33Å; P1048-Y1147 HydrophobicContact CB-CE1 3.86Å; Y1147-T1149 PolarHBondContact O-N 2.84Å
1148T85.1Confident85.3Confident33 Ų3350.1 Ų50.120%0.20229%0.285CS..EExtended strand (participates in β ladder)trans-64.6127.6169.6-64.90000109.5V1047 Q1144 G1145 A1146V1047-T1148 PolarHBondContact N-O 3.41Å; Q1144-T1148 HydrophobicContact CB-CG2 4.43Å; G1145-T1148 WeakPolarHBondContact O-CB 3.48Å; G1145-T1148 PolarHBondContact O-N 2.97Å; G1145-T1148 PolarHBondContact O-OG1 3.3Å; A1146-T1148 PolarHBondContact O-N 2.6Å
1149T89.1Confident85.1Confident80 Ų8048.9 Ų48.949%0.49129%0.288SS..EExtended strand (participates in β ladder)trans-98.7148.5175.855.50000112.3I1045 L1046 Y1147I1045-T1149 CarbonylContact O-C 3.53Å; I1045-T1149 VanDerWaalsContact O-CA 3.28Å; I1045-T1149 WeakPolarHBondContact O-CA 3.01Å; L1046-T1149 HydrophobicContact CB-CG2 4.07Å; L1046-T1149 HydrophobicContact CD1-CG2 3.86Å; L1046-T1149 HydrophobicContact CG-CG2 4.1Å; Y1147-T1149 PolarHBondContact O-N 2.84Å
1150H92Very high84.9Confident7 Ų754.1 Ų54.13%0.03232%0.324CS..EExtended strand (participates in β ladder)trans-132.5139.4173.7-63.2-22.1000109.8D1044 I1045 T1119 S1120 W1134 L1139 Q1144D1044-H1150 CarbonylContact C-O 3.38Å; D1044-H1150 WeakPolarHBondContact CA-O 3.42Å; I1045-H1150 PolarHBondContact N-O 3.49Å; I1045-H1150 PolarHBondContact O-N 3.1Å; T1119-H1150 VanDerWaalsContact OG1-CA 3.26Å; T1119-H1150 WeakPolarHBondContact OG1-CA 3.26Å; S1120-H1150 WeakPolarHBondContact CB-CD2 3.36Å; S1120-H1150 VanDerWaalsContact CB-CG 3.4Å; S1120-H1150 PolarHBondContact OG-CD2 3.35Å; S1120-H1150 PolarHBondContact OG-NE2 3.17Å; S1120-H1150 VanDerWaalsContact OG-NE2 3.12Å; W1134-H1150 HydrophobicContact CH2-CB 4.11Å; W1134-H1150 HydrophobicContact CZ2-CB 4.06Å; L1139-H1150 WeakPolarHBondContact CD2-CD2 3.45Å; L1139-H1150 WeakPolarHBondContact CD2-NE2 3.45Å; Q1144-H1150 PolarHBondContact OE1-CE1 3.08Å
1151Q93.5Very high84.8Confident59 Ų5963.7 Ų63.728%0.27636%0.362SS..EExtended strand (participates in β ladder)trans-116.5142-176.1-34.6-160.4-88.300110.8A1043 D1044 V1118 T1119A1043-Q1151 CarbonylContact O-C 3.57Å; A1043-Q1151 WeakPolarHBondContact O-CA 3.35Å; D1044-Q1151 WeakPolarHBondContact OD1-CB 3.19Å; D1044-Q1151 WeakPolarHBondContact OD1-CG 3.34Å; D1044-Q1151 PolarHBondContact OD1-NE2 3.27Å; V1118-Q1151 CarbonylContact C-O 3.43Å; V1118-Q1151 WeakPolarHBondContact CA-O 3.31Å; T1119-Q1151 HydrophobicContact CG2-CB 3.87Å; T1119-Q1151 HydrophobicContact CG2-CG 4.02Å; T1119-Q1151 PolarHBondContact N-O 3.08Å; T1119-Q1151 PolarHBondContact OG1-N 3.09Å
1152L95.1Very high85.2Confident0 Ų061.6 Ų61.60%035%0.354CS..EExtended strand (participates in β ladder)trans-115136.3159.4175.8152.2000108.3L1041 A1043 F1067 E1117 V1118 A1123 I1132 W1134 C1154L1041-L1152 HydrophobicContact CD2-CD2 4.23Å; L1041-L1152 HydrophobicContact CG-CD2 4.4Å; A1043-L1152 HydrophobicContact CB-CB 4.39Å; A1043-L1152 PolarHBondContact N-O 2.89Å; A1043-L1152 PolarHBondContact O-N 3.11Å; F1067-L1152 HydrophobicContact CE2-CD1 4.15Å; F1067-L1152 HydrophobicContact CE2-CD2 4.48Å; E1117-L1152 WeakPolarHBondContact O-CA 3.41Å; V1118-L1152 HydrophobicContact CG1-CB 4.08Å; V1118-L1152 HydrophobicContact CG1-CD1 3.88Å; V1118-L1152 HydrophobicContact CG1-CG 3.96Å; A1123-L1152 HydrophobicContact CB-CD1 3.58Å; I1132-L1152 HydrophobicContact CG2-CD1 4.34Å; W1134-L1152 HydrophobicContact CB-CD1 3.71Å; W1134-L1152 HydrophobicContact CD2-CB 3.97Å; W1134-L1152 HydrophobicContact CD2-CD1 3.8Å; W1134-L1152 HydrophobicContact CE3-CB 3.64Å; W1134-L1152 HydrophobicContact CE3-CD1 3.89Å; W1134-L1152 HydrophobicContact CE3-CG 4.42Å; W1134-L1152 HydrophobicContact CG-CD1 3.74Å; W1134-L1152 HydrophobicContact CH2-CB 4.01Å; W1134-L1152 HydrophobicContact CZ2-CB 4.32Å; W1134-L1152 HydrophobicContact CZ3-CB 3.64Å; L1152-C1154 HydrophobicContact CD2-CB 4.47Å
1153V94.2Very high85.4Confident9 Ų961.1 Ų61.16%0.05535%0.352CS..EExtended strand (participates in β ladder)trans-132.4124.5172.4-178.70000107.9E1040 L1041 I1116 E1117 R1155E1040-V1153 HydrophobicContact CG-CG1 3.92Å; E1040-V1153 WeakPolarHBondContact OE1-CG1 3.48Å; L1041-V1153 CarbonylContact O-C 3.53Å; L1041-V1153 WeakPolarHBondContact O-CA 3.18Å; I1116-V1153 CarbonylContact C-O 3.59Å; I1116-V1153 WeakPolarHBondContact CA-O 3.16Å; E1117-V1153 PolarHBondContact N-O 3.43Å; E1117-V1153 PolarHBondContact O-N 2.76Å; V1153-R1155 HydrophobicContact CG1-CG 4.23Å
1154C93.8Very high86Confident0 Ų060.3 Ų60.30%033%0.326CS..EExtended strand (participates in β ladder)trans-119.1127171.3171.10000109.5E1040 L1041 L1115 I1116 I1132 L1152E1040-C1154 CarbonylContact C-O 3.59Å; E1040-C1154 VanDerWaalsContact CA-O 3.25Å; E1040-C1154 WeakPolarHBondContact CA-O 3.37Å; L1041-C1154 HydrophobicContact CB-CB 4.22Å; L1041-C1154 PolarHBondContact N-O 2.92Å; L1041-C1154 PolarHBondContact O-N 3.46Å; L1115-C1154 CarbonylContact O-C 3.59Å; L1115-C1154 WeakPolarHBondContact O-CA 3.44Å; L1115-C1154 PolarHBondContact O-SG 3.23Å; I1116-C1154 HydrophobicContact CG1-CB 4.25Å; I1132-C1154 HydrophobicContact CD1-CB 3.98Å; L1152-C1154 HydrophobicContact CD2-CB 4.47Å
1155R92Very high86.3Confident80 Ų8059.7 Ų59.730%0.30233%0.327SS..EExtended strand (participates in β ladder)trans-115.8111.8-177-71.1-176.9-173.8152.920.1110.4E1040 E1113 L1115 V1153E1040-R1155 HydrophobicContact CG-CG 3.86Å; E1040-R1155 WeakPolarHBondContact OE1-CG 3.49Å; E1040-R1155 IonicContact OE1-CZ 3.31Å; E1040-R1155 IonicContact OE1-NE 3.11Å; E1040-R1155 PolarHBondContact OE1-NE 3.09Å; E1040-R1155 IonicContact OE1-NH2 2.71Å; E1113-R1155 IonicContact OE1-NH1 2.69Å; E1113-R1155 VanDerWaalsContact OE2-CD 3.28Å; E1113-R1155 WeakPolarHBondContact OE2-CD 3.43Å; E1113-R1155 IonicContact OE2-CZ 3.21Å; E1113-R1155 IonicContact OE2-NE 2.68Å; E1113-R1155 IonicContact OE2-NH1 3.19Å; E1113-R1155 PolarHBondContact OE2-NH1 3.06Å; L1115-R1155 VanDerWaalsContact CD1-O 3.27Å; L1115-R1155 WeakPolarHBondContact CD1-O 3.47Å; L1115-R1155 PolarHBondContact O-N 3.09Å; V1153-R1155 HydrophobicContact CG1-CG 4.23Å
