A0A087YKT7_POEFO Loading...

Leupaxin

AlphaFold DB , UniProt , Accession A0A087YKT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.7Low55.8Low208 Ų208142.8 Ų142.8100%1.02572%0.721SS**  051.10-170.2173.6-77.100108.1
2D57Low55.3Low126 Ų126137.3 Ų137.367%0.67471%0.714SS**  trans-1339.3-144.9-36.4-61.7000114.7
3E61.4Low54.6Low168 Ų168138 Ų13879%0.78572%0.717SS**SBendtrans-95.5-20.1177.1-70.9-174.512200113.6
4L57.2Low53.1Low133 Ų133136.6 Ų136.670%0.69673%0.725SS**Hα-helixtrans-78.9-36.9178.1-99.674.3000112.8L6 L7 L8L4-L6 PolarHBondContact O-N 2.82Å; L4-L7 PolarHBondContact O-N 3.29Å; L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 PolarHBondContact O-N 3.47Å
5D60.8Low52.3Low115 Ų115135.9 Ų135.962%0.61573%0.731SS**Hα-helixtrans-70-34.5-175.9-70.8-13.7000112.1L7 L8 E9D5-L7 PolarHBondContact O-N 2.8Å; D5-L8 PolarHBondContact O-N 3Å; D5-L8 VanDerWaalsContact O-N 3.12Å; D5-E9 PolarHBondContact O-N 3.32Å
6L57.2Low51.5Low127 Ų127136.3 Ų136.367%0.66574%0.74SS**Hα-helixtrans-61.8-29.7174.2-86.4164.3000113.3L4L4-L6 PolarHBondContact O-N 2.82Å
7L53.9Low50.2Low112 Ų112132.9 Ų132.959%0.58675%0.745SS**Hα-helixtrans-81.2-19.7176.7-74.8167.7000113.3L4 D5L4-L7 PolarHBondContact O-N 3.29Å; D5-L7 PolarHBondContact O-N 2.8Å
8L58.6Low49.4Very low124 Ų124131.6 Ų131.665%0.64975%0.746SS**Hα-helixtrans-79.9-31.7173.8-94.580.6000112.1L4 D5L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 PolarHBondContact O-N 3.47Å; D5-L8 PolarHBondContact O-N 3Å; D5-L8 VanDerWaalsContact O-N 3.12Å
9E57.1Low48.3Very low141 Ų141133.1 Ų133.166%0.65975%0.752SS**Hα-helixtrans-79.9-28.4-175.8-159.5150.6-145.800112.9D5 L11 A12D5-E9 PolarHBondContact O-N 3.32Å; E9-L11 VanDerWaalsContact C-N 3.26Å; E9-L11 PolarHBondContact O-N 3.2Å; E9-A12 PolarHBondContact O-N 2.8Å
10E52.5Low47.3Very low156 Ų156131.6 Ų131.673%0.72975%0.75SS**THydrogen-bonded Turntrans-68.8-21.6176.4-162.1168.5-148.300113.3
11L45Very low46.5Very low161 Ų161132.1 Ų132.184%0.84375%0.75SS**THydrogen-bonded Turntrans-83.1-8.9174.7-68.7174.5000113.9E9E9-L11 VanDerWaalsContact C-N 3.26Å; E9-L11 PolarHBondContact O-N 3.2Å
12A48.8Very low45.5Very low77 Ų77129.5 Ų129.564%0.63674%0.735SS**SBendtrans-92.6-9.8-175.100000114.5E9E9-A12 PolarHBondContact O-N 2.8Å
13L46.3Very low44Very low146 Ų146131.6 Ų131.676%0.76474%0.741SS**  trans-132.977.7-168.8-69.2175.3000114.4
14S34Very low42.4Very low118 Ų118126.9 Ų126.983%0.82573%0.73SS**  trans-149.2132.6145.551.20000112.2
15P40.7Very low41Very low126 Ų126126 Ų12682%0.81873%0.731SS**  trans-98.6163.9-170.136.7-33.6000114.1
16T40.1Very low39.4Very low142 Ų142126.9 Ų126.987%0.87174%0.741SS**  trans-58.6134.1174.150.40000113.4
17G29.7Very low38Very low80 Ų80124.7 Ų124.783%0.82574%0.741SS**  trans-135121.5170.100000111.5
18S34.7Very low36.8Very low108 Ų108126 Ų12676%0.75575%0.754SS**  trans-98.4149.4-164.8-42.30000114.2
19N28.8Very low35.2Very low161 Ų161124.2 Ų124.286%0.86177%0.765SS**  trans179.7110.6144.9-89.8-23.6000106.9
