A0A087XG92_POEFO Loading...

ELAV-like protein

AlphaFold DB (A0A3B5QIN0), UniProt , Accession A0A087XG92, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 457 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.5Very low42.8Very low236 Ų236139.5 Ų139.5100%1.16373%0.729SS**  087.40-69.8-169.5-75.600109.8
2F41.7Very low42.7Very low201 Ų201137.3 Ų137.388%0.88272%0.717SS**  trans-151.111.1174.3-120-76.9000115.8
3E41.9Very low42.8Very low180 Ų180137 Ų13784%0.84172%0.716SS**SBendtrans-121.43.4-166.3-150.2149.9-146.500114.1
4I42.7Very low43Very low137 Ų137133.4 Ų133.470%0.70371%0.708SS**SBendtrans-97.5-24.1-179.9-64173.2000111.8R6I4-R6 VanDerWaalsContact C-N 3.35Å; I4-R6 PolarHBondContact O-N 2.97Å
5S42.4Very low42.8Very low90 Ų90130.7 Ų130.763%0.62969%0.694SS**Hα-helixtrans-77.7-8.6-172.3-48.90000115.6
6R46.1Very low43.1Very low228 Ų228129.5 Ų129.586%0.8668%0.683SS**Hα-helixtrans-86.8-31-179.3-74.4-171.5174.2-171.4-1.1113.7I4I4-R6 VanDerWaalsContact C-N 3.35Å; I4-R6 PolarHBondContact O-N 2.97Å
7T43.1Very low43.1Very low108 Ų108129.5 Ų129.566%0.66368%0.678SS**Hα-helixtrans-76-30-175.9-2.30000113.3
8L41.5Very low43.2Very low112 Ų112129.4 Ų129.459%0.58668%0.678SS**Hα-helixtrans-70.5-37.1-178.2-89.8158.1000113.9A10 A11 L12L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.27Å; L8-A11 PolarHBondContact O-N 3.17Å; L8-L12 PolarHBondContact O-N 3Å
9N40.1Very low43.1Very low107 Ų107128.7 Ų128.757%0.57267%0.669SS**Hα-helixtrans-68.1-31.6179.5-83.3-10.3000113L12 L13N9-L12 PolarHBondContact O-N 3.28Å; N9-L13 WeakPolarHBondContact O-CD1 3.32Å; N9-L13 PolarHBondContact O-N 3.27Å
10A43.8Very low43.2Very low73 Ų73128.4 Ų128.460%0.60367%0.666SS**Hα-helixtrans-66.3-36.8176.300000112.5L8L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.27Å
11A40.3Very low43.2Very low63 Ų63128.9 Ų128.952%0.52167%0.667SS.*Hα-helixtrans-69.9-33.2178.600000113L8L8-A11 PolarHBondContact O-N 3.17Å
12L41.3Very low42.9Very low112 Ų112121.4 Ų121.459%0.58664%0.642SS**Hα-helixtrans-72.6-42.8-178.2-77.7165000113.1L8 N9 S14 N15L8-L12 PolarHBondContact O-N 3Å; N9-L12 PolarHBondContact O-N 3.28Å; L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 2.6Å; L12-N15 PolarHBondContact O-N 2.78Å; L12-N15 VanDerWaalsContact O-N 3.17Å
13L43.4Very low43Very low134 Ų134122.2 Ų122.270%0.70264%0.639SS**Hα-helixtrans-63.3-31.6178.8-90.378.1000113N9 N15 E16 H17N9-L13 WeakPolarHBondContact O-CD1 3.32Å; N9-L13 PolarHBondContact O-N 3.27Å; L13-N15 PolarHBondContact O-N 3.36Å; L13-E16 PolarHBondContact O-N 3.38Å; L13-H17 PolarHBondContact O-N 3.07Å
14S45.8Very low42.8Very low86 Ų86124 Ų12460%0.60164%0.64SS**Hα-helixtrans-62-30.6177.3-167.80000112.8L12L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 2.6Å
15N41.1Very low42.7Very low94 Ų94121.2 Ų121.250%0.50364%0.644SS.*Hα-helixtrans-80.9-33.9-176.7-122-81000113.5L12 L13 K19L12-N15 PolarHBondContact O-N 2.78Å; L12-N15 VanDerWaalsContact O-N 3.17Å; L13-N15 PolarHBondContact O-N 3.36Å; N15-K19 WeakPolarHBondContact O-CG 3.23Å; N15-K19 PolarHBondContact O-N 3.39Å
16E46.3Very low42.5Very low111 Ų111125.5 Ų125.552%0.51965%0.654SS.*Hα-helixtrans-68.2-41.3176.6-81.6-62.5106.200112L13 L18 K19 M20L13-E16 PolarHBondContact O-N 3.38Å; E16-L18 VanDerWaalsContact C-N 3.27Å; E16-L18 PolarHBondContact O-N 2.89Å; E16-K19 PolarHBondContact O-N 3.31Å; E16-K19 VanDerWaalsContact O-N 3.16Å; E16-M20 PolarHBondContact O-N 3.5Å
17H43Very low42.1Very low129 Ų129123 Ų12360%0.59766%0.657SS**Hα-helixtrans-62.7-35-178.4-143.3-98.3000112.3L13 M21L13-H17 PolarHBondContact O-N 3.07Å; H17-M21 PolarHBondContact O-N 3.48Å
18L45.3Very low41.9Very low129 Ų129124.1 Ų124.168%0.67567%0.669SS**Hα-helixtrans-74.5-34.9176.8-153.169000112.4E16 M20 A22E16-L18 VanDerWaalsContact C-N 3.27Å; E16-L18 PolarHBondContact O-N 2.89Å; L18-M20 VanDerWaalsContact C-N 3.32Å; L18-A22 PolarHBondContact O-N 2.91Å
19K42.5Very low41.5Very low115 Ų115121.8 Ų121.850%0.567%0.673SS.*Hα-helixtrans-70.2-26173.1-72173.8-174.4173.30113.4N15 E16N15-K19 WeakPolarHBondContact O-CG 3.23Å; N15-K19 PolarHBondContact O-N 3.39Å; E16-K19 PolarHBondContact O-N 3.31Å; E16-K19 VanDerWaalsContact O-N 3.16Å
20M43.3Very low41.1Very low123 Ų123125.3 Ų125.361%0.60669%0.69SS**Hα-helixtrans-73.2-40177.1-160.2174.2-6700111.9E16 L18 A22 R23E16-M20 PolarHBondContact O-N 3.5Å; L18-M20 VanDerWaalsContact C-N 3.32Å; M20-A22 VanDerWaalsContact C-N 3.32Å; M20-A22 PolarHBondContact O-N 2.83Å; M20-R23 PolarHBondContact O-N 3.34Å
21M43.7Very low40.5Very low139 Ų139126.1 Ų126.169%0.68570%0.697SS**Hα-helixtrans-65.5-32.5175.6-72.2-173168.200113.1H17 R23H17-M21 PolarHBondContact O-N 3.48Å; M21-R23 PolarHBondContact O-N 3.37Å
22A41.1Very low40.1Very low78 Ų78128.2 Ų128.265%0.64572%0.715SS**THydrogen-bonded Turntrans-66.7-14.4177.200000114.4L18 M20L18-A22 PolarHBondContact O-N 2.91Å; M20-A22 VanDerWaalsContact C-N 3.32Å; M20-A22 PolarHBondContact O-N 2.83Å
23R43.3Very low39.7Very low219 Ų219128.9 Ų128.983%0.82673%0.729SS**THydrogen-bonded Turntrans-102.80.1-176-113.1-168-77.2-152.22.3116M20 M21M20-R23 PolarHBondContact O-N 3.34Å; M21-R23 PolarHBondContact O-N 3.37Å
24Y39.3Very low39.1Very low218 Ų218126.1 Ų126.186%0.85573%0.733SS**SBendtrans-101.1-4.2176.1-107.3-86000114.7
25G39.8Very low38.5Very low77 Ų77129.6 Ų129.679%0.79475%0.75SS**SBendtrans-90.46.8-177.200000116.2
26Q38.7Very low37.9Very low180 Ų180128.5 Ų128.584%0.84176%0.761SS**  trans-145.158.8-165.2-159.5167.67.900113.8
27L38.3Very low37.1Very low176 Ų176129.3 Ų129.392%0.92178%0.779SS**  trans-150.755.8172.2-119.1174.7000113.3
28S37.3Very low36.6Very low131 Ų131129.8 Ų129.892%0.91679%0.791SS**SBendtrans-151.161.917264.40000112.3
29G33.2Very low36.8Very low64 Ų64128.4 Ų128.466%0.6679%0.789SS**  trans-172.2151.8174.500000111.2
30L32.4Very low36.2Very low180 Ų180130.7 Ų130.794%0.94280%0.802SS**  trans72.4135.1-165.5-55.6171.1000113.7
31A31.7Very low35.6Very low91 Ų91130.6 Ų130.675%0.75281%0.808SS**  cis-156.2153.1-10.500000112.3
32A31.7Very low35Very low107 Ų107132.5 Ų132.588%0.88482%0.815SS**  trans-153.399.4156.200000108.4
33S33.4Very low34.4Very low125 Ų125133.8 Ų133.887%0.87482%0.819SS**  trans-98.3127.7-176.3520000111.8
34G29.4Very low34.7Very low77 Ų77128.6 Ų128.679%0.79481%0.814SS**  trans-131.3115.8175.800000111.7
35V33.3Very low34.3Very low158 Ų158124.6 Ų124.696%0.95881%0.807SS**  trans-53.6146.6-178.3-74.70000115.5
36G28.6Very low33.9Very low71 Ų71129.2 Ų129.273%0.73281%0.805SS**  trans172.577.2171.500000118
37S30.5Very low33.5Very low128 Ų128125.2 Ų125.290%0.89580%0.797SS**  trans41.7132.9149.5-53.40000124.4
38V31.6Very low33.2Very low140 Ų140127.2 Ų127.285%0.84879%0.793SS**  trans-76.1177.1159.6-100.40000111.9
39P50.4Low33Very low99 Ų99128 Ų12864%0.64379%0.787SS**  cis-141.3175.41942.1-22.1000119.6
40E29.9Very low34.3Very low164 Ų164130.1 Ų130.177%0.76679%0.789SS**  trans60.1137.3146.5-73.4166.4124.300121.3
41T29.8Very low34.2Very low121 Ų121129.1 Ų129.174%0.74278%0.783SS**  -163.8149.266.828.30000115.2
42H31Very low34.2Very low178 Ų178130.1 Ų130.182%0.82479%0.785SS**  trans44.8112.1150.1-70.6-72.7000124.2
43S29.7Very low34.2Very low105 Ų105130.2 Ų130.273%0.73478%0.779SS**  trans-79-171.3137.4-23.70000110.1
44P48.4Very low35.1Very low111 Ų111130.4 Ų130.472%0.72178%0.777SS**  cis-131.9-149.727.723.27000112.2
45L31.6Very low35.1Very low134 Ų134131.7 Ų131.770%0.70278%0.78SS**  cis-15415816.7-75.2165.2000111.7
46F32.1Very low35.1Very low173 Ų173133.5 Ų133.576%0.75978%0.778SS**  trans42.1155.8144.4-70.4-54.5000123.2
47S30.5Very low35.2Very low96 Ų96138.6 Ų138.667%0.67179%0.785SS**  cis-152.5139.5-0.6-109.90000108.3
48R31.8Very low35.1Very low219 Ų219135.6 Ų135.683%0.82677%0.774SS**  92.3125.467.1-146.1179.9-163.1-170.13.1114
49D32.7Very low35Very low148 Ų148139.6 Ų139.679%0.79178%0.776SS**  trans-82.1-155.7-173.4-41-100.5000112.5
50P59.2Low34Very low108 Ų108146.2 Ų146.270%0.70179%0.788SS**  cis-145.5-166.4-0.732.3-5.5000118
51L31.4Very low34Very low159 Ų159143.7 Ų143.783%0.83279%0.788SS**  trans84.5149.5162-62.4140.2000117.2
52S30.3Very low34.6Very low112 Ų112143.7 Ų143.778%0.78379%0.79SS**  cis-147.2179.76.8-150.30000113.8
53S33.4Very low34.6Very low108 Ų108143.4 Ų143.476%0.75579%0.794SS**  trans-103.2-154.6-170.3-57.60000113.9
54P50.8Low34.5Very low130 Ų130142.3 Ų142.384%0.84480%0.799SS**  -124.1-178.6-85.538.9-23.8000114.3
55A31.2Very low33.6Very low104 Ų104142.5 Ų142.586%0.8680%0.803SS**  trans-144.9146.2165.400000113
56Q31.3Very low33.6Very low196 Ų196143.1 Ų143.192%0.91681%0.813SS**  trans-114.5142.6172-74.9-170.5-2.500111.4
57M30.9Very low33.3Very low178 Ų178143.6 Ų143.688%0.87782%0.817SS**  trans-158.6144.8147.3-104.7-179.9-179.500108.4
58G28.8Very low33.2Very low64 Ų64145 Ų14566%0.6682%0.822SS**  cis137.948.4-0.900000113.6
59Y30.7Very low33Very low224 Ų224143.1 Ų143.188%0.87882%0.823SS**  trans-121143.2-179.8-77.4-78000113.2
60R29.1Very low32.7Very low239 Ų239147.2 Ų147.290%0.90283%0.827SS**  trans-127.9130.5-161.5-176.5-171.6-172.1-137.87.2109
61S29.7Very low31.2Very low110 Ų110153.8 Ų153.877%0.76984%0.838SS**  trans-65.7155.1172.2-46.50000111.7
62P41.4Very low30.9Very low121 Ų121155 Ų15579%0.78684%0.839SS**  trans-125.9155.3133.115.93000111.9
63L32.3Very low30.8Very low173 Ų173154 Ų15491%0.90684%0.838SS**  trans-76.9153.5164.1-69.590.3000110
64G27.3Very low30.5Very low82 Ų82157.7 Ų157.785%0.84584%0.844SS**  trans-154.7104168.800000109.7
65S29.4Very low29.6Very low115 Ų115158.6 Ų158.680%0.80484%0.84SS**  trans-111.1127.5-176.147.40000111.3
66T31.2Very low29.6Very low147 Ų147159.7 Ų159.790%0.90284%0.839SS**  trans-139.7127.516545.80000109.7
67E25.9Very low29.5Very low182 Ų182157.6 Ų157.685%0.8583%0.829SS**  trans-100.5179.6177-163.3175.710900109.9
68T29.2Very low29.4Very low126 Ų126157.3 Ų157.377%0.77383%0.83SS**  trans69146.2-179.811.20000113.7
69Q26.8Very low29.1Very low180 Ų180162.4 Ų162.484%0.84184%0.837SS**  cis-148.2146.225.1-171.3173.34.900113.9
70W26.4Very low28.9Very low233 Ų233154.7 Ų154.788%0.88383%0.825SS**  trans-73.3149.3171.9-66.688.5000112.3
71R27.3Very low28.7Very low247 Ų247156 Ų15693%0.93283%0.831SS**  trans-140.7127.3157.8-125.4178.1-177.3-177.80111.7
72Q26.1Very low28.5Very low183 Ų183154.8 Ų154.886%0.85583%0.827SS**  trans-89.9148.3173.7-67.5151.9-77.500110.2
73A28.1Very low27.9Very low93 Ų93157.8 Ų157.877%0.76983%0.831SS**  trans-153.689.8154.400000104.6
74E27.8Very low27.7Very low185 Ų185159.8 Ų159.886%0.86483%0.832SS**  68.5108.891.5-71.8-164.6104.300113.4
75L31Very low27.7Very low148 Ų148159.5 Ų159.578%0.77583%0.829SS**PPolyproline II helixtrans-72.3150.5163.8-70.7159.7000109.5
76P31.4Very low27.5Very low128 Ų128162.2 Ų162.283%0.83183%0.834SS**PPolyproline II helix-102.1132.7127.8-19.234.3000111.6
77Q27.9Very low27.4Very low152 Ų152162.7 Ų162.771%0.7183%0.83SS**PPolyproline II helixtrans-84.9151.1160.9-58.91791600109
78L29Very low27.4Very low172 Ų172160.6 Ų160.690%0.90183%0.83SS**  trans-146.7142143.2-115.1174.3000109.9
79Q24.2Very low27.4Very low170 Ų170163 Ų16379%0.79483%0.832SS**  trans-97.2152.2-168.1-65.3149.2-85.400112.1
80G24.8Very low27.6Very low62 Ų62160.6 Ų160.664%0.63983%0.832SS**  trans102.6107137.600000117.4
81W24.6Very low27.6Very low267 Ų267158.5 Ų158.5100%1.01183%0.829SS**  -144.5150.9101.2-93.7-41000111.1
82A26.6Very low27.6Very low84 Ų84154.9 Ų154.969%0.69483%0.825SS**  trans-109.9169.6169.900000109.4
83E28.6Very low27.7Very low185 Ų185153.1 Ų153.186%0.86482%0.82SS**  trans56.396.7166.1-59.6-168100.300118
84K28.3Very low27.8Very low214 Ų214155.1 Ų155.193%0.9382%0.816SS**  -155114.2109-104.3153.3-170.3172.90110
85G26.7Very low27.8Very low77 Ų77151.5 Ų151.579%0.79481%0.811SS**  trans-81.5139.9173.300000110.9
86L26Very low27.7Very low171 Ų171150.7 Ų150.790%0.89581%0.808SS**  trans-147.7139.6154.3-127.3151.3000110.9
87L28.6Very low27.5Very low158 Ų158154 Ų15483%0.82781%0.814SS**  trans-66.9137.8-177-150.176.2000111.3
88T27.1Very low27.4Very low137 Ų137155.2 Ų155.284%0.8482%0.82SS**  trans-165.3136.4147.56.60000111.3
89Q27.7Very low27.3Very low177 Ų177151.4 Ų151.483%0.82781%0.814SS**PPolyproline II helixtrans-103.6142.9164-63.4-17415.100109.2K91Q89-K91 PolarHBondContact O-N 3.17Å
90P31.3Very low27.7Very low129 Ų129149.2 Ų149.284%0.83881%0.814SS**PPolyproline II helixtrans-67.9121.4166.628.4-31.9000109.7
91K27.3Very low27.8Very low190 Ų190153.1 Ų153.183%0.82683%0.825SS**PPolyproline II helixtrans-67.7138.7179.3-71.5175.3175.8174.60111.3Q89Q89-K91 PolarHBondContact O-N 3.17Å
92M26.6Very low28Very low171 Ų171146 Ų14684%0.84281%0.812SS**PPolyproline II helixtrans-67.7126.4151.2-71.9-101.4-71.300108.4
93I28.5Very low28.1Very low145 Ų145149.5 Ų149.574%0.74482%0.819SS**PPolyproline II helixtrans-100.4116.4168.3-62179.1000107.9
94I30Very low28Very low136 Ų136144.2 Ų144.270%0.69781%0.813SS**  trans-110.4126.9164.2-62.6173.9000106
95S28.2Very low28.7Very low108 Ų108139.7 Ų139.776%0.75581%0.806SS**  trans-121.989.9175-66.90000109.7
96N27.8Very low28.8Very low131 Ų131141.8 Ų141.870%0.70181%0.809SS**  trans-76.8139.2154.3-82.736.9000108.3
97M28.7Very low28.8Very low197 Ų197137.7 Ų137.797%0.9781%0.807SS**  trans-144.2111.2156.3-103.5175.3172.900108.7
98E25Very low28.7Very low178 Ų178134.2 Ų134.283%0.83281%0.81SS**  trans-98.9163.9165.8-70173.876.500109.6
99A26.7Very low28.6Very low93 Ų93131.1 Ų131.177%0.76981%0.805SS**  trans130.7153.9150.700000113.4
100P32.3Very low28.6Very low123 Ų123129.9 Ų129.980%0.79980%0.804SS**  cis-125.5-177.7-26.131.2-12.6000112.3
101V28.1Very low28.5Very low144 Ų144130 Ų13087%0.87380%0.803SS**  trans-122.2139.5172.3-69.80000111.7
102T27.8Very low28.6Very low118 Ų118124.6 Ų124.672%0.72479%0.793SS**  trans-165.9111.3161164.10000112.6
103N28.7Very low28.8Very low158 Ų158124.2 Ų124.285%0.84580%0.795SS**  trans54.1135.7146.1-54.8-30.8000121.9
104G27.6Very low28.6Very low73 Ų73120.7 Ų120.775%0.75380%0.795SS**  trans-90.1-149.9171.300000113.6
105P41.3Very low29.8Very low119 Ų119120 Ų12077%0.77380%0.798SS**  cis-144.3-177.337.144.2-25.9000117.7
106S30Very low29.8Very low122 Ų122121.7 Ų121.785%0.85381%0.805SS**  trans67.6119.8148.9-60.90000122.9
107G25.6Very low30Very low84 Ų84121.6 Ų121.687%0.86681%0.809SS**  129.7118.9129.600000120.1
108G26.4Very low30Very low85 Ų85119.6 Ų119.688%0.87680%0.802SS**  trans101.9110137.400000121.7
109G25.7Very low30.4Very low73 Ų73115.2 Ų115.275%0.75379%0.791SS**  8999.8117.100000122.8
110N27.2Very low30.7Very low150 Ų150122.6 Ų122.680%0.80280%0.799SS**  trans49.3133.7130.2-75.211.3000124.8
111T28.7Very low30.6Very low133 Ų133120.2 Ų120.282%0.81680%0.797SS**  trans66.7155.4139.955.20000120.1
112A29.3Very low30.7Very low75 Ų75119.2 Ų119.262%0.6280%0.795SS**  cis-168.6167.9-23.400000110.3
113N30.7Very low31.2Very low164 Ų164119.9 Ų119.988%0.87780%0.801SS**  trans64.5140.7160.9-58.3-17.6000120.2
114G25.8Very low31.3Very low71 Ų71117.4 Ų117.473%0.73280%0.797SS**  trans-107.9-146.3154.100000109.4
115P53.5Low31.9Very low120 Ų120119.8 Ų119.878%0.77980%0.799SS**  cis-126.3-175.9-12.442.3-28.4000112.2
116T29Very low31.7Very low145 Ų145122.4 Ų122.489%0.8980%0.803SS**  trans179.6168.1135.923.20000114.5
117T31.5Very low31.9Very low128 Ų128125.8 Ų125.879%0.78581%0.805SS**  trans-85.1155.8-177.354.10000114.6
118N30.1Very low32.4Very low156 Ų156127.4 Ų127.483%0.83480%0.798SS**  -173.9176.8103.3-152.4-7.4000111.9
119S32Very low32.7Very low86 Ų86125.6 Ų125.660%0.60178%0.779SS**  trans-116.8148.4-176.363.50000113.4
120R33.1Very low33.4Very low248 Ų248128.3 Ų128.394%0.93678%0.784SS**  trans175157.8132.8-91.5156-162.6-1705.1109.2
121G31.1Very low34Very low73 Ų73126.1 Ų126.175%0.75378%0.776SS**  trans-113.2167.2-164.500000115.8
122C29.7Very low35Very low122 Ų122126.5 Ų126.582%0.82477%0.773SS**  trans-130.1135168.4-640000108.9S124C122-S124 PolarHBondContact O-N 2.99Å
123P38.4Very low36.1Very low133 Ų133125.2 Ų125.286%0.86476%0.756SS**  trans-84.9107.8174.532.1-30.8000110.9
124S30.9Very low37.2Very low106 Ų106122.4 Ų122.474%0.74174%0.741SS**  trans-83.8151.6170.4-65.90000111.4C122C122-S124 PolarHBondContact O-N 2.99Å
125P40.1Very low38.9Very low123 Ų123121.6 Ų121.680%0.79972%0.724SS**  trans-62152.6-177-22.934000113.7Q127P125-Q127 PolarHBondContact O-N 3.24Å
126M37.4Very low39.7Very low173 Ų173120.6 Ų120.685%0.85271%0.707SS**  trans-64.292169.9-82.5178.357.600110.9T128M126-T128 HydrophobicContact CE-CG2 4.02Å; M126-T128 PolarHBondContact O-N 2.82Å; M126-T128 VanDerWaalsContact O-N 3.11Å
127Q33Very low42.3Very low193 Ų193114.3 Ų114.390%0.90267%0.668SS**  trans-76.192.5163-172.6168.987.300108.2P125 G129P125-Q127 PolarHBondContact O-N 3.24Å; Q127-G129 PolarHBondContact O-N 3.09Å
128T38Very low45.1Very low119 Ų119110.6 Ų110.673%0.7364%0.644SS**  trans-70.876.2174.252.60000110.3M126M126-T128 HydrophobicContact CE-CG2 4.02Å; M126-T128 PolarHBondContact O-N 2.82Å; M126-T128 VanDerWaalsContact O-N 3.11Å
129G32.1Very low47.9Very low46 Ų46103.2 Ų103.247%0.47460%0.604SS.*PPolyproline II helixtrans-60.7152.6161.700000110.2Q127 T131Q127-G129 PolarHBondContact O-N 3.09Å; G129-T131 PolarHBondContact O-N 2.98Å; G129-T131 VanDerWaalsContact O-N 3.1Å
130P40.5Very low50.6Low131 Ų131100.7 Ų100.785%0.85158%0.584SS**PPolyproline II helixtrans-60.8117.6179.925.4-33.6000109.9
131T38.4Very low53.3Low104 Ų10488.9 Ų88.964%0.63854%0.539SS*.PPolyproline II helixtrans-65.3143.8168.944.90000109.1G129 D133G129-T131 PolarHBondContact O-N 2.98Å; G129-T131 VanDerWaalsContact O-N 3.1Å; T131-D133 PolarHBondContact O-N 3.42Å
132N49.8Very low56.1Low141 Ų14187.6 Ų87.675%0.75452%0.515SS*.  trans-72.258.3178.5-75.3-86000111.8D134N132-D134 VanDerWaalsContact C-N 3.32Å
133D52.1Low58.7Low47 Ų4788.6 Ų88.625%0.25150%0.502SS..THydrogen-bonded Turntrans-82.8-8.1-176.3-117.1-86.8000113.5T131 S135 K136 T137T131-D133 PolarHBondContact O-N 3.42Å; D133-S135 PolarHBondContact O-N 3.25Å; D133-K136 PolarHBondContact O-N 3.36Å; D133-K136 VanDerWaalsContact OD1-CD 3.3Å; D133-K136 WeakPolarHBondContact OD1-CD 3.5Å; D133-K136 WeakPolarHBondContact OD1-CE 3.49Å; D133-K136 WeakPolarHBondContact OD1-CG 3.42Å; D133-K136 IonicContact OD1-NZ 2.92Å; D133-K136 PolarHBondContact OD1-NZ 3.44Å; D133-K136 IonicContact OD2-NZ 2.7Å; D133-K136 PolarHBondContact OD2-NZ 2.65Å; D133-T137 PolarHBondContact O-N 3.46Å
134D55.7Low61Low106 Ų10682.3 Ų82.357%0.56746%0.462SS*.Hα-helixtrans-53.4-23.9168.2-55.4-70.4000112.8N132 K136 T137 N138N132-D134 VanDerWaalsContact C-N 3.32Å; D134-K136 VanDerWaalsContact C-N 3.25Å; D134-K136 PolarHBondContact O-N 3.31Å; D134-T137 WeakPolarHBondContact CA-OG1 3.4Å; D134-T137 PolarHBondContact O-OG1 3.04Å; D134-N138 WeakPolarHBondContact O-CB 3.49Å; D134-N138 PolarHBondContact O-N 3.12Å; D134-N138 PolarHBondContact O-ND2 3.03Å
135S60.1Low63.5Low53 Ų5377.5 Ų77.537%0.37143%0.428SS..Hα-helixtrans-76.6-6175.2-61.60000114.1D133D133-S135 PolarHBondContact O-N 3.25Å
136K70.4Confident65.5Low99 Ų9977 Ų7743%0.4342%0.415SS..Hα-helixtrans-105.9-33.3174.3-52.9-158.6-158.31100112.9D133 D134 P188 A191 Y212D133-K136 PolarHBondContact O-N 3.36Å; D133-K136 VanDerWaalsContact OD1-CD 3.3Å; D133-K136 WeakPolarHBondContact OD1-CD 3.5Å; D133-K136 WeakPolarHBondContact OD1-CE 3.49Å; D133-K136 WeakPolarHBondContact OD1-CG 3.42Å; D133-K136 IonicContact OD1-NZ 2.92Å; D133-K136 PolarHBondContact OD1-NZ 3.44Å; D133-K136 IonicContact OD2-NZ 2.7Å; D133-K136 PolarHBondContact OD2-NZ 2.65Å; D134-K136 VanDerWaalsContact C-N 3.25Å; D134-K136 PolarHBondContact O-N 3.31Å; K136-P188 HydrophobicContact CB-CB 3.98Å; K136-A191 WeakPolarHBondContact O-CB 3.5Å; K136-Y212 HydrophobicContact CB-CE1 4.3Å; K136-Y212 WeakPolarHBondContact O-CD1 3.47Å; K136-Y212 WeakPolarHBondContact O-CE1 3.48Å
137T84.4Confident67.7Low13 Ų1373.5 Ų73.58%0.0840%0.4CS..Hα-helixtrans-69.4-34.2174.244.60000112.8D133 D134 N184 Y185 P188D133-T137 PolarHBondContact O-N 3.46Å; D134-T137 WeakPolarHBondContact CA-OG1 3.4Å; D134-T137 PolarHBondContact O-OG1 3.04Å; T137-N184 WeakPolarHBondContact CB-OD1 3.3Å; T137-N184 PolarHBondContact O-OD1 3.07Å; T137-N184 PolarHBondContact OG1-OD1 3.07Å; T137-N184 VanDerWaalsContact OG1-OD1 3.1Å; T137-Y185 WeakPolarHBondContact CB-O 3.3Å; T137-Y185 WeakPolarHBondContact CG2-O 3.49Å; T137-Y185 PolarHBondContact O-N 3.03Å; T137-Y185 VanDerWaalsContact O-N 3.12Å; T137-P188 HydrophobicContact CG2-CB 3.89Å; T137-P188 HydrophobicContact CG2-CG 4.34Å
138N88.9Confident70.1Confident51 Ų5165.1 Ų65.127%0.27336%0.361SS..EExtended strand (participates in β ladder)trans-79.9127-179.5-82.3-86.1000112.4D134 N184 Y212 A213D134-N138 WeakPolarHBondContact O-CB 3.49Å; D134-N138 PolarHBondContact O-N 3.12Å; D134-N138 PolarHBondContact O-ND2 3.03Å; N138-N184 WeakPolarHBondContact CA-OD1 3.36Å; N138-N184 PolarHBondContact N-OD1 3.46Å; N138-N184 VanDerWaalsContact N-OD1 3.15Å; N138-N184 PolarHBondContact ND2-OD1 2.93Å; N138-N184 PolarHBondContact OD1-OD1 3.34Å; N138-Y212 CarbonylContact O-C 3.51Å; N138-Y212 WeakPolarHBondContact O-CA 2.95Å; N138-A213 HydrophobicContact CB-CB 4.08Å; N138-A213 PolarHBondContact O-N 2.82Å
139L89.6Confident72.5Confident0 Ų061.7 Ų61.70%034%0.34CS..EExtended strand (participates in β ladder)trans-118.8147.3175.3-57.1-169.7000112.5F182 V183 Y185 A191 A194 I195 V210 S211 Y212L139-F182 WeakPolarHBondContact O-CA 3.25Å; L139-V183 PolarHBondContact N-O 3.11Å; L139-V183 PolarHBondContact O-N 3.46Å; L139-Y185 HydrophobicContact CD1-CD2 4.22Å; L139-Y185 HydrophobicContact CD1-CE2 3.73Å; L139-Y185 HydrophobicContact CG-CD2 4.45Å; L139-Y185 HydrophobicContact CG-CE2 4.39Å; L139-A191 HydrophobicContact CD1-CB 4.36Å; L139-A191 HydrophobicContact CD2-CB 4Å; L139-A191 HydrophobicContact CG-CB 4.11Å; L139-A194 HydrophobicContact CD1-CB 3.93Å; L139-I195 HydrophobicContact CD1-CG1 4.17Å; L139-I195 HydrophobicContact CD2-CD1 3.61Å; L139-I195 HydrophobicContact CD2-CG1 3.75Å; L139-V210 HydrophobicContact CD1-CG1 3.78Å; L139-S211 WeakPolarHBondContact CA-O 3.48Å; L139-Y212 HydrophobicContact CD2-CD1 3.75Å; L139-Y212 HydrophobicContact CD2-CE1 4.17Å; L139-Y212 HydrophobicContact CD2-CG 4.45Å