1156M90.4Very high86.7Confident3 Ų363.7 Ų63.72%0.01535%0.348CS..EExtended strand (participates in β ladder)trans-103.6122.6172.7-65.5174.7-70.100109.4W1032 K1038 V1039 W1073 L1076 F1077 L1115 L1158W1032-M1156 HydrophobicContact CH2-CE 4.17Å; W1032-M1156 HydrophobicContact CZ3-CE 3.69Å; K1038-M1156 WeakPolarHBondContact CA-O 3.45Å; V1039-M1156 HydrophobicContact CB-CB 4.44Å; V1039-M1156 HydrophobicContact CB-CE 4.1Å; V1039-M1156 HydrophobicContact CG1-CE 3.78Å; V1039-M1156 PolarHBondContact N-O 3.26Å; V1039-M1156 PolarHBondContact O-N 3.25Å; W1073-M1156 HydrophobicContact CB-SD 4.38Å; W1073-M1156 HydrophobicContact CD2-CE 4.44Å; W1073-M1156 HydrophobicContact CD2-SD 4.26Å; W1073-M1156 HydrophobicContact CE3-CE 3.5Å; W1073-M1156 HydrophobicContact CE3-SD 3.74Å; W1073-M1156 HydrophobicContact CZ3-CE 3.56Å; W1073-M1156 HydrophobicContact CZ3-SD 4.4Å; L1076-M1156 HydrophobicContact CD1-CB 4.26Å; L1076-M1156 HydrophobicContact CD1-CG 4.16Å; L1076-M1156 HydrophobicContact CD1-SD 4.21Å; F1077-M1156 HydrophobicContact CE2-CG 4.48Å; F1077-M1156 HydrophobicContact CE2-SD 3.65Å; F1077-M1156 HydrophobicContact CZ-CG 4.05Å; F1077-M1156 HydrophobicContact CZ-SD 3.56Å; F1077-M1156 VanDerWaalsContact CZ-SD 3.56Å; L1115-M1156 HydrophobicContact CD1-CG 4.5Å; M1156-L1158 HydrophobicContact CB-CD2 4.24Å
1157A88.1Confident86.8Confident70 Ų7069 Ų6958%0.57936%0.364SS*.EExtended strand (participates in β ladder)trans-100.396.4168.400000107.9
1158L87.5Confident87Confident4 Ų463.4 Ų63.42%0.02134%0.344CS..  trans-71.7147.3-179-58-176000110.6N1037 V1039 W1073 L1076 M1156 D1162 I1164N1037-L1158 WeakPolarHBondContact CB-O 3.34Å; N1037-L1158 PolarHBondContact ND2-O 2.94Å; N1037-L1158 WeakPolarHBondContact O-CB 3.24Å; N1037-L1158 PolarHBondContact O-N 3.26Å; V1039-L1158 HydrophobicContact CG2-CD1 3.74Å; V1039-L1158 HydrophobicContact CG2-CG 4.32Å; W1073-L1158 HydrophobicContact CG-CD2 4.45Å; W1073-L1158 HydrophobicContact CZ2-CD1 3.99Å; L1076-L1158 HydrophobicContact CD1-CD2 3.73Å; M1156-L1158 HydrophobicContact CB-CD2 4.24Å; L1158-D1162 HydrophobicContact CB-CB 3.86Å; L1158-D1162 HydrophobicContact CD1-CB 4.48Å; L1158-D1162 HydrophobicContact CD2-CB 4.22Å; L1158-D1162 HydrophobicContact CG-CB 4.4Å; L1158-I1164 HydrophobicContact CD1-CD1 4.06Å; L1158-I1164 HydrophobicContact CD1-CG1 3.56Å
1159T85.8Confident87.1Confident69 Ų6962.9 Ų62.942%0.42334%0.343SS..  trans-80.7176.9172.274.90000111Y1161 D1162T1159-Y1161 PolarHBondContact O-N 2.84Å; T1159-Y1161 PolarHBondContact OG1-N 2.92Å; T1159-D1162 WeakPolarHBondContact CA-OD2 3.4Å; T1159-D1162 VanDerWaalsContact CB-OD2 3.24Å; T1159-D1162 WeakPolarHBondContact CB-OD2 3.44Å; T1159-D1162 WeakPolarHBondContact CG2-OD2 3.44Å; T1159-D1162 PolarHBondContact N-OD2 3.27Å; T1159-D1162 PolarHBondContact O-N 2.86Å; T1159-D1162 PolarHBondContact OG1-N 2.9Å; T1159-D1162 PolarHBondContact OG1-OD2 3.37Å
1160S82Confident87.2Confident109 Ų10962.9 Ų62.976%0.76234%0.344SS*.THydrogen-bonded Turntrans-70.6-9.4172.252.20000114.5
1161Y82.2Confident87.3Confident207 Ų20766.8 Ų66.881%0.81236%0.359SS*.THydrogen-bonded Turntrans-100.9-12.5179.6-57.5-73.3000112.6T1159 Q1163T1159-Y1161 PolarHBondContact O-N 2.84Å; T1159-Y1161 PolarHBondContact OG1-N 2.92Å; Y1161-Q1163 PolarHBondContact O-N 3.48Å
1162D85.8Confident87.4Confident28 Ų2864 Ų6415%0.1535%0.346CS..PPolyproline II helixtrans-77.2122.1-177.6-74.2-59.5000111.8Y1075 L1158 T1159 I1164Y1075-D1162 WeakPolarHBondContact CE1-OD1 3.5Å; Y1075-D1162 VanDerWaalsContact OH-CG 3.31Å; Y1075-D1162 PolarHBondContact OH-OD1 3.36Å; Y1075-D1162 PolarHBondContact OH-OD2 3.13Å; L1158-D1162 HydrophobicContact CB-CB 3.86Å; L1158-D1162 HydrophobicContact CD1-CB 4.48Å; L1158-D1162 HydrophobicContact CD2-CB 4.22Å; L1158-D1162 HydrophobicContact CG-CB 4.4Å; T1159-D1162 WeakPolarHBondContact CA-OD2 3.4Å; T1159-D1162 VanDerWaalsContact CB-OD2 3.24Å; T1159-D1162 WeakPolarHBondContact CB-OD2 3.44Å; T1159-D1162 WeakPolarHBondContact CG2-OD2 3.44Å; T1159-D1162 PolarHBondContact N-OD2 3.27Å; T1159-D1162 PolarHBondContact O-N 2.86Å; T1159-D1162 PolarHBondContact OG1-N 2.9Å; T1159-D1162 PolarHBondContact OG1-OD2 3.37Å; D1162-I1164 PolarHBondContact O-N 3.18Å
1163Q82.2Confident87.4Confident152 Ų15267.3 Ų67.371%0.7136%0.36SS*.PPolyproline II helixtrans-76.3126.8174.5-60.2-177.821.100109.3C1072 W1073 Y1161C1072-Q1163 PolarHBondContact SG-O 2.79Å; W1073-Q1163 PolarHBondContact NE1-O 3.34Å; Y1161-Q1163 PolarHBondContact O-N 3.48Å
1164I83.7Confident87.5Confident69 Ų6967 Ų6735%0.35436%0.358SS..PPolyproline II helixtrans-86.9117.9161.8-59.9175.1000106V1034 W1073 L1158 D1162V1034-I1164 HydrophobicContact CG1-CD1 4.14Å; W1073-I1164 HydrophobicContact CZ2-CB 4.48Å; W1073-I1164 HydrophobicContact CZ2-CG1 4.34Å; W1073-I1164 HydrophobicContact CZ2-CG2 4.29Å; L1158-I1164 HydrophobicContact CD1-CD1 4.06Å; L1158-I1164 HydrophobicContact CD1-CG1 3.56Å; D1162-I1164 PolarHBondContact O-N 3.18Å
1165P81.9Confident87.5Confident43 Ų4368.6 Ų68.628%0.27937%0.366SS..PPolyproline II helixtrans-58.8152.1175.6-22.232.6000111.7P1070 E1167P1070-P1165 HydrophobicContact CB-CG 3.64Å; P1070-P1165 HydrophobicContact CG-CG 3.77Å; P1165-E1167 PolarHBondContact O-N 3.38Å
1166S77.7Confident87.6Confident126 Ų12665.1 Ų65.188%0.88135%0.353SS*.SBendtrans-61-28.2174.551.50000113.1
1167E80.5Confident87.7Confident164 Ų16466.7 Ų66.777%0.76636%0.363SS*.SBendtrans-131.3124.4179-65.6177-160.900109.3P1165P1165-E1167 PolarHBondContact O-N 3.38Å
1168L85.3Confident87.8Confident20 Ų2063.5 Ų63.511%0.10534%0.336CS..  trans-86.5158.3168.1-58.3-174.8000109.6W1032 V1034 P1070 W1073 P1170 T1220W1032-L1168 HydrophobicContact CB-CD1 4.04Å; W1032-L1168 HydrophobicContact CD2-CD1 3.9Å; W1032-L1168 HydrophobicContact CE3-CD1 4.31Å; W1032-L1168 HydrophobicContact CG-CD1 3.77Å; V1034-L1168 HydrophobicContact CG2-CD1 3.93Å; P1070-L1168 HydrophobicContact CG-CD2 4.24Å; W1073-L1168 HydrophobicContact CH2-CD1 4.37Å; W1073-L1168 HydrophobicContact CH2-CD2 3.46Å; W1073-L1168 VanDerWaalsContact CH2-CD2 3.46Å; W1073-L1168 HydrophobicContact CZ2-CD2 4.18Å; W1073-L1168 HydrophobicContact CZ3-CD2 4.08Å; L1168-P1170 VanDerWaalsContact O-CD 3.22Å; L1168-P1170 WeakPolarHBondContact O-CD 3.44Å; L1168-P1170 VanDerWaalsContact O-N 3.07Å; L1168-T1220 HydrophobicContact CD1-CG2 4.43Å
1169A86.9Confident87.7Confident22 Ų2264.6 Ų64.618%0.18234%0.343CS..  trans-55.8115179.800000110.8P1068 Y1171P1068-A1169 HydrophobicContact CB-CB 3.8Å; P1068-A1169 HydrophobicContact CG-CB 4.13Å; A1169-Y1171 VanDerWaalsContact C-N 3.28Å; A1169-Y1171 PolarHBondContact O-N 2.85Å
1170P91.4Very high87.3Confident79 Ų7963.7 Ų63.751%0.51334%0.342SS..  trans-81.3-5.9-170.430-33.7000113.6L1168 G1217 I1218L1168-P1170 VanDerWaalsContact O-CD 3.22Å; L1168-P1170 WeakPolarHBondContact O-CD 3.44Å; L1168-P1170 VanDerWaalsContact O-N 3.07Å; P1170-G1217 WeakPolarHBondContact O-CA 3.28Å; P1170-I1218 PolarHBondContact O-N 3.28Å
1171Y94.2Very high86.7Confident90 Ų9058.8 Ų58.835%0.35331%0.308SS..EExtended strand (participates in β ladder)trans-135.2140.2-178.3-56.9-71.4000112.6P1068 A1169 K1215 V1216P1068-Y1171 WeakPolarHBondContact CD-O 3.37Å; A1169-Y1171 VanDerWaalsContact C-N 3.28Å; A1169-Y1171 PolarHBondContact O-N 2.85Å; Y1171-K1215 HydrophobicContact CD1-CD 4.37Å; Y1171-K1215 HydrophobicContact CD1-CG 3.88Å; Y1171-K1215 HydrophobicContact CG-CD 4.31Å; Y1171-K1215 VanDerWaalsContact CG-CE 3.44Å; Y1171-K1215 HydrophobicContact CG-CG 3.88Å; Y1171-V1216 CarbonylContact C-O 3.51Å; Y1171-V1216 VanDerWaalsContact CA-O 3.26Å; Y1171-V1216 WeakPolarHBondContact CA-O 3.27Å