20S29.1Very low33.8Very low102 Ų102121.4 Ų121.471%0.71377%0.774SS**  cis78.19538.5-155.80000114.8
21L29Very low32.7Very low143 Ų143123.7 Ų123.775%0.74979%0.785SS**  -162.3114127.3-121.576.7000107.4
22Q33.3Very low32.1Very low153 Ų153120.4 Ų120.472%0.71578%0.781SS**  58.6127113.6-66.2175.6-23.200115.5
23E26.4Very low31.6Very low170 Ų170122.6 Ų122.679%0.79479%0.788SS**  cis-164-179.8-3.2-123.1179.778.900107.5
24A27.5Very low30.8Very low69 Ų69120.1 Ų120.157%0.5779%0.789SS**  cis-154.3162.915.700000113.9
25T27.3Very low30.7Very low114 Ų114118.5 Ų118.570%0.69978%0.783SS**  trans43.7114.7147.559.20000124.1
26T26.6Very low30.3Very low134 Ų134120 Ų12082%0.82278%0.782SS**  trans65.1139.4132.859.70000121
27A29.1Very low29.9Very low81 Ų81120.6 Ų120.667%0.66978%0.78SS**  cis-164.2156.1-11.200000111.8
28T27.9Very low30Very low140 Ų140123.6 Ų123.686%0.85978%0.781SS**  trans50107.5154.346.90000121.8
29G25Very low29.7Very low87 Ų87121.8 Ų121.890%0.89778%0.779SS**  90115.5106.400000119.9
30G27.8Very low29.8Very low81 Ų81121.8 Ų121.884%0.83578%0.779SS**  trans160.699164.700000113.6
31Q28.9Very low29.8Very low204 Ų204126.7 Ų126.795%0.95379%0.788SS**  trans-72.3146.8175.2-75.2168.5-25.400111.7
32A33.2Very low29.9Very low92 Ų92129.3 Ų129.376%0.7679%0.793SS**  trans-104.8142172.800000110.9
33P38Very low29.7Very low123 Ų123132.3 Ų132.380%0.79980%0.798SS**  trans-81.6146.116533.1-31.6000110.7
34A29.8Very low29.7Very low94 Ų94130.7 Ų130.778%0.77779%0.79SS**  trans-78.3137.5-174.400000112.9
35A31.4Very low29.5Very low84 Ų84135.9 Ų135.969%0.69480%0.8SS**  trans-85.6115.515900000108.7L37A35-L37 PolarHBondContact O-N 2.85Å
36I32.9Very low29.4Very low157 Ų157135.5 Ų135.581%0.80580%0.802SS**  trans-79.3104.1172.7-61-179000108.1
37L32.3Very low29.5Very low156 Ų156134.4 Ų134.482%0.81780%0.8SS**  trans-98.4115.5172.7-64.7173.4000109.3A35 G39A35-L37 PolarHBondContact O-N 2.85Å; L37-G39 PolarHBondContact O-N 3.31Å
38V30.5Very low29.4Very low143 Ų143135.7 Ų135.787%0.86781%0.81SS**  trans-81.5107.8165.3179.80000107.6
39G27.7Very low29.3Very low69 Ų69132.5 Ų132.571%0.71181%0.805SS**  trans-100.8107.6-174.100000113.1L37L37-G39 PolarHBondContact O-N 3.31Å
40D31.1Very low29.6Very low161 Ų161133.7 Ų133.786%0.86180%0.8SS**  trans-73.3140.7171.3-128.5-55.1000111.9
41K30.2Very low29.6Very low206 Ų206138 Ų13890%0.89680%0.804SS**  trans-96.6117.3-178.4-84.5-176.2178.1174.30111.5
42K31.1Very low29.6Very low197 Ų197134.4 Ų134.486%0.85780%0.796SS**  trans-115.1134.1178.2-175179.8-174.5176.20111.9
43R28.6Very low29.3Very low216 Ų216138.1 Ų138.182%0.81579%0.791SS**  trans-168.9109.7142.6-106.7-170.8146.5160.10.7110.1
44E26.4Very low29.2Very low136 Ų136137.2 Ų137.264%0.63679%0.788SS**  76.6131.1102.8-71.7-172.5129.600113
45K24.6Very low29.6Very low179 Ų179139.4 Ų139.478%0.77879%0.787SS**  cis-167146.541.1-145176.1-170.8177.90112.6
46S24.8Very low29.5Very low105 Ų105142.3 Ų142.373%0.73479%0.79SS**  trans48.7142.8150.1490000121.8