140I89.6Confident75Confident33 Ų3362.6 Ų62.617%0.16933%0.332CS..EExtended strand (participates in β ladder)trans-113.1131.1165.7-172176.8000109.6F182 S211 A213I140-F182 HydrophobicContact CB-CD1 4Å; I140-F182 HydrophobicContact CB-CE1 3.91Å; I140-F182 HydrophobicContact CD1-CE1 3.73Å; I140-F182 HydrophobicContact CD1-CZ 3.93Å; I140-F182 HydrophobicContact CG1-CD1 4.08Å; I140-F182 HydrophobicContact CG1-CE1 3.75Å; I140-F182 HydrophobicContact CG1-CZ 4.26Å; I140-S211 WeakPolarHBondContact CG2-OG 3.46Å; I140-S211 PolarHBondContact N-O 3.3Å; I140-S211 PolarHBondContact O-N 3.18Å; I140-S211 VanDerWaalsContact O-N 3.11Å; I140-A213 HydrophobicContact CB-CB 3.94Å; I140-A213 HydrophobicContact CG2-CB 4.32Å
141V89.7Confident77.3Confident0 Ų062.1 Ų62.10%032%0.318CS..EExtended strand (participates in β ladder)trans-112117.3178.5-171.20000108.2L144 F153 F157 Y180 G181 V183 I208 K209 V210V141-L144 HydrophobicContact CB-CD1 4.42Å; V141-L144 HydrophobicContact CG1-CD1 4.28Å; V141-L144 HydrophobicContact CG1-CD2 3.73Å; V141-L144 HydrophobicContact CG1-CG 4.01Å; V141-F153 HydrophobicContact CB-CE2 3.89Å; V141-F153 HydrophobicContact CB-CZ 4.04Å; V141-F153 HydrophobicContact CG1-CE2 4.08Å; V141-F153 HydrophobicContact CG2-CE2 3.89Å; V141-F153 HydrophobicContact CG2-CZ 3.83Å; V141-F157 HydrophobicContact CB-CZ 4.24Å; V141-F157 HydrophobicContact CG1-CE2 4.28Å; V141-F157 HydrophobicContact CG1-CZ 3.85Å; V141-F157 HydrophobicContact CG2-CE1 3.65Å; V141-F157 HydrophobicContact CG2-CE2 4Å; V141-F157 HydrophobicContact CG2-CZ 3.35Å; V141-Y180 CarbonylContact O-C 3.57Å; V141-Y180 WeakPolarHBondContact O-CA 3.17Å; V141-Y180 WeakPolarHBondContact O-CB 3.5Å; V141-G181 PolarHBondContact N-O 2.88Å; V141-G181 PolarHBondContact O-N 3.28Å; V141-V183 HydrophobicContact CG2-CG2 4.45Å; V141-I208 HydrophobicContact CG1-CB 4.29Å; V141-I208 HydrophobicContact CG1-CD1 4.29Å; V141-K209 WeakPolarHBondContact CA-O 3.47Å; V141-V210 HydrophobicContact CG1-CG2 4.13Å; V141-V210 HydrophobicContact CG2-CG1 4.4Å; V141-V210 HydrophobicContact CG2-CG2 4.32Å
142N88.4Confident79.7Confident46 Ų4661.9 Ų61.925%0.24631%0.31CS..EExtended strand (participates in β ladder)trans-108.8161.2-179.6-66.5-83.4000111.3I208 K209N142-I208 WeakPolarHBondContact O-CA 3.31Å; N142-K209 HydrophobicContact CB-CB 4.45Å; N142-K209 PolarHBondContact N-O 3.38Å; N142-K209 PolarHBondContact O-N 3.15Å
143Y85.8Confident81.6Confident143 Ų14355.2 Ų55.256%0.56127%0.274SS*.SBendtrans64.729.1179.2-49.4-77.8000115.3G179 K206 T207 K209Y143-G179 CarbonylContact C-O 3.53Å; Y143-G179 WeakPolarHBondContact CA-O 3.41Å; Y143-G179 PolarHBondContact N-O 3.03Å; Y143-K206 VanDerWaalsContact O-CB 3.23Å; Y143-K206 WeakPolarHBondContact O-CB 3.45Å; Y143-K206 WeakPolarHBondContact O-CD 3.33Å; Y143-T207 WeakPolarHBondContact CB-O 3.36Å; Y143-K209 HydrophobicContact CD2-CB 3.89Å; Y143-K209 HydrophobicContact CE2-CB 4.15Å
144L86.4Confident83.4Confident1 Ų159 Ų591%0.00529%0.285CS..  trans-62.1145.3169.9-63.4168.3000111.1V141 M148 F153 L168 G179 K206 I208V141-L144 HydrophobicContact CB-CD1 4.42Å; V141-L144 HydrophobicContact CG1-CD1 4.28Å; V141-L144 HydrophobicContact CG1-CD2 3.73Å; V141-L144 HydrophobicContact CG1-CG 4.01Å; L144-M148 HydrophobicContact CD2-SD 3.88Å; L144-F153 HydrophobicContact CD1-CD2 3.85Å; L144-F153 HydrophobicContact CD1-CE2 3.56Å; L144-F153 HydrophobicContact CD1-CZ 4.21Å; L144-F153 HydrophobicContact CD2-CD2 4.02Å; L144-F153 HydrophobicContact CD2-CE2 3.99Å; L144-F153 HydrophobicContact CG-CE2 4.41Å; L144-L168 HydrophobicContact CD1-CD1 3.54Å; L144-G179 PolarHBondContact N-O 2.87Å; L144-G179 WeakPolarHBondContact O-CA 3.36Å; L144-K206 WeakPolarHBondContact O-CD 3.46Å; L144-K206 PolarHBondContact O-NZ 2.93Å; L144-I208 HydrophobicContact CD2-CG2 4.01Å
145P83.3Confident85Confident5 Ų558.1 Ų58.13%0.03229%0.287CS..  trans-73.2148.5173.531.2-31.4000110.4N147 M148 L203P145-N147 VanDerWaalsContact C-N 3.32Å; P145-N147 WeakPolarHBondContact CB-OD1 3.31Å; P145-N147 PolarHBondContact O-N 2.96Å; P145-M148 HydrophobicContact CG-CB 4.19Å; P145-M148 WeakPolarHBondContact O-CB 3.19Å; P145-M148 PolarHBondContact O-N 3.17Å; P145-L203 HydrophobicContact CG-CB 4.15Å
146Q82.2Confident86.4Confident113 Ų11357.7 Ų57.753%0.52828%0.28SS..THydrogen-bonded Turntrans-73.6-23.3-166.9-68.7-170.5-66.600114.2M148 S177Q146-M148 VanDerWaalsContact C-N 3.29Å; Q146-S177 PolarHBondContact NE2-O 2.53Å; Q146-S177 WeakPolarHBondContact O-CB 3.28Å
147N82.9Confident87.3Confident99 Ų9953 Ų5353%0.52926%0.26SS..THydrogen-bonded Turntrans-76.4-12.2174.454.9-1.3000113.4P145 T149 Q204P145-N147 VanDerWaalsContact C-N 3.32Å; P145-N147 WeakPolarHBondContact CB-OD1 3.31Å; P145-N147 PolarHBondContact O-N 2.96Å; N147-T149 PolarHBondContact O-N 3.27Å; N147-Q204 PolarHBondContact ND2-NE2 2.98Å; N147-Q204 VanDerWaalsContact ND2-NE2 3.2Å; N147-Q204 PolarHBondContact ND2-OE1 2.7Å; N147-Q204 PolarHBondContact OD1-NE2 2.81Å; N147-Q204 PolarHBondContact OD1-OE1 2.69Å
148M84.1Confident87.5Confident17 Ų1754.3 Ų54.38%0.08428%0.276CS..  trans-65.3130.3-178.3-160.2169.4-169.400111.2L144 P145 Q146 E152 F153 L156 L168 S177 L203L144-M148 HydrophobicContact CD2-SD 3.88Å; P145-M148 HydrophobicContact CG-CB 4.19Å; P145-M148 WeakPolarHBondContact O-CB 3.19Å; P145-M148 PolarHBondContact O-N 3.17Å; Q146-M148 VanDerWaalsContact C-N 3.29Å; M148-E152 HydrophobicContact CE-CB 4.04Å; M148-E152 HydrophobicContact CG-CB 4.25Å; M148-F153 HydrophobicContact CE-CB 4.39Å; M148-L156 HydrophobicContact CE-CD2 4.04Å; M148-L168 VanDerWaalsContact O-CD2 3.26Å; M148-L168 WeakPolarHBondContact O-CD2 3.31Å; M148-S177 PolarHBondContact O-OG 3.35Å; M148-L203 HydrophobicContact CE-CD1 3.93Å; M148-L203 HydrophobicContact SD-CD1 3.81Å
149T87.2Confident87.5Confident48 Ų4856.1 Ų56.129%0.29429%0.293SS..  trans-80165.9177.3660000110.9N147 E151 E152 F153N147-T149 PolarHBondContact O-N 3.27Å; T149-E151 VanDerWaalsContact CB-OE2 3.31Å; T149-E151 WeakPolarHBondContact CB-OE2 3.19Å; T149-E152 VanDerWaalsContact CB-OE2 3.3Å; T149-E152 WeakPolarHBondContact CB-OE2 3.32Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.36Å; T149-E152 PolarHBondContact N-OE2 3.35Å; T149-E152 WeakPolarHBondContact OG1-CB 3.19Å; T149-E152 VanDerWaalsContact OG1-CD 3.23Å; T149-E152 WeakPolarHBondContact OG1-CG 3.23Å; T149-E152 PolarHBondContact OG1-N 2.99Å; T149-E152 PolarHBondContact OG1-OE2 2.84Å; T149-F153 VanDerWaalsContact O-CB 3.31Å; T149-F153 WeakPolarHBondContact O-CB 3.42Å; T149-F153 PolarHBondContact O-N 3.32Å
150Q86Confident87.4Confident65 Ų6557.9 Ų57.930%0.30430%0.302SS..Hα-helixtrans-76.5-23.5175.4-176.9170.4-86.500110.4F153 R154 L168 R170Q150-F153 PolarHBondContact O-N 3.1Å; Q150-R154 WeakPolarHBondContact O-CB 3.35Å; Q150-R154 PolarHBondContact O-N 2.83Å; Q150-L168 HydrophobicContact CB-CB 4.15Å; Q150-L168 HydrophobicContact CB-CD2 4.44Å; Q150-L168 HydrophobicContact CG-CB 4.18Å; Q150-R170 VanDerWaalsContact N-NH2 3.12Å
151E88.6Confident87.3Confident120 Ų12057 Ų5756%0.56130%0.301SS*.Hα-helixtrans-73.6-50.3-177.4-61.961.3-139.500109.8T149 F153 R154 S155T149-E151 VanDerWaalsContact CB-OE2 3.31Å; T149-E151 WeakPolarHBondContact CB-OE2 3.19Å; E151-F153 VanDerWaalsContact C-N 3.32Å; E151-F153 PolarHBondContact O-N 3.15Å; E151-R154 PolarHBondContact O-N 2.9Å; E151-S155 WeakPolarHBondContact O-CB 3.4Å; E151-S155 PolarHBondContact O-N 3.11Å
152E88.5Confident87.3Confident100 Ų10063.7 Ų63.747%0.46733%0.332SS..Hα-helixtrans-60-40.9168.2-69.2161.3128.700111.7M148 T149 S155 L156M148-E152 HydrophobicContact CE-CB 4.04Å; M148-E152 HydrophobicContact CG-CB 4.25Å; T149-E152 VanDerWaalsContact CB-OE2 3.3Å; T149-E152 WeakPolarHBondContact CB-OE2 3.32Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.36Å; T149-E152 PolarHBondContact N-OE2 3.35Å; T149-E152 WeakPolarHBondContact OG1-CB 3.19Å; T149-E152 VanDerWaalsContact OG1-CD 3.23Å; T149-E152 WeakPolarHBondContact OG1-CG 3.23Å; T149-E152 PolarHBondContact OG1-N 2.99Å; T149-E152 PolarHBondContact OG1-OE2 2.84Å; E152-S155 PolarHBondContact O-N 3.05Å; E152-L156 WeakPolarHBondContact O-CB 3.3Å; E152-L156 PolarHBondContact O-N 2.93Å
153F89.7Confident87.5Confident0 Ų062 Ų620%032%0.323CS..Hα-helixtrans-65.2-42.3179.3-178.3-110.2000112V141 L144 M148 T149 Q150 E151 F157 L168 V183V141-F153 HydrophobicContact CB-CE2 3.89Å; V141-F153 HydrophobicContact CB-CZ 4.04Å; V141-F153 HydrophobicContact CG1-CE2 4.08Å; V141-F153 HydrophobicContact CG2-CE2 3.89Å; V141-F153 HydrophobicContact CG2-CZ 3.83Å; L144-F153 HydrophobicContact CD1-CD2 3.85Å; L144-F153 HydrophobicContact CD1-CE2 3.56Å; L144-F153 HydrophobicContact CD1-CZ 4.21Å; L144-F153 HydrophobicContact CD2-CD2 4.02Å; L144-F153 HydrophobicContact CD2-CE2 3.99Å; L144-F153 HydrophobicContact CG-CE2 4.41Å; M148-F153 HydrophobicContact CE-CB 4.39Å; T149-F153 VanDerWaalsContact O-CB 3.31Å; T149-F153 WeakPolarHBondContact O-CB 3.42Å; T149-F153 PolarHBondContact O-N 3.32Å; Q150-F153 PolarHBondContact O-N 3.1Å; E151-F153 VanDerWaalsContact C-N 3.32Å; E151-F153 PolarHBondContact O-N 3.15Å; F153-F157 HydrophobicContact CD2-CD2 4.1Å; F153-F157 AromaticContact CD2-CE2 3.99Å; F153-F157 HydrophobicContact CD2-CE2 3.99Å; F153-F157 AromaticContact CE2-CD2 3.93Å; F153-F157 HydrophobicContact CE2-CD2 3.93Å; F153-F157 AromaticContact CE2-CE2 3.61Å; F153-F157 HydrophobicContact CE2-CE2 3.61Å; F153-F157 HydrophobicContact CE2-CZ 4.37Å; F153-F157 HydrophobicContact CZ-CD2 4.49Å; F153-F157 HydrophobicContact CZ-CE2 4.4Å; F153-F157 WeakPolarHBondContact O-CD2 3.3Å; F153-F157 PolarHBondContact O-N 3.35Å; F153-L168 HydrophobicContact CD1-CB 4.34Å; F153-V183 HydrophobicContact CE1-CG2 3.6Å; F153-V183 HydrophobicContact CE2-CG2 4.46Å; F153-V183 HydrophobicContact CZ-CG2 3.53Å
154R89.9Confident87.6Confident128 Ų12861.2 Ų61.248%0.48332%0.324SS..Hα-helixtrans-64.2-43.8173-173.4176.7-176.6116.58.1111.1Q150 E151 G158 I163 C166Q150-R154 WeakPolarHBondContact O-CB 3.35Å; Q150-R154 PolarHBondContact O-N 2.83Å; E151-R154 PolarHBondContact O-N 2.9Å; R154-G158 WeakPolarHBondContact O-CA 3.31Å; R154-G158 PolarHBondContact O-N 2.69Å; R154-I163 HydrophobicContact CG-CD1 4.48Å; R154-C166 VanDerWaalsContact CD-SG 3.59Å; R154-C166 VanDerWaalsContact CG-SG 3.53Å
155S90.1Very high87.6Confident87 Ų8764.1 Ų64.161%0.60835%0.345SS*.Hα-helixtrans-63.6-45.6-179.4-171.40000112.3E151 E152 F157 G158 S159E151-S155 WeakPolarHBondContact O-CB 3.4Å; E151-S155 PolarHBondContact O-N 3.11Å; E152-S155 PolarHBondContact O-N 3.05Å; S155-F157 PolarHBondContact O-N 3.44Å; S155-G158 PolarHBondContact O-N 2.84Å; S155-S159 PolarHBondContact O-N 3.41Å; S155-S159 VanDerWaalsContact O-N 3.14Å
156L88.9Confident87.8Confident43 Ų4364.6 Ų64.623%0.22535%0.348CS..Hα-helixtrans-58.1-49.4179.4-178.667.7000112M148 E152 S159 L198 L201 L203 I208M148-L156 HydrophobicContact CE-CD2 4.04Å; E152-L156 WeakPolarHBondContact O-CB 3.3Å; E152-L156 PolarHBondContact O-N 2.93Å; L156-S159 PolarHBondContact O-OG 3.02Å; L156-L198 HydrophobicContact CD1-CD2 4.38Å; L156-L201 HydrophobicContact CD1-CD2 4.12Å; L156-L201 HydrophobicContact CD2-CD2 4.24Å; L156-L203 HydrophobicContact CD2-CD1 4.09Å; L156-I208 HydrophobicContact CD2-CD1 4.48Å
157F89.1Confident88.1Confident0 Ų065.7 Ų65.70%035%0.351CS..Hα-helixtrans-77.1-34.3-179.4-76.5-98.6000111.8V141 F153 S155 S159 I160 I163 V183 Y185 A194 L198 I208 V210V141-F157 HydrophobicContact CB-CZ 4.24Å; V141-F157 HydrophobicContact CG1-CE2 4.28Å; V141-F157 HydrophobicContact CG1-CZ 3.85Å; V141-F157 HydrophobicContact CG2-CE1 3.65Å; V141-F157 HydrophobicContact CG2-CE2 4Å; V141-F157 HydrophobicContact CG2-CZ 3.35Å; F153-F157 HydrophobicContact CD2-CD2 4.1Å; F153-F157 AromaticContact CD2-CE2 3.99Å; F153-F157 HydrophobicContact CD2-CE2 3.99Å; F153-F157 AromaticContact CE2-CD2 3.93Å; F153-F157 HydrophobicContact CE2-CD2 3.93Å; F153-F157 AromaticContact CE2-CE2 3.61Å; F153-F157 HydrophobicContact CE2-CE2 3.61Å; F153-F157 HydrophobicContact CE2-CZ 4.37Å; F153-F157 HydrophobicContact CZ-CD2 4.49Å; F153-F157 HydrophobicContact CZ-CE2 4.4Å; F153-F157 WeakPolarHBondContact O-CD2 3.3Å; F153-F157 PolarHBondContact O-N 3.35Å; S155-F157 PolarHBondContact O-N 3.44Å; F157-S159 PolarHBondContact O-N 3Å; F157-S159 VanDerWaalsContact O-N 3.13Å; F157-I160 PolarHBondContact O-N 3.35Å; F157-I163 HydrophobicContact CB-CD1 3.65Å; F157-V183 HydrophobicContact CB-CG1 4.27Å; F157-V183 HydrophobicContact CB-CG2 4.29Å; F157-V183 HydrophobicContact CD1-CG2 4.1Å; F157-V183 HydrophobicContact CD2-CG2 4.44Å; F157-V183 HydrophobicContact CG-CG2 4Å; F157-Y185 WeakPolarHBondContact CB-OH 3.32Å; F157-Y185 PolarHBondContact O-OH 3.13Å; F157-A194 HydrophobicContact CD1-CB 4.44Å; F157-L198 HydrophobicContact CD1-CD1 3.56Å; F157-L198 HydrophobicContact CD2-CD1 4.23Å; F157-L198 HydrophobicContact CE1-CB 4.32Å; F157-L198 HydrophobicContact CE1-CD1 3.5Å; F157-L198 VanDerWaalsContact CE1-CD1 3.5Å; F157-L198 HydrophobicContact CE2-CD1 4.19Å; F157-L198 HydrophobicContact CG-CD1 3.91Å; F157-L198 HydrophobicContact CZ-CB 4.32Å; F157-L198 HydrophobicContact CZ-CD1 3.8Å; F157-I208 HydrophobicContact CZ-CD1 4.34Å; F157-V210 HydrophobicContact CE1-CG1 4.08Å; F157-V210 HydrophobicContact CE1-CG2 3.99Å; F157-V210 HydrophobicContact CZ-CG2 3.82Å
158G88.1Confident88.4Confident41 Ų4161.4 Ų61.442%0.42333%0.328SS..Hα-helixtrans-66.3-12176.600000114.3R154 S155 I160R154-G158 WeakPolarHBondContact O-CA 3.31Å; R154-G158 PolarHBondContact O-N 2.69Å; S155-G158 PolarHBondContact O-N 2.84Å; G158-I160 VanDerWaalsContact C-N 3.27Å
159S89.4Confident88.4Confident89 Ų8962.1 Ų62.162%0.62233%0.333SS*.THydrogen-bonded Turntrans-73.2-15.3169.774.10000114.1S155 L156 F157S155-S159 PolarHBondContact O-N 3.41Å; S155-S159 VanDerWaalsContact O-N 3.14Å; L156-S159 PolarHBondContact O-OG 3.02Å; F157-S159 PolarHBondContact O-N 3Å; F157-S159 VanDerWaalsContact O-N 3.13Å
160I88.6Confident88.3Confident37 Ų3764.7 Ų64.719%0.1934%0.338CS..THydrogen-bonded Turntrans-98.1-30.4-177.8-52.4-60.3000112.6F157 G158 K193 A194 T197 L198F157-I160 PolarHBondContact O-N 3.35Å; G158-I160 VanDerWaalsContact C-N 3.27Å; I160-K193 HydrophobicContact CG2-CB 3.66Å; I160-A194 HydrophobicContact CB-CB 4.32Å; I160-A194 HydrophobicContact CG1-CB 4.47Å; I160-A194 HydrophobicContact CG2-CB 3.95Å; I160-T197 HydrophobicContact CD1-CG2 4.13Å; I160-L198 HydrophobicContact CD1-CD2 4.46Å; I160-L198 HydrophobicContact CD1-CG 4.44Å; I160-L198 HydrophobicContact CG1-CD1 3.81Å; I160-L198 HydrophobicContact CG1-CG 4.2Å
161G86.9Confident88.1Confident15 Ų1563.8 Ų63.816%0.15534%0.335CS..SBendtrans175.4178-176.600000113.1I163 D190G161-I163 PolarHBondContact O-N 3.06Å; G161-D190 VanDerWaalsContact CA-OD2 3.25Å; G161-D190 WeakPolarHBondContact CA-OD2 3.36Å
162E90.1Very high87.4Confident141 Ų14168.2 Ų68.266%0.65935%0.352SS*.  trans-79120.3-172.4-162.5172.4170.300112.8Y185 I186E162-Y185 WeakPolarHBondContact O-CA 3.3Å; E162-Y185 WeakPolarHBondContact O-CD1 3.43Å; E162-I186 HydrophobicContact CB-CD1 4.14Å; E162-I186 HydrophobicContact CG-CD1 3.67Å; E162-I186 HydrophobicContact CG-CG1 4.4Å; E162-I186 PolarHBondContact O-N 2.85Å
163I91.1Very high86.7Confident11 Ų1168.5 Ų68.56%0.05636%0.356CS..EExtended strand (participates in β ladder)trans-90.6115.5-179.8-65.2175.6000110.1R154 F157 G161 C166 V183 Y185R154-I163 HydrophobicContact CG-CD1 4.48Å; F157-I163 HydrophobicContact CB-CD1 3.65Å; G161-I163 PolarHBondContact O-N 3.06Å; I163-C166 HydrophobicContact CG2-CB 3.92Å; I163-V183 HydrophobicContact CD1-CG1 3.81Å; I163-V183 HydrophobicContact CG1-CG1 3.81Å; I163-V183 HydrophobicContact CG2-CG1 4.09Å; I163-Y185 HydrophobicContact CG1-CD1 4.14Å; I163-Y185 HydrophobicContact CG1-CE1 3.84Å
164E89Confident86.1Confident125 Ų12572.2 Ų72.258%0.58438%0.379SS*.EExtended strand (participates in β ladder)trans-65.2-49.3166.8-170.9-147.1-124.600110.4N184 I186E164-N184 PolarHBondContact N-O 3.46Å; E164-N184 PolarHBondContact OE2-ND2 3.47Å; E164-I186 HydrophobicContact CB-CG1 3.9Å
165S85.4Confident85.3Confident62 Ų6268.3 Ų68.343%0.43438%0.378SS..EExtended strand (participates in β ladder)trans-148.9122.3-173.4-170.60000112.9V183 N184S165-V183 CarbonylContact O-C 3.4Å; S165-V183 WeakPolarHBondContact O-CA 3.43Å; S165-N184 PolarHBondContact N-O 3Å; S165-N184 VanDerWaalsContact N-O 3.15Å; S165-N184 PolarHBondContact O-N 2.85Å
166C88.6Confident84.6Confident15 Ų1569.5 Ų69.510%0.10137%0.374CS..EExtended strand (participates in β ladder)trans-117.2136.5171.558.30000110.8R154 I163 F182R154-C166 VanDerWaalsContact CD-SG 3.59Å; R154-C166 VanDerWaalsContact CG-SG 3.53Å; I163-C166 HydrophobicContact CG2-CB 3.92Å; C166-F182 WeakPolarHBondContact CA-O 3.18Å
167K87.9Confident84.2Confident137 Ų13767.6 Ų67.660%0.59636%0.364SS*.EExtended strand (participates in β ladder)trans-143.3105.4-179.3-170.8170.1-170.6164.60111.6G181 F182K167-G181 CarbonylContact O-C 3.56Å; K167-G181 VanDerWaalsContact O-CA 3.32Å; K167-G181 WeakPolarHBondContact O-CA 3.33Å; K167-F182 PolarHBondContact N-O 2.84Å; K167-F182 PolarHBondContact O-N 3.29Å
168L89Confident83.8Confident9 Ų971.6 Ų71.65%0.04739%0.385CS..EExtended strand (participates in β ladder)trans-77.4126.1170.8-177.161.2000108.9L144 M148 Q150 F153 R170L144-L168 HydrophobicContact CD1-CD1 3.54Å; M148-L168 VanDerWaalsContact O-CD2 3.26Å; M148-L168 WeakPolarHBondContact O-CD2 3.31Å; Q150-L168 HydrophobicContact CB-CB 4.15Å; Q150-L168 HydrophobicContact CB-CD2 4.44Å; Q150-L168 HydrophobicContact CG-CB 4.18Å; F153-L168 HydrophobicContact CD1-CB 4.34Å; L168-R170 PolarHBondContact O-N 3.26Å
169V85.3Confident83.6Confident31 Ų3170 Ų7019%0.18837%0.369CS..EExtended strand (participates in β ladder)trans-86.1112.5-177.4-1670000109.8L178 Y180 F182V169-L178 HydrophobicContact CG1-CD1 3.83Å; V169-L178 WeakPolarHBondContact O-CB 3.24Å; V169-L178 PolarHBondContact O-N 2.64Å; V169-Y180 HydrophobicContact CB-CD2 4.13Å; V169-Y180 HydrophobicContact CB-CE2 3.8Å; V169-Y180 WeakPolarHBondContact CB-O 3.22Å; V169-Y180 HydrophobicContact CG1-CE2 4.08Å; V169-Y180 HydrophobicContact CG2-CD2 3.83Å; V169-Y180 HydrophobicContact CG2-CE2 3.56Å; V169-Y180 PolarHBondContact N-O 2.8Å; V169-F182 HydrophobicContact CG2-CD2 3.83Å; V169-F182 HydrophobicContact CG2-CE2 3.79Å
170R85Confident83.6Confident103 Ų10369.6 Ų69.639%0.38935%0.354SS..EExtended strand (participates in β ladder)trans-108.3149.4174.1-54.9-169.9173.3151.72.6110.4Q150 L168 G175 Q176 S177Q150-R170 VanDerWaalsContact N-NH2 3.12Å; L168-R170 PolarHBondContact O-N 3.26Å; R170-G175 WeakPolarHBondContact CD-O 3.49Å; R170-Q176 CarbonylContact C-O 3.6Å; R170-Q176 VanDerWaalsContact CA-O 3.28Å; R170-Q176 WeakPolarHBondContact CA-O 3.23Å; R170-S177 PolarHBondContact NE-OG 3.49Å
171D80.9Confident83.6Confident46 Ų4667.9 Ų67.925%0.24635%0.345CS..  trans-62.8133.7169.7171.226.7000110.2I173 T174 G175 Q176 L178D171-I173 PolarHBondContact O-N 3.49Å; D171-I173 PolarHBondContact OD1-N 3.09Å; D171-T174 WeakPolarHBondContact CB-OG1 3.25Å; D171-T174 VanDerWaalsContact OD2-CB 3.27Å; D171-T174 WeakPolarHBondContact OD2-CB 3.39Å; D171-T174 VanDerWaalsContact OD2-CG2 3.32Å; D171-T174 WeakPolarHBondContact OD2-CG2 3.23Å; D171-T174 PolarHBondContact OD2-N 3.25Å; D171-T174 PolarHBondContact OD2-OG1 2.7Å; D171-G175 WeakPolarHBondContact O-CA 3.49Å; D171-G175 PolarHBondContact O-N 2.72Å; D171-Q176 PolarHBondContact N-O 3.36Å; D171-L178 HydrophobicContact CB-CD2 3.93Å
172K73.8Confident83.8Confident212 Ų21270.4 Ų70.492%0.92235%0.352SS*.THydrogen-bonded Turntrans-69.9-18.3178.1-64.6-172.3175.6-172.10113.5
173I73.6Confident83.9Confident107 Ų10763.7 Ų63.755%0.54932%0.321SS..THydrogen-bonded Turntrans-100.6-45.5-172.4-54.8177.8000112D171 K404D171-I173 PolarHBondContact O-N 3.49Å; D171-I173 PolarHBondContact OD1-N 3.09Å; I173-K404 PolarHBondContact O-NZ 2.86Å
174T76.3Confident83.8Confident78 Ų7864 Ų6448%0.47932%0.322SS..THydrogen-bonded Turntrans-93.9-21.8177.562.30000113.5D171 Q176D171-T174 WeakPolarHBondContact CB-OG1 3.25Å; D171-T174 VanDerWaalsContact OD2-CB 3.27Å; D171-T174 WeakPolarHBondContact OD2-CB 3.39Å; D171-T174 VanDerWaalsContact OD2-CG2 3.32Å; D171-T174 WeakPolarHBondContact OD2-CG2 3.23Å; D171-T174 PolarHBondContact OD2-N 3.25Å; D171-T174 PolarHBondContact OD2-OG1 2.7Å; T174-Q176 PolarHBondContact O-N 3.11Å; T174-Q176 PolarHBondContact OG1-N 2.86Å
175G74.5Confident83.9Confident45 Ų4558 Ų5846%0.46430%0.295SS..  trans76.7-2.5-171.800000114.4R170 D171R170-G175 WeakPolarHBondContact CD-O 3.49Å; D171-G175 WeakPolarHBondContact O-CA 3.49Å; D171-G175 PolarHBondContact O-N 2.72Å
176Q74.5Confident84.1Confident112 Ų11259.5 Ų59.552%0.52330%0.297SS..  trans-72.9142.4-178.9-66.7-171.7-500112R170 D171 T174 L178R170-Q176 CarbonylContact C-O 3.6Å; R170-Q176 VanDerWaalsContact CA-O 3.28Å; R170-Q176 WeakPolarHBondContact CA-O 3.23Å; D171-Q176 PolarHBondContact N-O 3.36Å; T174-Q176 PolarHBondContact O-N 3.11Å; T174-Q176 PolarHBondContact OG1-N 2.86Å; Q176-L178 PolarHBondContact O-N 3.47Å
177S81.8Confident84.1Confident4 Ų462.4 Ų62.43%0.02831%0.311CS..EExtended strand (participates in β ladder)trans-63.3127.2172.3-600000110.9Q146 M148 R170 G179Q146-S177 PolarHBondContact NE2-O 2.53Å; Q146-S177 WeakPolarHBondContact O-CB 3.28Å; M148-S177 PolarHBondContact O-OG 3.35Å; R170-S177 PolarHBondContact NE-OG 3.49Å; S177-G179 PolarHBondContact O-N 2.84Å; S177-G179 VanDerWaalsContact O-N 3.09Å
178L80.6Confident84.2Confident84 Ų8457.9 Ų57.944%0.4430%0.296SS..EExtended strand (participates in β ladder)trans-72.53178.6-63.3-175.8000113.2V169 D171 Q176 Y180V169-L178 HydrophobicContact CG1-CD1 3.83Å; V169-L178 WeakPolarHBondContact O-CB 3.24Å; V169-L178 PolarHBondContact O-N 2.64Å; D171-L178 HydrophobicContact CB-CD2 3.93Å; Q176-L178 PolarHBondContact O-N 3.47Å; L178-Y180 VanDerWaalsContact C-N 3.33Å; L178-Y180 HydrophobicContact CB-CD1 3.77Å; L178-Y180 HydrophobicContact CB-CE1 3.52Å; L178-Y180 HydrophobicContact CD1-CE1 3.79Å; L178-Y180 HydrophobicContact CG-CE1 4.32Å