1172A95.5Very high85.9Confident0 Ų050.7 Ų50.70%028%0.278CS..EExtended strand (participates in β ladder)trans-95.6148.2160.400000109.7L1028 V1065 F1067 V1216 I1218L1028-A1172 HydrophobicContact CD2-CB 4.04Å; V1065-A1172 HydrophobicContact CG1-CB 4.5Å; F1067-A1172 HydrophobicContact CD1-CB 3.71Å; F1067-A1172 HydrophobicContact CE1-CB 3.77Å; A1172-V1216 PolarHBondContact N-O 3.09Å; A1172-V1216 PolarHBondContact O-N 3.48Å; A1172-I1218 HydrophobicContact CB-CD1 4.03Å; A1172-I1218 HydrophobicContact CB-CG1 4.18Å
1173F95Very high85.5Confident70 Ų7050 Ų5031%0.30728%0.275SS..EExtended strand (participates in β ladder)trans-111.9129176.9-57.5-87.8000109.9V1065 R1066 P1068 Y1214 K1215V1065-F1173 CarbonylContact C-O 3.48Å; V1065-F1173 WeakPolarHBondContact CA-O 3.25Å; R1066-F1173 HydrophobicContact CB-CB 4.34Å; R1066-F1173 PolarHBondContact N-O 2.87Å; R1066-F1173 PolarHBondContact O-N 2.83Å; P1068-F1173 HydrophobicContact CG-CD2 4.3Å; P1068-F1173 HydrophobicContact CG-CE2 4.08Å; F1173-Y1214 CarbonylContact C-O 3.44Å; F1173-Y1214 WeakPolarHBondContact CA-O 3.48Å; F1173-K1215 HydrophobicContact CD1-CG 4.5Å; F1173-K1215 HydrophobicContact CE1-CG 4.13Å
1174V95.3Very high85.5Confident1 Ų143.2 Ų43.21%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-118.5127.6-179.8-170.60000109.4L1026 L1028 V1065 F1176 E1213 Y1214 V1216L1026-V1174 HydrophobicContact CD2-CG1 4.26Å; L1028-V1174 HydrophobicContact CD2-CG2 3.52Å; V1065-V1174 HydrophobicContact CG1-CG2 4.16Å; V1065-V1174 HydrophobicContact CG2-CG1 3.98Å; V1065-V1174 HydrophobicContact CG2-CG2 4.12Å; V1174-F1176 HydrophobicContact CG1-CD1 3.98Å; V1174-F1176 HydrophobicContact CG1-CE1 4.34Å; V1174-E1213 CarbonylContact O-C 3.4Å; V1174-E1213 WeakPolarHBondContact O-CA 3.23Å; V1174-Y1214 HydrophobicContact CB-CD2 4.47Å; V1174-Y1214 PolarHBondContact N-O 3.19Å; V1174-Y1214 PolarHBondContact O-N 3.1Å; V1174-V1216 HydrophobicContact CG2-CG2 4.19Å
1175E94.3Very high85.5Confident34 Ų3441.2 Ų41.216%0.15923%0.233CC..EExtended strand (participates in β ladder)trans-125.4132.5174.8-74.5156.1156.100109Y877 K881 S1064 R1066 H1212 E1213Y877-E1175 PolarHBondContact OH-OE1 2.96Å; K881-E1175 IonicContact NZ-OE1 3.35Å; S1064-E1175 PolarHBondContact N-O 3.48Å; S1064-E1175 PolarHBondContact O-N 2.84Å; R1066-E1175 IonicContact CZ-OE1 2.74Å; R1066-E1175 IonicContact CZ-OE2 3.84Å; R1066-E1175 VanDerWaalsContact CZ-OE2 3.27Å; R1066-E1175 IonicContact NE-OE2 2.55Å; R1066-E1175 PolarHBondContact NE-OE2 2.98Å; R1066-E1175 IonicContact NH2-OE1 3.78Å; R1066-E1175 PolarHBondContact NH2-OE1 2.9Å; R1066-E1175 IonicContact NH2-OE2 3.9Å; R1066-E1175 PolarHBondContact NH2-OE2 3.32Å; E1175-H1212 WeakPolarHBondContact CA-O 3.47Å; E1175-E1213 HydrophobicContact CG-CG 4.39Å
1176F94Very high85.8Confident8 Ų839.2 Ų39.24%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-158163.3174.663.7-80.9000112P1025 L1026 C1060 V1063 V1174 M1178 H1212 Y1214P1025-F1176 HydrophobicContact CG-CE2 4.14Å; P1025-F1176 HydrophobicContact CG-CZ 4.09Å; L1026-F1176 HydrophobicContact CB-CE1 4.11Å; L1026-F1176 HydrophobicContact CB-CE2 4.49Å; L1026-F1176 HydrophobicContact CB-CZ 3.88Å; C1060-F1176 HydrophobicContact CB-CD2 3.69Å; C1060-F1176 HydrophobicContact CB-CE2 4.13Å; C1060-F1176 HydrophobicContact CB-CG 4.44Å; C1060-F1176 VanDerWaalsContact SG-CE2 3.58Å; V1063-F1176 HydrophobicContact CB-CB 4.2Å; V1063-F1176 HydrophobicContact CG1-CB 4.41Å; V1063-F1176 HydrophobicContact CG2-CB 3.8Å; V1063-F1176 HydrophobicContact CG2-CG 4.47Å; V1174-F1176 HydrophobicContact CG1-CD1 3.98Å; V1174-F1176 HydrophobicContact CG1-CE1 4.34Å; F1176-M1178 HydrophobicContact CD2-CG 4.07Å; F1176-M1178 HydrophobicContact CE2-CG 3.97Å; F1176-M1178 HydrophobicContact CE2-SD 4.07Å; F1176-H1212 HydrophobicContact CD1-CB 3.74Å; F1176-H1212 HydrophobicContact CD2-CB 4.06Å; F1176-H1212 AromaticContact CD2-ND1 3.97Å; F1176-H1212 HydrophobicContact CE1-CB 3.41Å; F1176-H1212 VanDerWaalsContact CE1-CB 3.41Å; F1176-H1212 HydrophobicContact CE2-CB 3.75Å; F1176-H1212 AromaticContact CE2-CG 3.58Å; F1176-H1212 AromaticContact CE2-ND1 3.51Å; F1176-H1212 HydrophobicContact CG-CB 4.07Å; F1176-H1212 HydrophobicContact CZ-CB 3.43Å; F1176-H1212 VanDerWaalsContact CZ-CB 3.43Å; F1176-H1212 AromaticContact CZ-CD2 3.86Å; F1176-H1212 AromaticContact CZ-CG 3.51Å; F1176-H1212 AromaticContact CZ-ND1 3.95Å; F1176-H1212 PolarHBondContact N-O 3.2Å; F1176-H1212 VanDerWaalsContact N-O 3.14Å; F1176-H1212 PolarHBondContact O-N 2.86Å; F1176-Y1214 HydrophobicContact CE1-CD2 4.07Å; F1176-Y1214 HydrophobicContact CE1-CE1 4.25Å; F1176-Y1214 AromaticContact CE1-CE2 3.61Å; F1176-Y1214 HydrophobicContact CE1-CE2 3.61Å; F1176-Y1214 AromaticContact CE1-CZ 3.72Å; F1176-Y1214 HydrophobicContact CZ-CE1 4.41Å; F1176-Y1214 AromaticContact CZ-CE2 3.87Å; F1176-Y1214 HydrophobicContact CZ-CE2 3.87Å; F1176-Y1214 AromaticContact CZ-CZ 3.69Å
1177T92.9Very high86.5Confident36 Ų3633.7 Ų33.722%0.22118%0.181CC..EExtended strand (participates in β ladder)trans-112.8159.7171.572.20000111.1C1060 E1061 A1210 R1211C1060-T1177 CarbonylContact C-O 3.58Å; C1060-T1177 WeakPolarHBondContact CA-O 3.49Å; E1061-T1177 PolarHBondContact N-O 2.65Å; E1061-T1177 PolarHBondContact O-N 3.48Å; E1061-T1177 PolarHBondContact O-OG1 2.83Å; T1177-A1210 CarbonylContact C-O 3.55Å; T1177-A1210 WeakPolarHBondContact CA-O 3.42Å; T1177-R1211 HydrophobicContact CG2-CG 4.35Å
1178M90Very high87Confident2 Ų225.9 Ų25.91%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-133.5112.7167.9-68-175.676.400108.8P1025 F1050 I1058 C1060 F1176 T1181 A1210 H1212P1025-M1178 HydrophobicContact CB-CE 3.91Å; P1025-M1178 HydrophobicContact CB-SD 3.52Å; P1025-M1178 VanDerWaalsContact CB-SD 3.52Å; P1025-M1178 HydrophobicContact CG-SD 3.65Å; F1050-M1178 HydrophobicContact CB-CE 3.94Å; F1050-M1178 HydrophobicContact CD1-CE 4.3Å; F1050-M1178 HydrophobicContact CG-CE 4.26Å; I1058-M1178 HydrophobicContact CB-CE 4.28Å; I1058-M1178 HydrophobicContact CG2-CE 3.88Å; C1060-M1178 HydrophobicContact CB-CG 4.49Å; F1176-M1178 HydrophobicContact CD2-CG 4.07Å; F1176-M1178 HydrophobicContact CE2-CG 3.97Å; F1176-M1178 HydrophobicContact CE2-SD 4.07Å; M1178-T1181 HydrophobicContact CB-CG2 3.41Å; M1178-T1181 VanDerWaalsContact CB-CG2 3.41Å; M1178-T1181 HydrophobicContact CE-CG2 4.24Å; M1178-T1181 HydrophobicContact CG-CG2 4.31Å; M1178-T1181 HydrophobicContact SD-CG2 4.02Å; M1178-A1210 HydrophobicContact CB-CB 4.43Å; M1178-A1210 PolarHBondContact N-O 2.86Å; M1178-A1210 PolarHBondContact O-N 2.94Å; M1178-A1210 VanDerWaalsContact O-N 3.07Å; M1178-H1212 VanDerWaalsContact SD-CE1 3.56Å