47S28Very low29.7Very low111 Ų111140.2 Ų140.278%0.77679%0.786SS**  cis-170.9156.32.449.50000113.1
48A26.9Very low29.8Very low108 Ų108136.8 Ų136.889%0.89378%0.78SS**  trans69.6131.1154.500000120.4
49G26.6Very low29.8Very low73 Ų73136.3 Ų136.375%0.75378%0.78SS**  trans150.8103.9171.600000112.2
50S30.6Very low29.9Very low113 Ų113139.5 Ų139.579%0.7979%0.785SS**PPolyproline II helixtrans-82.112117851.10000111.4
51N27.9Very low30.3Very low170 Ų170136.8 Ų136.891%0.90979%0.785SS**PPolyproline II helixtrans-80.4136.5174.8-78.8-12.6000111.8
52V28.9Very low30.2Very low129 Ų129131.5 Ų131.578%0.78278%0.78SS**PPolyproline II helixtrans-103.6149.9-179.2177.70000109
53Y27.3Very low30.4Very low171 Ų171127 Ų12767%0.67178%0.78SS**  trans81.889.8165.6-123.8-117.1000118.1D55 L56Y53-D55 WeakPolarHBondContact CD1-O 3.26Å; Y53-D55 WeakPolarHBondContact CE1-O 3.39Å; Y53-L56 HydrophobicContact CE1-CD1 3.75Å; Y53-L56 HydrophobicContact CE1-CG 3.87Å
54S36.5Very low30.8Very low104 Ų104124.6 Ų124.673%0.72778%0.782SS**  trans-78.5170.3133.9-58.20000109.7
55D38Very low31.6Very low140 Ų140123.4 Ų123.475%0.74979%0.787SS**  trans80.5128178.7-55.1-40.1000116.8Y53Y53-D55 WeakPolarHBondContact CD1-O 3.26Å; Y53-D55 WeakPolarHBondContact CE1-O 3.39Å
56L29.2Very low32.5Very low145 Ų145120.1 Ų120.176%0.75978%0.783SS**  trans172.9162.3136.2-90.1179000109.4Y53Y53-L56 HydrophobicContact CE1-CD1 3.75Å; Y53-L56 HydrophobicContact CE1-CG 3.87Å
57P36Very low33.2Very low112 Ų112123 Ų12373%0.72779%0.79SS**  trans-109.8-179-134.541.4-37.9000116
58A34Very low34.1Very low84 Ų84122.6 Ų122.669%0.69479%0.788SS**PPolyproline II helixtrans-58.6146.8176.900000113.6
59P31.6Very low34.9Very low133 Ų133121.8 Ų121.886%0.86477%0.774SS**PPolyproline II helixtrans-74.6132.8-173.729.7-34.8000112.7
60V29.9Very low36.3Very low136 Ų136122.9 Ų122.982%0.82477%0.766SS**PPolyproline II helixtrans-98.2141.5171.1174.70000109.2
61A38.6Very low37.4Very low104 Ų104123 Ų12386%0.8676%0.757SS**PPolyproline II helixtrans-65.6135.4176.800000111.9
62A28.4Very low38.8Very low96 Ų96122.2 Ų122.279%0.79375%0.748SS**  trans-122.6122.9173.100000109.8
63A35.6Very low40.3Very low102 Ų102121.3 Ų121.384%0.84374%0.738SS**  trans-78.9152.1173.100000111
64L36Very low41.8Very low165 Ų165119.2 Ų119.286%0.86473%0.734SS**  trans-119.8147.9171.3-71.7174.3000110.2
65P44.3Very low43.2Very low112 Ų112117.5 Ų117.573%0.72772%0.722SS**  trans-78.6161.1-174.532.8-36.4000113.2
66P43.1Very low44.7Very low110 Ų110115.5 Ų115.571%0.71471%0.71SS**  trans-96.3117-175.235.1-29.5000112.7
67D39.1Very low46.5Very low164 Ų164113.9 Ų113.988%0.87770%0.702SS**  trans-153120.2159.9-93.9-46.7000110.2
68S46.7Very low47.9Very low104 Ų104114 Ų11473%0.72769%0.693SS**SBendtrans25.9134.4158.9-159.70000121.2
69P44.2Very low49.2Very low91 Ų91115.6 Ų115.659%0.59169%0.69SS**SBendcis-12620.218.938.2-20.8000114.1L71P69-L71 VanDerWaalsContact C-N 3.33Å; P69-L71 PolarHBondContact O-N 2.99Å