179G83.6Confident84.2Confident7 Ų764.4 Ų64.47%0.07232%0.324CS..EExtended strand (participates in β ladder)trans7617.2-178.300000114.3Y143 L144 S177Y143-G179 CarbonylContact C-O 3.53Å; Y143-G179 WeakPolarHBondContact CA-O 3.41Å; Y143-G179 PolarHBondContact N-O 3.03Å; L144-G179 PolarHBondContact N-O 2.87Å; L144-G179 WeakPolarHBondContact O-CA 3.36Å; S177-G179 PolarHBondContact O-N 2.84Å; S177-G179 VanDerWaalsContact O-N 3.09Å
180Y88.2Confident84.5Confident81 Ų8164 Ų6432%0.31832%0.321SS..EExtended strand (participates in β ladder)trans-144.1155.9170.369.8-85000112.5V141 V169 L178 F182V141-Y180 CarbonylContact O-C 3.57Å; V141-Y180 WeakPolarHBondContact O-CA 3.17Å; V141-Y180 WeakPolarHBondContact O-CB 3.5Å; V169-Y180 HydrophobicContact CB-CD2 4.13Å; V169-Y180 HydrophobicContact CB-CE2 3.8Å; V169-Y180 WeakPolarHBondContact CB-O 3.22Å; V169-Y180 HydrophobicContact CG1-CE2 4.08Å; V169-Y180 HydrophobicContact CG2-CD2 3.83Å; V169-Y180 HydrophobicContact CG2-CE2 3.56Å; V169-Y180 PolarHBondContact N-O 2.8Å; L178-Y180 VanDerWaalsContact C-N 3.33Å; L178-Y180 HydrophobicContact CB-CD1 3.77Å; L178-Y180 HydrophobicContact CB-CE1 3.52Å; L178-Y180 HydrophobicContact CD1-CE1 3.79Å; L178-Y180 HydrophobicContact CG-CE1 4.32Å; Y180-F182 HydrophobicContact CD2-CE2 4.19Å; Y180-F182 AromaticContact CE2-CE2 3.99Å; Y180-F182 HydrophobicContact CE2-CE2 3.99Å; Y180-F182 HydrophobicContact CE2-CZ 4.38Å
181G89.9Confident84.7Confident0 Ų059.1 Ų59.10%030%0.302CS..EExtended strand (participates in β ladder)trans-149.2166.5-17900000111.9V141 K167V141-G181 PolarHBondContact N-O 2.88Å; V141-G181 PolarHBondContact O-N 3.28Å; K167-G181 CarbonylContact O-C 3.56Å; K167-G181 VanDerWaalsContact O-CA 3.32Å; K167-G181 WeakPolarHBondContact O-CA 3.33Å
182F90.9Very high85.2Confident69 Ų6961.8 Ų61.830%0.30331%0.313SS..EExtended strand (participates in β ladder)trans-119.3144.8175.9-62.9-85000110.2L139 I140 C166 K167 V169 Y180 A213L139-F182 WeakPolarHBondContact O-CA 3.25Å; I140-F182 HydrophobicContact CB-CD1 4Å; I140-F182 HydrophobicContact CB-CE1 3.91Å; I140-F182 HydrophobicContact CD1-CE1 3.73Å; I140-F182 HydrophobicContact CD1-CZ 3.93Å; I140-F182 HydrophobicContact CG1-CD1 4.08Å; I140-F182 HydrophobicContact CG1-CE1 3.75Å; I140-F182 HydrophobicContact CG1-CZ 4.26Å; C166-F182 WeakPolarHBondContact CA-O 3.18Å; K167-F182 PolarHBondContact N-O 2.84Å; K167-F182 PolarHBondContact O-N 3.29Å; V169-F182 HydrophobicContact CG2-CD2 3.83Å; V169-F182 HydrophobicContact CG2-CE2 3.79Å; Y180-F182 HydrophobicContact CD2-CE2 4.19Å; Y180-F182 AromaticContact CE2-CE2 3.99Å; Y180-F182 HydrophobicContact CE2-CE2 3.99Å; Y180-F182 HydrophobicContact CE2-CZ 4.38Å; F182-A213 HydrophobicContact CD1-CB 3.96Å; F182-A213 HydrophobicContact CE1-CB 4.22Å
183V91.4Very high86Confident0 Ų056.8 Ų56.80%029%0.291CS..EExtended strand (participates in β ladder)trans-137121.3174.9-177.20000107.9L139 V141 F153 F157 I163 S165 Y185L139-V183 PolarHBondContact N-O 3.11Å; L139-V183 PolarHBondContact O-N 3.46Å; V141-V183 HydrophobicContact CG2-CG2 4.45Å; F153-V183 HydrophobicContact CE1-CG2 3.6Å; F153-V183 HydrophobicContact CE2-CG2 4.46Å; F153-V183 HydrophobicContact CZ-CG2 3.53Å; F157-V183 HydrophobicContact CB-CG1 4.27Å; F157-V183 HydrophobicContact CB-CG2 4.29Å; F157-V183 HydrophobicContact CD1-CG2 4.1Å; F157-V183 HydrophobicContact CD2-CG2 4.44Å; F157-V183 HydrophobicContact CG-CG2 4Å; I163-V183 HydrophobicContact CD1-CG1 3.81Å; I163-V183 HydrophobicContact CG1-CG1 3.81Å; I163-V183 HydrophobicContact CG2-CG1 4.09Å; S165-V183 CarbonylContact O-C 3.4Å; S165-V183 WeakPolarHBondContact O-CA 3.43Å; V183-Y185 HydrophobicContact CG1-CD2 4.07Å; V183-Y185 HydrophobicContact CG1-CE2 3.73Å
184N90.4Very high86.8Confident16 Ų1651.7 Ų51.79%0.08627%0.265CS..EExtended strand (participates in β ladder)trans-102.3122.9166.8-16333.6000108.6T137 N138 E164 S165T137-N184 WeakPolarHBondContact CB-OD1 3.3Å; T137-N184 PolarHBondContact O-OD1 3.07Å; T137-N184 PolarHBondContact OG1-OD1 3.07Å; T137-N184 VanDerWaalsContact OG1-OD1 3.1Å; N138-N184 WeakPolarHBondContact CA-OD1 3.36Å; N138-N184 PolarHBondContact N-OD1 3.46Å; N138-N184 VanDerWaalsContact N-OD1 3.15Å; N138-N184 PolarHBondContact ND2-OD1 2.93Å; N138-N184 PolarHBondContact OD1-OD1 3.34Å; E164-N184 PolarHBondContact N-O 3.46Å; E164-N184 PolarHBondContact OE2-ND2 3.47Å; S165-N184 PolarHBondContact N-O 3Å; S165-N184 VanDerWaalsContact N-O 3.15Å; S165-N184 PolarHBondContact O-N 2.85Å
185Y91.1Very high87.5Confident1 Ų149 Ų490%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-86.4157170.1-73.7-88.4000110.6T137 L139 F157 E162 I163 V183 D187 D190 A191 A194T137-Y185 WeakPolarHBondContact CB-O 3.3Å; T137-Y185 WeakPolarHBondContact CG2-O 3.49Å; T137-Y185 PolarHBondContact O-N 3.03Å; T137-Y185 VanDerWaalsContact O-N 3.12Å; L139-Y185 HydrophobicContact CD1-CD2 4.22Å; L139-Y185 HydrophobicContact CD1-CE2 3.73Å; L139-Y185 HydrophobicContact CG-CD2 4.45Å; L139-Y185 HydrophobicContact CG-CE2 4.39Å; F157-Y185 WeakPolarHBondContact CB-OH 3.32Å; F157-Y185 PolarHBondContact O-OH 3.13Å; E162-Y185 WeakPolarHBondContact O-CA 3.3Å; E162-Y185 WeakPolarHBondContact O-CD1 3.43Å; I163-Y185 HydrophobicContact CG1-CD1 4.14Å; I163-Y185 HydrophobicContact CG1-CE1 3.84Å; V183-Y185 HydrophobicContact CG1-CD2 4.07Å; V183-Y185 HydrophobicContact CG1-CE2 3.73Å; Y185-D187 WeakPolarHBondContact CB-O 3.45Å; Y185-D190 HydrophobicContact CD1-CB 3.96Å; Y185-D190 HydrophobicContact CE1-CB 4.39Å; Y185-D190 HydrophobicContact CG-CB 4.39Å; Y185-A191 HydrophobicContact CD2-CB 3.7Å; Y185-A191 HydrophobicContact CE2-CB 4.46Å; Y185-A191 HydrophobicContact CG-CB 4.27Å; Y185-A194 HydrophobicContact CE2-CB 3.7Å; Y185-A194 WeakPolarHBondContact OH-CB 3.36Å
186I88.8Confident88.3Confident93 Ų9352.7 Ų52.748%0.47726%0.257SS..SBendtrans-68.7-45.1166.5-58.6-179.4000109.2E162 E164E162-I186 HydrophobicContact CB-CD1 4.14Å; E162-I186 HydrophobicContact CG-CD1 3.67Å; E162-I186 HydrophobicContact CG-CG1 4.4Å; E162-I186 PolarHBondContact O-N 2.85Å; E164-I186 HydrophobicContact CB-CG1 3.9Å
187D89.3Confident88.9Confident76 Ų7651.7 Ų51.741%0.40626%0.259SS..SBendtrans-99.1125.5-178.1-111.3-62.8000112.4Y185 K189 D190 A191Y185-D187 WeakPolarHBondContact CB-O 3.45Å; D187-K189 PolarHBondContact O-N 2.79Å; D187-D190 HydrophobicContact CB-CB 4.29Å; D187-D190 PolarHBondContact O-N 2.8Å; D187-D190 VanDerWaalsContact O-N 3.09Å; D187-A191 PolarHBondContact O-N 2.85Å
188P89Confident89.2Confident42 Ų4252 Ų5227%0.27326%0.26SS..Hα-helixtrans-66.5-22.9176.526.2-33.4000112.5K136 T137 D190 A191 E192K136-P188 HydrophobicContact CB-CB 3.98Å; T137-P188 HydrophobicContact CG2-CB 3.89Å; T137-P188 HydrophobicContact CG2-CG 4.34Å; P188-D190 VanDerWaalsContact C-N 3.29Å; P188-D190 PolarHBondContact O-N 2.77Å; P188-A191 PolarHBondContact O-N 3.27Å; P188-E192 PolarHBondContact O-N 2.87Å
189K90.1Very high89.6Confident145 Ų14551.7 Ų51.763%0.6326%0.258SS*.Hα-helixtrans-63.7-36.4173-65170.4-175.6162.50111.7D187 E192 K193D187-K189 PolarHBondContact O-N 2.79Å; K189-E192 PolarHBondContact O-N 2.93Å; K189-K193 WeakPolarHBondContact O-CG 3.29Å; K189-K193 PolarHBondContact O-N 3Å
190D90.9Very high89.7Confident24 Ų2453.5 Ų53.513%0.12828%0.277CS..Hα-helixtrans-81.3-31-178.7-70-2.3000111.4G161 Y185 D187 P188 E192 K193 A194G161-D190 VanDerWaalsContact CA-OD2 3.25Å; G161-D190 WeakPolarHBondContact CA-OD2 3.36Å; Y185-D190 HydrophobicContact CD1-CB 3.96Å; Y185-D190 HydrophobicContact CE1-CB 4.39Å; Y185-D190 HydrophobicContact CG-CB 4.39Å; D187-D190 HydrophobicContact CB-CB 4.29Å; D187-D190 PolarHBondContact O-N 2.8Å; D187-D190 VanDerWaalsContact O-N 3.09Å; P188-D190 VanDerWaalsContact C-N 3.29Å; P188-D190 PolarHBondContact O-N 2.77Å; D190-E192 VanDerWaalsContact C-N 3.34Å; D190-K193 PolarHBondContact O-N 3.2Å; D190-K193 VanDerWaalsContact OD1-CE 3.31Å; D190-K193 WeakPolarHBondContact OD1-CE 3.12Å; D190-K193 IonicContact OD1-NZ 2.65Å; D190-K193 PolarHBondContact OD1-NZ 2.84Å; D190-A194 VanDerWaalsContact O-CB 3.24Å; D190-A194 WeakPolarHBondContact O-CB 3.48Å; D190-A194 PolarHBondContact O-N 2.93Å
191A89.7Confident89.7Confident0 Ų052.6 Ų52.60%028%0.277CS..Hα-helixtrans-59.5-42.716600000112.2K136 L139 Y185 D187 P188 A194 I195K136-A191 WeakPolarHBondContact O-CB 3.5Å; L139-A191 HydrophobicContact CD1-CB 4.36Å; L139-A191 HydrophobicContact CD2-CB 4Å; L139-A191 HydrophobicContact CG-CB 4.11Å; Y185-A191 HydrophobicContact CD2-CB 3.7Å; Y185-A191 HydrophobicContact CE2-CB 4.46Å; Y185-A191 HydrophobicContact CG-CB 4.27Å; D187-A191 PolarHBondContact O-N 2.85Å; P188-A191 PolarHBondContact O-N 3.27Å; A191-A194 PolarHBondContact O-N 2.77Å; A191-I195 WeakPolarHBondContact O-CG1 3.35Å; A191-I195 PolarHBondContact O-N 2.94Å
192E90.1Very high89.4Confident102 Ų10261.5 Ų61.548%0.47731%0.311SS..Hα-helixtrans-66.3-46.1175.4-177.7165.6-131.500112.5P188 K189 D190 A194 I195 N196P188-E192 PolarHBondContact O-N 2.87Å; K189-E192 PolarHBondContact O-N 2.93Å; D190-E192 VanDerWaalsContact C-N 3.34Å; E192-A194 VanDerWaalsContact C-N 3.27Å; E192-A194 PolarHBondContact O-N 2.99Å; E192-I195 PolarHBondContact O-N 2.88Å; E192-N196 PolarHBondContact O-N 3.01Å; E192-N196 PolarHBondContact O-ND2 2.84Å
193K91Very high89.1Confident107 Ų10759.8 Ų59.847%0.46531%0.305SS..Hα-helixtrans-53.8-45.9170.9-69.4171.1-164.9164.60111I160 K189 D190 I195 N196 T197I160-K193 HydrophobicContact CG2-CB 3.66Å; K189-K193 WeakPolarHBondContact O-CG 3.29Å; K189-K193 PolarHBondContact O-N 3Å; D190-K193 PolarHBondContact O-N 3.2Å; D190-K193 VanDerWaalsContact OD1-CE 3.31Å; D190-K193 WeakPolarHBondContact OD1-CE 3.12Å; D190-K193 IonicContact OD1-NZ 2.65Å; D190-K193 PolarHBondContact OD1-NZ 2.84Å; K193-I195 VanDerWaalsContact C-N 3.35Å; K193-I195 PolarHBondContact O-N 3.1Å; K193-N196 PolarHBondContact O-N 2.88Å; K193-N196 VanDerWaalsContact O-N 3.09Å; K193-T197 WeakPolarHBondContact O-CB 3.12Å; K193-T197 PolarHBondContact O-N 3.34Å; K193-T197 PolarHBondContact O-OG1 3.14Å
194A90.4Very high88.4Confident0 Ų065.1 Ų65.10%033%0.33CS..Hα-helixtrans-66.2-33.9-177.600000112.9L139 F157 I160 Y185 D190 A191 E192 L198L139-A194 HydrophobicContact CD1-CB 3.93Å; F157-A194 HydrophobicContact CD1-CB 4.44Å; I160-A194 HydrophobicContact CB-CB 4.32Å; I160-A194 HydrophobicContact CG1-CB 4.47Å; I160-A194 HydrophobicContact CG2-CB 3.95Å; Y185-A194 HydrophobicContact CE2-CB 3.7Å; Y185-A194 WeakPolarHBondContact OH-CB 3.36Å; D190-A194 VanDerWaalsContact O-CB 3.24Å; D190-A194 WeakPolarHBondContact O-CB 3.48Å; D190-A194 PolarHBondContact O-N 2.93Å; A191-A194 PolarHBondContact O-N 2.77Å; E192-A194 VanDerWaalsContact C-N 3.27Å; E192-A194 PolarHBondContact O-N 2.99Å; A194-L198 HydrophobicContact CB-CD1 4.45Å; A194-L198 VanDerWaalsContact O-CB 3.23Å; A194-L198 WeakPolarHBondContact O-CB 3.23Å; A194-L198 PolarHBondContact O-N 3.36Å
195I91.2Very high87.9Confident21 Ų2170.2 Ų70.211%0.10836%0.362CS..Hα-helixtrans-62.1-55166.5-66.5164.1000109.5L139 A191 E192 K193 T197 N199 V210 Y212L139-I195 HydrophobicContact CD1-CG1 4.17Å; L139-I195 HydrophobicContact CD2-CD1 3.61Å; L139-I195 HydrophobicContact CD2-CG1 3.75Å; A191-I195 WeakPolarHBondContact O-CG1 3.35Å; A191-I195 PolarHBondContact O-N 2.94Å; E192-I195 PolarHBondContact O-N 2.88Å; K193-I195 VanDerWaalsContact C-N 3.35Å; K193-I195 PolarHBondContact O-N 3.1Å; I195-T197 VanDerWaalsContact C-N 3.28Å; I195-T197 PolarHBondContact O-N 3.2Å; I195-N199 HydrophobicContact CG2-CB 4.39Å; I195-N199 WeakPolarHBondContact O-CB 3.18Å; I195-N199 PolarHBondContact O-N 3.44Å; I195-V210 HydrophobicContact CG1-CG1 3.94Å; I195-Y212 HydrophobicContact CD1-CD1 3.7Å; I195-Y212 HydrophobicContact CD1-CD2 3.65Å; I195-Y212 HydrophobicContact CD1-CE1 3.47Å; I195-Y212 VanDerWaalsContact CD1-CE1 3.47Å; I195-Y212 HydrophobicContact CD1-CE2 3.43Å; I195-Y212 VanDerWaalsContact CD1-CE2 3.43Å; I195-Y212 HydrophobicContact CD1-CG 3.78Å
196N90.6Very high87.6Confident122 Ų12273.3 Ų73.365%0.65238%0.375SS*.Hα-helixtrans-65.9-26.3-171.7-68.7-30000114E192 K193E192-N196 PolarHBondContact O-N 3.01Å; E192-N196 PolarHBondContact O-ND2 2.84Å; K193-N196 PolarHBondContact O-N 2.88Å; K193-N196 VanDerWaalsContact O-N 3.09Å
197T88.1Confident87.5Confident92 Ų9272.6 Ų72.656%0.56438%0.376SS*.Hα-helixtrans-98.7-35.6-179.8-550000113.9I160 K193 I195I160-T197 HydrophobicContact CD1-CG2 4.13Å; K193-T197 WeakPolarHBondContact O-CB 3.12Å; K193-T197 PolarHBondContact O-N 3.34Å; K193-T197 PolarHBondContact O-OG1 3.14Å; I195-T197 VanDerWaalsContact C-N 3.28Å; I195-T197 PolarHBondContact O-N 3.2Å
198L87.5Confident87.5Confident9 Ų969.1 Ų69.15%0.04736%0.357CS..Hα-helixtrans-103.9-15.2-173.7-55.1174.3000113.9L156 F157 I160 A194 G200 L201 I208 V210L156-L198 HydrophobicContact CD1-CD2 4.38Å; F157-L198 HydrophobicContact CD1-CD1 3.56Å; F157-L198 HydrophobicContact CD2-CD1 4.23Å; F157-L198 HydrophobicContact CE1-CB 4.32Å; F157-L198 HydrophobicContact CE1-CD1 3.5Å; F157-L198 VanDerWaalsContact CE1-CD1 3.5Å; F157-L198 HydrophobicContact CE2-CD1 4.19Å; F157-L198 HydrophobicContact CG-CD1 3.91Å; F157-L198 HydrophobicContact CZ-CB 4.32Å; F157-L198 HydrophobicContact CZ-CD1 3.8Å; I160-L198 HydrophobicContact CD1-CD2 4.46Å; I160-L198 HydrophobicContact CD1-CG 4.44Å; I160-L198 HydrophobicContact CG1-CD1 3.81Å; I160-L198 HydrophobicContact CG1-CG 4.2Å; A194-L198 HydrophobicContact CB-CD1 4.45Å; A194-L198 VanDerWaalsContact O-CB 3.23Å; A194-L198 WeakPolarHBondContact O-CB 3.23Å; A194-L198 PolarHBondContact O-N 3.36Å; L198-G200 PolarHBondContact O-N 2.8Å; L198-L201 HydrophobicContact CD2-CD2 4.02Å; L198-L201 VanDerWaalsContact O-CB 3.3Å; L198-L201 WeakPolarHBondContact O-CB 3.48Å; L198-L201 PolarHBondContact O-N 2.84Å; L198-L201 VanDerWaalsContact O-N 3.17Å; L198-I208 VanDerWaalsContact O-CG1 3.3Å; L198-I208 WeakPolarHBondContact O-CG1 3.43Å; L198-V210 HydrophobicContact CB-CG2 4.02Å
199N89.7Confident87.6Confident78 Ų7872.6 Ų72.642%0.41737%0.367SS..THydrogen-bonded Turntrans-67.6123.4172.4-175.539.6000110.4I195 K209 V210I195-N199 HydrophobicContact CG2-CB 4.39Å; I195-N199 WeakPolarHBondContact O-CB 3.18Å; I195-N199 PolarHBondContact O-N 3.44Å; N199-K209 WeakPolarHBondContact OD1-CA 3.47Å; N199-V210 HydrophobicContact CB-CB 4.01Å; N199-V210 PolarHBondContact OD1-N 3.1Å; N199-V210 PolarHBondContact OD1-O 3.38Å
200G85.9Confident87.6Confident45 Ų4565.8 Ų65.846%0.46434%0.338SS..THydrogen-bonded Turntrans89.51.3-174.200000114.4L198 R202 T207 I208L198-G200 PolarHBondContact O-N 2.8Å; G200-R202 PolarHBondContact O-N 2.85Å; G200-T207 VanDerWaalsContact O-CG2 3.3Å; G200-T207 WeakPolarHBondContact O-CG2 3.41Å; G200-I208 WeakPolarHBondContact CA-O 3.5Å; G200-I208 PolarHBondContact N-O 3.28Å
201L86.8Confident87.4Confident62 Ų6266.4 Ų66.433%0.32534%0.344SS..  trans-65.8127.8175.1-174.270000110.7L156 L198 L203 I208L156-L201 HydrophobicContact CD1-CD2 4.12Å; L156-L201 HydrophobicContact CD2-CD2 4.24Å; L198-L201 HydrophobicContact CD2-CD2 4.02Å; L198-L201 VanDerWaalsContact O-CB 3.3Å; L198-L201 WeakPolarHBondContact O-CB 3.48Å; L198-L201 PolarHBondContact O-N 2.84Å; L198-L201 VanDerWaalsContact O-N 3.17Å; L201-L203 HydrophobicContact CD2-CD2 3.92Å; L201-L203 HydrophobicContact CG-CD2 4.19Å; L201-L203 PolarHBondContact O-N 3.13Å; L201-I208 HydrophobicContact CB-CD1 4.02Å; L201-I208 HydrophobicContact CB-CG1 4.03Å; L201-I208 HydrophobicContact CD2-CD1 4.35Å; L201-I208 PolarHBondContact O-N 3.12Å
202R85.6Confident87.4Confident187 Ų18770.6 Ų70.671%0.70636%0.361SS*.EExtended strand (participates in β ladder)trans-87.3108179.3-174.6178.5173.5175.40.2110.9G200 Q204 K206G200-R202 PolarHBondContact O-N 2.85Å; R202-Q204 PolarHBondContact NE-O 2.75Å; R202-K206 CarbonylContact C-O 3.51Å; R202-K206 WeakPolarHBondContact CA-O 3.45Å
203L83.3Confident86.9Confident34 Ų3466.1 Ų66.118%0.17834%0.341CS..EExtended strand (participates in β ladder)trans-102.1109.7172.5-60.3-173.7000109.7P145 M148 L156 L201 T205 K206 I208P145-L203 HydrophobicContact CG-CB 4.15Å; M148-L203 HydrophobicContact CE-CD1 3.93Å; M148-L203 HydrophobicContact SD-CD1 3.81Å; L156-L203 HydrophobicContact CD2-CD1 4.09Å; L201-L203 HydrophobicContact CD2-CD2 3.92Å; L201-L203 HydrophobicContact CG-CD2 4.19Å; L201-L203 PolarHBondContact O-N 3.13Å; L203-T205 PolarHBondContact O-N 2.62Å; L203-T205 VanDerWaalsContact O-N 3.13Å; L203-K206 CarbonylContact C-O 3.57Å; L203-K206 PolarHBondContact N-O 3.01Å; L203-K206 PolarHBondContact O-N 3.41Å; L203-K206 VanDerWaalsContact O-O 3.05Å; L203-I208 HydrophobicContact CB-CG2 4.27Å; L203-I208 HydrophobicContact CD1-CD1 4.34Å; L203-I208 HydrophobicContact CD1-CG2 3.74Å; L203-I208 HydrophobicContact CG-CG2 3.9Å
204Q78Confident86.1Confident111 Ų11166.4 Ų66.452%0.51934%0.339SS..THydrogen-bonded Turntrans56-112.4-179.4-53.1169.612.800111.8N147 R202N147-Q204 PolarHBondContact ND2-NE2 2.98Å; N147-Q204 VanDerWaalsContact ND2-NE2 3.2Å; N147-Q204 PolarHBondContact ND2-OE1 2.7Å; N147-Q204 PolarHBondContact OD1-NE2 2.81Å; N147-Q204 PolarHBondContact OD1-OE1 2.69Å; R202-Q204 PolarHBondContact NE-O 2.75Å
205T79.9Confident84.9Confident123 Ų12370.9 Ų70.976%0.75537%0.368SS*.THydrogen-bonded Turntrans-92.80.6-17953.80000114L203L203-T205 PolarHBondContact O-N 2.62Å; L203-T205 VanDerWaalsContact O-N 3.13Å
206K83.4Confident83.4Confident66 Ų6673.1 Ų73.129%0.28739%0.386SS..EExtended strand (participates in β ladder)trans-126.5153.6-176.8-58.4-173.8-172.3-179.90112.2Y143 L144 R202 L203Y143-K206 VanDerWaalsContact O-CB 3.23Å; Y143-K206 WeakPolarHBondContact O-CB 3.45Å; Y143-K206 WeakPolarHBondContact O-CD 3.33Å; L144-K206 WeakPolarHBondContact O-CD 3.46Å; L144-K206 PolarHBondContact O-NZ 2.93Å; R202-K206 CarbonylContact C-O 3.51Å; R202-K206 WeakPolarHBondContact CA-O 3.45Å; L203-K206 CarbonylContact C-O 3.57Å; L203-K206 PolarHBondContact N-O 3.01Å; L203-K206 PolarHBondContact O-N 3.41Å; L203-K206 VanDerWaalsContact O-O 3.05Å
207T87Confident81.8Confident79 Ų7969.6 Ų69.649%0.48537%0.371SS..EExtended strand (participates in β ladder)trans-105.7119.1170-55.80000108.3Y143 G200Y143-T207 WeakPolarHBondContact CB-O 3.36Å; G200-T207 VanDerWaalsContact O-CG2 3.3Å; G200-T207 WeakPolarHBondContact O-CG2 3.41Å
208I90.4Very high80.2Confident2 Ų269.2 Ų69.21%0.0138%0.377CS..  trans-75.9143.9-177.477.4-177.4000110.1V141 N142 L144 L156 F157 L198 G200 L201 L203 V210V141-I208 HydrophobicContact CG1-CB 4.29Å; V141-I208 HydrophobicContact CG1-CD1 4.29Å; N142-I208 WeakPolarHBondContact O-CA 3.31Å; L144-I208 HydrophobicContact CD2-CG2 4.01Å; L156-I208 HydrophobicContact CD2-CD1 4.48Å; F157-I208 HydrophobicContact CZ-CD1 4.34Å; L198-I208 VanDerWaalsContact O-CG1 3.3Å; L198-I208 WeakPolarHBondContact O-CG1 3.43Å; G200-I208 WeakPolarHBondContact CA-O 3.5Å; G200-I208 PolarHBondContact N-O 3.28Å; L201-I208 HydrophobicContact CB-CD1 4.02Å; L201-I208 HydrophobicContact CB-CG1 4.03Å; L201-I208 HydrophobicContact CD2-CD1 4.35Å; L201-I208 PolarHBondContact O-N 3.12Å; L203-I208 HydrophobicContact CB-CG2 4.27Å; L203-I208 HydrophobicContact CD1-CD1 4.34Å; L203-I208 HydrophobicContact CD1-CG2 3.74Å; L203-I208 HydrophobicContact CG-CG2 3.9Å; I208-V210 HydrophobicContact CD1-CG2 4.26Å; I208-V210 HydrophobicContact CG1-CG2 4.29Å
209K89.1Confident78.7Confident115 Ų11571.5 Ų71.550%0.539%0.394SS..EExtended strand (participates in β ladder)trans-113.7114.4173.9-176.2174.1-178.91750109.5V141 N142 Y143 N199V141-K209 WeakPolarHBondContact CA-O 3.47Å; N142-K209 HydrophobicContact CB-CB 4.45Å; N142-K209 PolarHBondContact N-O 3.38Å; N142-K209 PolarHBondContact O-N 3.15Å; Y143-K209 HydrophobicContact CD2-CB 3.89Å; Y143-K209 HydrophobicContact CE2-CB 4.15Å; N199-K209 WeakPolarHBondContact OD1-CA 3.47Å
210V90.3Very high77.4Confident2 Ų269 Ų691%0.01238%0.38CS..EExtended strand (participates in β ladder)trans-101.9135.7177.1-171.50000108.5L139 V141 F157 I195 L198 N199 I208L139-V210 HydrophobicContact CD1-CG1 3.78Å; V141-V210 HydrophobicContact CG1-CG2 4.13Å; V141-V210 HydrophobicContact CG2-CG1 4.4Å; V141-V210 HydrophobicContact CG2-CG2 4.32Å; F157-V210 HydrophobicContact CE1-CG1 4.08Å; F157-V210 HydrophobicContact CE1-CG2 3.99Å; F157-V210 HydrophobicContact CZ-CG2 3.82Å; I195-V210 HydrophobicContact CG1-CG1 3.94Å; L198-V210 HydrophobicContact CB-CG2 4.02Å; N199-V210 HydrophobicContact CB-CB 4.01Å; N199-V210 PolarHBondContact OD1-N 3.1Å; N199-V210 PolarHBondContact OD1-O 3.38Å; I208-V210 HydrophobicContact CD1-CG2 4.26Å; I208-V210 HydrophobicContact CG1-CG2 4.29Å
211S87.7Confident76.3Confident37 Ų3773.4 Ų73.426%0.25938%0.383SS..EExtended strand (participates in β ladder)trans-160.5155.3-178.548.90000109.9L139 I140 A213L139-S211 WeakPolarHBondContact CA-O 3.48Å; I140-S211 WeakPolarHBondContact CG2-OG 3.46Å; I140-S211 PolarHBondContact N-O 3.3Å; I140-S211 PolarHBondContact O-N 3.18Å; I140-S211 VanDerWaalsContact O-N 3.11Å; S211-A213 PolarHBondContact O-N 3.44Å
212Y88.4Confident75.4Confident89 Ų8973.3 Ų73.335%0.34938%0.382SS..EExtended strand (participates in β ladder)trans-51.9127.7173-62.2-69.7000111.5K136 N138 L139 I195K136-Y212 HydrophobicContact CB-CE1 4.3Å; K136-Y212 WeakPolarHBondContact O-CD1 3.47Å; K136-Y212 WeakPolarHBondContact O-CE1 3.48Å; N138-Y212 CarbonylContact O-C 3.51Å; N138-Y212 WeakPolarHBondContact O-CA 2.95Å; L139-Y212 HydrophobicContact CD2-CD1 3.75Å; L139-Y212 HydrophobicContact CD2-CE1 4.17Å; L139-Y212 HydrophobicContact CD2-CG 4.45Å; I195-Y212 HydrophobicContact CD1-CD1 3.7Å; I195-Y212 HydrophobicContact CD1-CD2 3.65Å; I195-Y212 HydrophobicContact CD1-CE1 3.47Å; I195-Y212 VanDerWaalsContact CD1-CE1 3.47Å; I195-Y212 HydrophobicContact CD1-CE2 3.43Å; I195-Y212 VanDerWaalsContact CD1-CE2 3.43Å; I195-Y212 HydrophobicContact CD1-CG 3.78Å
213A80.2Confident75.2Confident8 Ų864.4 Ų64.47%0.06635%0.349CS..PPolyproline II helixtrans-75.5134.8174.500000109.7N138 I140 F182 S211N138-A213 HydrophobicContact CB-CB 4.08Å; N138-A213 PolarHBondContact O-N 2.82Å; I140-A213 HydrophobicContact CB-CB 3.94Å; I140-A213 HydrophobicContact CG2-CB 4.32Å; F182-A213 HydrophobicContact CD1-CB 3.96Å; F182-A213 HydrophobicContact CE1-CB 4.22Å; S211-A213 PolarHBondContact O-N 3.44Å