1179P85.9Confident87.3Confident28 Ų2827.9 Ų27.918%0.18215%0.15CC..EExtended strand (participates in β ladder)trans-69.4142.7176.431.2-37.4000110.6I1058 P1059 E1061 T1181I1058-P1179 WeakPolarHBondContact CG2-O 3.4Å; P1059-P1179 HydrophobicContact CG-CG 4.48Å; E1061-P1179 WeakPolarHBondContact OE2-CG 3.17Å; P1179-T1181 PolarHBondContact O-N 3.39Å
1180A77.6Confident87.6Confident49 Ų4927 Ų2741%0.40514%0.143SC..THydrogen-bonded Turntrans56.415.717100000116.7L1055 Y1208L1055-A1180 HydrophobicContact CD2-CB 3.54Å; A1180-Y1208 WeakPolarHBondContact CA-O 3.5Å; A1180-Y1208 PolarHBondContact N-O 3.19Å
1181T67.7Low87.7Confident6 Ų623.3 Ų23.34%0.03712%0.119CC..  trans-93.5165.9168.6-154.40000111.7F1050 M1178 P1179 A1210F1050-T1181 WeakPolarHBondContact CE1-OG1 3.44Å; M1178-T1181 HydrophobicContact CB-CG2 3.41Å; M1178-T1181 VanDerWaalsContact CB-CG2 3.41Å; M1178-T1181 HydrophobicContact CE-CG2 4.24Å; M1178-T1181 HydrophobicContact CG-CG2 4.31Å; M1178-T1181 HydrophobicContact SD-CG2 4.02Å; P1179-T1181 PolarHBondContact O-N 3.39Å; T1181-A1210 HydrophobicContact CG2-CB 3.53Å
1182Q67.3Low87.7Confident38 Ų3819.6 Ų19.618%0.17811%0.106CC..  trans-136.6118.6172.5-62.2168.9-4.400108.1R1022 T1186 Y1208R1022-Q1182 PolarHBondContact NH2-O 2.79Å; Q1182-T1186 PolarHBondContact NE2-O 2.91Å; Q1182-T1186 PolarHBondContact OE1-O 3.21Å; Q1182-Y1208 HydrophobicContact CG-CD1 3.97Å; Q1182-Y1208 HydrophobicContact CG-CG 4.24Å
1183V76.2Confident87.5Confident14 Ų1420.7 Ų20.79%0.08511%0.113CC..SBendtrans-90.5-33.2168.8-174.70000109.6D915 I917 R1022 H1185 A1210D915-V1183 PolarHBondContact OD2-N 3Å; I917-V1183 HydrophobicContact CD1-CB 3.91Å; I917-V1183 HydrophobicContact CD1-CG1 4.48Å; I917-V1183 HydrophobicContact CD1-CG2 3.75Å; I917-V1183 HydrophobicContact CG1-CB 3.98Å; I917-V1183 HydrophobicContact CG1-CG1 4.05Å; I917-V1183 HydrophobicContact CG1-CG2 4.22Å; R1022-V1183 PolarHBondContact NH1-O 3.14Å; V1183-H1185 VanDerWaalsContact C-N 3.3Å; V1183-H1185 PolarHBondContact O-CD2 3.46Å; V1183-A1210 HydrophobicContact CG2-CB 4.33Å
1184S81.5Confident87.2Confident9 Ų920.8 Ų20.86%0.06311%0.114CC..SBendtrans-73.8-18171.766.20000114.3D915 I977 T1186D915-S1184 VanDerWaalsContact CG-OG 3.23Å; D915-S1184 VanDerWaalsContact OD1-CB 3.25Å; D915-S1184 WeakPolarHBondContact OD1-CB 3.48Å; D915-S1184 PolarHBondContact OD1-OG 3.33Å; D915-S1184 PolarHBondContact OD2-N 2.64Å; D915-S1184 PolarHBondContact OD2-OG 3.2Å; D915-S1184 VanDerWaalsContact OD2-OG 3.14Å; I977-S1184 VanDerWaalsContact CG2-O 3.28Å; I977-S1184 WeakPolarHBondContact CG2-O 3.28Å; S1184-T1186 WeakPolarHBondContact CB-OG1 2.94Å; S1184-T1186 PolarHBondContact O-N 2.8Å; S1184-T1186 VanDerWaalsContact OG-CB 3.31Å; S1184-T1186 WeakPolarHBondContact OG-CB 3.46Å; S1184-T1186 PolarHBondContact OG-N 3.31Å; S1184-T1186 VanDerWaalsContact OG-N 3.13Å; S1184-T1186 PolarHBondContact OG-OG1 2.83Å
1185H84.4Confident86.6Confident27 Ų2726.3 Ų26.313%0.12514%0.144CC..  trans57.323.2-166.4-59.4-108.1000114.2L707 N953 E975 I977 R1022 V1183 T1187L707-H1185 HydrophobicContact CD1-CB 3.92Å; N953-H1185 PolarHBondContact ND2-O 2.91Å; E975-H1185 HydrophobicContact CB-CB 4.45Å; E975-H1185 IonicContact OE1-CE1 2.74Å; E975-H1185 PolarHBondContact OE1-CE1 3.08Å; E975-H1185 VanDerWaalsContact OE1-CE1 3.31Å; E975-H1185 IonicContact OE1-ND1 3.75Å; E975-H1185 PolarHBondContact OE1-ND1 3.25Å; E975-H1185 IonicContact OE2-CE1 2.72Å; E975-H1185 IonicContact OE2-CG 2.68Å; E975-H1185 IonicContact OE2-ND1 2.78Å; E975-H1185 PolarHBondContact OE2-ND1 2.81Å; I977-H1185 HydrophobicContact CG2-CB 4.14Å; R1022-H1185 PolarHBondContact NH1-CD2 2.66Å; R1022-H1185 PolarHBondContact NH1-NE2 3.04Å; R1022-H1185 PolarHBondContact NH2-NE2 3.48Å; V1183-H1185 VanDerWaalsContact C-N 3.3Å; V1183-H1185 PolarHBondContact O-CD2 3.46Å; H1185-T1187 PolarHBondContact O-N 3.03Å
1186T89.2Confident85.8Confident0 Ų026.7 Ų26.70%015%0.15CC..  trans-66.3119.3175.1-56.10000110.4V934 V952 I977 F1014 Q1182 S1184 Y1208V934-T1186 HydrophobicContact CG1-CG2 4.3Å; V952-T1186 HydrophobicContact CG1-CG2 3.84Å; I977-T1186 HydrophobicContact CD1-CG2 4.25Å; F1014-T1186 HydrophobicContact CE1-CG2 4.44Å; F1014-T1186 HydrophobicContact CZ-CG2 3.83Å; F1014-T1186 WeakPolarHBondContact CZ-OG1 3.46Å; Q1182-T1186 PolarHBondContact NE2-O 2.91Å; Q1182-T1186 PolarHBondContact OE1-O 3.21Å; S1184-T1186 WeakPolarHBondContact CB-OG1 2.94Å; S1184-T1186 PolarHBondContact O-N 2.8Å; S1184-T1186 VanDerWaalsContact OG-CB 3.31Å; S1184-T1186 WeakPolarHBondContact OG-CB 3.46Å; S1184-T1186 PolarHBondContact OG-N 3.31Å; S1184-T1186 VanDerWaalsContact OG-N 3.13Å; S1184-T1186 PolarHBondContact OG-OG1 2.83Å; T1186-Y1208 WeakPolarHBondContact O-CE1 3.46Å
1187T90.8Very high85Confident11 Ų1132.2 Ų32.27%0.06718%0.18CC..  trans-119.2127.7172.353.80000110.6V952 N953 V971 T973 H1185 R1189V952-T1187 WeakPolarHBondContact CA-O 3.35Å; N953-T1187 WeakPolarHBondContact CB-OG1 3.41Å; N953-T1187 PolarHBondContact N-O 2.71Å; N953-T1187 PolarHBondContact ND2-OG1 2.81Å; N953-T1187 VanDerWaalsContact ND2-OG1 3.1Å; N953-T1187 PolarHBondContact OD1-N 2.75Å; N953-T1187 PolarHBondContact OD1-O 3.16Å; N953-T1187 PolarHBondContact OD1-OG1 3.41Å; V971-T1187 HydrophobicContact CG1-CG2 3.87Å; T973-T1187 WeakPolarHBondContact CG2-OG1 3.43Å; H1185-T1187 PolarHBondContact O-N 3.03Å; T1187-R1189 PolarHBondContact O-N 3.41Å
1188V92.4Very high84Confident0 Ų031.8 Ų31.80%018%0.183CC..EExtended strand (participates in β ladder)trans-75.9114.5166.9-166.30000107.1V911 L936 L950 I969 V1191 V1206 Y1208V911-V1188 HydrophobicContact CG1-CG2 4.01Å; L936-V1188 HydrophobicContact CD2-CG2 4.07Å; L950-V1188 HydrophobicContact CD1-CG1 3.57Å; I969-V1188 HydrophobicContact CD1-CB 4.11Å; I969-V1188 HydrophobicContact CD1-CG1 3.58Å; V1188-V1191 HydrophobicContact CG1-CG2 4.37Å; V1188-V1206 HydrophobicContact CB-CG1 4.18Å; V1188-V1206 HydrophobicContact CG2-CG1 3.97Å; V1188-Y1208 HydrophobicContact CG2-CE1 4.48Å; V1188-Y1208 PolarHBondContact N-OH 2.79Å
1189R91.3Very high83.3Confident61 Ų6140.3 Ų40.323%0.2323%0.228CC..EExtended strand (participates in β ladder)trans-93.8-32.8-174.3-51.1-160.576.3-130.3-1.6112.3G951 N953 E961 I969 T973 T1187G951-R1189 PolarHBondContact O-N 3.17Å; N953-R1189 HydrophobicContact CB-CG 4.16Å; E961-R1189 WeakPolarHBondContact OE2-CD 3.16Å; E961-R1189 IonicContact OE2-CZ 3.23Å; E961-R1189 IonicContact OE2-NE 2.75Å; E961-R1189 IonicContact OE2-NH1 2.78Å; E961-R1189 PolarHBondContact OE2-NH1 3.09Å; I969-R1189 PolarHBondContact N-O 2.75Å; T973-R1189 PolarHBondContact OG1-NE 2.77Å; T973-R1189 PolarHBondContact OG1-NH2 2.75Å; T973-R1189 VanDerWaalsContact OG1-NH2 3.12Å; T1187-R1189 PolarHBondContact O-N 3.41Å