70T56.2Low50.2Low96 Ų96115.7 Ų115.759%0.58968%0.682SS**Hα-helixtrans-67.9-27.5-174.540.50000114.4E72 L73 E74T70-E72 VanDerWaalsContact C-N 3.35Å; T70-E72 PolarHBondContact O-N 3.27Å; T70-L73 PolarHBondContact O-N 2.8Å; T70-E74 PolarHBondContact O-N 2.91Å
71L52.9Low51.3Low115 Ų115114.7 Ų114.760%0.60267%0.67SS**Hα-helixtrans-67.8-28.2-176.9-68.2174.8000114P69 S75P69-L71 VanDerWaalsContact C-N 3.33Å; P69-L71 PolarHBondContact O-N 2.99Å; L71-S75 WeakPolarHBondContact O-CB 3.42Å; L71-S75 PolarHBondContact O-N 3.48Å
72E58.3Low51.8Low153 Ų153112.6 Ų112.672%0.71566%0.658SS**Hα-helixtrans-71.3-38.1174.1-65.3-164.8168.500111.1T70 S75 I76T70-E72 VanDerWaalsContact C-N 3.35Å; T70-E72 PolarHBondContact O-N 3.27Å; E72-S75 PolarHBondContact O-N 3.48Å; E72-I76 WeakPolarHBondContact O-CD1 3.14Å; E72-I76 VanDerWaalsContact O-CG1 3.22Å; E72-I76 WeakPolarHBondContact O-CG1 3.4Å; E72-I76 PolarHBondContact O-N 2.78Å
73L60.2Low52.5Low110 Ų110116.1 Ų116.158%0.57666%0.663SS**Hα-helixtrans-68.9-36.8174.9-65.6172.5000112T70 I76 L77T70-L73 PolarHBondContact O-N 2.8Å; L73-I76 PolarHBondContact O-N 2.93Å; L73-L77 VanDerWaalsContact O-CD1 3.3Å; L73-L77 WeakPolarHBondContact O-CD1 3.23Å; L73-L77 PolarHBondContact O-N 2.94Å
74E59.9Low53.1Low128 Ų128115.3 Ų115.360%0.59866%0.656SS**Hα-helixtrans-68.8-39.2175.6-166.9162.9-152.800111.7T70 I76 L77 Q78T70-E74 PolarHBondContact O-N 2.91Å; E74-I76 PolarHBondContact O-N 2.76Å; E74-L77 PolarHBondContact O-N 3.39Å; E74-Q78 WeakPolarHBondContact O-CB 3.31Å; E74-Q78 PolarHBondContact O-N 2.95Å
75S65.7Low53.4Low68 Ų68117 Ų11748%0.47666%0.659SS.*Hα-helixtrans-61.7-41.8171.3-164.90000112.1L71 E72 Q78 D79L71-S75 WeakPolarHBondContact O-CB 3.42Å; L71-S75 PolarHBondContact O-N 3.48Å; E72-S75 PolarHBondContact O-N 3.48Å; S75-Q78 PolarHBondContact O-N 2.83Å; S75-D79 PolarHBondContact O-N 3.01Å
76I68.4Low52.9Low97 Ų97115.1 Ų115.150%0.49766%0.66SS.*Hα-helixtrans-65.8-39.7177.1-68.7162.1000111.4E72 L73 E74 L80E72-I76 WeakPolarHBondContact O-CD1 3.14Å; E72-I76 VanDerWaalsContact O-CG1 3.22Å; E72-I76 WeakPolarHBondContact O-CG1 3.4Å; E72-I76 PolarHBondContact O-N 2.78Å; L73-I76 PolarHBondContact O-N 2.93Å; E74-I76 PolarHBondContact O-N 2.76Å; I76-L80 HydrophobicContact CG2-CD1 4.3Å; I76-L80 WeakPolarHBondContact O-CG 3.26Å; I76-L80 PolarHBondContact O-N 3.15Å
77L66.4Low52.8Low112 Ų112117.3 Ų117.359%0.58667%0.666SS**Hα-helixtrans-66.6-36.4173.9-99.595.9000112.5L73 E74 L80 M81L73-L77 VanDerWaalsContact O-CD1 3.3Å; L73-L77 WeakPolarHBondContact O-CD1 3.23Å; L73-L77 PolarHBondContact O-N 2.94Å; E74-L77 PolarHBondContact O-N 3.39Å; L77-L80 PolarHBondContact O-N 3.43Å; L77-M81 PolarHBondContact O-N 2.74Å
78Q66.8Low52.6Low115 Ų115118.9 Ų118.954%0.53767%0.668SS.*Hα-helixtrans-72.4-37.8-178.3-167.857.556.800112.3E74 S75 L80 M81 G82E74-Q78 WeakPolarHBondContact O-CB 3.31Å; E74-Q78 PolarHBondContact O-N 2.95Å; S75-Q78 PolarHBondContact O-N 2.83Å; Q78-L80 VanDerWaalsContact C-N 3.31Å; Q78-L80 PolarHBondContact O-N 3.09Å; Q78-M81 PolarHBondContact O-N 3.45Å; Q78-M81 VanDerWaalsContact O-N 3.16Å; Q78-G82 PolarHBondContact O-N 3.49Å