214R73.9Confident75.4Confident113 Ų11364.3 Ų64.343%0.42635%0.349SS..PPolyproline II helixtrans-85.1136173.4-68.2171.3173.6-107.3-12.3109.3S216 D272R214-S216 PolarHBondContact O-N 3.44Å; R214-D272 IonicContact CZ-OD1 3.92Å; R214-D272 IonicContact CZ-OD2 2.72Å; R214-D272 IonicContact NH1-OD1 2.7Å; R214-D272 PolarHBondContact NH1-OD1 2.82Å; R214-D272 IonicContact NH1-OD2 3.77Å; R214-D272 PolarHBondContact NH1-OD2 3.01Å
215P66.4Low75.9Confident93 Ų9359 Ų5960%0.60432%0.324SS*.PPolyproline II helixtrans-56.6129.7177.122.5-32.9000110.3S217P215-S217 VanDerWaalsContact C-N 3.27Å; P215-S217 PolarHBondContact O-N 2.83Å
216S58.3Low76.4Confident69 Ų6957 Ų5748%0.48330%0.303SS..  trans-82.666.1-167.7-166.50000113.2R214 R221R214-S216 PolarHBondContact O-N 3.44Å; S216-R221 PolarHBondContact O-NH2 2.74Å; S216-R221 PolarHBondContact OG-NE 3.43Å; S216-R221 PolarHBondContact OG-NH2 3.1Å
217S57.6Low76.6Confident48 Ų4853.8 Ų53.834%0.33629%0.289SS..  trans-54.6158169.574.20000111.2P215 S219 I220P215-S217 VanDerWaalsContact C-N 3.27Å; P215-S217 PolarHBondContact O-N 2.83Å; S217-S219 PolarHBondContact O-N 2.83Å; S217-S219 PolarHBondContact OG-N 2.96Å; S217-S219 PolarHBondContact OG-OG 3.16Å; S217-I220 WeakPolarHBondContact O-CG1 3.49Å; S217-I220 PolarHBondContact O-N 3.28Å; S217-I220 WeakPolarHBondContact OG-CG2 3.49Å; S217-I220 PolarHBondContact OG-N 3.46Å
218A54Low76.7Confident83 Ų8351.2 Ų51.269%0.68627%0.274SS*.G310 helixtrans-60.5-34.1171.300000111.4I220 R221A218-I220 VanDerWaalsContact C-N 3.28Å; A218-I220 PolarHBondContact O-N 3.21Å; A218-R221 PolarHBondContact O-N 3.27Å
219S56.1Low76.4Confident57 Ų5752.1 Ų52.140%0.39928%0.284SS..G310 helixtrans-69-11.4-176.652.10000116S217 R274S217-S219 PolarHBondContact O-N 2.83Å; S217-S219 PolarHBondContact OG-N 2.96Å; S217-S219 PolarHBondContact OG-OG 3.16Å; S219-R274 WeakPolarHBondContact O-CB 3.32Å; S219-R274 PolarHBondContact O-N 3.49Å
220I63.7Low76.2Confident26 Ų2647 Ų4713%0.13326%0.263CS..G310 helixtrans-97-2175.975.3162.2000114.7S217 A218 R270 D272S217-I220 WeakPolarHBondContact O-CG1 3.49Å; S217-I220 PolarHBondContact O-N 3.28Å; S217-I220 WeakPolarHBondContact OG-CG2 3.49Å; S217-I220 PolarHBondContact OG-N 3.46Å; A218-I220 VanDerWaalsContact C-N 3.28Å; A218-I220 PolarHBondContact O-N 3.21Å; I220-R270 PolarHBondContact O-NH2 3.38Å; I220-D272 WeakPolarHBondContact CG2-O 3.32Å
221R61.8Low75.7Confident137 Ų13747.7 Ų47.752%0.51727%0.267SS..THydrogen-bonded Turntrans-86.1-37.3-170.3-59.5-172.9-172.8-160.62.3112.8S216 A218 N224S216-R221 PolarHBondContact O-NH2 2.74Å; S216-R221 PolarHBondContact OG-NE 3.43Å; S216-R221 PolarHBondContact OG-NH2 3.1Å; A218-R221 PolarHBondContact O-N 3.27Å; R221-N224 PolarHBondContact O-ND2 3.21Å
222D67.8Low75.3Confident60 Ų6054 Ų5432%0.32129%0.289SS..SBendtrans-111.118.3-175.9-49.4-45.1000112.7N224 F300 Q306D222-N224 PolarHBondContact O-N 3.44Å; D222-F300 VanDerWaalsContact O-CD1 3.28Å; D222-F300 WeakPolarHBondContact O-CD1 3.46Å; D222-F300 VanDerWaalsContact O-CE1 3.28Å; D222-F300 WeakPolarHBondContact O-CE1 3.44Å; D222-Q306 PolarHBondContact OD1-NE2 2.88Å
223A81.1Confident75Confident0 Ų055.4 Ų55.40%031%0.307CS..  trans-80.322.4175.800000113.7F271 R274A223-F271 HydrophobicContact CB-CB 4.31Å; A223-F271 WeakPolarHBondContact CB-O 3.37Å; A223-F271 PolarHBondContact O-N 3.34Å; A223-R274 HydrophobicContact CB-CB 4.48Å
224N87.9Confident75.1Confident33 Ų3356.2 Ų56.218%0.17631%0.31CS..EExtended strand (participates in β ladder)trans-92.8126.2177.9-56.3-54.2000109.6R221 D222 R270 A301R221-N224 PolarHBondContact O-ND2 3.21Å; D222-N224 PolarHBondContact O-N 3.44Å; N224-R270 VanDerWaalsContact OD1-CD 3.26Å; N224-R270 WeakPolarHBondContact OD1-CD 3.35Å; N224-R270 VanDerWaalsContact OD1-CG 3.24Å; N224-R270 WeakPolarHBondContact OD1-CG 3.36Å; N224-A301 HydrophobicContact CB-CB 3.94Å; N224-A301 PolarHBondContact O-N 2.92Å
225L88.8Confident75.7Confident0 Ų054.1 Ų54.10%031%0.31CS..EExtended strand (participates in β ladder)trans-108141.5174.6-58.8-172.5000111.3F243 F268 I269 F271 A277 A280 I281 V298 K299 F300L225-F243 HydrophobicContact CD1-CE1 4.35Å; L225-F268 WeakPolarHBondContact O-CA 3.24Å; L225-I269 PolarHBondContact N-O 3.29Å; L225-I269 PolarHBondContact O-N 3.31Å; L225-F271 HydrophobicContact CD1-CD2 3.89Å; L225-F271 HydrophobicContact CD1-CE2 3.63Å; L225-F271 HydrophobicContact CG-CD2 4.27Å; L225-F271 HydrophobicContact CG-CE2 4.44Å; L225-A277 HydrophobicContact CD1-CB 4.2Å; L225-A277 HydrophobicContact CD2-CB 3.89Å; L225-A277 HydrophobicContact CG-CB 4.05Å; L225-A280 HydrophobicContact CD1-CB 4.01Å; L225-I281 HydrophobicContact CD1-CG1 4.28Å; L225-I281 HydrophobicContact CD2-CD1 3.52Å; L225-I281 HydrophobicContact CD2-CG1 3.7Å; L225-V298 HydrophobicContact CB-CG1 4.28Å; L225-V298 HydrophobicContact CD1-CG1 3.7Å; L225-V298 HydrophobicContact CG-CG1 4.43Å; L225-K299 CarbonylContact C-O 3.57Å; L225-K299 WeakPolarHBondContact CA-O 3.45Å; L225-F300 HydrophobicContact CD2-CD1 3.98Å; L225-F300 HydrophobicContact CD2-CE1 4.22Å
226Y89.9Confident76.6Confident79 Ų7954.2 Ų54.231%0.3130%0.302SS..EExtended strand (participates in β ladder)trans-101.2126.5166.3174.7-92.4000107.7S228 V266 F268 K299Y226-S228 WeakPolarHBondContact CE1-OG 3.39Å; Y226-V266 HydrophobicContact CD2-CG1 4.21Å; Y226-V266 HydrophobicContact CE2-CG1 3.43Å; Y226-V266 VanDerWaalsContact CE2-CG1 3.43Å; Y226-F268 HydrophobicContact CD2-CD1 4.41Å; Y226-F268 AromaticContact CD2-CE1 3.75Å; Y226-F268 HydrophobicContact CD2-CE1 3.75Å; Y226-F268 HydrophobicContact CD2-CE2 4.39Å; Y226-F268 AromaticContact CD2-CZ 3.73Å; Y226-F268 HydrophobicContact CD2-CZ 3.73Å; Y226-F268 HydrophobicContact CE2-CZ 4.18Å; Y226-K299 PolarHBondContact N-O 2.61Å; Y226-K299 PolarHBondContact O-N 3.31Å
227V89.1Confident78Confident0 Ų058.6 Ų58.60%031%0.313CS..EExtended strand (participates in β ladder)trans-119.2127-178.7-169.90000107.7L230 L239 F243 V266 G267 I269 I296 T297 V298V227-L230 HydrophobicContact CB-CD1 4.37Å; V227-L230 HydrophobicContact CG1-CD1 4.05Å; V227-L230 HydrophobicContact CG1-CD2 3.8Å; V227-L230 HydrophobicContact CG1-CG 3.91Å; V227-L239 HydrophobicContact CG1-CD1 4.37Å; V227-F243 HydrophobicContact CB-CZ 4.44Å; V227-F243 HydrophobicContact CG1-CE2 4.19Å; V227-F243 HydrophobicContact CG1-CZ 3.84Å; V227-F243 HydrophobicContact CG2-CE1 4.03Å; V227-F243 HydrophobicContact CG2-CE2 4.32Å; V227-F243 HydrophobicContact CG2-CZ 3.64Å; V227-V266 CarbonylContact O-C 3.53Å; V227-V266 VanDerWaalsContact O-CA 3.29Å; V227-V266 WeakPolarHBondContact O-CA 3.26Å; V227-G267 PolarHBondContact N-O 3Å; V227-G267 PolarHBondContact O-N 3.48Å; V227-I269 HydrophobicContact CG2-CD1 3.84Å; V227-I269 HydrophobicContact CG2-CG1 4.11Å; V227-I296 HydrophobicContact CG1-CG2 3.58Å; V227-T297 WeakPolarHBondContact CA-O 3.28Å; V227-V298 HydrophobicContact CG1-CG2 4.48Å; V227-V298 HydrophobicContact CG2-CG1 4.48Å
228S88Confident79.4Confident24 Ų2460.7 Ų60.717%0.16832%0.317CS..EExtended strand (participates in β ladder)trans-138.1156.317856.80000111.5Y226 G265 I296 T297Y226-S228 WeakPolarHBondContact CE1-OG 3.39Å; S228-G265 CarbonylContact C-O 3.51Å; S228-G265 WeakPolarHBondContact CA-O 3.13Å; S228-I296 CarbonylContact O-C 3.53Å; S228-I296 WeakPolarHBondContact O-CA 3.38Å; S228-T297 PolarHBondContact N-O 3.43Å; S228-T297 PolarHBondContact O-N 2.88Å
229G83.6Confident81Confident22 Ų2256.8 Ų56.823%0.22729%0.285CS..  trans85.916.3-169.400000112.8G265G229-G265 PolarHBondContact N-O 3.15Å
230L84.9Confident82.5Confident8 Ų858.1 Ų58.14%0.04229%0.285CS..  trans-68.6140.3172-64.3172.8000110V227 M234 L239 G265 I296V227-L230 HydrophobicContact CB-CD1 4.37Å; V227-L230 HydrophobicContact CG1-CD1 4.05Å; V227-L230 HydrophobicContact CG1-CD2 3.8Å; V227-L230 HydrophobicContact CG1-CG 3.91Å; L230-M234 HydrophobicContact CB-CB 4.46Å; L230-M234 HydrophobicContact CD2-CG 4.44Å; L230-L239 HydrophobicContact CD1-CD1 3.77Å; L230-L239 HydrophobicContact CD1-CD2 3.92Å; L230-L239 HydrophobicContact CD1-CG 4.46Å; L230-L239 HydrophobicContact CD2-CD1 3.66Å; L230-L239 HydrophobicContact CG-CD1 4.38Å; L230-G265 PolarHBondContact N-O 2.75Å; L230-G265 WeakPolarHBondContact O-CA 3.34Å; L230-I296 HydrophobicContact CD2-CD1 3.71Å; L230-I296 HydrophobicContact CD2-CG1 4Å
231P80.7Confident83.7Confident15 Ų1563.3 Ų63.310%0.09731%0.308CS..  trans-65.2149.6175.319.8-20.9000110.7T233 M234 A292P231-T233 PolarHBondContact O-N 3.2Å; P231-M234 HydrophobicContact CG-CB 3.99Å; P231-M234 HydrophobicContact CG-SD 4.1Å; P231-M234 WeakPolarHBondContact O-CB 3.42Å; P231-M234 PolarHBondContact O-N 2.86Å; P231-A292 HydrophobicContact CB-CB 4.15Å; P231-A292 HydrophobicContact CG-CB 4.06Å
232K79.9Confident84.8Confident170 Ų17058.7 Ų58.774%0.73929%0.294SS*.THydrogen-bonded Turntrans-62.3-26.4-176.7-68-174.9176.5178.60113.2S263K232-S263 VanDerWaalsContact O-CB 3.31Å; K232-S263 WeakPolarHBondContact O-CB 3.35Å; K232-S263 PolarHBondContact O-OG 3.36Å; K232-S263 VanDerWaalsContact O-OG 3.07Å
233T80.8Confident85.7Confident118 Ų11855.8 Ų55.872%0.72428%0.278SS*.THydrogen-bonded Turntrans-76.6-15.817546.40000114P231 T235P231-T233 PolarHBondContact O-N 3.2Å; T233-T235 PolarHBondContact O-N 2.82Å
234M82.4Confident86Confident25 Ų2558.8 Ų58.812%0.12330%0.299CS..  trans-63.6121.7-175.6-160.380.8174.300111.1L230 P231 E238 L242 I254L230-M234 HydrophobicContact CB-CB 4.46Å; L230-M234 HydrophobicContact CD2-CG 4.44Å; P231-M234 HydrophobicContact CG-CB 3.99Å; P231-M234 HydrophobicContact CG-SD 4.1Å; P231-M234 WeakPolarHBondContact O-CB 3.42Å; P231-M234 PolarHBondContact O-N 2.86Å; M234-E238 HydrophobicContact CE-CB 3.8Å; M234-E238 HydrophobicContact SD-CB 4.17Å; M234-L242 HydrophobicContact CE-CD2 4.13Å; M234-I254 WeakPolarHBondContact O-CD1 3.42Å
235T86.5Confident86Confident69 Ų6963.3 Ų63.342%0.42332%0.319SS..  trans-84.5160.7173.9690000111.7T233 K237 E238 L239 I254T233-T235 PolarHBondContact O-N 2.82Å; T235-K237 PolarHBondContact O-N 3.45Å; T235-E238 WeakPolarHBondContact CA-OE2 3.4Å; T235-E238 VanDerWaalsContact CB-OE2 3.23Å; T235-E238 WeakPolarHBondContact CB-OE2 3.41Å; T235-E238 WeakPolarHBondContact CG2-OE2 3.33Å; T235-E238 PolarHBondContact N-OE2 2.9Å; T235-E238 PolarHBondContact O-N 2.94Å; T235-E238 VanDerWaalsContact OG1-CD 3.31Å; T235-E238 WeakPolarHBondContact OG1-CG 3.17Å; T235-E238 PolarHBondContact OG1-N 2.64Å; T235-E238 PolarHBondContact OG1-OE2 3.35Å; T235-L239 WeakPolarHBondContact O-CB 3.47Å; T235-L239 PolarHBondContact O-N 2.78Å; T235-I254 VanDerWaalsContact C-CD1 3.49Å
236Q86.3Confident85.9Confident96 Ų9666.4 Ų66.445%0.44933%0.331SS..Hα-helixtrans-58.6-33.4173.4179.7177.5-20.200112.2E240 S252Q236-E240 WeakPolarHBondContact O-CB 3.41Å; Q236-E240 PolarHBondContact O-N 2.78Å; Q236-S252 VanDerWaalsContact CG-OG 3.23Å; Q236-S252 WeakPolarHBondContact CG-OG 3.46Å; Q236-S252 PolarHBondContact NE2-O 3.22Å; Q236-S252 PolarHBondContact NE2-OG 2.76Å
237K87.3Confident85.7Confident161 Ų16163.5 Ų63.570%0.733%0.326SS*.Hα-helixtrans-70-43.9-179.7-172.9-175.3177.2-171.90111.9T235 L239 E240 Q241T235-K237 PolarHBondContact O-N 3.45Å; K237-L239 VanDerWaalsContact C-N 3.33Å; K237-E240 PolarHBondContact O-N 2.96Å; K237-Q241 WeakPolarHBondContact O-CB 3.41Å; K237-Q241 PolarHBondContact O-N 3.27Å
238E86.8Confident85.5Confident92 Ų9270.9 Ų70.943%0.4335%0.354SS..Hα-helixtrans-66.3-38.2176.1-67.2156131.700111.2M234 T235 E240 Q241 L242M234-E238 HydrophobicContact CE-CB 3.8Å; M234-E238 HydrophobicContact SD-CB 4.17Å; T235-E238 WeakPolarHBondContact CA-OE2 3.4Å; T235-E238 VanDerWaalsContact CB-OE2 3.23Å; T235-E238 WeakPolarHBondContact CB-OE2 3.41Å; T235-E238 WeakPolarHBondContact CG2-OE2 3.33Å; T235-E238 PolarHBondContact N-OE2 2.9Å; T235-E238 PolarHBondContact O-N 2.94Å; T235-E238 VanDerWaalsContact OG1-CD 3.31Å; T235-E238 WeakPolarHBondContact OG1-CG 3.17Å; T235-E238 PolarHBondContact OG1-N 2.64Å; T235-E238 PolarHBondContact OG1-OE2 3.35Å; E238-E240 VanDerWaalsContact C-N 3.34Å; E238-Q241 PolarHBondContact O-N 3.47Å; E238-L242 WeakPolarHBondContact O-CB 3.41Å; E238-L242 PolarHBondContact O-N 3.19Å
239L87.1Confident85.5Confident0 Ų071 Ų710%035%0.352CS..Hα-helixtrans-61.5-43.3173.8-177.865.4000111.5V227 L230 T235 K237 F243 I254 I269V227-L239 HydrophobicContact CG1-CD1 4.37Å; L230-L239 HydrophobicContact CD1-CD1 3.77Å; L230-L239 HydrophobicContact CD1-CD2 3.92Å; L230-L239 HydrophobicContact CD1-CG 4.46Å; L230-L239 HydrophobicContact CD2-CD1 3.66Å; L230-L239 HydrophobicContact CG-CD1 4.38Å; T235-L239 WeakPolarHBondContact O-CB 3.47Å; T235-L239 PolarHBondContact O-N 2.78Å; K237-L239 VanDerWaalsContact C-N 3.33Å; L239-F243 HydrophobicContact CD1-CD2 3.88Å; L239-F243 HydrophobicContact CD1-CE2 3.65Å; L239-F243 WeakPolarHBondContact O-CD2 3.43Å; L239-F243 PolarHBondContact O-N 2.88Å; L239-I254 HydrophobicContact CB-CD1 4.44Å; L239-I254 HydrophobicContact CD2-CD1 4.17Å; L239-I254 HydrophobicContact CD2-CG1 3.73Å; L239-I269 HydrophobicContact CD1-CD1 3.89Å; L239-I269 HydrophobicContact CD2-CD1 4.19Å; L239-I269 HydrophobicContact CD2-CG1 4.2Å; L239-I269 HydrophobicContact CG-CD1 3.79Å; L239-I269 HydrophobicContact CG-CG1 4.29Å
240E88.9Confident85.6Confident85 Ų8573 Ų7340%0.39736%0.357SS..Hα-helixtrans-64.6-45.4176-166.4165.7123.900111.5Q236 K237 E238 L242 F243 S244 I249 S252Q236-E240 WeakPolarHBondContact O-CB 3.41Å; Q236-E240 PolarHBondContact O-N 2.78Å; K237-E240 PolarHBondContact O-N 2.96Å; E238-E240 VanDerWaalsContact C-N 3.34Å; E240-L242 PolarHBondContact O-N 3Å; E240-F243 PolarHBondContact O-N 3.04Å; E240-S244 VanDerWaalsContact O-CB 3.25Å; E240-S244 WeakPolarHBondContact O-CB 3.3Å; E240-S244 PolarHBondContact O-N 3.4Å; E240-S244 PolarHBondContact O-OG 3.41Å; E240-I249 HydrophobicContact CB-CD1 4.37Å; E240-I249 HydrophobicContact CG-CB 4.38Å; E240-I249 HydrophobicContact CG-CD1 3.79Å; E240-I249 HydrophobicContact CG-CG2 4.3Å; E240-I249 VanDerWaalsContact O-CD1 3.23Å; E240-I249 WeakPolarHBondContact O-CD1 3.34Å; E240-S252 VanDerWaalsContact OE2-CB 3.31Å; E240-S252 WeakPolarHBondContact OE2-CB 3.33Å; E240-S252 PolarHBondContact OE2-OG 2.86Å
241Q87.6Confident85.5Confident135 Ų13576.2 Ų76.263%0.63138%0.377SS*.Hα-helixtrans-61.2-46.1178.1-174.1171.7-18.500112.2K237 E238 F243 S244K237-Q241 WeakPolarHBondContact O-CB 3.41Å; K237-Q241 PolarHBondContact O-N 3.27Å; E238-Q241 PolarHBondContact O-N 3.47Å; Q241-F243 VanDerWaalsContact C-N 3.29Å; Q241-F243 PolarHBondContact O-N 3.46Å; Q241-S244 PolarHBondContact O-N 2.92Å; Q241-S244 PolarHBondContact O-OG 2.83Å
242L85.7Confident85.8Confident40 Ų4076 Ų7621%0.20938%0.376CS..Hα-helixtrans-60.9-35.8178.8179.563.8000112.8M234 E238 E240 Q245 L284 I296M234-L242 HydrophobicContact CE-CD2 4.13Å; E238-L242 WeakPolarHBondContact O-CB 3.41Å; E238-L242 PolarHBondContact O-N 3.19Å; E240-L242 PolarHBondContact O-N 3Å; L242-Q245 PolarHBondContact O-NE2 3.17Å; L242-L284 HydrophobicContact CD1-CD2 4.24Å; L242-L284 HydrophobicContact CG-CD1 4.49Å; L242-L284 HydrophobicContact CG-CD2 4.35Å; L242-I296 HydrophobicContact CD2-CD1 4.01Å
243F86.3Confident86.1Confident0 Ų076.1 Ų76.10%037%0.372CS..Hα-helixtrans-91.1-22.7-178.6-81.6-104.7000113.3L225 V227 L239 E240 Q241 Q245 Y246 I249 I269 F271 A280 L284 V298L225-F243 HydrophobicContact CD1-CE1 4.35Å; V227-F243 HydrophobicContact CB-CZ 4.44Å; V227-F243 HydrophobicContact CG1-CE2 4.19Å; V227-F243 HydrophobicContact CG1-CZ 3.84Å; V227-F243 HydrophobicContact CG2-CE1 4.03Å; V227-F243 HydrophobicContact CG2-CE2 4.32Å; V227-F243 HydrophobicContact CG2-CZ 3.64Å; L239-F243 HydrophobicContact CD1-CD2 3.88Å; L239-F243 HydrophobicContact CD1-CE2 3.65Å; L239-F243 WeakPolarHBondContact O-CD2 3.43Å; L239-F243 PolarHBondContact O-N 2.88Å; E240-F243 PolarHBondContact O-N 3.04Å; Q241-F243 VanDerWaalsContact C-N 3.29Å; Q241-F243 PolarHBondContact O-N 3.46Å; F243-Q245 PolarHBondContact O-N 2.74Å; F243-Q245 VanDerWaalsContact O-N 3.15Å; F243-Y246 PolarHBondContact O-N 2.97Å; F243-Y246 VanDerWaalsContact O-N 3.1Å; F243-I249 HydrophobicContact CB-CD1 3.68Å; F243-I269 HydrophobicContact CB-CD1 3.8Å; F243-I269 HydrophobicContact CD1-CD1 3.5Å; F243-I269 HydrophobicContact CD2-CD1 3.4Å; F243-I269 HydrophobicContact CE1-CD1 3.81Å; F243-I269 HydrophobicContact CE2-CD1 3.72Å; F243-I269 HydrophobicContact CG-CD1 3.27Å; F243-I269 HydrophobicContact CZ-CD1 3.91Å; F243-F271 HydrophobicContact CB-CE2 4.5Å; F243-F271 HydrophobicContact CB-CZ 3.95Å; F243-F271 AromaticContact CD1-CE2 3.98Å; F243-F271 HydrophobicContact CD1-CE2 3.98Å; F243-F271 HydrophobicContact CD1-CZ 4.02Å; F243-F271 WeakPolarHBondContact O-CZ 3.4Å; F243-A280 HydrophobicContact CD1-CB 4.22Å; F243-L284 HydrophobicContact CD1-CD1 3.49Å; F243-L284 VanDerWaalsContact CD1-CD1 3.49Å; F243-L284 HydrophobicContact CD2-CD1 3.75Å; F243-L284 HydrophobicContact CE1-CD1 3.43Å; F243-L284 VanDerWaalsContact CE1-CD1 3.43Å; F243-L284 HydrophobicContact CE2-CD1 3.68Å; F243-L284 HydrophobicContact CG-CD1 3.67Å; F243-L284 HydrophobicContact CZ-CB 4.42Å; F243-L284 HydrophobicContact CZ-CD1 3.53Å; F243-V298 HydrophobicContact CE1-CG1 3.89Å; F243-V298 HydrophobicContact CE1-CG2 4.02Å; F243-V298 HydrophobicContact CZ-CG1 4.33Å; F243-V298 HydrophobicContact CZ-CG2 3.73Å
244S88.4Confident86.5Confident63 Ų6371.7 Ų71.744%0.44134%0.343SS..Hα-helixtrans-63.3-19.5-178.767.80000114.8E240 Q241 Y246 G247E240-S244 VanDerWaalsContact O-CB 3.25Å; E240-S244 WeakPolarHBondContact O-CB 3.3Å; E240-S244 PolarHBondContact O-N 3.4Å; E240-S244 PolarHBondContact O-OG 3.41Å; Q241-S244 PolarHBondContact O-N 2.92Å; Q241-S244 PolarHBondContact O-OG 2.83Å; S244-Y246 PolarHBondContact O-N 2.91Å; S244-G247 WeakPolarHBondContact CA-O 3.35Å; S244-G247 PolarHBondContact O-N 2.94Å
245Q87.6Confident86.6Confident128 Ų12873 Ų7360%0.59835%0.351SS*.THydrogen-bonded Turntrans-67.8-21.1175.471.6-173.1-49.400113.1L242 F243L242-Q245 PolarHBondContact O-NE2 3.17Å; F243-Q245 PolarHBondContact O-N 2.74Å; F243-Q245 VanDerWaalsContact O-N 3.15Å
246Y86.3Confident86.6Confident64 Ų6473.7 Ų73.725%0.25135%0.354SS..THydrogen-bonded Turntrans-96.7-9.4179.6-62.5-81.8000113.6F243 S244 E276 A280 L284F243-Y246 PolarHBondContact O-N 2.97Å; F243-Y246 VanDerWaalsContact O-N 3.1Å; S244-Y246 PolarHBondContact O-N 2.91Å; Y246-E276 WeakPolarHBondContact O-CB 3.37Å; Y246-A280 HydrophobicContact CD2-CB 4.28Å; Y246-A280 HydrophobicContact CG-CB 4.02Å; Y246-L284 HydrophobicContact CD2-CD1 3.85Å; Y246-L284 HydrophobicContact CD2-CG 4.17Å; Y246-L284 HydrophobicContact CE2-CD1 3.56Å; Y246-L284 HydrophobicContact CE2-CD2 3.67Å; Y246-L284 HydrophobicContact CE2-CG 3.44Å; Y246-L284 VanDerWaalsContact CE2-CG 3.44Å
247G84.9Confident86.4Confident19 Ų1971.1 Ų71.120%0.19634%0.344CS..SBendtrans158.8179.3-176.900000114.6S244 I249 E276S244-G247 WeakPolarHBondContact CA-O 3.35Å; S244-G247 PolarHBondContact O-N 2.94Å; G247-I249 PolarHBondContact O-N 2.84Å; G247-E276 VanDerWaalsContact CA-OE2 3.28Å; G247-E276 WeakPolarHBondContact CA-OE2 3.4Å
248R85.8Confident85.8Confident155 Ų15572.6 Ų72.659%0.58535%0.353SS*.  trans-84.3116.8-174.7-176.4-177.9-65.8-106.12.6110.2F271 D272 E276R248-F271 CarbonylContact O-C 3.53Å; R248-F271 WeakPolarHBondContact O-CA 3.44Å; R248-D272 HydrophobicContact CB-CB 3.98Å; R248-D272 WeakPolarHBondContact O-CB 3.49Å; R248-D272 PolarHBondContact O-N 3.31Å; R248-E276 PolarHBondContact N-OE2 2.81Å
249I88.6Confident85.4Confident27 Ų2774.6 Ų74.614%0.13837%0.371CS..EExtended strand (participates in β ladder)trans-79.5135174.4-62.6168.7000109.7E240 F243 G247 I269 F271E240-I249 HydrophobicContact CB-CD1 4.37Å; E240-I249 HydrophobicContact CG-CB 4.38Å; E240-I249 HydrophobicContact CG-CD1 3.79Å; E240-I249 HydrophobicContact CG-CG2 4.3Å; E240-I249 VanDerWaalsContact O-CD1 3.23Å; E240-I249 WeakPolarHBondContact O-CD1 3.34Å; F243-I249 HydrophobicContact CB-CD1 3.68Å; G247-I249 PolarHBondContact O-N 2.84Å; I249-I269 HydrophobicContact CD1-CG2 4.03Å; I249-I269 HydrophobicContact CG1-CG2 3.89Å; I249-I269 HydrophobicContact CG2-CG2 3.97Å; I249-F271 HydrophobicContact CG1-CD1 4.46Å; I249-F271 HydrophobicContact CG1-CE1 4.11Å; I249-F271 HydrophobicContact CG1-CZ 4.26Å
250I84.1Confident84.9Confident63 Ų6379.9 Ų79.932%0.32340%0.404SS..EExtended strand (participates in β ladder)trans-98.6-40.5177.2-55-60.4000110.6R270 D272I250-R270 HydrophobicContact CB-CB 4.44Å; I250-R270 HydrophobicContact CB-CG 4.25Å; I250-R270 PolarHBondContact N-O 3.46Å; I250-D272 HydrophobicContact CD1-CB 3.94Å; I250-D272 HydrophobicContact CG1-CB 4.23Å
251T82.9Confident84.2Confident76 Ų7678.2 Ų78.247%0.46641%0.41SS..EExtended strand (participates in β ladder)trans-149.4125.2172.4560000110.8I269 R270T251-I269 CarbonylContact O-C 3.47Å; T251-I269 WeakPolarHBondContact O-CA 3.27Å; T251-R270 PolarHBondContact O-N 2.87Å; T251-R270 WeakPolarHBondContact OG1-CB 3.33Å
252S87.4Confident83.6Confident11 Ų1173.4 Ų73.48%0.07740%0.396CS..EExtended strand (participates in β ladder)trans-94.8150.816157.70000109.9Q236 E240 F268Q236-S252 VanDerWaalsContact CG-OG 3.23Å; Q236-S252 WeakPolarHBondContact CG-OG 3.46Å; Q236-S252 PolarHBondContact NE2-O 3.22Å; Q236-S252 PolarHBondContact NE2-OG 2.76Å; E240-S252 VanDerWaalsContact OE2-CB 3.31Å; E240-S252 WeakPolarHBondContact OE2-CB 3.33Å; E240-S252 PolarHBondContact OE2-OG 2.86Å; S252-F268 CarbonylContact C-O 3.51Å
253R86.5Confident83.3Confident171 Ų17172.9 Ų72.965%0.64540%0.396SS*.EExtended strand (participates in β ladder)trans-159.8133.1167.4-177.4174-178.2177.92.6111.1G267 F268R253-G267 CarbonylContact O-C 3.5Å; R253-G267 WeakPolarHBondContact O-CA 3.03Å; R253-F268 PolarHBondContact N-O 3.17Å; R253-F268 PolarHBondContact O-N 3.5Å
254I88.6Confident83.1Confident25 Ų2580.8 Ų80.813%0.12843%0.426CS..EExtended strand (participates in β ladder)trans-96144.7168-65.3-178.3000109.8M234 T235 L239M234-I254 WeakPolarHBondContact O-CD1 3.42Å; T235-I254 VanDerWaalsContact C-CD1 3.49Å; L239-I254 HydrophobicContact CB-CD1 4.44Å; L239-I254 HydrophobicContact CD2-CD1 4.17Å; L239-I254 HydrophobicContact CD2-CG1 3.73Å