1190S92.9Very high83Confident5 Ų546.4 Ų46.44%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-155.5152.3-178.153.70000113.5G951 E961 D967G951-S1190 WeakPolarHBondContact CA-OG 3.42Å; G951-S1190 PolarHBondContact N-O 3.24Å; G951-S1190 PolarHBondContact O-N 3.03Å; E961-S1190 WeakPolarHBondContact OE1-CB 3.38Å; E961-S1190 PolarHBondContact OE1-OG 2.68Å; D967-S1190 CarbonylContact O-C 3.54Å; D967-S1190 WeakPolarHBondContact O-CA 3.14Å; D967-S1190 VanDerWaalsContact O-CB 3.24Å; D967-S1190 WeakPolarHBondContact O-CB 3.34Å
1191V94.4Very high83.3Confident1 Ų148.1 Ų48.11%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-136.6105.1166.9172.20000105.7V909 V911 I948 L950 D967 I969 V1188 V1193 K1204V909-V1191 HydrophobicContact CG1-CG1 4.15Å; V911-V1191 HydrophobicContact CG2-CG2 4.04Å; I948-V1191 HydrophobicContact CG2-CG1 4.17Å; L950-V1191 HydrophobicContact CD1-CG2 3.7Å; D967-V1191 WeakPolarHBondContact CA-O 3.34Å; D967-V1191 WeakPolarHBondContact CB-O 3.15Å; D967-V1191 PolarHBondContact O-N 3.1Å; I969-V1191 HydrophobicContact CD1-CG2 3.95Å; V1188-V1191 HydrophobicContact CG1-CG2 4.37Å; V1191-V1193 HydrophobicContact CG1-CG2 4.45Å; V1191-K1204 HydrophobicContact CB-CD 4.36Å; V1191-K1204 WeakPolarHBondContact O-CE 3.18Å; V1191-K1204 PolarHBondContact O-NZ 3.05Å
1192S92.9Very high84.3Confident11 Ų1148.5 Ų48.58%0.07726%0.264CS..EExtended strand (participates in β ladder)trans-94.4143.4169.876.80000109.8I948 E949I948-S1192 WeakPolarHBondContact CA-O 3.34Å; I948-S1192 WeakPolarHBondContact CG2-O 3.39Å; E949-S1192 VanDerWaalsContact CB-OG 3.27Å; E949-S1192 WeakPolarHBondContact CB-OG 3.06Å; E949-S1192 WeakPolarHBondContact CG-OG 3.28Å; E949-S1192 PolarHBondContact N-O 2.92Å; E949-S1192 VanDerWaalsContact N-O 3.08Å; E949-S1192 PolarHBondContact O-N 2.94Å; E949-S1192 PolarHBondContact OE2-OG 3.46Å
1193V92.2Very high85.3Confident23 Ų2348 Ų4814%0.13926%0.261CS..EExtended strand (participates in β ladder)trans-120.1124.3174.8-175.30000106.9L942 P946 I948 V1191 P1202L942-V1193 HydrophobicContact CD1-CG1 4.13Å; P946-V1193 HydrophobicContact CB-CG1 3.75Å; I948-V1193 HydrophobicContact CG1-CG2 4.38Å; V1191-V1193 HydrophobicContact CG1-CG2 4.45Å; V1193-P1202 HydrophobicContact CG2-CG 3.94Å
1194Q88Confident86Confident72 Ų7248 Ų4834%0.33626%0.26SS..EExtended strand (participates in β ladder)trans-116.3153.9-179.8-60.7175.910.200108.1P946 T947 E949 S1196P946-Q1194 CarbonylContact C-O 3.59Å; P946-Q1194 VanDerWaalsContact CA-O 3.23Å; P946-Q1194 WeakPolarHBondContact CA-O 3.4Å; P946-Q1194 WeakPolarHBondContact CB-O 3.4Å; T947-Q1194 PolarHBondContact N-O 2.84Å; T947-Q1194 WeakPolarHBondContact O-CB 3.19Å; T947-Q1194 PolarHBondContact O-N 2.93Å; E949-Q1194 PolarHBondContact OE1-NE2 2.96Å; E949-Q1194 PolarHBondContact OE2-NE2 2.91Å; Q1194-S1196 PolarHBondContact O-N 3.05Å
1195D82.2Confident86.4Confident117 Ų11748.3 Ų48.363%0.62626%0.26SS*.EExtended strand (participates in β ladder)trans56.631.5176.4-43.9-42.3000114.5
1196S79.1Confident86.8Confident42 Ų4249 Ų4929%0.29427%0.266SS..EExtended strand (participates in β ladder)trans-88132.2171.554.80000111.4Q1194 G1198Q1194-S1196 PolarHBondContact O-N 3.05Å; S1196-G1198 PolarHBondContact O-N 3.36Å
1197D75.9Confident86.9Confident125 Ų12551.8 Ų51.867%0.66828%0.277SS*.  trans-772.3176.2-61.4-61.1000113.9T943 G944T943-D1197 HydrophobicContact CG2-CB 4.2Å; G944-D1197 WeakPolarHBondContact CA-OD2 3.45Å
1198G72.6Confident86.9Confident27 Ų2752.9 Ų52.928%0.27828%0.28SS..  trans-81135.3-176.400000114.8S1196 E1200S1196-G1198 PolarHBondContact O-N 3.36Å; G1198-E1200 PolarHBondContact O-N 3.14Å
1199D74.2Confident86.9Confident180 Ų18054.9 Ų54.996%0.96329%0.291SS*.SBendtrans-68.9-26.3177.2-77.5-45.5000114.1
1200E80.4Confident86.9Confident157 Ų15752 Ų5273%0.73428%0.28SS*.SBendtrans-118143.1-179.8-69.3-164.2178.700111.3G1198G1198-E1200 PolarHBondContact O-N 3.14Å
1201P83.8Confident86.9Confident84 Ų8456 Ų5655%0.54529%0.294SS..PPolyproline II helixtrans-69.2138.1177.329-34.4000111.4
1202P89.4Confident86.8Confident14 Ų1456.2 Ų56.29%0.09130%0.295CS..PPolyproline II helixtrans-61.8149.9-173.220.2-32.3000114.1E907 V909 L942 V1193 K1204E907-P1202 HydrophobicContact CB-CB 3.79Å; E907-P1202 CarbonylContact O-C 3.54Å; E907-P1202 WeakPolarHBondContact O-CA 3.13Å; V909-P1202 HydrophobicContact CG2-CB 4.5Å; L942-P1202 HydrophobicContact CD2-CB 3.71Å; L942-P1202 HydrophobicContact CD2-CG 3.79Å; V1193-P1202 HydrophobicContact CG2-CG 3.94Å; P1202-K1204 PolarHBondContact O-N 2.83Å
1203E88.2Confident86.8Confident27 Ų2759 Ų5913%0.12631%0.307CS..EExtended strand (participates in β ladder)trans-67.6125.1170.2-68.5-150.8128.600109.8R162 R817 E907 E908 V909 Y1205R162-E1203 IonicContact CZ-OE1 2.75Å; R162-E1203 IonicContact NE-OE1 2.65Å; R162-E1203 IonicContact NH1-OE1 2.77Å; R162-E1203 PolarHBondContact NH1-OE1 3.32Å; R817-E1203 IonicContact CZ-OE2 2.66Å; R817-E1203 VanDerWaalsContact CZ-OE2 3.26Å; R817-E1203 IonicContact NH1-OE1 3.5Å; R817-E1203 IonicContact NH1-OE2 2.71Å; R817-E1203 PolarHBondContact NH1-OE2 2.84Å; R817-E1203 IonicContact NH2-OE2 3.86Å; R817-E1203 PolarHBondContact NH2-OE2 3.22Å; E907-E1203 PolarHBondContact O-N 2.78Å; E908-E1203 CarbonylContact C-O 3.59Å; E908-E1203 WeakPolarHBondContact CA-O 3.32Å; E908-E1203 HydrophobicContact CB-CB 4.28Å; E908-E1203 WeakPolarHBondContact CB-O 3.39Å; V909-E1203 PolarHBondContact N-O 3.39Å; E1203-Y1205 HydrophobicContact CB-CD2 4.43Å; E1203-Y1205 HydrophobicContact CB-CE2 3.72Å; E1203-Y1205 PolarHBondContact OE2-OH 3.08Å
1204K91.1Very high86.9Confident15 Ų1558.2 Ų58.27%0.06530%0.301CS..EExtended strand (participates in β ladder)trans-107.3125.7-173.8-68.5163.7-167.8-176.60110.4M161 H966 D967 V1191 P1202M161-K1204 WeakPolarHBondContact CG-O 3.41Å; H966-K1204 PolarHBondContact O-NZ 2.82Å; D967-K1204 IonicContact OD1-NZ 3.45Å; D967-K1204 PolarHBondContact OD1-NZ 3.02Å; V1191-K1204 HydrophobicContact CB-CD 4.36Å; V1191-K1204 WeakPolarHBondContact O-CE 3.18Å; V1191-K1204 PolarHBondContact O-NZ 3.05Å; P1202-K1204 PolarHBondContact O-N 2.83Å