79D61.8Low52Low116 Ų116121.7 Ų121.762%0.6267%0.674SS**Hα-helixtrans-64.5-35172.5-76.9-18.7000111.9S75 M81 G82S75-D79 PolarHBondContact O-N 3.01Å; D79-M81 PolarHBondContact O-N 3.43Å; D79-G82 PolarHBondContact O-N 3.27Å
80L51.8Low51.7Low135 Ų135122.9 Ų122.971%0.70768%0.681SS**Hα-helixtrans-68.6-18.4174.3-76.9167.6000113.9I76 L77 Q78I76-L80 HydrophobicContact CG2-CD1 4.3Å; I76-L80 WeakPolarHBondContact O-CG 3.26Å; I76-L80 PolarHBondContact O-N 3.15Å; L77-L80 PolarHBondContact O-N 3.43Å; Q78-L80 VanDerWaalsContact C-N 3.31Å; Q78-L80 PolarHBondContact O-N 3.09Å
81M53Low50.5Low116 Ų116124 Ų12457%0.57169%0.69SS**Hα-helixtrans-93.3-13.6172.3-67.5-172.8-69.200113.3L77 Q78 D79L77-M81 PolarHBondContact O-N 2.74Å; Q78-M81 PolarHBondContact O-N 3.45Å; Q78-M81 VanDerWaalsContact O-N 3.16Å; D79-M81 PolarHBondContact O-N 3.43Å
82G48.4Very low49.4Very low59 Ų59124.2 Ų124.261%0.60870%0.701SS**THydrogen-bonded Turntrans-82.4-12.3-174.300000116.4Q78 D79Q78-G82 PolarHBondContact O-N 3.49Å; D79-G82 PolarHBondContact O-N 3.27Å
83L44.6Very low48.3Very low171 Ų171123 Ų12390%0.89571%0.705SS**THydrogen-bonded Turntrans-9810.8-179.3-65179.1000113.9
84A46.7Very low47.2Very low84 Ų84122.6 Ų122.669%0.69471%0.709SS**  trans-104.927.5-170.900000115
85E41.9Very low45.9Very low201 Ų201122.3 Ų122.394%0.93972%0.718SS**  trans-141.176.8169.1-120.8173.4-163.500112.6
86G34.5Very low44.4Very low72 Ų72125 Ų12574%0.74273%0.734SS**SBendtrans-151.6105.5173.300000110.4H88G86-H88 PolarHBondContact O-N 3.48Å
87N41.8Very low42.9Very low157 Ų157127.8 Ų127.884%0.8475%0.749SS**  trans-32.1122-177-69.6-46.8000115.4
88H34.9Very low41.3Very low196 Ų196129 Ų12991%0.90776%0.761SS**  trans-167148.1134.2-91.5-57.6000111.5G86G86-H88 PolarHBondContact O-N 3.48Å
89L34.5Very low39.7Very low163 Ų163129.9 Ų129.985%0.85377%0.765SS**PPolyproline II helixtrans-71.9146.8-176.1-70.2147000112.7
90P36.3Very low38.4Very low116 Ų116133.8 Ų133.875%0.75378%0.777SS**PPolyproline II helixtrans-85.8135.2177.333.2-33.1000112.8
91P30.8Very low37.3Very low120 Ų120135 Ų13578%0.77978%0.778SS**PPolyproline II helixtrans-83.7134.4158.832.8-30.1000110.6
92S31.6Very low36.2Very low119 Ų119139.3 Ų139.383%0.83280%0.795SS**  trans-93.1114.3178.539.70000112.1
93T34.3Very low35.2Very low129 Ų129143.1 Ų143.179%0.79181%0.806SS**  trans-144.7132.6167.243.40000112.3
94P36.2Very low34.6Very low101 Ų101144.5 Ų144.566%0.65681%0.805SS**PPolyproline II helixtrans-79.4168.8175.134.2-35.6000112.6
95P33.4Very low33.7Very low121 Ų121150 Ų15079%0.78681%0.813SS**PPolyproline II helixtrans-69.5147.5-175.828.6-36.5000113.2L97P95-L97 PolarHBondContact O-N 3.48Å
96P34.8Very low32.9Very low126 Ų126149.7 Ų149.782%0.81881%0.809SS**PPolyproline II helixtrans-81.3119.4-177.931.2-33.1000112.5