255L85.8Confident82.8Confident54 Ų5478.2 Ų78.228%0.28341%0.41SS..EExtended strand (participates in β ladder)trans-88.2109.3168.5-98.560.3000109.3R264 V266 F268L255-R264 WeakPolarHBondContact O-CB 3.48Å; L255-R264 PolarHBondContact O-N 2.87Å; L255-V266 HydrophobicContact CB-CB 4.45Å; L255-V266 HydrophobicContact CD2-CG1 4.32Å; L255-V266 PolarHBondContact N-O 2.95Å; L255-F268 HydrophobicContact CD1-CD2 3.63Å; L255-F268 HydrophobicContact CD1-CE2 3.6Å; L255-F268 HydrophobicContact CD2-CE2 4Å; L255-F268 HydrophobicContact CG-CE2 4.46Å
256V85Confident82.8Confident82 Ų8273 Ų7350%0.49739%0.387SS..EExtended strand (participates in β ladder)trans-81.6151.9160.1-64.90000110
257D82.9Confident82.9Confident42 Ų4270 Ų7023%0.22538%0.375CS..  trans-73.6139.3166.6174.937.6000109.7V259 T260 G261 G262 R264D257-V259 PolarHBondContact OD1-N 3.24Å; D257-V259 PolarHBondContact OD2-N 2.95Å; D257-T260 WeakPolarHBondContact OD2-CB 3.15Å; D257-T260 WeakPolarHBondContact OD2-CG2 3.36Å; D257-T260 PolarHBondContact OD2-N 3.32Å; D257-T260 PolarHBondContact OD2-OG1 3.38Å; D257-G261 WeakPolarHBondContact O-CA 3.34Å; D257-G261 PolarHBondContact O-N 2.94Å; D257-G262 WeakPolarHBondContact CB-O 3.31Å; D257-G262 PolarHBondContact N-O 3.2Å; D257-R264 HydrophobicContact CB-CG 3.9Å
258Q74.8Confident83.2Confident193 Ų19372.8 Ų72.890%0.90238%0.382SS*.THydrogen-bonded Turntrans-80.9-20.2-177.9-69-178.1-2300112.7
259V77.6Confident83.4Confident133 Ų13365.6 Ų65.681%0.80635%0.354SS*.THydrogen-bonded Turntrans-89-48.2-179.2-174.80000111.2D257D257-V259 PolarHBondContact OD1-N 3.24Å; D257-V259 PolarHBondContact OD2-N 2.95Å
260T77.3Confident83.3Confident111 Ų11168.2 Ų68.268%0.68136%0.363SS*.THydrogen-bonded Turntrans-97.4-9.1-176.9620000114.4D257 G262D257-T260 WeakPolarHBondContact OD2-CB 3.15Å; D257-T260 WeakPolarHBondContact OD2-CG2 3.36Å; D257-T260 PolarHBondContact OD2-N 3.32Å; D257-T260 PolarHBondContact OD2-OG1 3.38Å; T260-G262 PolarHBondContact O-N 3.24Å; T260-G262 PolarHBondContact OG1-N 2.94Å
261G73.8Confident83.5Confident51 Ų5165.2 Ų65.253%0.52635%0.347SS..  trans69.4-9.5-172.100000114.9D257D257-G261 WeakPolarHBondContact O-CA 3.34Å; D257-G261 PolarHBondContact O-N 2.94Å
262G75.3Confident83.5Confident33 Ų3362.8 Ų62.834%0.3433%0.331SS..  trans-76142.7-173.900000113.6D257 T260 R264D257-G262 WeakPolarHBondContact CB-O 3.31Å; D257-G262 PolarHBondContact N-O 3.2Å; T260-G262 PolarHBondContact O-N 3.24Å; T260-G262 PolarHBondContact OG1-N 2.94Å; G262-R264 PolarHBondContact O-N 2.76Å
263S80.4Confident83.3Confident29 Ų2967 Ų6720%0.20335%0.348CS..EExtended strand (participates in β ladder)trans-53.9124.3172.3-57.40000111.6K232 G265K232-S263 VanDerWaalsContact O-CB 3.31Å; K232-S263 WeakPolarHBondContact O-CB 3.35Å; K232-S263 PolarHBondContact O-OG 3.36Å; K232-S263 VanDerWaalsContact O-OG 3.07Å; S263-G265 PolarHBondContact O-N 3.3Å; S263-G265 VanDerWaalsContact O-N 3.11Å
264R80.5Confident83.2Confident166 Ų16663 Ų6363%0.62633%0.333SS*.EExtended strand (participates in β ladder)trans-75.17.5179.1-64.8-173.962.4165.70.4114L255 D257 G262 V266L255-R264 WeakPolarHBondContact O-CB 3.48Å; L255-R264 PolarHBondContact O-N 2.87Å; D257-R264 HydrophobicContact CB-CG 3.9Å; G262-R264 PolarHBondContact O-N 2.76Å; R264-V266 PolarHBondContact O-N 2.97Å
265G81.9Confident83.1Confident10 Ų1067 Ų6710%0.10335%0.353CS..EExtended strand (participates in β ladder)trans63.422-17200000113.9S228 G229 L230 S263S228-G265 CarbonylContact C-O 3.51Å; S228-G265 WeakPolarHBondContact CA-O 3.13Å; G229-G265 PolarHBondContact N-O 3.15Å; L230-G265 PolarHBondContact N-O 2.75Å; L230-G265 WeakPolarHBondContact O-CA 3.34Å; S263-G265 PolarHBondContact O-N 3.3Å; S263-G265 VanDerWaalsContact O-N 3.11Å
266V87.6Confident83.3Confident19 Ų1965.4 Ų65.412%0.11535%0.345CS..EExtended strand (participates in β ladder)trans-129.7138-175.7172.50000109.9Y226 V227 L255 R264Y226-V266 HydrophobicContact CD2-CG1 4.21Å; Y226-V266 HydrophobicContact CE2-CG1 3.43Å; Y226-V266 VanDerWaalsContact CE2-CG1 3.43Å; V227-V266 CarbonylContact O-C 3.53Å; V227-V266 VanDerWaalsContact O-CA 3.29Å; V227-V266 WeakPolarHBondContact O-CA 3.26Å; L255-V266 HydrophobicContact CB-CB 4.45Å; L255-V266 HydrophobicContact CD2-CG1 4.32Å; L255-V266 PolarHBondContact N-O 2.95Å; R264-V266 PolarHBondContact O-N 2.97Å
267G89.4Confident83.4Confident0 Ų061.5 Ų61.50%032%0.321CS..EExtended strand (participates in β ladder)trans-141.4164.5174.400000112.7V227 R253V227-G267 PolarHBondContact N-O 3Å; V227-G267 PolarHBondContact O-N 3.48Å; R253-G267 CarbonylContact O-C 3.5Å; R253-G267 WeakPolarHBondContact O-CA 3.03Å
268F90.8Very high83.7Confident78 Ų7863.1 Ų63.134%0.34233%0.327SS..EExtended strand (participates in β ladder)trans-121.9136.7171.5-67.9-93.7000108.8L225 Y226 S252 R253 L255 A301L225-F268 WeakPolarHBondContact O-CA 3.24Å; Y226-F268 HydrophobicContact CD2-CD1 4.41Å; Y226-F268 AromaticContact CD2-CE1 3.75Å; Y226-F268 HydrophobicContact CD2-CE1 3.75Å; Y226-F268 HydrophobicContact CD2-CE2 4.39Å; Y226-F268 AromaticContact CD2-CZ 3.73Å; Y226-F268 HydrophobicContact CD2-CZ 3.73Å; Y226-F268 HydrophobicContact CE2-CZ 4.18Å; S252-F268 CarbonylContact C-O 3.51Å; R253-F268 PolarHBondContact N-O 3.17Å; R253-F268 PolarHBondContact O-N 3.5Å; L255-F268 HydrophobicContact CD1-CD2 3.63Å; L255-F268 HydrophobicContact CD1-CE2 3.6Å; L255-F268 HydrophobicContact CD2-CE2 4Å; L255-F268 HydrophobicContact CG-CE2 4.46Å; F268-A301 HydrophobicContact CD1-CB 3.84Å; F268-A301 HydrophobicContact CE1-CB 3.95Å
269I90.1Very high84.3Confident3 Ų359.2 Ų59.22%0.01531%0.309CS..EExtended strand (participates in β ladder)trans-130.1132.3177.2-56.8178.1000107.4L225 V227 L239 F243 I249 T251 F271L225-I269 PolarHBondContact N-O 3.29Å; L225-I269 PolarHBondContact O-N 3.31Å; V227-I269 HydrophobicContact CG2-CD1 3.84Å; V227-I269 HydrophobicContact CG2-CG1 4.11Å; L239-I269 HydrophobicContact CD1-CD1 3.89Å; L239-I269 HydrophobicContact CD2-CD1 4.19Å; L239-I269 HydrophobicContact CD2-CG1 4.2Å; L239-I269 HydrophobicContact CG-CD1 3.79Å; L239-I269 HydrophobicContact CG-CG1 4.29Å; F243-I269 HydrophobicContact CB-CD1 3.8Å; F243-I269 HydrophobicContact CD1-CD1 3.5Å; F243-I269 HydrophobicContact CD2-CD1 3.4Å; F243-I269 HydrophobicContact CE1-CD1 3.81Å; F243-I269 HydrophobicContact CE2-CD1 3.72Å; F243-I269 HydrophobicContact CG-CD1 3.27Å; F243-I269 HydrophobicContact CZ-CD1 3.91Å; I249-I269 HydrophobicContact CD1-CG2 4.03Å; I249-I269 HydrophobicContact CG1-CG2 3.89Å; I249-I269 HydrophobicContact CG2-CG2 3.97Å; T251-I269 CarbonylContact O-C 3.47Å; T251-I269 WeakPolarHBondContact O-CA 3.27Å; I269-F271 HydrophobicContact CG2-CD2 4.06Å; I269-F271 HydrophobicContact CG2-CE2 3.78Å; I269-F271 HydrophobicContact CG2-CZ 4.47Å
270R87.3Confident84.9Confident82 Ų8252.9 Ų52.931%0.30927%0.271SS..EExtended strand (participates in β ladder)trans-109121.2170.6-176.3172.9-173.21803.6109.2I220 N224 I250 T251I220-R270 PolarHBondContact O-NH2 3.38Å; N224-R270 VanDerWaalsContact OD1-CD 3.26Å; N224-R270 WeakPolarHBondContact OD1-CD 3.35Å; N224-R270 VanDerWaalsContact OD1-CG 3.24Å; N224-R270 WeakPolarHBondContact OD1-CG 3.36Å; I250-R270 HydrophobicContact CB-CB 4.44Å; I250-R270 HydrophobicContact CB-CG 4.25Å; I250-R270 PolarHBondContact N-O 3.46Å; T251-R270 PolarHBondContact O-N 2.87Å; T251-R270 WeakPolarHBondContact OG1-CB 3.33Å
271F87.8Confident85.4Confident0 Ų049.2 Ų49.20%025%0.247CC..EExtended strand (participates in β ladder)trans-85.4163.2169.8-80.2-91.3000111.6A223 L225 F243 R248 I249 I269 E276 A277 A280A223-F271 HydrophobicContact CB-CB 4.31Å; A223-F271 WeakPolarHBondContact CB-O 3.37Å; A223-F271 PolarHBondContact O-N 3.34Å; L225-F271 HydrophobicContact CD1-CD2 3.89Å; L225-F271 HydrophobicContact CD1-CE2 3.63Å; L225-F271 HydrophobicContact CG-CD2 4.27Å; L225-F271 HydrophobicContact CG-CE2 4.44Å; F243-F271 HydrophobicContact CB-CE2 4.5Å; F243-F271 HydrophobicContact CB-CZ 3.95Å; F243-F271 AromaticContact CD1-CE2 3.98Å; F243-F271 HydrophobicContact CD1-CE2 3.98Å; F243-F271 HydrophobicContact CD1-CZ 4.02Å; F243-F271 WeakPolarHBondContact O-CZ 3.4Å; R248-F271 CarbonylContact O-C 3.53Å; R248-F271 WeakPolarHBondContact O-CA 3.44Å; I249-F271 HydrophobicContact CG1-CD1 4.46Å; I249-F271 HydrophobicContact CG1-CE1 4.11Å; I249-F271 HydrophobicContact CG1-CZ 4.26Å; I269-F271 HydrophobicContact CG2-CD2 4.06Å; I269-F271 HydrophobicContact CG2-CE2 3.78Å; I269-F271 HydrophobicContact CG2-CZ 4.47Å; F271-E276 HydrophobicContact CB-CB 4.45Å; F271-E276 HydrophobicContact CD1-CB 3.85Å; F271-E276 HydrophobicContact CG-CB 4.38Å; F271-A277 HydrophobicContact CB-CB 4.11Å; F271-A277 HydrophobicContact CD2-CB 4.03Å; F271-A277 HydrophobicContact CG-CB 4.25Å; F271-A280 HydrophobicContact CE2-CB 3.86Å; F271-A280 HydrophobicContact CZ-CB 3.72Å
272D82.3Confident86.1Confident25 Ų2555.8 Ų55.813%0.13426%0.261CS..SBendtrans-67.5-46.9172.8-161.115.1000110.5R214 I220 R248 I250R214-D272 IonicContact CZ-OD1 3.92Å; R214-D272 IonicContact CZ-OD2 2.72Å; R214-D272 IonicContact NH1-OD1 2.7Å; R214-D272 PolarHBondContact NH1-OD1 2.82Å; R214-D272 IonicContact NH1-OD2 3.77Å; R214-D272 PolarHBondContact NH1-OD2 3.01Å; I220-D272 WeakPolarHBondContact CG2-O 3.32Å; R248-D272 HydrophobicContact CB-CB 3.98Å; R248-D272 WeakPolarHBondContact O-CB 3.49Å; R248-D272 PolarHBondContact O-N 3.31Å; I250-D272 HydrophobicContact CD1-CB 3.94Å; I250-D272 HydrophobicContact CG1-CB 4.23Å
273K83.9Confident86.4Confident99 Ų9956 Ų5643%0.4326%0.263SS..SBendtrans-117.5144.3179.9-50.9-170.5-162.892.60111.9I275 E276 A277K273-I275 PolarHBondContact O-N 3.49Å; K273-E276 HydrophobicContact CB-CB 4.45Å; K273-E276 HydrophobicContact CB-CG 4.12Å; K273-E276 WeakPolarHBondContact CD-OE1 3.46Å; K273-E276 WeakPolarHBondContact CE-OE1 3.45Å; K273-E276 WeakPolarHBondContact CG-OE1 3.34Å; K273-E276 IonicContact NZ-OE1 3.09Å; K273-E276 PolarHBondContact NZ-OE1 3.42Å; K273-E276 PolarHBondContact O-N 3.45Å; K273-A277 PolarHBondContact O-N 3.38Å
274R84.6Confident86.6Confident89 Ų8954.6 Ų54.634%0.33625%0.253SS..Hα-helixtrans-58.6-33.4171-173.2177.4175.4-70.2-18.5113.1S219 A223 A277 E278 F300S219-R274 WeakPolarHBondContact O-CB 3.32Å; S219-R274 PolarHBondContact O-N 3.49Å; A223-R274 HydrophobicContact CB-CB 4.48Å; R274-A277 WeakPolarHBondContact O-CB 3.47Å; R274-A277 PolarHBondContact O-N 3.45Å; R274-E278 IonicContact CZ-OE1 2.58Å; R274-E278 IonicContact CZ-OE2 2.72Å; R274-E278 IonicContact NH1-OE1 3.23Å; R274-E278 PolarHBondContact NH1-OE1 3.4Å; R274-E278 IonicContact NH1-OE2 2.75Å; R274-E278 PolarHBondContact NH1-OE2 3.41Å; R274-E278 IonicContact NH2-OE1 2.83Å; R274-E278 PolarHBondContact NH2-OE1 2.99Å; R274-E278 WeakPolarHBondContact O-CG 3.1Å; R274-E278 PolarHBondContact O-N 3.38Å; R274-F300 HydrophobicContact CG-CE1 4.15Å; R274-F300 HydrophobicContact CG-CZ 4.22Å
275I86.8Confident86.8Confident107 Ų10750.2 Ų50.255%0.54924%0.242SC..Hα-helixtrans-64.6-49.8178.8-60.2170.2000110.8K273 A277 E278 E279K273-I275 PolarHBondContact O-N 3.49Å; I275-A277 PolarHBondContact O-N 3.09Å; I275-E278 WeakPolarHBondContact O-CA 3.43Å; I275-E278 WeakPolarHBondContact O-CB 3.5Å; I275-E278 PolarHBondContact O-N 2.86Å; I275-E279 PolarHBondContact O-N 3.06Å
276E88.9Confident86.7Confident22 Ų2252 Ų5210%0.10326%0.261CS..Hα-helixtrans-55.3-36.5173.9-67.1167.5-154.200111.5Y246 G247 R248 F271 K273 A280Y246-E276 WeakPolarHBondContact O-CB 3.37Å; G247-E276 VanDerWaalsContact CA-OE2 3.28Å; G247-E276 WeakPolarHBondContact CA-OE2 3.4Å; R248-E276 PolarHBondContact N-OE2 2.81Å; F271-E276 HydrophobicContact CB-CB 4.45Å; F271-E276 HydrophobicContact CD1-CB 3.85Å; F271-E276 HydrophobicContact CG-CB 4.38Å; K273-E276 HydrophobicContact CB-CB 4.45Å; K273-E276 HydrophobicContact CB-CG 4.12Å; K273-E276 WeakPolarHBondContact CD-OE1 3.46Å; K273-E276 WeakPolarHBondContact CE-OE1 3.45Å; K273-E276 WeakPolarHBondContact CG-OE1 3.34Å; K273-E276 IonicContact NZ-OE1 3.09Å; K273-E276 PolarHBondContact NZ-OE1 3.42Å; K273-E276 PolarHBondContact O-N 3.45Å; E276-A280 VanDerWaalsContact O-CB 3.31Å; E276-A280 WeakPolarHBondContact O-CB 3.36Å; E276-A280 PolarHBondContact O-N 2.83Å
277A88Confident86.2Confident0 Ų055.6 Ų55.60%028%0.276CS..Hα-helixtrans-70-34.6174.800000113.4L225 F271 K273 R274 I275 I281 F300L225-A277 HydrophobicContact CD1-CB 4.2Å; L225-A277 HydrophobicContact CD2-CB 3.89Å; L225-A277 HydrophobicContact CG-CB 4.05Å; F271-A277 HydrophobicContact CB-CB 4.11Å; F271-A277 HydrophobicContact CD2-CB 4.03Å; F271-A277 HydrophobicContact CG-CB 4.25Å; K273-A277 PolarHBondContact O-N 3.38Å; R274-A277 WeakPolarHBondContact O-CB 3.47Å; R274-A277 PolarHBondContact O-N 3.45Å; I275-A277 PolarHBondContact O-N 3.09Å; A277-I281 VanDerWaalsContact O-CG1 3.27Å; A277-I281 WeakPolarHBondContact O-CG1 3.26Å; A277-I281 PolarHBondContact O-N 3.44Å; A277-F300 HydrophobicContact CB-CE1 4.38Å
278E88.3Confident85.4Confident76 Ų7662 Ų6236%0.35530%0.304SS..Hα-helixtrans-70.1-39.1174.3-72178.7131.600111.8R274 I275 I281 K282 F300R274-E278 IonicContact CZ-OE1 2.58Å; R274-E278 IonicContact CZ-OE2 2.72Å; R274-E278 IonicContact NH1-OE1 3.23Å; R274-E278 PolarHBondContact NH1-OE1 3.4Å; R274-E278 IonicContact NH1-OE2 2.75Å; R274-E278 PolarHBondContact NH1-OE2 3.41Å; R274-E278 IonicContact NH2-OE1 2.83Å; R274-E278 PolarHBondContact NH2-OE1 2.99Å; R274-E278 WeakPolarHBondContact O-CG 3.1Å; R274-E278 PolarHBondContact O-N 3.38Å; I275-E278 WeakPolarHBondContact O-CA 3.43Å; I275-E278 WeakPolarHBondContact O-CB 3.5Å; I275-E278 PolarHBondContact O-N 2.86Å; E278-I281 PolarHBondContact O-N 3.31Å; E278-K282 WeakPolarHBondContact O-CB 3.49Å; E278-K282 PolarHBondContact O-N 2.92Å; E278-F300 HydrophobicContact CG-CE2 4.11Å; E278-F300 HydrophobicContact CG-CZ 3.55Å
279E88.6Confident84.1Confident111 Ų11159.4 Ų59.452%0.51930%0.295SS..Hα-helixtrans-67.8-41.3174.4-65.9-174.9105.900111.4I275 K282 G283I275-E279 PolarHBondContact O-N 3.06Å; E279-K282 PolarHBondContact O-N 3.45Å; E279-G283 PolarHBondContact O-N 2.72Å
280A88.9Confident82.5Confident0 Ų065.6 Ų65.60%034%0.338CS..Hα-helixtrans-61.7-40.9171.900000112.8L225 F243 Y246 F271 E276 L284L225-A280 HydrophobicContact CD1-CB 4.01Å; F243-A280 HydrophobicContact CD1-CB 4.22Å; Y246-A280 HydrophobicContact CD2-CB 4.28Å; Y246-A280 HydrophobicContact CG-CB 4.02Å; F271-A280 HydrophobicContact CE2-CB 3.86Å; F271-A280 HydrophobicContact CZ-CB 3.72Å; E276-A280 VanDerWaalsContact O-CB 3.31Å; E276-A280 WeakPolarHBondContact O-CB 3.36Å; E276-A280 PolarHBondContact O-N 2.83Å; A280-L284 WeakPolarHBondContact O-CB 3.44Å; A280-L284 PolarHBondContact O-N 3.49Å
281I89.1Confident81.1Confident34 Ų3465 Ų6517%0.17436%0.358CS..Hα-helixtrans-59.1-51.7170.6-72161000109.8L225 A277 E278 G283 N285 V298 F300L225-I281 HydrophobicContact CD1-CG1 4.28Å; L225-I281 HydrophobicContact CD2-CD1 3.52Å; L225-I281 HydrophobicContact CD2-CG1 3.7Å; A277-I281 VanDerWaalsContact O-CG1 3.27Å; A277-I281 WeakPolarHBondContact O-CG1 3.26Å; A277-I281 PolarHBondContact O-N 3.44Å; E278-I281 PolarHBondContact O-N 3.31Å; I281-G283 VanDerWaalsContact C-N 3.3Å; I281-G283 PolarHBondContact O-N 2.75Å; I281-N285 HydrophobicContact CG2-CB 4.35Å; I281-N285 WeakPolarHBondContact O-CB 3.39Å; I281-N285 PolarHBondContact O-N 3.27Å; I281-V298 HydrophobicContact CG1-CB 4.43Å; I281-V298 HydrophobicContact CG1-CG1 3.82Å; I281-F300 HydrophobicContact CD1-CD1 4.32Å; I281-F300 HydrophobicContact CD1-CD2 3.71Å; I281-F300 HydrophobicContact CD1-CE1 4.21Å; I281-F300 HydrophobicContact CD1-CE2 3.59Å; I281-F300 HydrophobicContact CD1-CG 4.1Å; I281-F300 HydrophobicContact CD1-CZ 3.86Å
282K87.2Confident79.8Confident188 Ų18865.9 Ų65.982%0.81737%0.365SS*.Hα-helixtrans-63.8-33.2-174.4-171.6-178.8176.9-172.40113.1E278 E279E278-K282 WeakPolarHBondContact O-CB 3.49Å; E278-K282 PolarHBondContact O-N 2.92Å; E279-K282 PolarHBondContact O-N 3.45Å
283G83.3Confident78.8Confident37 Ų3768.7 Ų68.738%0.38139%0.392SS..Hα-helixtrans-84.8-40.6179.400000114.9E279 I281E279-G283 PolarHBondContact O-N 2.72Å; I281-G283 VanDerWaalsContact C-N 3.3Å; I281-G283 PolarHBondContact O-N 2.75Å
284L84.2Confident78Confident1 Ų170 Ų701%0.00540%0.4CS..Hα-helixtrans-102.1-19.5-170.2-62.9174.7000114.4L242 F243 Y246 A280 G286 Q287 V298L242-L284 HydrophobicContact CD1-CD2 4.24Å; L242-L284 HydrophobicContact CG-CD1 4.49Å; L242-L284 HydrophobicContact CG-CD2 4.35Å; F243-L284 HydrophobicContact CD1-CD1 3.49Å; F243-L284 VanDerWaalsContact CD1-CD1 3.49Å; F243-L284 HydrophobicContact CD2-CD1 3.75Å; F243-L284 HydrophobicContact CE1-CD1 3.43Å; F243-L284 VanDerWaalsContact CE1-CD1 3.43Å; F243-L284 HydrophobicContact CE2-CD1 3.68Å; F243-L284 HydrophobicContact CG-CD1 3.67Å; F243-L284 HydrophobicContact CZ-CB 4.42Å; F243-L284 HydrophobicContact CZ-CD1 3.53Å; Y246-L284 HydrophobicContact CD2-CD1 3.85Å; Y246-L284 HydrophobicContact CD2-CG 4.17Å; Y246-L284 HydrophobicContact CE2-CD1 3.56Å; Y246-L284 HydrophobicContact CE2-CD2 3.67Å; Y246-L284 HydrophobicContact CE2-CG 3.44Å; Y246-L284 VanDerWaalsContact CE2-CG 3.44Å; A280-L284 WeakPolarHBondContact O-CB 3.44Å; A280-L284 PolarHBondContact O-N 3.49Å; L284-G286 PolarHBondContact O-N 3.48Å; L284-Q287 WeakPolarHBondContact O-CB 3.31Å; L284-Q287 PolarHBondContact O-N 3.35Å; L284-Q287 VanDerWaalsContact O-N 3.1Å; L284-V298 HydrophobicContact CB-CG2 3.84Å
285N85.1Confident77.8Confident74 Ų7467.7 Ų67.740%0.39640%0.396SS..THydrogen-bonded Turntrans-71113.8-179.5-179.772.9000111.6I281 T297 V298I281-N285 HydrophobicContact CG2-CB 4.35Å; I281-N285 WeakPolarHBondContact O-CB 3.39Å; I281-N285 PolarHBondContact O-N 3.27Å; N285-T297 WeakPolarHBondContact OD1-CA 3.26Å; N285-V298 HydrophobicContact CB-CB 4.07Å; N285-V298 HydrophobicContact CB-CG2 4.48Å; N285-V298 PolarHBondContact OD1-N 2.83Å; N285-V298 PolarHBondContact OD1-O 3.4Å
286G79.1Confident77.8Confident48 Ų4862.7 Ų62.750%0.49537%0.37SS..THydrogen-bonded Turntrans101.3-9.3-174.700000113.6L284 I296L284-G286 PolarHBondContact O-N 3.48Å; G286-I296 WeakPolarHBondContact CA-O 3.39Å; G286-I296 PolarHBondContact N-O 3.33Å
287Q77.4Confident77.7Confident93 Ų9363.5 Ų63.544%0.43538%0.377SS..  trans-74133.2-179.5-162.918026.800111L284 P289 I296L284-Q287 WeakPolarHBondContact O-CB 3.31Å; L284-Q287 PolarHBondContact O-N 3.35Å; L284-Q287 VanDerWaalsContact O-N 3.1Å; Q287-P289 WeakPolarHBondContact O-CD 3.28Å; Q287-I296 PolarHBondContact O-N 3.4Å
288K72.8Confident77.7Confident135 Ų13563.6 Ų63.659%0.58738%0.377SS*.  trans-88.1109.6168.3-70.2-169.9174.9-155.30109.2A293 P295K288-A293 PolarHBondContact NZ-O 3.42Å; K288-P295 HydrophobicContact CG-CB 3.94Å
289P63.6Low77.7Confident23 Ų2366 Ų6615%0.14939%0.387CS..  trans-71.6154171.835-40.2000110Q287 G291 A292 I296Q287-P289 WeakPolarHBondContact O-CD 3.28Å; P289-G291 PolarHBondContact O-N 2.9Å; P289-A292 HydrophobicContact CG-CB 3.59Å; P289-A292 PolarHBondContact O-N 3.22Å; P289-A292 VanDerWaalsContact O-N 3.12Å; P289-I296 HydrophobicContact CB-CD1 4.13Å; P289-I296 HydrophobicContact CG-CD1 3.63Å; P289-I296 HydrophobicContact CG-CG1 3.91Å
290S55.2Low77.7Confident133 Ų13364.6 Ų64.693%0.9338%0.379SS*.THydrogen-bonded Turntrans-55.9109175.4-50.90000111
291G57.8Low77.4Confident70 Ų7065.5 Ų65.572%0.72239%0.387SS*.THydrogen-bonded Turntrans104.31.3178.900000116.6P289P289-G291 PolarHBondContact O-N 2.9Å
292A61.3Low76.5Confident19 Ų1969.3 Ų69.316%0.15741%0.407CS..  trans-94.3137.8168.300000112.4P231 P289 E294P231-A292 HydrophobicContact CB-CB 4.15Å; P231-A292 HydrophobicContact CG-CB 4.06Å; P289-A292 HydrophobicContact CG-CB 3.59Å; P289-A292 PolarHBondContact O-N 3.22Å; P289-A292 VanDerWaalsContact O-N 3.12Å; A292-E294 VanDerWaalsContact CB-O 3.3Å; A292-E294 WeakPolarHBondContact CB-O 3.28Å
293A60.7Low75.3Confident84 Ų8463.2 Ų63.269%0.69438%0.384SS*.SBendtrans-71.6-41.9169.100000111.4K288K288-A293 PolarHBondContact NZ-O 3.42Å
294E67.3Low73.8Confident126 Ų12666.1 Ų66.159%0.58940%0.396SS*.SBendtrans-92.3150.4179.5-65-55.4143.100112.1A292A292-E294 VanDerWaalsContact CB-O 3.3Å; A292-E294 WeakPolarHBondContact CB-O 3.28Å
295P81Confident72.2Confident40 Ų4070.7 Ų70.726%0.2643%0.428SS..PPolyproline II helixtrans-69.8141.9168.130.8-32.7000111K288 T297K288-P295 HydrophobicContact CG-CB 3.94Å; P295-T297 PolarHBondContact O-N 2.79Å
296I86.2Confident70.6Confident2 Ų270.2 Ų70.21%0.0142%0.423CS..PPolyproline II helixtrans-63.9125.8169.6-70.2173.6000108.5V227 S228 L230 L242 G286 Q287 P289 V298V227-I296 HydrophobicContact CG1-CG2 3.58Å; S228-I296 CarbonylContact O-C 3.53Å; S228-I296 WeakPolarHBondContact O-CA 3.38Å; L230-I296 HydrophobicContact CD2-CD1 3.71Å; L230-I296 HydrophobicContact CD2-CG1 4Å; L242-I296 HydrophobicContact CD2-CD1 4.01Å; G286-I296 WeakPolarHBondContact CA-O 3.39Å; G286-I296 PolarHBondContact N-O 3.33Å; Q287-I296 PolarHBondContact O-N 3.4Å; P289-I296 HydrophobicContact CB-CD1 4.13Å; P289-I296 HydrophobicContact CG-CD1 3.63Å; P289-I296 HydrophobicContact CG-CG1 3.91Å; I296-V298 HydrophobicContact CG2-CG2 3.56Å
297T86.6Confident69Low40 Ų4074 Ų7425%0.24543%0.426CS..EExtended strand (participates in β ladder)trans-99.5125.1165.6-640000108.7V227 S228 N285 P295 K299V227-T297 WeakPolarHBondContact CA-O 3.28Å; S228-T297 PolarHBondContact N-O 3.43Å; S228-T297 PolarHBondContact O-N 2.88Å; N285-T297 WeakPolarHBondContact OD1-CA 3.26Å; P295-T297 PolarHBondContact O-N 2.79Å; T297-K299 HydrophobicContact CG2-CD 3.83Å; T297-K299 VanDerWaalsContact CG2-CE 3.47Å; T297-K299 HydrophobicContact CG2-CG 4.02Å
298V89.4Confident67.8Low1 Ų174.2 Ų74.21%0.00643%0.434CS..EExtended strand (participates in β ladder)trans-118.1122.4176.8-169.20000108.9L225 V227 F243 I281 L284 N285 I296L225-V298 HydrophobicContact CB-CG1 4.28Å; L225-V298 HydrophobicContact CD1-CG1 3.7Å; L225-V298 HydrophobicContact CG-CG1 4.43Å; V227-V298 HydrophobicContact CG1-CG2 4.48Å; V227-V298 HydrophobicContact CG2-CG1 4.48Å; F243-V298 HydrophobicContact CE1-CG1 3.89Å; F243-V298 HydrophobicContact CE1-CG2 4.02Å; F243-V298 HydrophobicContact CZ-CG1 4.33Å; F243-V298 HydrophobicContact CZ-CG2 3.73Å; I281-V298 HydrophobicContact CG1-CB 4.43Å; I281-V298 HydrophobicContact CG1-CG1 3.82Å; L284-V298 HydrophobicContact CB-CG2 3.84Å; N285-V298 HydrophobicContact CB-CB 4.07Å; N285-V298 HydrophobicContact CB-CG2 4.48Å; N285-V298 PolarHBondContact OD1-N 2.83Å; N285-V298 PolarHBondContact OD1-O 3.4Å; I296-V298 HydrophobicContact CG2-CG2 3.56Å