1205Y90.2Very high87.2Confident16 Ų1657.5 Ų57.56%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-121.4135.6-176.6-69.4-94.9000110.4P158 V159 R817 E908 V909 Q910 V911 E1203P158-Y1205 HydrophobicContact CB-CD1 3.31Å; P158-Y1205 HydrophobicContact CB-CE1 3.81Å; P158-Y1205 HydrophobicContact CB-CG 3.92Å; P158-Y1205 WeakPolarHBondContact O-CE1 3.46Å; V159-Y1205 VanDerWaalsContact O-CD1 3.31Å; V159-Y1205 WeakPolarHBondContact O-CD1 3.05Å; R817-Y1205 PolarHBondContact NH2-OH 3.26Å; E908-Y1205 HydrophobicContact CB-CD2 4.46Å; E908-Y1205 HydrophobicContact CB-CE2 4.27Å; V909-Y1205 PolarHBondContact O-N 2.81Å; Q910-Y1205 HydrophobicContact CG-CD2 4.48Å; V911-Y1205 PolarHBondContact N-O 2.98Å; E1203-Y1205 HydrophobicContact CB-CD2 4.43Å; E1203-Y1205 HydrophobicContact CB-CE2 3.72Å; E1203-Y1205 PolarHBondContact OE2-OH 3.08Å
1206V91.8Very high87.9Confident41 Ų4152 Ų5225%0.24827%0.268CS..EExtended strand (participates in β ladder)trans-132.2129.9177.7-170.40000111V911 I969 V1188 Y1208V911-V1206 CarbonylContact O-C 3.58Å; V911-V1206 VanDerWaalsContact O-CA 3.31Å; V911-V1206 WeakPolarHBondContact O-CA 3.41Å; I969-V1206 HydrophobicContact CD1-CG2 3.8Å; I969-V1206 HydrophobicContact CG1-CG2 4.33Å; I969-V1206 HydrophobicContact CG2-CG2 4.25Å; V1188-V1206 HydrophobicContact CB-CG1 4.18Å; V1188-V1206 HydrophobicContact CG2-CG1 3.97Å; V1206-Y1208 HydrophobicContact CB-CE2 4.5Å; V1206-Y1208 HydrophobicContact CG1-CD2 4.38Å; V1206-Y1208 HydrophobicContact CG1-CE1 4.29Å; V1206-Y1208 HydrophobicContact CG1-CE2 3.62Å
1207R91Very high88.6Confident58 Ų5850.2 Ų50.222%0.21926%0.256CS..EExtended strand (participates in β ladder)trans-115142.5174.1176.8173.6-50.8-58.4-17.7110.9P156 S157 P158 V911 T912 A913P156-R1207 PolarHBondContact O-NH1 2.98Å; P156-R1207 PolarHBondContact O-NH2 2.62Å; S157-R1207 PolarHBondContact O-NH2 2.65Å; P158-R1207 VanDerWaalsContact CA-NH2 3.32Å; P158-R1207 VanDerWaalsContact N-NH2 3.17Å; V911-R1207 PolarHBondContact O-N 2.77Å; T912-R1207 HydrophobicContact CG2-CB 4.04Å; T912-R1207 HydrophobicContact CG2-CG 3.95Å; A913-R1207 PolarHBondContact N-O 2.89Å
1208Y91.5Very high89.5Confident35 Ų3544.8 Ų44.814%0.13723%0.226CC..EExtended strand (participates in β ladder)trans-122.9135.9167.4-57.8-81.6000109.2A913 A1180 Q1182 T1186 V1188 V1206A913-Y1208 HydrophobicContact CB-CD1 3.7Å; A913-Y1208 HydrophobicContact CB-CE1 4Å; A913-Y1208 WeakPolarHBondContact O-CA 3.29Å; A1180-Y1208 WeakPolarHBondContact CA-O 3.5Å; A1180-Y1208 PolarHBondContact N-O 3.19Å; Q1182-Y1208 HydrophobicContact CG-CD1 3.97Å; Q1182-Y1208 HydrophobicContact CG-CG 4.24Å; T1186-Y1208 WeakPolarHBondContact O-CE1 3.46Å; V1188-Y1208 HydrophobicContact CG2-CE1 4.48Å; V1188-Y1208 PolarHBondContact N-OH 2.79Å; V1206-Y1208 HydrophobicContact CB-CE2 4.5Å; V1206-Y1208 HydrophobicContact CG1-CD2 4.38Å; V1206-Y1208 HydrophobicContact CG1-CE1 4.29Å; V1206-Y1208 HydrophobicContact CG1-CE2 3.62Å
1209L91.4Very high90.5Very high42 Ų4246.1 Ų46.122%0.2223%0.225CC..EExtended strand (participates in β ladder)trans-145.3136.9178.4177.566.5000108.6A913 V914 D915A913-L1209 PolarHBondContact O-N 2.81Å; V914-L1209 CarbonylContact C-O 3.54Å; V914-L1209 WeakPolarHBondContact CA-O 3.42Å; D915-L1209 PolarHBondContact N-O 2.85Å
1210A92Very high91.3Very high0 Ų040.5 Ų40.50%020%0.198CC..EExtended strand (participates in β ladder)trans-116.5123.3169.100000110.8D915 I917 T1177 M1178 T1181 V1183D915-A1210 HydrophobicContact CB-CB 4.03Å; D915-A1210 CarbonylContact O-C 3.57Å; D915-A1210 WeakPolarHBondContact O-CA 3.43Å; I917-A1210 HydrophobicContact CD1-CB 3.93Å; T1177-A1210 CarbonylContact C-O 3.55Å; T1177-A1210 WeakPolarHBondContact CA-O 3.42Å; M1178-A1210 HydrophobicContact CB-CB 4.43Å; M1178-A1210 PolarHBondContact N-O 2.86Å; M1178-A1210 PolarHBondContact O-N 2.94Å; M1178-A1210 VanDerWaalsContact O-N 3.07Å; T1181-A1210 HydrophobicContact CG2-CB 3.53Å; V1183-A1210 HydrophobicContact CG2-CB 4.33Å
1211R92.2Very high91.7Very high90 Ų9035.4 Ų35.434%0.3418%0.177SC..EExtended strand (participates in β ladder)trans-98.4126.1171-74.2177166.2167.1-6.7108.6E788 D915 I917 T1177E788-R1211 IonicContact OE1-CZ 2.93Å; E788-R1211 IonicContact OE1-NH2 2.77Å; E788-R1211 PolarHBondContact OE1-NH2 3.12Å; D915-R1211 PolarHBondContact O-N 3.35Å; I917-R1211 PolarHBondContact N-O 3.46Å; T1177-R1211 HydrophobicContact CG2-CG 4.35Å
1212H92.5Very high91.7Very high4 Ų438.2 Ų38.22%0.01918%0.183CC..EExtended strand (participates in β ladder)trans-117.4129.1-176.8-67.986.2000110.7E1175 F1176 M1178 Y1214E1175-H1212 WeakPolarHBondContact CA-O 3.47Å; F1176-H1212 HydrophobicContact CD1-CB 3.74Å; F1176-H1212 HydrophobicContact CD2-CB 4.06Å; F1176-H1212 AromaticContact CD2-ND1 3.97Å; F1176-H1212 HydrophobicContact CE1-CB 3.41Å; F1176-H1212 VanDerWaalsContact CE1-CB 3.41Å; F1176-H1212 HydrophobicContact CE2-CB 3.75Å; F1176-H1212 AromaticContact CE2-CG 3.58Å; F1176-H1212 AromaticContact CE2-ND1 3.51Å; F1176-H1212 HydrophobicContact CG-CB 4.07Å; F1176-H1212 HydrophobicContact CZ-CB 3.43Å; F1176-H1212 VanDerWaalsContact CZ-CB 3.43Å; F1176-H1212 AromaticContact CZ-CD2 3.86Å; F1176-H1212 AromaticContact CZ-CG 3.51Å; F1176-H1212 AromaticContact CZ-ND1 3.95Å; F1176-H1212 PolarHBondContact N-O 3.2Å; F1176-H1212 VanDerWaalsContact N-O 3.14Å; F1176-H1212 PolarHBondContact O-N 2.86Å; M1178-H1212 VanDerWaalsContact SD-CE1 3.56Å; H1212-Y1214 HydrophobicContact CB-CE1 4.02Å; H1212-Y1214 AromaticContact CD2-CE1 3.9Å
1213E93.4Very high90.6Very high70 Ų7039.3 Ų39.333%0.32720%0.197SC..EExtended strand (participates in β ladder)trans-124.8111.4174.1-56.7-166.6167.600110K881 I917 T918 V919 V1174 E1175K881-E1213 WeakPolarHBondContact CE-OE1 3.46Å; K881-E1213 IonicContact NZ-OE1 3.7Å; K881-E1213 PolarHBondContact NZ-OE1 2.93Å; K881-E1213 IonicContact NZ-OE2 3.58Å; K881-E1213 PolarHBondContact NZ-OE2 3.28Å; I917-E1213 PolarHBondContact O-N 3.26Å; T918-E1213 VanDerWaalsContact CA-O 3.27Å; T918-E1213 WeakPolarHBondContact CA-O 3.13Å; T918-E1213 HydrophobicContact CG2-CB 4.36Å; T918-E1213 WeakPolarHBondContact CG2-O 3.16Å; V919-E1213 PolarHBondContact N-O 3.04Å; V1174-E1213 CarbonylContact O-C 3.4Å; V1174-E1213 WeakPolarHBondContact O-CA 3.23Å; E1175-E1213 HydrophobicContact CG-CG 4.39Å
1214Y94.4Very high89.2Confident6 Ų646 Ų462%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-109.9139178.1-52.2-18.8000111.7V919 L1024 P1025 L1026 F1173 V1174 F1176 H1212V919-Y1214 HydrophobicContact CB-CD1 3.53Å; V919-Y1214 HydrophobicContact CB-CE1 3.88Å; V919-Y1214 HydrophobicContact CB-CG 4.19Å; V919-Y1214 HydrophobicContact CG2-CD1 3.59Å; V919-Y1214 HydrophobicContact CG2-CE1 3.4Å; V919-Y1214 CarbonylContact O-C 3.59Å; V919-Y1214 WeakPolarHBondContact O-CA 3.28Å; L1024-Y1214 HydrophobicContact CD1-CE2 4.44Å; P1025-Y1214 WeakPolarHBondContact CD-OH 3.49Å; L1026-Y1214 HydrophobicContact CB-CE2 4.44Å; L1026-Y1214 WeakPolarHBondContact O-CE2 3.32Å; F1173-Y1214 CarbonylContact C-O 3.44Å; F1173-Y1214 WeakPolarHBondContact CA-O 3.48Å; V1174-Y1214 HydrophobicContact CB-CD2 4.47Å; V1174-Y1214 PolarHBondContact N-O 3.19Å; V1174-Y1214 PolarHBondContact O-N 3.1Å; F1176-Y1214 HydrophobicContact CE1-CD2 4.07Å; F1176-Y1214 HydrophobicContact CE1-CE1 4.25Å; F1176-Y1214 AromaticContact CE1-CE2 3.61Å; F1176-Y1214 HydrophobicContact CE1-CE2 3.61Å; F1176-Y1214 AromaticContact CE1-CZ 3.72Å; F1176-Y1214 HydrophobicContact CZ-CE1 4.41Å; F1176-Y1214 AromaticContact CZ-CE2 3.87Å; F1176-Y1214 HydrophobicContact CZ-CE2 3.87Å; F1176-Y1214 AromaticContact CZ-CZ 3.69Å; H1212-Y1214 HydrophobicContact CB-CE1 4.02Å; H1212-Y1214 AromaticContact CD2-CE1 3.9Å