97L35.7Very low32.6Very low155 Ų155153.9 Ų153.981%0.81281%0.814SS**PPolyproline II helixtrans-64.1151.3149.6-77.7162.3000109.4P95 Q99P95-L97 PolarHBondContact O-N 3.48Å; L97-Q99 PolarHBondContact O-N 3.3Å
98T33.4Very low31.9Very low136 Ų136156.1 Ų156.183%0.83482%0.819SS**  trans-68.584.8-161.8-40.30000114.5
99Q32.8Very low31.6Very low134 Ų134155.2 Ų155.263%0.62682%0.821SS**  trans-96.5107.7174.8-168177.115.700110.8L97 Q101L97-Q99 PolarHBondContact O-N 3.3Å; Q99-Q101 PolarHBondContact O-N 3.24Å
100K33.9Very low31.2Very low198 Ų198151 Ų15186%0.86182%0.818SS**  trans-83.6113.8175.4-76.6-178.4176175.80111.1
101Q30.4Very low30.8Very low160 Ų160157 Ų15775%0.74883%0.825SS**  trans-107.1148165.9-71.8-174.3-15.800110.9Q99Q99-Q101 PolarHBondContact O-N 3.24Å
102F29.6Very low30.6Very low208 Ų208157 Ų15791%0.91283%0.828SS**  trans-107.9128.6179.8-116.2-90000110.2
103T27.4Very low30.2Very low139 Ų139154.6 Ų154.685%0.85382%0.823SS**  trans-125.6146.7169.654.10000112.2
104K30.7Very low29.9Very low199 Ų199157.1 Ų157.187%0.86583%0.825SS**  trans-95.1131.8-165.6174.9-175.9-179.6-179.90110.7
105K27.6Very low29.4Very low200 Ų200159.5 Ų159.587%0.8783%0.825SS**  trans-120.4151.4161.7-90.4-172.3173.1-177.30111.2
106K26Very low29.1Very low195 Ų195160 Ų16085%0.84882%0.821SS**  trans-97.7149169.2-73178.4167.3-171.50108
107D27.7Very low28.7Very low160 Ų160158.3 Ų158.386%0.85681%0.812SS**  trans-115.2152.3162.4-60-48.7000109.5
108E26.9Very low28.2Very low203 Ų203157.7 Ų157.795%0.94981%0.81SS**  trans-129.9164.9163.2-92.4-149.313300109.9
109D28.8Very low28.1Very low177 Ų177156.1 Ų156.195%0.94781%0.805SS**  trans-65156.4-159.2-101.1-49.9000118.5
110G27.4Very low28.1Very low76 Ų76155 Ų15578%0.78481%0.811SS**  trans-172.3128.5168.400000112.7
111R27.3Very low28.1Very low241 Ų241150.3 Ų150.391%0.90980%0.804SS**  trans-113.8159.6-158.2174.1176170.8173-2.5114.8
112S26.1Very low28.1Very low120 Ų120148.5 Ų148.584%0.83981%0.809SS**  trans87.1144.5164.576.60000117.3
113G24.6Very low28Very low69 Ų69142.6 Ų142.671%0.71181%0.806SS**  cis172.9165.1-900000112.7
114Q27.8Very low28Very low182 Ų182139.6 Ų139.685%0.8580%0.803SS**  trans66.2151.6175.2-74.1-179.6-28.500115.4
115K25.8Very low28.8Very low151 Ų151136.2 Ų136.266%0.65780%0.801SS**  cis-163.6160.410.5-129.5174.3166.8-157.40110.4
116D26Very low28.8Very low130 Ų130130.8 Ų130.870%0.69579%0.794SS**  trans59.1151.1150.7-51.8-25.9000119.4
117S26.6Very low28.9Very low91 Ų91127.2 Ų127.264%0.63679%0.793SS**  cis-164160.4-20.5570000111.8
118D25.3Very low29Very low143 Ų143125.8 Ų125.877%0.76580%0.796SS**  trans73.7141.9148.4-56.2-33.2000125.6
119S31.7Very low29.4Very low103 Ų103122.7 Ų122.772%0.7279%0.786SS**  trans93.197.7147.3-60.90000121.5
120S32.3Very low29.9Very low109 Ų109120.2 Ų120.276%0.76278%0.78SS**  49142.7100-57.10000120.3
121S33.8Very low30.1Very low100 Ų100125.3 Ų125.370%0.69978%0.781SS**  cis-171.6159.8-2.5-970000111.9
122S30.3Very low31Very low122 Ų122119.3 Ų119.385%0.85377%0.773SS**  trans55.7130.2142.563.90000123.2