299K88.2Confident66.5Low127 Ų12772 Ų7255%0.55244%0.435SS*.EExtended strand (participates in β ladder)trans-140.5163.2-178.4-69.3176178.2167.80110L225 Y226 T297 A301L225-K299 CarbonylContact C-O 3.57Å; L225-K299 WeakPolarHBondContact CA-O 3.45Å; Y226-K299 PolarHBondContact N-O 2.61Å; Y226-K299 PolarHBondContact O-N 3.31Å; T297-K299 HydrophobicContact CG2-CD 3.83Å; T297-K299 VanDerWaalsContact CG2-CE 3.47Å; T297-K299 HydrophobicContact CG2-CG 4.02Å; K299-A301 PolarHBondContact O-N 3.29Å
300F88.2Confident65.5Low82 Ų8277.1 Ų77.136%0.3646%0.457SS..EExtended strand (participates in β ladder)trans-63133.5169.2-75.7-71.5000111.3D222 L225 R274 A277 E278 I281 N302D222-F300 VanDerWaalsContact O-CD1 3.28Å; D222-F300 WeakPolarHBondContact O-CD1 3.46Å; D222-F300 VanDerWaalsContact O-CE1 3.28Å; D222-F300 WeakPolarHBondContact O-CE1 3.44Å; L225-F300 HydrophobicContact CD2-CD1 3.98Å; L225-F300 HydrophobicContact CD2-CE1 4.22Å; R274-F300 HydrophobicContact CG-CE1 4.15Å; R274-F300 HydrophobicContact CG-CZ 4.22Å; A277-F300 HydrophobicContact CB-CE1 4.38Å; E278-F300 HydrophobicContact CG-CE2 4.11Å; E278-F300 HydrophobicContact CG-CZ 3.55Å; I281-F300 HydrophobicContact CD1-CD1 4.32Å; I281-F300 HydrophobicContact CD1-CD2 3.71Å; I281-F300 HydrophobicContact CD1-CE1 4.21Å; I281-F300 HydrophobicContact CD1-CE2 3.59Å; I281-F300 HydrophobicContact CD1-CG 4.1Å; I281-F300 HydrophobicContact CD1-CZ 3.86Å; F300-N302 PolarHBondContact O-N 3.37Å
301A81.3Confident65.1Low19 Ų1974.3 Ų74.316%0.15744%0.442CS..  trans-79.9114.9176.900000110.7N224 F268 K299 N303N224-A301 HydrophobicContact CB-CB 3.94Å; N224-A301 PolarHBondContact O-N 2.92Å; F268-A301 HydrophobicContact CD1-CB 3.84Å; F268-A301 HydrophobicContact CE1-CB 3.95Å; K299-A301 PolarHBondContact O-N 3.29Å; A301-N303 PolarHBondContact O-N 3.09Å
302N71.6Confident64.9Low113 Ų11375.6 Ų75.660%0.60443%0.432SS*.  trans-68.7103.5171.1-174-31.2000109.6F300 K307F300-N302 PolarHBondContact O-N 3.37Å; N302-K307 VanDerWaalsContact OD1-CE 3.26Å; N302-K307 WeakPolarHBondContact OD1-CE 3.27Å; N302-K307 WeakPolarHBondContact OD1-CG 3.23Å
303N60.8Low64.2Low60 Ų6080.4 Ų80.432%0.32146%0.455SS..  trans-70.7120.8177.5-176.9-13.4000109.7A301 S305 Q306A301-N303 PolarHBondContact O-N 3.09Å; N303-S305 PolarHBondContact O-N 2.92Å; N303-S305 VanDerWaalsContact O-N 3.09Å; N303-S305 WeakPolarHBondContact OD1-CB 3.32Å; N303-S305 PolarHBondContact OD1-N 3.36Å; N303-S305 PolarHBondContact OD1-OG 2.79Å; N303-Q306 HydrophobicContact CB-CG 4.46Å; N303-Q306 PolarHBondContact O-N 3.43Å
304P52.8Low63.4Low99 Ų9981.1 Ų81.164%0.64346%0.455SS*.G310 helixtrans-55.7-30.2178.922.6-33.6000113.1Q306 K307P304-Q306 PolarHBondContact O-N 2.8Å; P304-K307 PolarHBondContact O-N 2.89Å
305S50.3Low62.5Low96 Ų9683.4 Ų83.467%0.67147%0.465SS*.G310 helixtrans-69-12.9176.1-52.80000115N303N303-S305 PolarHBondContact O-N 2.92Å; N303-S305 VanDerWaalsContact O-N 3.09Å; N303-S305 WeakPolarHBondContact OD1-CB 3.32Å; N303-S305 PolarHBondContact OD1-N 3.36Å; N303-S305 PolarHBondContact OD1-OG 2.79Å
306Q50.8Low60.7Low65 Ų6587.5 Ų87.530%0.30448%0.484SS..G310 helixtrans-96.5-14.3175.6-80.2-164.78.100114.1D222 N303 P304 T308 S309D222-Q306 PolarHBondContact OD1-NE2 2.88Å; N303-Q306 HydrophobicContact CB-CG 4.46Å; N303-Q306 PolarHBondContact O-N 3.43Å; P304-Q306 PolarHBondContact O-N 2.8Å; Q306-T308 PolarHBondContact O-N 2.79Å; Q306-S309 PolarHBondContact O-N 2.97Å
307K46.8Very low58.3Low127 Ų12797.2 Ų97.255%0.55252%0.522SS*.Hα-helixtrans-59.4-25.4-168.7-73.7-171.2175.1-174.10114.3N302 P304 S309N302-K307 VanDerWaalsContact OD1-CE 3.26Å; N302-K307 WeakPolarHBondContact OD1-CE 3.27Å; N302-K307 WeakPolarHBondContact OD1-CG 3.23Å; P304-K307 PolarHBondContact O-N 2.89Å; K307-S309 PolarHBondContact O-N 2.98Å
308T50.3Low56Low97 Ų97103.8 Ų103.860%0.59555%0.55SS**Hα-helixtrans-64-20175.3-41.80000113.8Q306Q306-T308 PolarHBondContact O-N 2.79Å
309S45.6Very low53.3Low89 Ų89108.8 Ų108.862%0.62259%0.585SS**Hα-helixtrans-104.6-43.4-171.7-60.80000115Q306 K307Q306-S309 PolarHBondContact O-N 2.97Å; K307-S309 PolarHBondContact O-N 2.98Å
310Q42.6Very low51.1Low130 Ų130108.9 Ų108.961%0.60760%0.599SS**Hα-helixtrans-74.5-28.6-174.5-76.5-163.35.200114.2L312 L313Q310-L312 PolarHBondContact O-N 3.37Å; Q310-L313 PolarHBondContact O-N 3.02Å; Q310-L313 VanDerWaalsContact O-N 3.1Å
311A48.6Very low48.5Very low75 Ų75112 Ų11262%0.6262%0.62SS**THydrogen-bonded Turntrans-61.5-16.3-176.100000114.5
312L52.8Low46.3Very low97 Ų97121.8 Ų121.851%0.50865%0.652SS.*THydrogen-bonded Turntrans-88.4-20.5179.2-65.7171.8000113.9Q310Q310-L312 PolarHBondContact O-N 3.37Å
313L47.3Very low44.5Very low120 Ų120128 Ų12863%0.62867%0.667SS**THydrogen-bonded Turntrans-90.5-27.7-171-158.268.2000113Q310 Q315 L316Q310-L313 PolarHBondContact O-N 3.02Å; Q310-L313 VanDerWaalsContact O-N 3.1Å; L313-Q315 PolarHBondContact O-N 3.28Å; L313-L316 HydrophobicContact CD1-CD1 4.45Å; L313-L316 PolarHBondContact O-N 2.94Å
314S44Very low43.1Very low99 Ų99135.7 Ų135.769%0.69269%0.693SS**THydrogen-bonded Turntrans-68.6-12.3-177.6-53.60000115
315Q47.9Very low42.6Very low173 Ų173136.9 Ų136.981%0.80870%0.701SS**THydrogen-bonded Turntrans-94.3-2-179.5-69.9-165.5-31.800114.5L313L313-Q315 PolarHBondContact O-N 3.28Å
316L41.7Very low41.6Very low127 Ų127135.9 Ų135.967%0.66571%0.706SS**SBendtrans-94.91.5-175.1-72.6170.3000115.3L313L313-L316 HydrophobicContact CD1-CD1 4.45Å; L313-L316 PolarHBondContact O-N 2.94Å
317Y36.9Very low41.2Very low206 Ų206139 Ų13981%0.80873%0.731SS**  trans-120.626.7-174.7-82.9-78.4000114.9
318Q38.1Very low40.8Very low177 Ų177139.9 Ų139.983%0.82774%0.742SS**  trans-111.482168.8-69.7-172.92.300110.5P320Q318-P320 VanDerWaalsContact O-CD 3.25Å; Q318-P320 WeakPolarHBondContact O-CD 3.38Å
319S33.8Very low39.9Very low106 Ų106144.1 Ų144.174%0.74175%0.754SS**  trans-91.1106.6178.2-54.40000111
320P40.3Very low39.4Very low130 Ų130147.2 Ų147.284%0.84476%0.759SS**  trans-76.8132.2172.831.8-33.6000110.2Q318Q318-P320 VanDerWaalsContact O-CD 3.25Å; Q318-P320 WeakPolarHBondContact O-CD 3.38Å
321N34.3Very low38.8Very low148 Ų148150 Ų15079%0.79177%0.772SS**  trans-135.2147.4176.7-161.5-7.1000111.5
322R35Very low38Very low224 Ų224150.8 Ų150.885%0.84578%0.778SS**  trans69.4105.9178.8-57.2-168.1175-157.8-1.5117.6
323R33.3Very low37.2Very low243 Ų243155.3 Ų155.392%0.91780%0.796SS**  trans-89.7155143.5-80.8178.1164.2174.1-5.6109.5
324Y31.5Very low36.4Very low221 Ų221159.4 Ų159.487%0.86780%0.804SS**  trans-141.5146.7150.3-112.7-95.2000108.6
325P42Very low35.9Very low125 Ų125162.9 Ų162.981%0.81281%0.807SS**  trans-99.6159.3-169.937.4-34.8000115
326G30.1Very low35Very low74 Ų74165.4 Ų165.476%0.76381%0.809SS**  trans-149159.117000000111.4
327P42.3Very low34.4Very low130 Ų130165.9 Ų165.984%0.84481%0.811SS**  trans-105.3175.1-150.639.5-36.4000118
328L38.4Very low34Very low147 Ų147162.9 Ų162.977%0.7781%0.809SS**  trans-58.8154.8-170-74.458.2000117.3
329H32.1Very low33.7Very low185 Ų185160.8 Ų160.886%0.85680%0.804SS**  trans-138.7159.5138.2-151.975.5000111.5
330H35.4Very low33.5Very low155 Ų155162.5 Ų162.572%0.71880%0.804SS**  trans-87.1178.5179.8-77.359.8000110.6
331Q28.1Very low33Very low189 Ų189164.4 Ų164.488%0.88381%0.806SS**  cis-163.1170.235.4-168.9172.71.800111.6
332A32.9Very low33Very low91 Ų91164 Ų16475%0.75280%0.804SS**  trans-130.9159.5-175.100000114.4
333Q35.3Very low33Very low191 Ų191161.7 Ų161.789%0.89381%0.805SS**  trans-145.9174.2174.9-90.5-87.2-44.300111.7
334R30Very low32.8Very low206 Ų206153.6 Ų153.678%0.77779%0.789SS**  trans-137.1168.1-172.2-80-177.5173.3177.6-2.5110.9
335F33.6Very low32.8Very low173 Ų173154.2 Ų154.276%0.75979%0.792SS**  cis-134-138.86.1-136-30.1000109.5
336R30.7Very low32.1Very low225 Ų225151.6 Ų151.685%0.84979%0.788SS**  cis-155.71703.3-157.1-174.3170.7151.7-0.1109.5
337L29Very low32.1Very low138 Ų138154.6 Ų154.672%0.72379%0.791SS**  trans-69.8158157.6-121.264000110.8
338D28.9Very low31.8Very low142 Ų142157.6 Ų157.676%0.75979%0.79SS**  -158.7-174.662-131.1-62.2000115.7
339N30.8Very low31.2Very low133 Ų133162.3 Ų162.371%0.71180%0.798SS**  trans-128.8176.1-167.6-171.319.1000113.2
340L28.6Very low31Very low143 Ų143163.4 Ų163.475%0.74980%0.801SS**  trans74.2110.1167-52.2174.3000117.5
341L31.5Very low30.7Very low169 Ų169161 Ų16189%0.88580%0.802SS**  -158.5110114.4-111.3170.2000114
342N32.6Very low31Very low139 Ų139157.6 Ų157.674%0.74380%0.796SS**  trans63.6130.8149.6-151.132.2000122.2
343M36.2Very low30.8Very low177 Ų177161.3 Ų161.387%0.87280%0.801SS**  trans-76.5137.6157.5-68179.867.100110.2
344A28.8Very low30.4Very low72 Ų72157.8 Ų157.860%0.59579%0.793SS**  trans-144.697.5168.400000111.4
345Y31.9Very low30.7Very low235 Ų235155.1 Ų155.192%0.92279%0.792SS**  trans59.4118.9162.1-46.9-76.5000119.8
346G27.8Very low30.4Very low70 Ų70153.3 Ų153.372%0.72279%0.791SS**  trans116.8115.5132.900000119.5
347V28.1Very low30.4Very low136 Ų136147.9 Ų147.982%0.82479%0.787SS**  trans69.5101.9145.5-166.70000119.6
348K37Very low30.5Very low193 Ų193150.4 Ų150.484%0.83980%0.798SS**  trans17.6137.4134-52.6174.7-178.1178.10119.3
349R26.1Very low30.8Very low246 Ų246150.3 Ų150.393%0.92880%0.802SS**  -166.1179.8114.1-81.9-117.1-178.4-120-5110.9
350F27.9Very low30.9Very low208 Ų208148.9 Ų148.991%0.91280%0.803SS**  trans-88.4166.7-168-91.5-111000114.7
351S27.9Very low30.9Very low106 Ų106150 Ų15074%0.74181%0.809SS**  trans-60.7-174.2172.9-23.70000114.6
352P35.2Very low30.7Very low117 Ų117148.7 Ų148.776%0.7681%0.808SS**  cis-135.1157.2-4.539-22.1000116.2
353I28.8Very low30.7Very low168 Ų168145.3 Ų145.386%0.86281%0.806SS**  trans-134.9149.6162.9-71.5-171.5000111.6
354T26.3Very low30.3Very low117 Ų117145.2 Ų145.272%0.71881%0.805SS**  trans-53.3138.3-166.653.90000119.9
355I36.6Very low30.2Very low150 Ų150149.3 Ų149.377%0.76982%0.817SS**  44148.5126.1-138.6170.7000122.7
356D28Very low30.6Very low136 Ų136144.4 Ų144.473%0.72781%0.805SS**  trans81.1149.1162.2-94.8-62000120.7
357S29.6Very low30.8Very low110 Ų110146.5 Ų146.577%0.76981%0.806SS**  trans68.765.8173.3-56.60000119.5
358M32.3Very low31.1Very low191 Ų191142.3 Ų142.394%0.94179%0.791SS**  trans-151.939.5137.5-132.9177.1-168.500117.3S360M358-S360 VanDerWaalsContact C-N 3.31Å; M358-S360 PolarHBondContact O-N 3.34Å
359T34Very low31.3Very low140 Ų140137.9 Ų137.986%0.85977%0.773SS**  trans-76.274.9166.9300000112.3
360S34.1Very low31.9Very low104 Ų104130.8 Ų130.873%0.72776%0.757SS**  trans-168.7100.2157.5-85.30000113.2M358M358-S360 VanDerWaalsContact C-N 3.31Å; M358-S360 PolarHBondContact O-N 3.34Å
361L27.7Very low33.2Very low165 Ų165123.6 Ų123.686%0.86474%0.742SS**SBend178.3165.1126.2-95.2165.1000110.4
362V28.8Very low34.7Very low143 Ų143124.5 Ų124.587%0.86774%0.743SS**  trans5196179.1-59.90000116.8
363G31.6Very low36.4Very low68 Ų68119.6 Ų119.670%0.70171%0.713SS**  trans-95.7145.5175.200000114
364M28Very low39.1Very low174 Ų174115.4 Ų115.486%0.85769%0.687SS**  trans-136.5107.1160.4-85.9-70.4111.100108.7I366M364-I366 PolarHBondContact O-N 2.98Å
365N26.9Very low42Very low158 Ų158111.2 Ų111.285%0.84566%0.662SS**  trans-88.697.7-176.4-175.742.1000110.7P367N365-P367 WeakPolarHBondContact O-CD 3.2Å
366I39.4Very low44.7Very low133 Ų133104 Ų10468%0.68263%0.625SS**  trans-97.3114.4-178.8-57.4178.1000110.1M364M364-I366 PolarHBondContact O-N 2.98Å
367P32.3Very low47.7Very low113 Ų113100.4 Ų100.473%0.73460%0.603SS**  trans-81.3139.7-177.631.5-34.6000113.1N365N365-P367 WeakPolarHBondContact O-CD 3.2Å
368G34Very low50.7Low49 Ų4995.2 Ų95.251%0.50557%0.566SS.*  trans103.576.2164.800000115N452G368-N452 PolarHBondContact O-ND2 3.41Å
369H41Very low53.6Low100 Ų10091.2 Ų91.246%0.46354%0.542SS..  trans-115100.8174.6-13259.7000111.5W374H369-W374 AromaticContact CE1-CD2 3.67Å; H369-W374 AromaticContact CE1-CE3 3.2Å; H369-W374 AromaticContact CE1-CZ3 3.48Å; H369-W374 VanDerWaalsContact CE1-CZ3 3.48Å; H369-W374 WeakPolarHBondContact CE1-CZ3 3.46Å; H369-W374 AromaticContact NE2-CD2 3.33Å; H369-W374 VanDerWaalsContact NE2-CD2 3.33Å; H369-W374 AromaticContact NE2-CE2 3.65Å; H369-W374 AromaticContact NE2-CE3 3.37Å; H369-W374 AromaticContact NE2-CG 3.89Å; H369-W374 AromaticContact NE2-CZ2 3.99Å; H369-W374 AromaticContact NE2-CZ3 3.73Å
370T39.8Very low56.2Low96 Ų9687 Ų8759%0.58951%0.514SS*.  trans-80.3116.3168.552.70000108.3
371G54.3Low58.8Low58 Ų5882.1 Ų82.160%0.59848%0.48SS*.SBendtrans-64.8176.5-161.400000117.6
372T60.6Low61.6Low125 Ų12576 Ų7677%0.76745%0.451SS*.SBendtrans84.79.7-172.179.90000117.9N401T372-N401 PolarHBondContact O-ND2 3.43Å
373G70.9Confident64.2Low13 Ų1371.1 Ų71.113%0.13442%0.422CS..SBendtrans152.7168.3154.800000115.4C375 M422G373-C375 PolarHBondContact O-N 3.4Å; G373-M422 CarbonylContact C-O 3.54Å; G373-M422 WeakPolarHBondContact CA-O 3.48Å
374W84.4Confident66.7Low80 Ų8072.7 Ų72.730%0.30341%0.414SS..EExtended strand (participates in β ladder)trans-81.2105.8-179.3-64.987.7000109.8H369 I376 T421 M422 Y425 A428 F449H369-W374 AromaticContact CE1-CD2 3.67Å; H369-W374 AromaticContact CE1-CE3 3.2Å; H369-W374 AromaticContact CE1-CZ3 3.48Å; H369-W374 VanDerWaalsContact CE1-CZ3 3.48Å; H369-W374 WeakPolarHBondContact CE1-CZ3 3.46Å; H369-W374 AromaticContact NE2-CD2 3.33Å; H369-W374 VanDerWaalsContact NE2-CD2 3.33Å; H369-W374 AromaticContact NE2-CE2 3.65Å; H369-W374 AromaticContact NE2-CE3 3.37Å; H369-W374 AromaticContact NE2-CG 3.89Å; H369-W374 AromaticContact NE2-CZ2 3.99Å; H369-W374 AromaticContact NE2-CZ3 3.73Å; W374-I376 PolarHBondContact O-N 2.58Å; W374-T421 WeakPolarHBondContact O-CA 3.46Å; W374-M422 PolarHBondContact N-O 2.82Å; W374-M422 PolarHBondContact O-N 2.82Å; W374-Y425 AromaticContact CD2-CD2 3.66Å; W374-Y425 HydrophobicContact CD2-CD2 3.66Å; W374-Y425 HydrophobicContact CD2-CG 4.34Å; W374-Y425 AromaticContact CE2-CD2 3.87Å; W374-Y425 AromaticContact CE3-CD2 3.44Å; W374-Y425 HydrophobicContact CE3-CD2 3.44Å; W374-Y425 VanDerWaalsContact CE3-CD2 3.44Å; W374-Y425 HydrophobicContact CE3-CE2 4.04Å; W374-Y425 HydrophobicContact CE3-CG 4.47Å; W374-Y425 HydrophobicContact CG-CD2 4.45Å; W374-Y425 AromaticContact CH2-CD2 3.7Å; W374-Y425 HydrophobicContact CH2-CD2 3.7Å; W374-Y425 HydrophobicContact CH2-CE2 4.27Å; W374-Y425 HydrophobicContact CH2-CG 4.24Å; W374-Y425 AromaticContact CZ2-CD2 3.9Å; W374-Y425 HydrophobicContact CZ2-CD2 3.9Å; W374-Y425 HydrophobicContact CZ2-CG 4.1Å; W374-Y425 AromaticContact CZ3-CD2 3.46Å; W374-Y425 HydrophobicContact CZ3-CD2 3.46Å; W374-Y425 VanDerWaalsContact CZ3-CD2 3.46Å; W374-Y425 AromaticContact CZ3-CE2 3.82Å; W374-Y425 HydrophobicContact CZ3-CE2 3.82Å; W374-Y425 HydrophobicContact CZ3-CG 4.42Å; W374-A428 HydrophobicContact CB-CB 3.82Å; W374-F449 HydrophobicContact CB-CE1 4.32Å; W374-F449 HydrophobicContact CE3-CE1 4.14Å
375C88.8Confident69.4Low29 Ų2964.8 Ų64.820%0.19638%0.376CS..EExtended strand (participates in β ladder)trans-82.8117.4-177.1-1640000111.1G373 V420 K450G373-C375 PolarHBondContact O-N 3.4Å; C375-V420 CarbonylContact C-O 3.58Å; C375-V420 WeakPolarHBondContact CA-O 3.19Å; C375-K450 HydrophobicContact CB-CB 4.14Å; C375-K450 HydrophobicContact CB-CD 4.09Å; C375-K450 VanDerWaalsContact O-CB 3.26Å; C375-K450 WeakPolarHBondContact O-CB 3.46Å; C375-K450 PolarHBondContact O-N 2.83Å; C375-K450 VanDerWaalsContact SG-CD 3.5Å
376I91.8Very high72.3Confident0 Ų060.7 Ų60.70%035%0.354CS..EExtended strand (participates in β ladder)trans-98.5133.4175.8-52.7178.2000108W374 V378 F394 F419 V420 M422 A428 A431 I432 V447 S448W374-I376 PolarHBondContact O-N 2.58Å; I376-V378 HydrophobicContact CG2-CG2 4.37Å; I376-F394 HydrophobicContact CD1-CD1 3.99Å; I376-F394 HydrophobicContact CD1-CE1 3.59Å; I376-F394 HydrophobicContact CG2-CE1 4.09Å; I376-F394 HydrophobicContact CG2-CZ 4.26Å; I376-F419 WeakPolarHBondContact O-CA 3.45Å; I376-V420 HydrophobicContact CB-CB 4.41Å; I376-V420 PolarHBondContact N-O 2.79Å; I376-V420 PolarHBondContact O-N 3.47Å; I376-M422 HydrophobicContact CD1-CG 3.6Å; I376-M422 HydrophobicContact CD1-SD 4.47Å; I376-M422 HydrophobicContact CG1-CG 4.4Å; I376-A428 HydrophobicContact CD1-CB 3.92Å; I376-A428 HydrophobicContact CG1-CB 4.3Å; I376-A431 HydrophobicContact CD1-CB 4.38Å; I376-I432 HydrophobicContact CD1-CD1 4.41Å; I376-I432 HydrophobicContact CD1-CG1 4.2Å; I376-I432 HydrophobicContact CG1-CD1 4.18Å; I376-I432 HydrophobicContact CG1-CG1 4.33Å; I376-I432 HydrophobicContact CG2-CD1 4.33Å; I376-I432 HydrophobicContact CG2-CG1 3.88Å; I376-V447 HydrophobicContact CG2-CG1 3.43Å; I376-V447 VanDerWaalsContact CG2-CG1 3.43Å; I376-S448 CarbonylContact C-O 3.55Å; I376-S448 WeakPolarHBondContact CA-O 3.48Å; I376-S448 WeakPolarHBondContact CG2-O 3.25Å
377F92.7Very high74.7Confident60 Ų6057 Ų5726%0.26333%0.334SS..EExtended strand (participates in β ladder)trans-92.8131.2168.8178.1-121.9000109.2Y379 F417 F419 V447 S448 K450F377-Y379 HydrophobicContact CE1-CD2 4.16Å; F377-Y379 HydrophobicContact CE1-CG 4.25Å; F377-Y379 AromaticContact CZ-CD2 3.74Å; F377-Y379 HydrophobicContact CZ-CD2 3.74Å; F377-Y379 HydrophobicContact CZ-CG 4.26Å; F377-F417 HydrophobicContact CE2-CB 3.92Å; F377-F417 AromaticContact CE2-CD2 3.77Å; F377-F417 HydrophobicContact CE2-CD2 3.77Å; F377-F417 HydrophobicContact CE2-CG 4.13Å; F377-F417 HydrophobicContact CZ-CB 4.21Å; F377-F419 HydrophobicContact CB-CE1 4.5Å; F377-F419 HydrophobicContact CD2-CD1 4.03Å; F377-F419 AromaticContact CD2-CE1 3.52Å; F377-F419 HydrophobicContact CD2-CE1 3.52Å; F377-F419 AromaticContact CD2-CZ 3.99Å; F377-F419 HydrophobicContact CD2-CZ 3.99Å; F377-F419 HydrophobicContact CE2-CE1 4.19Å; F377-F419 HydrophobicContact CE2-CZ 4.21Å; F377-F419 HydrophobicContact CG-CE1 4.42Å; F377-V447 WeakPolarHBondContact O-CA 3.49Å; F377-S448 PolarHBondContact N-O 2.83Å; F377-S448 PolarHBondContact O-N 2.68Å; F377-K450 HydrophobicContact CB-CB 4.43Å
378V92.2Very high77.4Confident0 Ų055.1 Ų55.10%032%0.324CS..EExtended strand (participates in β ladder)trans-119.6125.2176-175.40000108.5I376 L381 L390 F394 F417 G418 V420 Q446 V447I376-V378 HydrophobicContact CG2-CG2 4.37Å; V378-L381 HydrophobicContact CG1-CD1 4.35Å; V378-L381 HydrophobicContact CG1-CD2 3.95Å; V378-L381 HydrophobicContact CG1-CG 4.09Å; V378-L390 HydrophobicContact CB-CD2 4.32Å; V378-L390 HydrophobicContact CG1-CD2 3.98Å; V378-L390 HydrophobicContact CG2-CD2 4.19Å; V378-F394 HydrophobicContact CG2-CE2 3.87Å; V378-F394 HydrophobicContact CG2-CZ 3.69Å; V378-F417 CarbonylContact O-C 3.54Å; V378-F417 WeakPolarHBondContact O-CA 3.48Å; V378-F417 WeakPolarHBondContact O-CB 3.41Å; V378-G418 PolarHBondContact N-O 2.69Å; V378-G418 PolarHBondContact O-N 3.03Å; V378-V420 HydrophobicContact CG2-CG2 4.17Å; V378-Q446 WeakPolarHBondContact CA-O 3.48Å; V378-V447 HydrophobicContact CG1-CG2 4.29Å; V378-V447 HydrophobicContact CG2-CG1 4.39Å; V378-V447 HydrophobicContact CG2-CG2 4.49Å
379Y91.6Very high80Confident107 Ų10754.9 Ų54.942%0.4231%0.313SS..EExtended strand (participates in β ladder)trans-127.4161.8-175.7-172-96.3000111.3F377 G416 F417 Q446F377-Y379 HydrophobicContact CE1-CD2 4.16Å; F377-Y379 HydrophobicContact CE1-CG 4.25Å; F377-Y379 AromaticContact CZ-CD2 3.74Å; F377-Y379 HydrophobicContact CZ-CD2 3.74Å; F377-Y379 HydrophobicContact CZ-CG 4.26Å; Y379-G416 CarbonylContact C-O 3.6Å; Y379-F417 HydrophobicContact CD2-CB 3.76Å; Y379-F417 HydrophobicContact CE2-CB 4.44Å; Y379-Q446 PolarHBondContact N-O 3.15Å; Y379-Q446 PolarHBondContact O-N 2.89Å
380N89.4Confident82.4Confident52 Ų5250.2 Ų50.228%0.27829%0.291SS..SBendtrans61.633.5-171.9-160.328.8000115G416 R443 V444N380-G416 WeakPolarHBondContact CA-O 3.45Å; N380-G416 PolarHBondContact N-O 3.45Å; N380-R443 WeakPolarHBondContact O-CB 3.4Å; N380-R443 WeakPolarHBondContact O-CD 3.26Å; N380-V444 WeakPolarHBondContact CB-O 3.4Å; N380-V444 PolarHBondContact ND2-O 2.97Å
381L89.2Confident84.9Confident1 Ų151.2 Ų51.21%0.00528%0.284CS..  trans-62.7158.4168.3-68.6168.9000111.4V378 L390 V405 G416 L440 R443 L445V378-L381 HydrophobicContact CG1-CD1 4.35Å; V378-L381 HydrophobicContact CG1-CD2 3.95Å; V378-L381 HydrophobicContact CG1-CG 4.09Å; L381-L390 HydrophobicContact CD1-CD1 4.26Å; L381-L390 HydrophobicContact CD2-CD2 4.07Å; L381-V405 HydrophobicContact CD1-CG1 4.31Å; L381-G416 PolarHBondContact N-O 3.48Å; L381-L440 HydrophobicContact CD2-CD2 4.25Å; L381-R443 WeakPolarHBondContact O-CD 3.45Å; L381-R443 PolarHBondContact O-NH1 3.44Å; L381-L445 HydrophobicContact CD2-CD2 3.79Å; L381-L445 HydrophobicContact CG-CD2 4.47Å
382S85.2Confident86.6Confident37 Ų3755.7 Ų55.726%0.25929%0.289SS..  trans-68.8149.7170.1-166.30000110.3D384 S385 C414S382-D384 PolarHBondContact O-N 3.05Å; S382-S385 WeakPolarHBondContact CB-OG 3.42Å; S382-S385 PolarHBondContact N-OG 3.47Å; S382-S385 VanDerWaalsContact N-OG 3.14Å; S382-S385 WeakPolarHBondContact O-CB 3.31Å; S382-S385 PolarHBondContact O-N 3.45Å; S382-S385 VanDerWaalsContact O-N 3.07Å; S382-C414 WeakPolarHBondContact O-CB 3.36Å
383P84.1Confident87.9Confident40 Ų4050.8 Ų50.826%0.2626%0.258SS..THydrogen-bonded Turntrans-55.7-18.6167.723.7-36.2000113.8K413 C414P383-K413 HydrophobicContact CB-CB 4.26Å; P383-K413 HydrophobicContact CB-CD 4.35Å; P383-K413 WeakPolarHBondContact O-CA 3.29Å; P383-K413 WeakPolarHBondContact O-CB 3.09Å; P383-C414 PolarHBondContact O-N 3.3Å
384D83.4Confident88.9Confident101 Ų10150.2 Ų50.254%0.5425%0.252SS..THydrogen-bonded Turntrans-11219.3179.9-58.7-60.9000112.8S382 K413S382-D384 PolarHBondContact O-N 3.05Å; D384-K413 VanDerWaalsContact CG-NZ 3.3Å; D384-K413 IonicContact OD1-NZ 2.68Å; D384-K413 PolarHBondContact OD1-NZ 3.46Å; D384-K413 IonicContact OD2-NZ 3.23Å; D384-K413 PolarHBondContact OD2-NZ 2.76Å
385S84.8Confident89.1Confident8 Ų848.3 Ų48.36%0.05626%0.258CS..  trans-91.1106.2175.2-69.60000112S382 C414S382-S385 WeakPolarHBondContact CB-OG 3.42Å; S382-S385 PolarHBondContact N-OG 3.47Å; S382-S385 VanDerWaalsContact N-OG 3.14Å; S382-S385 WeakPolarHBondContact O-CB 3.31Å; S382-S385 PolarHBondContact O-N 3.45Å; S382-S385 VanDerWaalsContact O-N 3.07Å; S385-C414 PolarHBondContact O-SG 2.86Å