1215K94.6Very high87.3Confident58 Ų5849.4 Ų49.425%0.25225%0.254SS..EExtended strand (participates in β ladder)trans-111109.1166.8178.3-172.4172.8-168.80107.5V919 E920 Q921 Y1171 F1173V919-K1215 PolarHBondContact O-N 2.78Å; E920-K1215 WeakPolarHBondContact CA-O 3.31Å; E920-K1215 HydrophobicContact CG-CB 4.36Å; Q921-K1215 PolarHBondContact N-O 2.75Å; Y1171-K1215 HydrophobicContact CD1-CD 4.37Å; Y1171-K1215 HydrophobicContact CD1-CG 3.88Å; Y1171-K1215 HydrophobicContact CG-CD 4.31Å; Y1171-K1215 VanDerWaalsContact CG-CE 3.44Å; Y1171-K1215 HydrophobicContact CG-CG 3.88Å; F1173-K1215 HydrophobicContact CD1-CG 4.5Å; F1173-K1215 HydrophobicContact CE1-CG 4.13Å
1216V95.6Very high85.2Confident1 Ų152.9 Ų52.91%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-115.5127.3-169-175.30000109.8Q921 L1028 Y1171 A1172 V1174Q921-V1216 HydrophobicContact CB-CG1 4.46Å; Q921-V1216 HydrophobicContact CB-CG2 4.34Å; Q921-V1216 CarbonylContact O-C 3.58Å; Q921-V1216 WeakPolarHBondContact O-CA 3.39Å; L1028-V1216 HydrophobicContact CB-CG1 4.34Å; L1028-V1216 HydrophobicContact CB-CG2 4.41Å; L1028-V1216 HydrophobicContact CD2-CB 4.2Å; L1028-V1216 HydrophobicContact CD2-CG1 4.35Å; L1028-V1216 HydrophobicContact CD2-CG2 4.26Å; L1028-V1216 HydrophobicContact CG-CG1 4.33Å; L1028-V1216 WeakPolarHBondContact O-CG1 3.34Å; Y1171-V1216 CarbonylContact C-O 3.51Å; Y1171-V1216 VanDerWaalsContact CA-O 3.26Å; Y1171-V1216 WeakPolarHBondContact CA-O 3.27Å; A1172-V1216 PolarHBondContact N-O 3.09Å; A1172-V1216 PolarHBondContact O-N 3.48Å; V1174-V1216 HydrophobicContact CG2-CG2 4.19Å
1217G95Very high83.4Confident4 Ų455.5 Ų55.54%0.04129%0.289CS..EExtended strand (participates in β ladder)trans-61.1141.1177.600000112.8Q921 P1170Q921-G1217 PolarHBondContact O-N 3.49Å; P1170-G1217 WeakPolarHBondContact O-CA 3.28Å
1218I95.3Very high81.9Confident11 Ų1156.5 Ų56.56%0.05631%0.31CS..EExtended strand (participates in β ladder)trans-105.4115.3173.7-48.3-174.9000109.2A1030 W1032 F1067 P1170 A1172 T1220A1030-I1218 HydrophobicContact CB-CB 4.42Å; A1030-I1218 HydrophobicContact CB-CG1 4.09Å; A1030-I1218 HydrophobicContact CB-CG2 3.99Å; A1030-I1218 WeakPolarHBondContact O-CA 3.36Å; W1032-I1218 HydrophobicContact CG-CG2 4.06Å; F1067-I1218 HydrophobicContact CD1-CD1 4.25Å; P1170-I1218 PolarHBondContact O-N 3.28Å; A1172-I1218 HydrophobicContact CB-CD1 4.03Å; A1172-I1218 HydrophobicContact CB-CG1 4.18Å; I1218-T1220 PolarHBondContact O-N 3.45Å
1219E93.8Very high80.5Confident55 Ų5563.5 Ų63.526%0.25734%0.338SS..EExtended strand (participates in β ladder)trans-61126.4174.1-179.1-177.7-162.300109.4F923 K1029 A1030 T1031 W1032 T1221F923-E1219 HydrophobicContact CB-CB 4.05Å; F923-E1219 HydrophobicContact CD2-CB 4.07Å; F923-E1219 HydrophobicContact CD2-CG 4.19Å; F923-E1219 HydrophobicContact CG-CB 4.34Å; K1029-E1219 WeakPolarHBondContact CE-OE2 3.37Å; K1029-E1219 IonicContact NZ-OE1 2.67Å; K1029-E1219 IonicContact NZ-OE2 2.8Å; K1029-E1219 PolarHBondContact NZ-OE2 3.23Å; A1030-E1219 PolarHBondContact O-N 3.27Å; T1031-E1219 CarbonylContact C-O 3.55Å; T1031-E1219 WeakPolarHBondContact CA-O 3.38Å; T1031-E1219 HydrophobicContact CG2-CB 4.01Å; T1031-E1219 HydrophobicContact CG2-CG 4Å; T1031-E1219 PolarHBondContact OG1-OE2 2.8Å; W1032-E1219 PolarHBondContact N-O 2.89Å; E1219-T1221 HydrophobicContact CG-CG2 4.05Å
1220T90.8Very high78.9Confident62 Ų6266.8 Ų66.838%0.3836%0.355SS..EExtended strand (participates in β ladder)trans-112.9119.6178.8-61.30000110.7W1032 L1168 I1218W1032-T1220 HydrophobicContact CB-CG2 4.26Å; L1168-T1220 HydrophobicContact CD1-CG2 4.43Å; I1218-T1220 PolarHBondContact O-N 3.45Å
1221T87.9Confident77.4Confident50 Ų5069.4 Ų69.431%0.30738%0.377SS..EExtended strand (participates in β ladder)trans-119.6133.1-175.965.80000111.2T1031 W1032 V1034 E1219T1031-T1221 HydrophobicContact CG2-CG2 4.07Å; W1032-T1221 PolarHBondContact O-N 2.85Å; W1032-T1221 PolarHBondContact O-OG1 3.49Å; V1034-T1221 PolarHBondContact N-O 3.3Å; E1219-T1221 HydrophobicContact CG-CG2 4.05Å
1222H82.9Confident76Confident144 Ų14469.2 Ų69.267%0.66739%0.394SS*.EExtended strand (participates in β ladder)trans-109.9102.7176.9-63.9-84.8000109.4V1034V1034-H1222 CarbonylContact O-C 3.54Å; V1034-H1222 WeakPolarHBondContact O-CA 3.45Å
1223G67.7Low74.6Confident37 Ų3773 Ų7338%0.38142%0.417SS..  trans-87.2110.4177.700000111.1V1034 S1035 S1225V1034-G1223 PolarHBondContact O-N 2.82Å; S1035-G1223 WeakPolarHBondContact CA-O 3.49Å; S1035-G1223 WeakPolarHBondContact CB-O 3.45Å; S1035-G1223 PolarHBondContact OG-O 2.66Å; G1223-S1225 PolarHBondContact O-N 2.88Å
1224E57.8Low72.8Confident168 Ų16877.8 Ų77.879%0.78543%0.433SS*.  trans-49.2126.6166.2-81.4-160.7137.900109.6T1226E1224-T1226 PolarHBondContact O-N 3.25Å
1225S51.3Low70.8Confident86 Ų8683.1 Ų83.160%0.60147%0.468SS*.  trans-71.280.4179.360.60000109.9G1223 N1227G1223-S1225 PolarHBondContact O-N 2.88Å; S1225-N1227 PolarHBondContact O-N 3.16Å
1226T47.3Very low68.6Low89 Ų8987.9 Ų87.955%0.54650%0.495SS..  trans-6777.3168.332.80000108.5E1224 A1228E1224-T1226 PolarHBondContact O-N 3.25Å; T1226-A1228 PolarHBondContact O-N 3.39Å; T1226-A1228 VanDerWaalsContact O-N 3.11Å
1227N53.8Low66.2Low95 Ų9598.6 Ų98.651%0.50854%0.535SS..  trans-41.9119.9177.9179.7-20.9000108.5S1225 Y1229 L1230 A1231S1225-N1227 PolarHBondContact O-N 3.16Å; N1227-Y1229 CarbonylContact O-C 3.58Å; N1227-Y1229 PolarHBondContact O-N 3.3Å; N1227-Y1229 PolarHBondContact OD1-N 3.45Å; N1227-L1230 HydrophobicContact CB-CB 4.31Å; N1227-L1230 HydrophobicContact CB-CD1 4.17Å; N1227-L1230 HydrophobicContact CB-CG 4.24Å; N1227-L1230 CarbonylContact O-C 3.55Å; N1227-L1230 WeakPolarHBondContact O-CA 3.33Å; N1227-L1230 WeakPolarHBondContact O-CB 3.21Å; N1227-L1230 PolarHBondContact O-N 3.11Å; N1227-A1231 PolarHBondContact O-N 2.94Å
1228A59.9Low63.6Low80 Ų80106.6 Ų106.666%0.66157%0.571SS**Hα-helixtrans-55.5-28.9-169.300000112.3T1226 A1232T1226-A1228 PolarHBondContact O-N 3.39Å; T1226-A1228 VanDerWaalsContact O-N 3.11Å; A1228-A1232 VanDerWaalsContact O-CB 3.29Å; A1228-A1232 WeakPolarHBondContact O-CB 3.5Å; A1228-A1232 PolarHBondContact O-N 3.41Å