123G28.1Very low31.2Very low84 Ų84119 Ų11987%0.86677%0.77SS**  trans164.797.2153.200000115.1
124G27.6Very low31.9Very low76 Ų76122.8 Ų122.878%0.78477%0.773SS**  trans-103.4-153.116400000111
125P46.3Very low32.3Very low128 Ų128121.1 Ų121.183%0.83177%0.765SS**  cis-139-158.3-12.342.4-23.4000113
126A27.3Very low32.8Very low86 Ų86119.7 Ų119.771%0.71177%0.769SS**  trans72114.8160.700000117.9
127S29.8Very low34.1Very low120 Ų120120.9 Ų120.984%0.83977%0.77SS**  90.1109.460.2-74.60000114.7
128S30Very low35.2Very low131 Ų131124.8 Ų124.892%0.91678%0.776SS**  trans-169.1148132.840.70000111.8
129N35Very low36.5Very low137 Ų137121.7 Ų121.773%0.73376%0.763SS**  trans-111.1153.2176.6-142.2-24.9000106.6
130P39.4Very low37.7Very low126 Ų126121 Ų12182%0.81875%0.751SS**  -149.5157.194.436.1-17.9000117.1
131K31.9Very low39Very low183 Ų183119.2 Ų119.280%0.79674%0.738SS**  trans-71.1176.2162.9-80179.5173.7177.40111.8
132P45.3Very low40.6Very low115 Ų115119.2 Ų119.275%0.74773%0.729SS**  cis-135.71735.636.2-16.7000116.9
133S30.4Very low42.1Very low112 Ų112118.4 Ų118.478%0.78372%0.715SS**  trans143.795.5132.8610000116.6
134I38.3Very low44Very low150 Ų150120.3 Ų120.377%0.76971%0.706SS**  15.4127.4122.6-67.9170.8000115.2
135Q37.7Very low45.8Very low147 Ų147122.4 Ų122.469%0.68770%0.698SS**  cis-163.3138.112.6-119.3166.324.300110.3
136T35.8Very low46.8Very low121 Ų121120.8 Ų120.874%0.74268%0.682SS**  trans-153.462.8146.3-42.70000110.4K138T136-K138 VanDerWaalsContact C-N 3.29Å; T136-K138 PolarHBondContact O-N 3.15Å
137Q52.9Low48.3Very low154 Ų154118.3 Ų118.372%0.7267%0.665SS**THydrogen-bonded Turntrans-73.771.1-171.7-67.7-173.3-40.500113.6
138K50.1Low50.2Low173 Ų173114.1 Ų114.175%0.75264%0.64SS**THydrogen-bonded Turntrans-149.8-4.8169.8-117.2176.1-174.5-179.30116.2T136 I142T136-K138 VanDerWaalsContact C-N 3.29Å; T136-K138 PolarHBondContact O-N 3.15Å; K138-I142 VanDerWaalsContact O-CD1 3.26Å; K138-I142 WeakPolarHBondContact O-CD1 3.47Å; K138-I142 WeakPolarHBondContact O-CG1 3.44Å
139T52Low51.6Low79 Ų79113.2 Ų113.249%0.48563%0.625SS.*SBendtrans-92-47.1169.244.90000111S141 I142 D143T139-S141 VanDerWaalsContact C-N 3.29Å; T139-S141 PolarHBondContact O-N 3.06Å; T139-I142 WeakPolarHBondContact O-CA 3.36Å; T139-I142 WeakPolarHBondContact O-CB 3.46Å; T139-I142 PolarHBondContact O-N 3.32Å; T139-D143 PolarHBondContact O-N 3Å
140D56.9Low52.8Low88 Ų88110.1 Ų110.147%0.47161%0.614SS.*Hα-helixtrans-56.3-41.8-174.3-43.2-23.5000111.9I142 D143 D144D140-I142 PolarHBondContact O-N 3.3Å; D140-D143 PolarHBondContact O-N 3.42Å; D140-D144 VanDerWaalsContact O-CB 3.31Å; D140-D144 WeakPolarHBondContact O-CB 3.25Å; D140-D144 VanDerWaalsContact O-CG 3.3Å; D140-D144 PolarHBondContact O-N 2.88Å
141S60.1Low54Low71 Ų71107 Ų10750%0.49760%0.595SS.*Hα-helixtrans-69.1-18.5176.8-49.40000114.2T139 L145T139-S141 VanDerWaalsContact C-N 3.29Å; T139-S141 PolarHBondContact O-N 3.06Å; S141-L145 WeakPolarHBondContact O-CB 3.45Å; S141-L145 VanDerWaalsContact O-CD1 3.23Å; S141-L145 WeakPolarHBondContact O-CD1 3.4Å; S141-L145 WeakPolarHBondContact O-CG 3.39Å; S141-L145 PolarHBondContact O-N 3.04Å