386D87.9Confident89.2Confident72 Ų7251.7 Ų51.739%0.38528%0.279SS..  trans-82.5167.5178.2-63.3-38.9000114.1S388 V389 R407D386-S388 PolarHBondContact O-N 3.11Å; D386-S388 VanDerWaalsContact O-N 3.15Å; D386-V389 WeakPolarHBondContact O-CB 2.87Å; D386-V389 PolarHBondContact O-N 3.01Å; D386-V389 VanDerWaalsContact O-N 3.07Å; D386-R407 IonicContact OD1-CZ 2.69Å; D386-R407 VanDerWaalsContact OD1-CZ 3.23Å; D386-R407 IonicContact OD1-NH1 3.68Å; D386-R407 PolarHBondContact OD1-NH1 2.89Å; D386-R407 IonicContact OD1-NH2 3.84Å; D386-R407 PolarHBondContact OD1-NH2 3.3Å
387E89.8Confident89.1Confident55 Ų5554.6 Ų54.626%0.25729%0.292SS..Hα-helixtrans-52.8-34.8176.9-72.472.1-165.200112.8V389 L390 W391 V403 V405 R407E387-V389 PolarHBondContact O-N 2.95Å; E387-L390 WeakPolarHBondContact O-CB 3.45Å; E387-L390 PolarHBondContact O-N 2.83Å; E387-W391 PolarHBondContact O-N 2.86Å; E387-V403 HydrophobicContact CB-CG1 3.88Å; E387-V403 HydrophobicContact CG-CG1 3.95Å; E387-V405 HydrophobicContact CG-CB 4.44Å; E387-V405 HydrophobicContact CG-CG2 3.99Å; E387-V405 VanDerWaalsContact OE1-CB 3.31Å; E387-V405 WeakPolarHBondContact OE1-CB 3.12Å; E387-V405 PolarHBondContact OE1-N 2.94Å; E387-V405 VanDerWaalsContact OE1-N 3.11Å; E387-R407 IonicContact OE1-NE 2.62Å; E387-R407 IonicContact OE1-NH2 2.69Å; E387-R407 IonicContact OE2-CZ 3.85Å; E387-R407 IonicContact OE2-NE 2.67Å; E387-R407 IonicContact OE2-NH2 3.74Å; E387-R407 PolarHBondContact OE2-NH2 2.89Å
388S90.1Very high88.8Confident75 Ų7552.6 Ų52.652%0.52429%0.289SS..Hα-helixtrans-56.2-35.9178.351.50000113D386 L390 W391 Q392D386-S388 PolarHBondContact O-N 3.11Å; D386-S388 VanDerWaalsContact O-N 3.15Å; S388-L390 VanDerWaalsContact C-N 3.35Å; S388-W391 PolarHBondContact O-N 2.67Å; S388-Q392 WeakPolarHBondContact O-CB 3.3Å; S388-Q392 PolarHBondContact O-N 3.1Å
389V88.9Confident88.5Confident44 Ų4455.1 Ų55.127%0.26731%0.309SS..Hα-helixtrans-68-37.9177.7-173.90000110.6D386 E387 Q392 L393 L440D386-V389 WeakPolarHBondContact O-CB 2.87Å; D386-V389 PolarHBondContact O-N 3.01Å; D386-V389 VanDerWaalsContact O-N 3.07Å; E387-V389 PolarHBondContact O-N 2.95Å; V389-Q392 PolarHBondContact O-N 3.35Å; V389-L393 HydrophobicContact CG1-CD1 4.04Å; V389-L393 HydrophobicContact CG1-CG 4.49Å; V389-L393 WeakPolarHBondContact O-CB 3.48Å; V389-L393 VanDerWaalsContact O-CG 3.27Å; V389-L393 WeakPolarHBondContact O-CG 3.32Å; V389-L393 PolarHBondContact O-N 3.44Å; V389-L440 HydrophobicContact CG1-CD1 3.87Å; V389-L440 HydrophobicContact CG1-CD2 3.95Å
390L90.7Very high88.4Confident1 Ų151 Ų511%0.00530%0.296CS..Hα-helixtrans-70.8-39.5175.2-67.7177.2000112V378 L381 E387 S388 Q392 L393 F394 V403 V405 V420V378-L390 HydrophobicContact CB-CD2 4.32Å; V378-L390 HydrophobicContact CG1-CD2 3.98Å; V378-L390 HydrophobicContact CG2-CD2 4.19Å; L381-L390 HydrophobicContact CD1-CD1 4.26Å; L381-L390 HydrophobicContact CD2-CD2 4.07Å; E387-L390 WeakPolarHBondContact O-CB 3.45Å; E387-L390 PolarHBondContact O-N 2.83Å; S388-L390 VanDerWaalsContact C-N 3.35Å; L390-Q392 VanDerWaalsContact C-N 3.31Å; L390-Q392 PolarHBondContact O-N 3.42Å; L390-L393 PolarHBondContact O-N 3.28Å; L390-F394 HydrophobicContact CD2-CD2 4.37Å; L390-F394 HydrophobicContact CD2-CE2 3.98Å; L390-F394 WeakPolarHBondContact O-CB 3.27Å; L390-F394 WeakPolarHBondContact O-CD2 3.41Å; L390-F394 PolarHBondContact O-N 3.07Å; L390-V403 HydrophobicContact CB-CG1 3.64Å; L390-V403 HydrophobicContact CB-CG2 4.49Å; L390-V403 HydrophobicContact CD1-CG1 3.7Å; L390-V403 HydrophobicContact CG-CG1 4.3Å; L390-V405 HydrophobicContact CD1-CG2 3.7Å; L390-V420 HydrophobicContact CB-CG2 4.15Å; L390-V420 HydrophobicContact CD1-CG2 4.11Å; L390-V420 HydrophobicContact CD2-CG2 4.4Å; L390-V420 HydrophobicContact CG-CG2 4.47Å
391W91.3Very high88.3Confident117 Ų11752.4 Ų52.444%0.44330%0.303SS..Hα-helixtrans-57.9-44.2171.1-75.5104.5000111.6E387 S388 G395 V400 V403E387-W391 PolarHBondContact O-N 2.86Å; S388-W391 PolarHBondContact O-N 2.67Å; W391-G395 PolarHBondContact O-N 3.03Å; W391-V400 HydrophobicContact CD2-CG1 4.32Å; W391-V400 HydrophobicContact CE3-CB 3.79Å; W391-V400 HydrophobicContact CE3-CG1 3.74Å; W391-V400 HydrophobicContact CH2-CB 4.26Å; W391-V400 HydrophobicContact CH2-CG1 3.81Å; W391-V400 WeakPolarHBondContact CH2-O 3.13Å; W391-V400 HydrophobicContact CZ2-CG1 4.37Å; W391-V400 HydrophobicContact CZ3-CB 3.51Å; W391-V400 HydrophobicContact CZ3-CG1 3.48Å; W391-V400 VanDerWaalsContact CZ3-CG1 3.48Å; W391-V400 VanDerWaalsContact CZ3-O 3.25Å; W391-V400 WeakPolarHBondContact CZ3-O 3.48Å; W391-V403 HydrophobicContact CD2-CG2 3.71Å; W391-V403 VanDerWaalsContact CE2-CG2 3.44Å; W391-V403 HydrophobicContact CE3-CG2 4.39Å; W391-V403 HydrophobicContact CG-CG2 3.94Å; W391-V403 HydrophobicContact CZ2-CB 4.25Å; W391-V403 HydrophobicContact CZ2-CG2 3.89Å
392Q90.1Very high88.1Confident152 Ų15256.5 Ų56.571%0.7133%0.325SS*.Hα-helixtrans-68.7-35179.3-169.562.144.400113.3S388 V389 L390 P396S388-Q392 WeakPolarHBondContact O-CB 3.3Å; S388-Q392 PolarHBondContact O-N 3.1Å; V389-Q392 PolarHBondContact O-N 3.35Å; L390-Q392 VanDerWaalsContact C-N 3.31Å; L390-Q392 PolarHBondContact O-N 3.42Å; Q392-P396 VanDerWaalsContact O-CD 3.32Å; Q392-P396 WeakPolarHBondContact O-CD 3.36Å
393L89.4Confident88.4Confident22 Ų2255.4 Ų55.412%0.11532%0.316CS..Hα-helixtrans-76.3-38.9178.3-74.6170.8000113.1V389 L390 F397 L435 Y438 L445V389-L393 HydrophobicContact CG1-CD1 4.04Å; V389-L393 HydrophobicContact CG1-CG 4.49Å; V389-L393 WeakPolarHBondContact O-CB 3.48Å; V389-L393 VanDerWaalsContact O-CG 3.27Å; V389-L393 WeakPolarHBondContact O-CG 3.32Å; V389-L393 PolarHBondContact O-N 3.44Å; L390-L393 PolarHBondContact O-N 3.28Å; L393-F397 VanDerWaalsContact O-CD2 3.32Å; L393-F397 WeakPolarHBondContact O-CD2 3.24Å; L393-F397 VanDerWaalsContact O-CE2 3.29Å; L393-F397 WeakPolarHBondContact O-CE2 3.45Å; L393-L435 HydrophobicContact CB-CD1 4.3Å; L393-L435 HydrophobicContact CB-CD2 4.37Å; L393-L435 HydrophobicContact CD2-CD2 4.16Å; L393-Y438 HydrophobicContact CD2-CD1 4.23Å; L393-Y438 HydrophobicContact CD2-CE1 3.72Å; L393-L445 HydrophobicContact CD1-CD1 3.91Å
394F91.4Very high88.6Confident1 Ų157.5 Ų57.50%0.00432%0.321CS..Hα-helixtrans-92.3-26.2-175-76.3-97.7000113.8I376 V378 L390 P396 F397 V400 V420 M422 A431 L435 V447I376-F394 HydrophobicContact CD1-CD1 3.99Å; I376-F394 HydrophobicContact CD1-CE1 3.59Å; I376-F394 HydrophobicContact CG2-CE1 4.09Å; I376-F394 HydrophobicContact CG2-CZ 4.26Å; V378-F394 HydrophobicContact CG2-CE2 3.87Å; V378-F394 HydrophobicContact CG2-CZ 3.69Å; L390-F394 HydrophobicContact CD2-CD2 4.37Å; L390-F394 HydrophobicContact CD2-CE2 3.98Å; L390-F394 WeakPolarHBondContact O-CB 3.27Å; L390-F394 WeakPolarHBondContact O-CD2 3.41Å; L390-F394 PolarHBondContact O-N 3.07Å; F394-P396 VanDerWaalsContact C-CD 3.45Å; F394-F397 PolarHBondContact O-N 2.96Å; F394-V400 HydrophobicContact CB-CG2 3.66Å; F394-V420 HydrophobicContact CB-CG1 4.13Å; F394-V420 HydrophobicContact CD1-CB 4.47Å; F394-V420 HydrophobicContact CD1-CG1 3.99Å; F394-V420 HydrophobicContact CD2-CG1 4.37Å; F394-V420 HydrophobicContact CD2-CG2 3.96Å; F394-V420 HydrophobicContact CE2-CG2 3.97Å; F394-V420 HydrophobicContact CG-CB 4.49Å; F394-V420 HydrophobicContact CG-CG1 3.9Å; F394-V420 HydrophobicContact CG-CG2 4.31Å; F394-V420 HydrophobicContact CZ-CG2 4.34Å; F394-M422 HydrophobicContact CB-SD 4.31Å; F394-M422 HydrophobicContact CD1-SD 4.16Å; F394-A431 HydrophobicContact CD1-CB 3.75Å; F394-A431 HydrophobicContact CE1-CB 3.88Å; F394-L435 HydrophobicContact CD1-CD1 3.88Å; F394-L435 HydrophobicContact CD2-CD1 3.79Å; F394-L435 HydrophobicContact CE1-CD1 3.68Å; F394-L435 HydrophobicContact CE2-CD1 3.61Å; F394-L435 HydrophobicContact CG-CD1 3.93Å; F394-L435 HydrophobicContact CZ-CD1 3.55Å; F394-V447 HydrophobicContact CE1-CG1 4.22Å; F394-V447 HydrophobicContact CZ-CG1 3.81Å
395G88.7Confident88.9Confident41 Ų4153.1 Ų53.142%0.42330%0.298SS..G310 helixtrans-53.7-36.9178.900000116.1W391 F397W391-G395 PolarHBondContact O-N 3.03Å; G395-F397 PolarHBondContact O-N 3.2Å
396P91.1Very high89.1Confident100 Ų10054.6 Ų54.665%0.64931%0.305SS*.G310 helixtrans-65.4-17.8174.9-24.835.8000115.1Q392 F394Q392-P396 VanDerWaalsContact O-CD 3.32Å; Q392-P396 WeakPolarHBondContact O-CD 3.36Å; F394-P396 VanDerWaalsContact C-CD 3.45Å
397F88.4Confident89.2Confident60 Ų6055 Ų5526%0.26330%0.301SS..G310 helixtrans-98.6-15.5-175.5-62.9-79.9000113.9L393 F394 G395 M422 E427 A431 S434 L435L393-F397 VanDerWaalsContact O-CD2 3.32Å; L393-F397 WeakPolarHBondContact O-CD2 3.24Å; L393-F397 VanDerWaalsContact O-CE2 3.29Å; L393-F397 WeakPolarHBondContact O-CE2 3.45Å; F394-F397 PolarHBondContact O-N 2.96Å; G395-F397 PolarHBondContact O-N 3.2Å; F397-M422 HydrophobicContact CB-CE 4.45Å; F397-E427 VanDerWaalsContact O-CB 3.28Å; F397-E427 WeakPolarHBondContact O-CB 3.48Å; F397-E427 WeakPolarHBondContact O-CG 3.35Å; F397-A431 HydrophobicContact CB-CB 3.7Å; F397-A431 HydrophobicContact CD1-CB 4.45Å; F397-A431 HydrophobicContact CD2-CB 4.15Å; F397-A431 HydrophobicContact CG-CB 3.85Å; F397-S434 VanDerWaalsContact CE1-OG 3.31Å; F397-S434 WeakPolarHBondContact CE1-OG 3.39Å; F397-S434 VanDerWaalsContact CZ-CB 3.41Å; F397-L435 HydrophobicContact CD2-CD1 4.11Å; F397-L435 HydrophobicContact CE2-CD1 3.88Å; F397-L435 HydrophobicContact CE2-CD2 3.99Å; F397-L435 HydrophobicContact CE2-CG 3.86Å; F397-L435 HydrophobicContact CZ-CD2 4.47Å; F397-L435 HydrophobicContact CZ-CG 4.35Å
398G86.3Confident88.9Confident19 Ų1954.2 Ų54.220%0.19630%0.299CS..SBendtrans161.9-178-176.700000114.8V400 E427G398-V400 PolarHBondContact O-N 3.26Å; G398-E427 WeakPolarHBondContact CA-OE2 3.45Å
399A86.9Confident88.4Confident53 Ų5359.5 Ų59.544%0.43831%0.313SS..  trans-79.5105.3-178.200000111.2N401 T423 E427A399-N401 PolarHBondContact O-N 3.06Å; A399-T423 HydrophobicContact CB-CG2 4.17Å; A399-T423 PolarHBondContact O-N 3.14Å; A399-T423 PolarHBondContact O-OG1 3.07Å; A399-E427 PolarHBondContact N-OE2 3.23Å
400V89.5Confident88Confident21 Ų2163.7 Ų63.713%0.12733%0.334CS..EExtended strand (participates in β ladder)trans-76.2118.7173.7-178.60000109.5W391 F394 G398 V403 V420 M422W391-V400 HydrophobicContact CD2-CG1 4.32Å; W391-V400 HydrophobicContact CE3-CB 3.79Å; W391-V400 HydrophobicContact CE3-CG1 3.74Å; W391-V400 HydrophobicContact CH2-CB 4.26Å; W391-V400 HydrophobicContact CH2-CG1 3.81Å; W391-V400 WeakPolarHBondContact CH2-O 3.13Å; W391-V400 HydrophobicContact CZ2-CG1 4.37Å; W391-V400 HydrophobicContact CZ3-CB 3.51Å; W391-V400 HydrophobicContact CZ3-CG1 3.48Å; W391-V400 VanDerWaalsContact CZ3-CG1 3.48Å; W391-V400 VanDerWaalsContact CZ3-O 3.25Å; W391-V400 WeakPolarHBondContact CZ3-O 3.48Å; F394-V400 HydrophobicContact CB-CG2 3.66Å; G398-V400 PolarHBondContact O-N 3.26Å; V400-V403 HydrophobicContact CG1-CG2 3.6Å; V400-V420 HydrophobicContact CG1-CG1 3.83Å; V400-V420 HydrophobicContact CG2-CG1 4.32Å; V400-M422 HydrophobicContact CG2-CE 4.49Å; V400-M422 HydrophobicContact CG2-SD 3.69Å
401N86.9Confident87.5Confident81 Ų8167.9 Ų67.943%0.43336%0.36SS..EExtended strand (participates in β ladder)trans-87.8-33.2177.5-173.521.2000112T372 A399 T421 T423T372-N401 PolarHBondContact O-ND2 3.43Å; A399-N401 PolarHBondContact O-N 3.06Å; N401-T421 HydrophobicContact CB-CG2 4.42Å; N401-T421 WeakPolarHBondContact CB-O 3.44Å; N401-T421 PolarHBondContact N-O 3.13Å; N401-T423 HydrophobicContact CB-CG2 4.29Å
402N85.5Confident86.8Confident86 Ų8667.7 Ų67.746%0.4637%0.367SS..EExtended strand (participates in β ladder)trans-154.5151.1178.3-156.5-106.8000113V420 T421N402-V420 CarbonylContact O-C 3.52Å; N402-V420 WeakPolarHBondContact O-CA 3.37Å; N402-T421 PolarHBondContact N-O 2.96Å; N402-T421 PolarHBondContact O-N 2.93Å
403V90.2Very high86.4Confident14 Ų1465 Ų659%0.08535%0.353CS..EExtended strand (participates in β ladder)trans-136135.6170.9179.30000108.3E387 L390 W391 V400 F419 V420E387-V403 HydrophobicContact CB-CG1 3.88Å; E387-V403 HydrophobicContact CG-CG1 3.95Å; L390-V403 HydrophobicContact CB-CG1 3.64Å; L390-V403 HydrophobicContact CB-CG2 4.49Å; L390-V403 HydrophobicContact CD1-CG1 3.7Å; L390-V403 HydrophobicContact CG-CG1 4.3Å; W391-V403 HydrophobicContact CD2-CG2 3.71Å; W391-V403 VanDerWaalsContact CE2-CG2 3.44Å; W391-V403 HydrophobicContact CE3-CG2 4.39Å; W391-V403 HydrophobicContact CG-CG2 3.94Å; W391-V403 HydrophobicContact CZ2-CB 4.25Å; W391-V403 HydrophobicContact CZ2-CG2 3.89Å; V400-V403 HydrophobicContact CG1-CG2 3.6Å; V403-F419 WeakPolarHBondContact CA-O 3.49Å; V403-V420 HydrophobicContact CG2-CG1 4.37Å; V403-V420 HydrophobicContact CG2-CG2 4.39Å
404K89.3Confident86.1Confident84 Ų8464.4 Ų64.437%0.36535%0.351SS..EExtended strand (participates in β ladder)trans-142.7107175.9-175.7178.3-174.6178.10110.2I173 I406 G418 F419I173-K404 PolarHBondContact O-NZ 2.86Å; K404-I406 HydrophobicContact CD-CD1 4.23Å; K404-I406 HydrophobicContact CG-CD1 4.13Å; K404-G418 CarbonylContact O-C 3.45Å; K404-G418 VanDerWaalsContact O-CA 3.24Å; K404-G418 WeakPolarHBondContact O-CA 3.43Å; K404-F419 PolarHBondContact N-O 2.94Å; K404-F419 PolarHBondContact O-N 3.33Å
405V90.4Very high85.8Confident9 Ų969.3 Ų69.36%0.05537%0.372CS..EExtended strand (participates in β ladder)trans-81.3141.9168.6-175.40000108.5L381 E387 L390 C414L381-V405 HydrophobicContact CD1-CG1 4.31Å; E387-V405 HydrophobicContact CG-CB 4.44Å; E387-V405 HydrophobicContact CG-CG2 3.99Å; E387-V405 VanDerWaalsContact OE1-CB 3.31Å; E387-V405 WeakPolarHBondContact OE1-CB 3.12Å; E387-V405 PolarHBondContact OE1-N 2.94Å; E387-V405 VanDerWaalsContact OE1-N 3.11Å; L390-V405 HydrophobicContact CD1-CG2 3.7Å; V405-C414 HydrophobicContact CG1-CB 3.75Å; V405-C414 VanDerWaalsContact CG1-SG 3.55Å
406I88.2Confident85.6Confident40 Ų4067.8 Ų67.821%0.20536%0.356CS..EExtended strand (participates in β ladder)trans-94.5119.8175.6-57.4-54.9000108.4K404 K415 F417 F419K404-I406 HydrophobicContact CD-CD1 4.23Å; K404-I406 HydrophobicContact CG-CD1 4.13Å; I406-K415 HydrophobicContact CG2-CB 4.47Å; I406-K415 HydrophobicContact CG2-CD 4.16Å; I406-K415 WeakPolarHBondContact O-CB 3.31Å; I406-K415 PolarHBondContact O-N 3Å; I406-F417 HydrophobicContact CB-CD2 4.01Å; I406-F417 HydrophobicContact CB-CE1 4.49Å; I406-F417 HydrophobicContact CB-CE2 3.69Å; I406-F417 HydrophobicContact CB-CZ 3.94Å; I406-F417 HydrophobicContact CG1-CD2 3.85Å; I406-F417 HydrophobicContact CG1-CE2 3.5Å; I406-F417 HydrophobicContact CG1-CZ 4.2Å; I406-F417 HydrophobicContact CG2-CE1 4.37Å; I406-F417 HydrophobicContact CG2-CE2 3.97Å; I406-F417 HydrophobicContact CG2-CZ 3.76Å; I406-F417 PolarHBondContact N-O 2.86Å; I406-F419 HydrophobicContact CD1-CD2 4.39Å; I406-F419 HydrophobicContact CD1-CE2 4.24Å; I406-F419 HydrophobicContact CG1-CD2 4.23Å; I406-F419 HydrophobicContact CG1-CE2 3.88Å
407R89.3Confident85.6Confident79 Ų7965.7 Ų65.730%0.29834%0.337SS..EExtended strand (participates in β ladder)trans-108.2160.5-178.3-63.2169.2-172.4-95.25.8110.7D386 E387 N412 K413 C414D386-R407 IonicContact OD1-CZ 2.69Å; D386-R407 VanDerWaalsContact OD1-CZ 3.23Å; D386-R407 IonicContact OD1-NH1 3.68Å; D386-R407 PolarHBondContact OD1-NH1 2.89Å; D386-R407 IonicContact OD1-NH2 3.84Å; D386-R407 PolarHBondContact OD1-NH2 3.3Å; E387-R407 IonicContact OE1-NE 2.62Å; E387-R407 IonicContact OE1-NH2 2.69Å; E387-R407 IonicContact OE2-CZ 3.85Å; E387-R407 IonicContact OE2-NE 2.67Å; E387-R407 IonicContact OE2-NH2 3.74Å; E387-R407 PolarHBondContact OE2-NH2 2.89Å; R407-N412 WeakPolarHBondContact CD-O 3.32Å; R407-N412 PolarHBondContact NH1-O 3.42Å; R407-K413 CarbonylContact C-O 3.58Å; R407-K413 VanDerWaalsContact CA-O 3.3Å; R407-K413 WeakPolarHBondContact CA-O 3.28Å; R407-C414 PolarHBondContact NH1-SG 3.2Å
408D84.1Confident85.7Confident40 Ų4062.8 Ų62.821%0.21432%0.324CS..  trans-80.5139.8165.8-163.5-92.4000110.8N410 N412 K413 K415D408-N410 VanDerWaalsContact C-N 3.3Å; D408-N410 PolarHBondContact O-N 2.82Å; D408-N410 WeakPolarHBondContact OD1-CB 3.32Å; D408-N410 PolarHBondContact OD1-N 2.74Å; D408-N410 PolarHBondContact OD1-ND2 2.95Å; D408-N412 VanDerWaalsContact O-CA 3.23Å; D408-N412 WeakPolarHBondContact O-CA 3.43Å; D408-N412 PolarHBondContact O-N 2.82Å; D408-K413 PolarHBondContact N-O 2.78Å; D408-K415 HydrophobicContact CB-CG 4.33Å; D408-K415 WeakPolarHBondContact OD2-CE 3.42Å; D408-K415 IonicContact OD2-NZ 3.79Å; D408-K415 PolarHBondContact OD2-NZ 2.75Å
409F79.9Confident86Confident185 Ų18564.2 Ų64.281%0.81133%0.325SS*.THydrogen-bonded Turntrans-67.4-31.2-177.9-175.7-101.8000112.6
410N79.3Confident86.3Confident133 Ų13361.7 Ų61.771%0.71130%0.304SS*.THydrogen-bonded Turntrans-86.8-29.5-173.2-49.7-80000112.5D408D408-N410 VanDerWaalsContact C-N 3.3Å; D408-N410 PolarHBondContact O-N 2.82Å; D408-N410 WeakPolarHBondContact OD1-CB 3.32Å; D408-N410 PolarHBondContact OD1-N 2.74Å; D408-N410 PolarHBondContact OD1-ND2 2.95Å
411T81.2Confident86.3Confident89 Ų8961.9 Ų61.955%0.54631%0.306SS..THydrogen-bonded Turntrans-116.1-9.8-175.165.60000114.1K413T411-K413 PolarHBondContact O-N 3.01Å
412N76.6Confident86.4Confident112 Ų11258 Ų5860%0.59929%0.285SS*.  trans55.4-0.6-171.8-73.4-85.6000116.3R407 D408R407-N412 WeakPolarHBondContact CD-O 3.32Å; R407-N412 PolarHBondContact NH1-O 3.42Å; D408-N412 VanDerWaalsContact O-CA 3.23Å; D408-N412 WeakPolarHBondContact O-CA 3.43Å; D408-N412 PolarHBondContact O-N 2.82Å
413K81.6Confident86.5Confident95 Ų9556.8 Ų56.841%0.41328%0.281SS..  trans-72.8151.1173.1-75.9179175.3-76.30111.4P383 D384 R407 D408 T411P383-K413 HydrophobicContact CB-CB 4.26Å; P383-K413 HydrophobicContact CB-CD 4.35Å; P383-K413 WeakPolarHBondContact O-CA 3.29Å; P383-K413 WeakPolarHBondContact O-CB 3.09Å; D384-K413 VanDerWaalsContact CG-NZ 3.3Å; D384-K413 IonicContact OD1-NZ 2.68Å; D384-K413 PolarHBondContact OD1-NZ 3.46Å; D384-K413 IonicContact OD2-NZ 3.23Å; D384-K413 PolarHBondContact OD2-NZ 2.76Å; R407-K413 CarbonylContact C-O 3.58Å; R407-K413 VanDerWaalsContact CA-O 3.3Å; R407-K413 WeakPolarHBondContact CA-O 3.28Å; D408-K413 PolarHBondContact N-O 2.78Å; T411-K413 PolarHBondContact O-N 3.01Å
414C84.1Confident86.4Confident10 Ų1059.7 Ų59.77%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-72.6134.2-175.1-57.60000111.1S382 P383 S385 V405 R407 G416S382-C414 WeakPolarHBondContact O-CB 3.36Å; P383-C414 PolarHBondContact O-N 3.3Å; S385-C414 PolarHBondContact O-SG 2.86Å; V405-C414 HydrophobicContact CG1-CB 3.75Å; V405-C414 VanDerWaalsContact CG1-SG 3.55Å; R407-C414 PolarHBondContact NH1-SG 3.2Å; C414-G416 PolarHBondContact O-N 3.42Å
415K84.1Confident86.3Confident105 Ų10560.2 Ų60.246%0.45730%0.296SS..EExtended strand (participates in β ladder)trans-73.518.4178.7-76.3-177.8156.11590113.7I406 D408 F417I406-K415 HydrophobicContact CG2-CB 4.47Å; I406-K415 HydrophobicContact CG2-CD 4.16Å; I406-K415 WeakPolarHBondContact O-CB 3.31Å; I406-K415 PolarHBondContact O-N 3Å; D408-K415 HydrophobicContact CB-CG 4.33Å; D408-K415 WeakPolarHBondContact OD2-CE 3.42Å; D408-K415 IonicContact OD2-NZ 3.79Å; D408-K415 PolarHBondContact OD2-NZ 2.75Å; K415-F417 VanDerWaalsContact C-N 3.28Å; K415-F417 HydrophobicContact CB-CD1 4.06Å; K415-F417 HydrophobicContact CB-CE1 3.82Å; K415-F417 WeakPolarHBondContact O-CD1 3.43Å; K415-F417 PolarHBondContact O-N 2.95Å
416G85.3Confident86.3Confident8 Ų865.3 Ų65.38%0.08232%0.323CS..EExtended strand (participates in β ladder)trans74.19.1-176.200000114.8Y379 N380 L381 C414Y379-G416 CarbonylContact C-O 3.6Å; N380-G416 WeakPolarHBondContact CA-O 3.45Å; N380-G416 PolarHBondContact N-O 3.45Å; L381-G416 PolarHBondContact N-O 3.48Å; C414-G416 PolarHBondContact O-N 3.42Å
417F90.3Very high86.3Confident56 Ų5666 Ų6625%0.24633%0.325CS..EExtended strand (participates in β ladder)trans-148.4157.7178.171-89.6000114.7F377 V378 Y379 I406 K415 F419F377-F417 HydrophobicContact CE2-CB 3.92Å; F377-F417 AromaticContact CE2-CD2 3.77Å; F377-F417 HydrophobicContact CE2-CD2 3.77Å; F377-F417 HydrophobicContact CE2-CG 4.13Å; F377-F417 HydrophobicContact CZ-CB 4.21Å; V378-F417 CarbonylContact O-C 3.54Å; V378-F417 WeakPolarHBondContact O-CA 3.48Å; V378-F417 WeakPolarHBondContact O-CB 3.41Å; Y379-F417 HydrophobicContact CD2-CB 3.76Å; Y379-F417 HydrophobicContact CE2-CB 4.44Å; I406-F417 HydrophobicContact CB-CD2 4.01Å; I406-F417 HydrophobicContact CB-CE1 4.49Å; I406-F417 HydrophobicContact CB-CE2 3.69Å; I406-F417 HydrophobicContact CB-CZ 3.94Å; I406-F417 HydrophobicContact CG1-CD2 3.85Å; I406-F417 HydrophobicContact CG1-CE2 3.5Å; I406-F417 HydrophobicContact CG1-CZ 4.2Å; I406-F417 HydrophobicContact CG2-CE1 4.37Å; I406-F417 HydrophobicContact CG2-CE2 3.97Å; I406-F417 HydrophobicContact CG2-CZ 3.76Å; I406-F417 PolarHBondContact N-O 2.86Å; K415-F417 VanDerWaalsContact C-N 3.28Å; K415-F417 HydrophobicContact CB-CD1 4.06Å; K415-F417 HydrophobicContact CB-CE1 3.82Å; K415-F417 WeakPolarHBondContact O-CD1 3.43Å; K415-F417 PolarHBondContact O-N 2.95Å; F417-F419 HydrophobicContact CD2-CE2 4.21Å; F417-F419 HydrophobicContact CD2-CZ 4.42Å; F417-F419 HydrophobicContact CE2-CE2 4.17Å; F417-F419 HydrophobicContact CE2-CZ 4.39Å
418G90.4Very high86.3Confident0 Ų062.2 Ų62.20%031%0.311CS..EExtended strand (participates in β ladder)trans-156.3179179.200000112.2V378 K404V378-G418 PolarHBondContact N-O 2.69Å; V378-G418 PolarHBondContact O-N 3.03Å; K404-G418 CarbonylContact O-C 3.45Å; K404-G418 VanDerWaalsContact O-CA 3.24Å; K404-G418 WeakPolarHBondContact O-CA 3.43Å
419F92.8Very high86.6Confident49 Ų4961.8 Ų61.822%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-129.8139.7179.2-58.1-84.8000109.9I376 F377 V403 K404 I406 F417 K450I376-F419 WeakPolarHBondContact O-CA 3.45Å; F377-F419 HydrophobicContact CB-CE1 4.5Å; F377-F419 HydrophobicContact CD2-CD1 4.03Å; F377-F419 AromaticContact CD2-CE1 3.52Å; F377-F419 HydrophobicContact CD2-CE1 3.52Å; F377-F419 AromaticContact CD2-CZ 3.99Å; F377-F419 HydrophobicContact CD2-CZ 3.99Å; F377-F419 HydrophobicContact CE2-CE1 4.19Å; F377-F419 HydrophobicContact CE2-CZ 4.21Å; F377-F419 HydrophobicContact CG-CE1 4.42Å; V403-F419 WeakPolarHBondContact CA-O 3.49Å; K404-F419 PolarHBondContact N-O 2.94Å; K404-F419 PolarHBondContact O-N 3.33Å; I406-F419 HydrophobicContact CD1-CD2 4.39Å; I406-F419 HydrophobicContact CD1-CE2 4.24Å; I406-F419 HydrophobicContact CG1-CD2 4.23Å; I406-F419 HydrophobicContact CG1-CE2 3.88Å; F417-F419 HydrophobicContact CD2-CE2 4.21Å; F417-F419 HydrophobicContact CD2-CZ 4.42Å; F417-F419 HydrophobicContact CE2-CE2 4.17Å; F417-F419 HydrophobicContact CE2-CZ 4.39Å; F419-K450 HydrophobicContact CD1-CD 3.97Å; F419-K450 HydrophobicContact CD1-CG 4.45Å; F419-K450 HydrophobicContact CE1-CD 3.96Å; F419-K450 HydrophobicContact CE1-CG 4.21Å