1229Y60.2Low61Low182 Ų182114.1 Ų114.171%0.71461%0.606SS**Hα-helixtrans-65.2-45.6171.4-127.7-85.9000112.8N1227 A1232 T1233N1227-Y1229 CarbonylContact O-C 3.58Å; N1227-Y1229 PolarHBondContact O-N 3.3Å; N1227-Y1229 PolarHBondContact OD1-N 3.45Å; Y1229-A1232 PolarHBondContact O-N 3.2Å; Y1229-T1233 HydrophobicContact CD1-CG2 3.98Å; Y1229-T1233 HydrophobicContact CE1-CG2 4.25Å; Y1229-T1233 VanDerWaalsContact O-CB 3.29Å; Y1229-T1233 WeakPolarHBondContact O-CB 3.24Å; Y1229-T1233 VanDerWaalsContact O-CG2 3.3Å; Y1229-T1233 WeakPolarHBondContact O-CG2 3.12Å; Y1229-T1233 PolarHBondContact O-N 2.93Å; Y1229-T1233 PolarHBondContact O-OG1 3.08Å
1230L58.4Low58.6Low110 Ų110116.7 Ų116.758%0.57663%0.628SS**Hα-helixtrans-69.6-32.9175.3-68.2178000112.3N1227 R1234N1227-L1230 HydrophobicContact CB-CB 4.31Å; N1227-L1230 HydrophobicContact CB-CD1 4.17Å; N1227-L1230 HydrophobicContact CB-CG 4.24Å; N1227-L1230 CarbonylContact O-C 3.55Å; N1227-L1230 WeakPolarHBondContact O-CA 3.33Å; N1227-L1230 WeakPolarHBondContact O-CB 3.21Å; N1227-L1230 PolarHBondContact O-N 3.11Å; L1230-R1234 WeakPolarHBondContact O-CG 3.47Å; L1230-R1234 PolarHBondContact O-N 3.18Å
1231A60.9Low56.2Low56 Ų56119.4 Ų119.446%0.46365%0.647SS.*Hα-helixtrans-65.2-42.9173.100000111.4N1227N1227-A1231 PolarHBondContact O-N 2.94Å
1232A61.6Low53.8Low85 Ų85123.7 Ų123.770%0.70267%0.673SS**Hα-helixtrans-78.5-24.2178.500000114.6A1228 Y1229A1228-A1232 VanDerWaalsContact O-CB 3.29Å; A1228-A1232 WeakPolarHBondContact O-CB 3.5Å; A1228-A1232 PolarHBondContact O-N 3.41Å; Y1229-A1232 PolarHBondContact O-N 3.2Å
1233T64.1Low51.6Low83 Ų83122.6 Ų122.651%0.50968%0.676SS.*Hα-helixtrans-100.31.1178.959.40000114.3Y1229 P1235Y1229-T1233 HydrophobicContact CD1-CG2 3.98Å; Y1229-T1233 HydrophobicContact CE1-CG2 4.25Å; Y1229-T1233 VanDerWaalsContact O-CB 3.29Å; Y1229-T1233 WeakPolarHBondContact O-CB 3.24Å; Y1229-T1233 VanDerWaalsContact O-CG2 3.3Å; Y1229-T1233 WeakPolarHBondContact O-CG2 3.12Å; Y1229-T1233 PolarHBondContact O-N 2.93Å; Y1229-T1233 PolarHBondContact O-OG1 3.08Å; T1233-P1235 WeakPolarHBondContact O-CD 3.49Å; T1233-P1235 VanDerWaalsContact O-N 3.14Å
1234R55.5Low50Low171 Ų171125.7 Ų125.765%0.64570%0.698SS**SBendtrans-56.2117161.8-90.4170.1-172.5-157.22.7107.8L1230 I1236L1230-R1234 WeakPolarHBondContact O-CG 3.47Å; L1230-R1234 PolarHBondContact O-N 3.18Å; R1234-I1236 PolarHBondContact O-N 3.09Å
1235P52.1Low49.2Very low119 Ų119124.1 Ų124.177%0.77370%0.7SS**  trans-62.7128.6178.325.9-33000108.3T1233 R1237T1233-P1235 WeakPolarHBondContact O-CD 3.49Å; T1233-P1235 VanDerWaalsContact O-N 3.14Å; P1235-R1237 VanDerWaalsContact C-N 3.29Å; P1235-R1237 PolarHBondContact O-N 3.38Å
1236I49.2Very low48.5Very low158 Ų158128.3 Ų128.381%0.8171%0.708SS**  trans-6497.3171.8-60.8172.1000106.6R1234 E1238R1234-I1236 PolarHBondContact O-N 3.09Å; I1236-E1238 VanDerWaalsContact C-N 3.27Å; I1236-E1238 HydrophobicContact CG2-CG 4.39Å; I1236-E1238 PolarHBondContact O-N 3.28Å
1237R43.9Very low47.9Very low225 Ų225130 Ų13085%0.84972%0.72SS**  trans-7293.1165.7-178.8175.3-179.5157.8-1.2106.1P1235 E1239P1235-R1237 VanDerWaalsContact C-N 3.29Å; P1235-R1237 PolarHBondContact O-N 3.38Å; R1237-E1239 PolarHBondContact O-N 3.23Å
1238E42.3Very low47.2Very low172 Ų172131.1 Ų131.180%0.80473%0.731SS**  trans-52.2111.2166.1-64.3-177.8133.600107.8I1236I1236-E1238 VanDerWaalsContact C-N 3.27Å; I1236-E1238 HydrophobicContact CG2-CG 4.39Å; I1236-E1238 PolarHBondContact O-N 3.28Å
1239E40Very low46.1Very low170 Ų170131.7 Ų131.779%0.79474%0.735SS**  trans-66.1129.3166.3-66.8-159123.500107.3R1237R1237-E1239 PolarHBondContact O-N 3.23Å
1240P44.1Very low45Very low108 Ų108128.5 Ų128.570%0.70174%0.739SS**  trans-62.8131.4-175.126.1-33.8000108.7T1242P1240-T1242 PolarHBondContact O-N 2.97Å
1241P38.5Very low44.1Very low120 Ų120128.8 Ų128.878%0.77975%0.748SS**  trans-61.1110.2-175.723.9-33.7000109.7T1243P1241-T1243 PolarHBondContact O-N 3.09Å
1242T37.8Very low43.2Very low139 Ų139133 Ų13385%0.85377%0.768SS**  trans-57.4111.8177.142.50000108.7P1240 A1244P1240-T1242 PolarHBondContact O-N 2.97Å; T1242-A1244 PolarHBondContact O-N 3.22Å; T1242-A1244 VanDerWaalsContact O-N 3.13Å
1243T38.2Very low42.2Very low122 Ų122132.9 Ų132.975%0.74877%0.766SS**  trans-61.8114.7-162.7490000112P1241 T1245P1241-T1243 PolarHBondContact O-N 3.09Å; T1243-T1245 PolarHBondContact O-N 3.22Å
1244A33.2Very low41.3Very low102 Ų102134.6 Ų134.684%0.84378%0.779SS**  trans-63.398.6177.600000111.6T1242 K1246T1242-A1244 PolarHBondContact O-N 3.22Å; T1242-A1244 VanDerWaalsContact O-N 3.13Å; A1244-K1246 PolarHBondContact O-N 3.4Å
1245T40.7Very low40.6Very low134 Ų134130.9 Ų130.982%0.82278%0.779SS**  trans-74.197.417446.60000110.3T1243T1243-T1245 PolarHBondContact O-N 3.22Å
1246K37.1Very low40Very low175 Ų175131.9 Ų131.976%0.76178%0.778SS**  trans-36133.6175.6-178-177.1-178.6-179.20114.6A1244A1244-K1246 PolarHBondContact O-N 3.4Å
1247P34Very low40.2Very low123 Ų123130.3 Ų130.380%0.79978%0.781SS**  trans-70.7133.8174.430-34.7000111.2
1248T38.8Very low40.1Very low120 Ų120127.2 Ų127.274%0.73678%0.781SS**  trans-153.8138.5171.1-63.50000111
1249A37.8Very low40.6Very low92 Ų92126 Ų12676%0.7679%0.786SS**  trans-31.5149-17400000120.6
1250S37Very low40.4Very low114 Ų114125.1 Ų125.180%0.79779%0.787SS**  trans-53.1154.2167-30.70000113.4
1251P39.9Very low40.4Very low116 Ų116125.4 Ų125.475%0.75379%0.791SS**  -153.815092.237.4-18.9000118.6
1252V41.1Very low40.8Very low146 Ų146131.1 Ų131.189%0.88582%0.815SS**  trans71.6142.6148.2174.80000119.7
1253A40.4Very low40.9Very low81 Ų81130.8 Ų130.867%0.66981%0.814SS**  trans-103173.6-175.500000114.1
1254P45.3Very low41.1Very low119 Ų119131.2 Ų131.277%0.77382%0.817SS**  -128.7150.697.131.7-18.6000112.5
1255S40.8Very low41.5Very low93 Ų93132.8 Ų132.865%0.6582%0.816SS**  59.712868.6-81.80000114.4
1256D40.7Very low41.6Very low141 Ų141132.8 Ų132.875%0.75482%0.815SS**  cis-153.5155.8-5.6-68.7-49.6000109.2
1257S52.3Low41.8Very low125 Ų125130.1 Ų130.187%0.87482%0.819SS**  trans176.983.8143.2-78.30000112.6
1258D41.4Very low42.4Very low159 Ų159130.6 Ų130.685%0.8582%0.82SS**  trans-83.2151.6156-64.7-55.6000109.7
1259T54.2Low42.6Very low147 Ų147131.4 Ų131.490%0.90283%0.826SS**  trans-155.195.1148.3-620000109.2
1260D36Very low43Very low152 Ų152134.4 Ų134.481%0.81383%0.831SS**  trans-83.5161.4161-123.9-30.2000110.3
1261S42.5Very low43.5Very low114 Ų114136.1 Ų136.180%0.79783%0.834SS**  trans122.390.4161-55.20000115.7
1262N47.4Very low43.8Very low240 Ų240137.9 Ų137.9100%1.28384%0.841SS**  -165.80113.7-150.548.8000111.9

Retrieved 1,262 of 1,262 residues in 398.1 ms (Link to these results)