420V92.6Very high87.1Confident0 Ų058.7 Ų58.70%030%0.303CS..EExtended strand (participates in β ladder)trans-123.6137.9173.3-178.70000107.6C375 I376 V378 L390 F394 V400 N402 V403 M422C375-V420 CarbonylContact C-O 3.58Å; C375-V420 WeakPolarHBondContact CA-O 3.19Å; I376-V420 HydrophobicContact CB-CB 4.41Å; I376-V420 PolarHBondContact N-O 2.79Å; I376-V420 PolarHBondContact O-N 3.47Å; V378-V420 HydrophobicContact CG2-CG2 4.17Å; L390-V420 HydrophobicContact CB-CG2 4.15Å; L390-V420 HydrophobicContact CD1-CG2 4.11Å; L390-V420 HydrophobicContact CD2-CG2 4.4Å; L390-V420 HydrophobicContact CG-CG2 4.47Å; F394-V420 HydrophobicContact CB-CG1 4.13Å; F394-V420 HydrophobicContact CD1-CB 4.47Å; F394-V420 HydrophobicContact CD1-CG1 3.99Å; F394-V420 HydrophobicContact CD2-CG1 4.37Å; F394-V420 HydrophobicContact CD2-CG2 3.96Å; F394-V420 HydrophobicContact CE2-CG2 3.97Å; F394-V420 HydrophobicContact CG-CB 4.49Å; F394-V420 HydrophobicContact CG-CG1 3.9Å; F394-V420 HydrophobicContact CG-CG2 4.31Å; F394-V420 HydrophobicContact CZ-CG2 4.34Å; V400-V420 HydrophobicContact CG1-CG1 3.83Å; V400-V420 HydrophobicContact CG2-CG1 4.32Å; N402-V420 CarbonylContact O-C 3.52Å; N402-V420 WeakPolarHBondContact O-CA 3.37Å; V403-V420 HydrophobicContact CG2-CG1 4.37Å; V403-V420 HydrophobicContact CG2-CG2 4.39Å; V420-M422 HydrophobicContact CG1-SD 4.22Å
421T90.8Very high87.7Confident25 Ų2552.4 Ų52.415%0.15327%0.269CS..EExtended strand (participates in β ladder)trans-118.5111.6177.3-60.70000108.7W374 N401 N402W374-T421 WeakPolarHBondContact O-CA 3.46Å; N401-T421 HydrophobicContact CB-CG2 4.42Å; N401-T421 WeakPolarHBondContact CB-O 3.44Å; N401-T421 PolarHBondContact N-O 3.13Å; N402-T421 PolarHBondContact N-O 2.96Å; N402-T421 PolarHBondContact O-N 2.93Å
422M88.7Confident88.2Confident0 Ų049.3 Ų49.30%025%0.249CC..EExtended strand (participates in β ladder)trans-86.9155174.7-55.9-66.1-75.500110.4G373 W374 I376 F394 F397 V400 V420 E427 A428G373-M422 CarbonylContact C-O 3.54Å; G373-M422 WeakPolarHBondContact CA-O 3.48Å; W374-M422 PolarHBondContact N-O 2.82Å; W374-M422 PolarHBondContact O-N 2.82Å; I376-M422 HydrophobicContact CD1-CG 3.6Å; I376-M422 HydrophobicContact CD1-SD 4.47Å; I376-M422 HydrophobicContact CG1-CG 4.4Å; F394-M422 HydrophobicContact CB-SD 4.31Å; F394-M422 HydrophobicContact CD1-SD 4.16Å; F397-M422 HydrophobicContact CB-CE 4.45Å; V400-M422 HydrophobicContact CG2-CE 4.49Å; V400-M422 HydrophobicContact CG2-SD 3.69Å; V420-M422 HydrophobicContact CG1-SD 4.22Å; M422-E427 HydrophobicContact CE-CB 4.06Å; M422-A428 HydrophobicContact CB-CB 3.92Å; M422-A428 HydrophobicContact CG-CB 3.78Å
423T87.2Confident88.9Confident60 Ų6047.7 Ų47.737%0.36825%0.251SS..SBendtrans-71.9-43.2171.752.60000112.6A399 N401A399-T423 HydrophobicContact CB-CG2 4.17Å; A399-T423 PolarHBondContact O-N 3.14Å; A399-T423 PolarHBondContact O-OG1 3.07Å; N401-T423 HydrophobicContact CB-CG2 4.29Å
424N88.6Confident89.3Confident74 Ų7446 Ų4640%0.39625%0.251SS..SBendtrans-110.3153.3-168.5-60.5-29.8000112.4E427 A428N424-E427 HydrophobicContact CB-CB 4.16Å; N424-E427 HydrophobicContact CB-CG 3.97Å; N424-E427 VanDerWaalsContact ND2-CD 3.31Å; N424-E427 PolarHBondContact ND2-OE1 3.06Å; N424-E427 PolarHBondContact ND2-OE2 3.48Å; N424-A428 WeakPolarHBondContact O-CB 3.4Å; N424-A428 PolarHBondContact O-N 3.48Å
425Y87.7Confident89.6Confident96 Ų9645.8 Ų45.838%0.37625%0.249SC..Hα-helixtrans-72.5-50.6-176.5176.3-116.2000112.1W374 E427 A428 A429 F449W374-Y425 AromaticContact CD2-CD2 3.66Å; W374-Y425 HydrophobicContact CD2-CD2 3.66Å; W374-Y425 HydrophobicContact CD2-CG 4.34Å; W374-Y425 AromaticContact CE2-CD2 3.87Å; W374-Y425 AromaticContact CE3-CD2 3.44Å; W374-Y425 HydrophobicContact CE3-CD2 3.44Å; W374-Y425 VanDerWaalsContact CE3-CD2 3.44Å; W374-Y425 HydrophobicContact CE3-CE2 4.04Å; W374-Y425 HydrophobicContact CE3-CG 4.47Å; W374-Y425 HydrophobicContact CG-CD2 4.45Å; W374-Y425 AromaticContact CH2-CD2 3.7Å; W374-Y425 HydrophobicContact CH2-CD2 3.7Å; W374-Y425 HydrophobicContact CH2-CE2 4.27Å; W374-Y425 HydrophobicContact CH2-CG 4.24Å; W374-Y425 AromaticContact CZ2-CD2 3.9Å; W374-Y425 HydrophobicContact CZ2-CD2 3.9Å; W374-Y425 HydrophobicContact CZ2-CG 4.1Å; W374-Y425 AromaticContact CZ3-CD2 3.46Å; W374-Y425 HydrophobicContact CZ3-CD2 3.46Å; W374-Y425 VanDerWaalsContact CZ3-CD2 3.46Å; W374-Y425 AromaticContact CZ3-CE2 3.82Å; W374-Y425 HydrophobicContact CZ3-CE2 3.82Å; W374-Y425 HydrophobicContact CZ3-CG 4.42Å; Y425-E427 PolarHBondContact O-N 2.94Å; Y425-A428 CarbonylContact O-C 3.56Å; Y425-A428 WeakPolarHBondContact O-CA 3.26Å; Y425-A428 WeakPolarHBondContact O-CB 3.41Å; Y425-A428 PolarHBondContact O-N 2.88Å; Y425-A429 PolarHBondContact O-N 3.25Å; Y425-F449 HydrophobicContact CD2-CE1 4.29Å; Y425-F449 AromaticContact CD2-CZ 3.86Å; Y425-F449 HydrophobicContact CD2-CZ 3.86Å; Y425-F449 HydrophobicContact CE2-CE1 4.15Å; Y425-F449 AromaticContact CE2-CE2 3.83Å; Y425-F449 HydrophobicContact CE2-CE2 3.83Å; Y425-F449 AromaticContact CE2-CZ 3.43Å; Y425-F449 HydrophobicContact CE2-CZ 3.43Å; Y425-F449 VanDerWaalsContact CE2-CZ 3.43Å
426D88.9Confident89.9Confident115 Ų11545 Ų4562%0.61525%0.25SS*.Hα-helixtrans-69.4-37.9-171-49-90.3000110.7A428 A429 M430D426-A428 VanDerWaalsContact C-N 3.35Å; D426-A428 PolarHBondContact O-N 2.78Å; D426-A429 PolarHBondContact O-N 3Å; D426-M430 WeakPolarHBondContact O-CB 3.36Å; D426-M430 VanDerWaalsContact O-CG 3.23Å; D426-M430 WeakPolarHBondContact O-CG 3.31Å; D426-M430 PolarHBondContact O-N 3.18Å
427E89.4Confident90.1Very high54 Ų5446.8 Ų46.825%0.25227%0.268SS..Hα-helixtrans-56.2-45.3166.9-68.1175.4-162.100111.9F397 G398 A399 M422 N424 Y425 A431F397-E427 VanDerWaalsContact O-CB 3.28Å; F397-E427 WeakPolarHBondContact O-CB 3.48Å; F397-E427 WeakPolarHBondContact O-CG 3.35Å; G398-E427 WeakPolarHBondContact CA-OE2 3.45Å; A399-E427 PolarHBondContact N-OE2 3.23Å; M422-E427 HydrophobicContact CE-CB 4.06Å; N424-E427 HydrophobicContact CB-CB 4.16Å; N424-E427 HydrophobicContact CB-CG 3.97Å; N424-E427 VanDerWaalsContact ND2-CD 3.31Å; N424-E427 PolarHBondContact ND2-OE1 3.06Å; N424-E427 PolarHBondContact ND2-OE2 3.48Å; Y425-E427 PolarHBondContact O-N 2.94Å; E427-A431 VanDerWaalsContact O-CB 3.31Å; E427-A431 WeakPolarHBondContact O-CB 3.3Å; E427-A431 PolarHBondContact O-N 2.84Å
428A89.1Confident90.1Very high0 Ų049 Ų490%028%0.276CS..Hα-helixtrans-67.2-40177.800000112.7W374 I376 M422 N424 Y425 D426 A431 I432 F449W374-A428 HydrophobicContact CB-CB 3.82Å; I376-A428 HydrophobicContact CD1-CB 3.92Å; I376-A428 HydrophobicContact CG1-CB 4.3Å; M422-A428 HydrophobicContact CB-CB 3.92Å; M422-A428 HydrophobicContact CG-CB 3.78Å; N424-A428 WeakPolarHBondContact O-CB 3.4Å; N424-A428 PolarHBondContact O-N 3.48Å; Y425-A428 CarbonylContact O-C 3.56Å; Y425-A428 WeakPolarHBondContact O-CA 3.26Å; Y425-A428 WeakPolarHBondContact O-CB 3.41Å; Y425-A428 PolarHBondContact O-N 2.88Å; D426-A428 VanDerWaalsContact C-N 3.35Å; D426-A428 PolarHBondContact O-N 2.78Å; A428-A431 PolarHBondContact O-N 2.74Å; A428-I432 WeakPolarHBondContact O-CB 3.48Å; A428-I432 WeakPolarHBondContact O-CD1 3.44Å; A428-I432 VanDerWaalsContact O-CG1 3.26Å; A428-I432 WeakPolarHBondContact O-CG1 3.25Å; A428-I432 PolarHBondContact O-N 3.44Å; A428-F449 HydrophobicContact CB-CE1 3.79Å; A428-F449 HydrophobicContact CB-CZ 4.19Å
429A89.9Confident90Very high32 Ų3257.8 Ų57.826%0.26431%0.308SS..Hα-helixtrans-66-42.7176.600000111.6Y425 D426 I432 A433 F449Y425-A429 PolarHBondContact O-N 3.25Å; D426-A429 PolarHBondContact O-N 3Å; A429-I432 PolarHBondContact O-N 2.84Å; A429-A433 WeakPolarHBondContact O-CB 3.17Å; A429-A433 PolarHBondContact O-N 2.93Å; A429-F449 HydrophobicContact CB-CZ 4.21Å
430M90Very high89.6Confident120 Ų12057.2 Ų57.259%0.59131%0.308SS*.Hα-helixtrans-64.8-40.7174.6-71.8-67.2-71.800111.9D426 A433 S434D426-M430 WeakPolarHBondContact O-CB 3.36Å; D426-M430 VanDerWaalsContact O-CG 3.23Å; D426-M430 WeakPolarHBondContact O-CG 3.31Å; D426-M430 PolarHBondContact O-N 3.18Å; M430-A433 PolarHBondContact O-N 3.28Å; M430-S434 VanDerWaalsContact O-CB 3.3Å; M430-S434 WeakPolarHBondContact O-CB 3.37Å; M430-S434 PolarHBondContact O-N 3.14Å; M430-S434 PolarHBondContact O-OG 3.05Å
431A92.3Very high89.1Confident0 Ų060.2 Ų60.20%034%0.338CS..Hα-helixtrans-62.4-45.8173.600000111.7I376 F394 F397 E427 A428 S434 L435I376-A431 HydrophobicContact CD1-CB 4.38Å; F394-A431 HydrophobicContact CD1-CB 3.75Å; F394-A431 HydrophobicContact CE1-CB 3.88Å; F397-A431 HydrophobicContact CB-CB 3.7Å; F397-A431 HydrophobicContact CD1-CB 4.45Å; F397-A431 HydrophobicContact CD2-CB 4.15Å; F397-A431 HydrophobicContact CG-CB 3.85Å; E427-A431 VanDerWaalsContact O-CB 3.31Å; E427-A431 WeakPolarHBondContact O-CB 3.3Å; E427-A431 PolarHBondContact O-N 2.84Å; A428-A431 PolarHBondContact O-N 2.74Å; A431-S434 PolarHBondContact O-N 3.03Å; A431-L435 HydrophobicContact CB-CD1 4.48Å; A431-L435 VanDerWaalsContact O-CB 3.22Å; A431-L435 WeakPolarHBondContact O-CB 3.48Å; A431-L435 WeakPolarHBondContact O-CG 3.43Å; A431-L435 PolarHBondContact O-N 2.95Å
432I92.5Very high88.8Confident24 Ų2467 Ų6712%0.12337%0.374CS..Hα-helixtrans-59-50.5174.9-74.2159.7000110.8I376 A428 A429 S434 L435 N436 V447 F449I376-I432 HydrophobicContact CD1-CD1 4.41Å; I376-I432 HydrophobicContact CD1-CG1 4.2Å; I376-I432 HydrophobicContact CG1-CD1 4.18Å; I376-I432 HydrophobicContact CG1-CG1 4.33Å; I376-I432 HydrophobicContact CG2-CD1 4.33Å; I376-I432 HydrophobicContact CG2-CG1 3.88Å; A428-I432 WeakPolarHBondContact O-CB 3.48Å; A428-I432 WeakPolarHBondContact O-CD1 3.44Å; A428-I432 VanDerWaalsContact O-CG1 3.26Å; A428-I432 WeakPolarHBondContact O-CG1 3.25Å; A428-I432 PolarHBondContact O-N 3.44Å; A429-I432 PolarHBondContact O-N 2.84Å; I432-S434 PolarHBondContact O-N 2.8Å; I432-L435 PolarHBondContact O-N 3.26Å; I432-N436 WeakPolarHBondContact O-CB 3.23Å; I432-N436 PolarHBondContact O-N 2.89Å; I432-V447 HydrophobicContact CB-CG1 4.46Å; I432-V447 HydrophobicContact CG1-CG1 3.96Å; I432-F449 HydrophobicContact CD1-CB 4.41Å; I432-F449 HydrophobicContact CD1-CD1 3.58Å; I432-F449 HydrophobicContact CD1-CD2 3.53Å; I432-F449 HydrophobicContact CD1-CE1 3.56Å; I432-F449 HydrophobicContact CD1-CE2 3.52Å; I432-F449 HydrophobicContact CD1-CG 3.56Å; I432-F449 HydrophobicContact CD1-CZ 3.53Å
433A90.3Very high88.7Confident79 Ų7971.6 Ų71.665%0.65339%0.391SS*.Hα-helixtrans-62.4-30.1-178.300000113.2A429 M430A429-A433 WeakPolarHBondContact O-CB 3.17Å; A429-A433 PolarHBondContact O-N 2.93Å; M430-A433 PolarHBondContact O-N 3.28Å
434S89.6Confident88.9Confident58 Ų5871.3 Ų71.341%0.40639%0.389SS..Hα-helixtrans-92.7-27.4-177-51.90000114F397 M430 A431 I432F397-S434 VanDerWaalsContact CE1-OG 3.31Å; F397-S434 WeakPolarHBondContact CE1-OG 3.39Å; F397-S434 VanDerWaalsContact CZ-CB 3.41Å; M430-S434 VanDerWaalsContact O-CB 3.3Å; M430-S434 WeakPolarHBondContact O-CB 3.37Å; M430-S434 PolarHBondContact O-N 3.14Å; M430-S434 PolarHBondContact O-OG 3.05Å; A431-S434 PolarHBondContact O-N 3.03Å; I432-S434 PolarHBondContact O-N 2.8Å
435L91Very high89.1Confident6 Ų667.8 Ų67.83%0.03137%0.37CS..Hα-helixtrans-104.5-17.5-175.5-62.1172.2000113.7L393 F394 F397 A431 I432 G437 Y438 V447L393-L435 HydrophobicContact CB-CD1 4.3Å; L393-L435 HydrophobicContact CB-CD2 4.37Å; L393-L435 HydrophobicContact CD2-CD2 4.16Å; F394-L435 HydrophobicContact CD1-CD1 3.88Å; F394-L435 HydrophobicContact CD2-CD1 3.79Å; F394-L435 HydrophobicContact CE1-CD1 3.68Å; F394-L435 HydrophobicContact CE2-CD1 3.61Å; F394-L435 HydrophobicContact CG-CD1 3.93Å; F394-L435 HydrophobicContact CZ-CD1 3.55Å; F397-L435 HydrophobicContact CD2-CD1 4.11Å; F397-L435 HydrophobicContact CE2-CD1 3.88Å; F397-L435 HydrophobicContact CE2-CD2 3.99Å; F397-L435 HydrophobicContact CE2-CG 3.86Å; F397-L435 HydrophobicContact CZ-CD2 4.47Å; F397-L435 HydrophobicContact CZ-CG 4.35Å; A431-L435 HydrophobicContact CB-CD1 4.48Å; A431-L435 VanDerWaalsContact O-CB 3.22Å; A431-L435 WeakPolarHBondContact O-CB 3.48Å; A431-L435 WeakPolarHBondContact O-CG 3.43Å; A431-L435 PolarHBondContact O-N 2.95Å; I432-L435 PolarHBondContact O-N 3.26Å; L435-G437 PolarHBondContact O-N 3.47Å; L435-Y438 HydrophobicContact CD2-CD2 4.32Å; L435-Y438 HydrophobicContact CD2-CG 4.33Å; L435-Y438 WeakPolarHBondContact O-CB 3.09Å; L435-Y438 PolarHBondContact O-N 3.27Å; L435-V447 HydrophobicContact CB-CG2 3.96Å; L435-V447 WeakPolarHBondContact O-CG2 3.49Å
436N91.1Very high89.2Confident90 Ų9068.4 Ų68.448%0.48138%0.377SS..THydrogen-bonded Turntrans-70.5114.8172-17138.4000109.9I432 Q446 V447I432-N436 WeakPolarHBondContact O-CB 3.23Å; I432-N436 PolarHBondContact O-N 2.89Å; N436-Q446 WeakPolarHBondContact OD1-CA 3.45Å; N436-V447 HydrophobicContact CB-CB 4Å; N436-V447 WeakPolarHBondContact CB-O 3.22Å; N436-V447 PolarHBondContact OD1-N 3.33Å; N436-V447 PolarHBondContact OD1-O 2.83Å
437G88.4Confident89.4Confident44 Ų4463 Ų6345%0.45435%0.348SS..THydrogen-bonded Turntrans95.2-0.5-169.800000114.6L435 L445L435-G437 PolarHBondContact O-N 3.47Å; G437-L445 PolarHBondContact N-O 2.87Å
438Y90.3Very high89.5Confident104 Ų10463 Ų6341%0.40835%0.353SS..  trans-66.3137.3178.7-175.5-91.8000112L393 L435 L440 V444 L445L393-Y438 HydrophobicContact CD2-CD1 4.23Å; L393-Y438 HydrophobicContact CD2-CE1 3.72Å; L435-Y438 HydrophobicContact CD2-CD2 4.32Å; L435-Y438 HydrophobicContact CD2-CG 4.33Å; L435-Y438 WeakPolarHBondContact O-CB 3.09Å; L435-Y438 PolarHBondContact O-N 3.27Å; Y438-L440 HydrophobicContact CD1-CB 4.41Å; Y438-L440 HydrophobicContact CE1-CB 4.47Å; Y438-L440 HydrophobicContact CE1-CD1 4.45Å; Y438-V444 CarbonylContact O-C 3.59Å; Y438-V444 WeakPolarHBondContact O-CA 3.32Å; Y438-L445 HydrophobicContact CD1-CD1 4.07Å; Y438-L445 PolarHBondContact O-N 2.92Å
439R89.4Confident89.6Confident183 Ų18365.7 Ų65.769%0.69137%0.365SS*.EExtended strand (participates in β ladder)trans-91108.9179.2-73177.2178.6-97.81.9111R443 V444R439-R443 CarbonylContact C-O 3.59Å; R439-R443 WeakPolarHBondContact CA-O 3.38Å; R439-V444 HydrophobicContact CG-CG2 4.14Å
440L84.1Confident89.3Confident38 Ų3868.6 Ų68.620%0.19937%0.372CS..EExtended strand (participates in β ladder)trans-10688.4174.4-173.268.4000108.9L381 V389 Y438 R443 L445L381-L440 HydrophobicContact CD2-CD2 4.25Å; V389-L440 HydrophobicContact CG1-CD1 3.87Å; V389-L440 HydrophobicContact CG1-CD2 3.95Å; Y438-L440 HydrophobicContact CD1-CB 4.41Å; Y438-L440 HydrophobicContact CE1-CB 4.47Å; Y438-L440 HydrophobicContact CE1-CD1 4.45Å; L440-R443 PolarHBondContact N-O 3.37Å; L440-R443 PolarHBondContact O-N 2.9Å; L440-L445 HydrophobicContact CB-CD1 4.11Å; L440-L445 HydrophobicContact CB-CD2 4Å; L440-L445 HydrophobicContact CB-CG 3.97Å; L440-L445 HydrophobicContact CD2-CD1 4.27Å; L440-L445 HydrophobicContact CD2-CD2 4.07Å
441G82.4Confident88.6Confident62 Ų6268.5 Ų68.564%0.63938%0.379SS*.THydrogen-bonded Turntrans64.4-140-165.200000110.9R443G441-R443 PolarHBondContact O-N 3.36Å; G441-R443 VanDerWaalsContact O-N 3.14Å
442D84.8Confident86.8Confident169 Ų16972.7 Ų72.790%0.90440%0.401SS*.THydrogen-bonded Turntrans-71.1-0.9178.6-56.2-69.6000114.5
443R86.4Confident84.6Confident95 Ų9580.5 Ų80.536%0.35843%0.434SS..EExtended strand (participates in β ladder)trans-107.6136.6-177.5-64.2-172.8-179.6-147-12.5112.4N380 L381 R439 L440 G441N380-R443 WeakPolarHBondContact O-CB 3.4Å; N380-R443 WeakPolarHBondContact O-CD 3.26Å; L381-R443 WeakPolarHBondContact O-CD 3.45Å; L381-R443 PolarHBondContact O-NH1 3.44Å; R439-R443 CarbonylContact C-O 3.59Å; R439-R443 WeakPolarHBondContact CA-O 3.38Å; L440-R443 PolarHBondContact N-O 3.37Å; L440-R443 PolarHBondContact O-N 2.9Å; G441-R443 PolarHBondContact O-N 3.36Å; G441-R443 VanDerWaalsContact O-N 3.14Å
444V91.3Very high82.2Confident54 Ų5483 Ų8333%0.32744%0.441SS..EExtended strand (participates in β ladder)trans-93113.4171.6-179.90000108.2N380 Y438 R439N380-V444 WeakPolarHBondContact CB-O 3.4Å; N380-V444 PolarHBondContact ND2-O 2.97Å; Y438-V444 CarbonylContact O-C 3.59Å; Y438-V444 WeakPolarHBondContact O-CA 3.32Å; R439-V444 HydrophobicContact CG-CG2 4.14Å
445L92.4Very high79.6Confident1 Ų188.7 Ų88.71%0.00546%0.461CS..  trans-66.8138.5178-59.4-173.9000110.6L381 L393 G437 Y438 L440 V447L381-L445 HydrophobicContact CD2-CD2 3.79Å; L381-L445 HydrophobicContact CG-CD2 4.47Å; L393-L445 HydrophobicContact CD1-CD1 3.91Å; G437-L445 PolarHBondContact N-O 2.87Å; Y438-L445 HydrophobicContact CD1-CD1 4.07Å; Y438-L445 PolarHBondContact O-N 2.92Å; L440-L445 HydrophobicContact CB-CD1 4.11Å; L440-L445 HydrophobicContact CB-CD2 4Å; L440-L445 HydrophobicContact CB-CG 3.97Å; L440-L445 HydrophobicContact CD2-CD1 4.27Å; L440-L445 HydrophobicContact CD2-CD2 4.07Å; L445-V447 HydrophobicContact CB-CG2 4.29Å
446Q90.7Very high76.9Confident108 Ų10898.2 Ų98.251%0.50550%0.502SS..EExtended strand (participates in β ladder)trans-107.9125.7168.4-70.7179.2-1200108.3V378 Y379 N436V378-Q446 WeakPolarHBondContact CA-O 3.48Å; Y379-Q446 PolarHBondContact N-O 3.15Å; Y379-Q446 PolarHBondContact O-N 2.89Å; N436-Q446 WeakPolarHBondContact OD1-CA 3.45Å
447V93.1Very high74.1Confident2 Ų2102.9 Ų102.91%0.01254%0.542CS..EExtended strand (participates in β ladder)trans-131.1127.4-172.1-173.20000108.9I376 F377 V378 F394 I432 L435 N436 L445I376-V447 HydrophobicContact CG2-CG1 3.43Å; I376-V447 VanDerWaalsContact CG2-CG1 3.43Å; F377-V447 WeakPolarHBondContact O-CA 3.49Å; V378-V447 HydrophobicContact CG1-CG2 4.29Å; V378-V447 HydrophobicContact CG2-CG1 4.39Å; V378-V447 HydrophobicContact CG2-CG2 4.49Å; F394-V447 HydrophobicContact CE1-CG1 4.22Å; F394-V447 HydrophobicContact CZ-CG1 3.81Å; I432-V447 HydrophobicContact CB-CG1 4.46Å; I432-V447 HydrophobicContact CG1-CG1 3.96Å; L435-V447 HydrophobicContact CB-CG2 3.96Å; L435-V447 WeakPolarHBondContact O-CG2 3.49Å; N436-V447 HydrophobicContact CB-CB 4Å; N436-V447 WeakPolarHBondContact CB-O 3.22Å; N436-V447 PolarHBondContact OD1-N 3.33Å; N436-V447 PolarHBondContact OD1-O 2.83Å; L445-V447 HydrophobicContact CB-CG2 4.29Å
448S90.6Very high73.4Confident53 Ų53105.8 Ų105.837%0.37155%0.546SS..EExtended strand (participates in β ladder)trans-156.3162.9-176.760.10000112.1I376 F377 K450I376-S448 CarbonylContact C-O 3.55Å; I376-S448 WeakPolarHBondContact CA-O 3.48Å; I376-S448 WeakPolarHBondContact CG2-O 3.25Å; F377-S448 PolarHBondContact N-O 2.83Å; F377-S448 PolarHBondContact O-N 2.68Å; S448-K450 PolarHBondContact O-N 2.95Å
449F91.1Very high72.5Confident57 Ų57105.9 Ų105.925%0.2555%0.553CS.*EExtended strand (participates in β ladder)trans-64.2135.3169.6-73.8-66.5000110.5W374 Y425 A428 A429 I432 T451W374-F449 HydrophobicContact CB-CE1 4.32Å; W374-F449 HydrophobicContact CE3-CE1 4.14Å; Y425-F449 HydrophobicContact CD2-CE1 4.29Å; Y425-F449 AromaticContact CD2-CZ 3.86Å; Y425-F449 HydrophobicContact CD2-CZ 3.86Å; Y425-F449 HydrophobicContact CE2-CE1 4.15Å; Y425-F449 AromaticContact CE2-CE2 3.83Å; Y425-F449 HydrophobicContact CE2-CE2 3.83Å; Y425-F449 AromaticContact CE2-CZ 3.43Å; Y425-F449 HydrophobicContact CE2-CZ 3.43Å; Y425-F449 VanDerWaalsContact CE2-CZ 3.43Å; A428-F449 HydrophobicContact CB-CE1 3.79Å; A428-F449 HydrophobicContact CB-CZ 4.19Å; A429-F449 HydrophobicContact CB-CZ 4.21Å; I432-F449 HydrophobicContact CD1-CB 4.41Å; I432-F449 HydrophobicContact CD1-CD1 3.58Å; I432-F449 HydrophobicContact CD1-CD2 3.53Å; I432-F449 HydrophobicContact CD1-CE1 3.56Å; I432-F449 HydrophobicContact CD1-CE2 3.52Å; I432-F449 HydrophobicContact CD1-CG 3.56Å; I432-F449 HydrophobicContact CD1-CZ 3.53Å; F449-T451 PolarHBondContact O-N 3.47Å
450K83.5Confident71.6Confident94 Ų94101.6 Ų101.641%0.40955%0.546SS..  trans-65106.2178.4178.6-172.6170.5-173.70110.2C375 F377 F419 S448C375-K450 HydrophobicContact CB-CB 4.14Å; C375-K450 HydrophobicContact CB-CD 4.09Å; C375-K450 VanDerWaalsContact O-CB 3.26Å; C375-K450 WeakPolarHBondContact O-CB 3.46Å; C375-K450 PolarHBondContact O-N 2.83Å; C375-K450 VanDerWaalsContact SG-CD 3.5Å; F377-K450 HydrophobicContact CB-CB 4.43Å; F419-K450 HydrophobicContact CD1-CD 3.97Å; F419-K450 HydrophobicContact CD1-CG 4.45Å; F419-K450 HydrophobicContact CE1-CD 3.96Å; F419-K450 HydrophobicContact CE1-CG 4.21Å; S448-K450 PolarHBondContact O-N 2.95Å
451T76.5Confident70.8Confident118 Ų118105.4 Ų105.472%0.72457%0.566SS**  trans-73.3128.6172.152.30000110.5F449 K453F449-T451 PolarHBondContact O-N 3.47Å; T451-K453 PolarHBondContact O-N 2.96Å
452N53Low70.1Confident88 Ų88108.1 Ų108.147%0.47156%0.562SS.*  trans-76.4106.9169.2-75.3-47.3000108.4G368 T454G368-N452 PolarHBondContact O-ND2 3.41Å; N452-T454 PolarHBondContact O-N 3.11Å
453K46.3Very low69.1Low188 Ų188104 Ų10482%0.81754%0.539SS*.  trans-64.997.9167.8-76.9-173.2175.7-177.60108.9T451 H455T451-K453 PolarHBondContact O-N 2.96Å; K453-H455 PolarHBondContact O-N 3.02Å
454T39.9Very low67.9Low132 Ų132104.6 Ų104.681%0.8155%0.552SS**  trans-58.6116.3158.139.60000107.4N452 K456N452-T454 PolarHBondContact O-N 3.11Å; T454-K456 PolarHBondContact O-N 3.37Å; T454-K456 VanDerWaalsContact O-N 3.11Å
455H35.2Very low66.1Low177 Ų177108.5 Ų108.582%0.81957%0.569SS**  trans-62.6115.9165.3-91.1-108.9000107K453 S457K453-H455 PolarHBondContact O-N 3.02Å; H455-S457 PolarHBondContact O-N 2.99Å
456K34.7Very low63.9Low206 Ų206117.5 Ų117.590%0.89662%0.616SS**  trans-67115.5161.8-119.8-178176-174.80106.1T454T454-K456 PolarHBondContact O-N 3.37Å; T454-K456 VanDerWaalsContact O-N 3.11Å
457S32.4Very low61.5Low187 Ų187118.4 Ų118.4100%1.30863%0.626SS**  trans-64.10171.1-53.40000111.7H455H455-S457 PolarHBondContact O-N 2.99Å

Retrieved 457 of 457 residues in 185.4 ms (Link to these results)