142I66.8Low55.6Low101 Ų101102 Ų10252%0.51858%0.577SS.*Hα-helixtrans-86-42.8174-55.8175.2000109K138 T139 D140 L145 L146K138-I142 VanDerWaalsContact O-CD1 3.26Å; K138-I142 WeakPolarHBondContact O-CD1 3.47Å; K138-I142 WeakPolarHBondContact O-CG1 3.44Å; T139-I142 WeakPolarHBondContact O-CA 3.36Å; T139-I142 WeakPolarHBondContact O-CB 3.46Å; T139-I142 PolarHBondContact O-N 3.32Å; D140-I142 PolarHBondContact O-N 3.3Å; I142-L145 PolarHBondContact O-N 3.49Å; I142-L146 HydrophobicContact CG2-CD1 4.04Å; I142-L146 HydrophobicContact CG2-CG 4.44Å; I142-L146 WeakPolarHBondContact O-CB 3.33Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.28Å; I142-L146 PolarHBondContact O-N 2.86Å
143D62.7Low56.3Low105 Ų105100.5 Ų100.556%0.56156%0.562SS**Hα-helixtrans-65.8-38.8175.2-75.9-54.2000112.5T139 D140 L145 L146 G147T139-D143 PolarHBondContact O-N 3Å; D140-D143 PolarHBondContact O-N 3.42Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 3.02Å; D143-L146 PolarHBondContact O-N 2.84Å; D143-G147 PolarHBondContact O-N 3.38Å
144D67.3Low57.8Low124 Ų124101.6 Ų101.666%0.66356%0.555SS**Hα-helixtrans-63.6-38.3172.2-76.6-29.3000111.8D140 G148D140-D144 VanDerWaalsContact O-CB 3.31Å; D140-D144 WeakPolarHBondContact O-CB 3.25Å; D140-D144 VanDerWaalsContact O-CG 3.3Å; D140-D144 PolarHBondContact O-N 2.88Å; D144-G148 PolarHBondContact O-N 3.46Å
145L66.9Low58.9Low119 Ų119102.1 Ų102.162%0.62355%0.552SS**Hα-helixtrans-71.2-36.8175.2-77.2172.8000112.1S141 I142 D143 L149S141-L145 WeakPolarHBondContact O-CB 3.45Å; S141-L145 VanDerWaalsContact O-CD1 3.23Å; S141-L145 WeakPolarHBondContact O-CD1 3.4Å; S141-L145 WeakPolarHBondContact O-CG 3.39Å; S141-L145 PolarHBondContact O-N 3.04Å; I142-L145 PolarHBondContact O-N 3.49Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 3.02Å; L145-L149 WeakPolarHBondContact O-CB 3.33Å; L145-L149 VanDerWaalsContact O-CG 3.25Å; L145-L149 WeakPolarHBondContact O-CG 3.07Å; L145-L149 PolarHBondContact O-N 2.94Å
146L65.3Low59.9Low95 Ų95101.3 Ų101.350%0.49755%0.551SS.*Hα-helixtrans-70.2-39.7174.9-71.8170000111.9I142 D143 L149 S150I142-L146 HydrophobicContact CG2-CD1 4.04Å; I142-L146 HydrophobicContact CG2-CG 4.44Å; I142-L146 WeakPolarHBondContact O-CB 3.33Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.28Å; I142-L146 PolarHBondContact O-N 2.86Å; D143-L146 PolarHBondContact O-N 2.84Å; L146-L149 PolarHBondContact O-N 3.22Å; L146-S150 WeakPolarHBondContact O-CB 3.14Å; L146-S150 PolarHBondContact O-N 2.95Å; L146-S150 PolarHBondContact O-OG 2.93Å
147G60.8Low60.2Low34 Ų3498.4 Ų98.435%0.35155%0.545SS..Hα-helixtrans-64.3-41.417300000112.5D143 S150 S151D143-G147 PolarHBondContact O-N 3.38Å; G147-S150 PolarHBondContact O-N 3.45Å; G147-S151 WeakPolarHBondContact O-CB 3.29Å; G147-S151 PolarHBondContact O-N 2.81Å; G147-S151 PolarHBondContact O-OG 3.12Å
148G67.9Low60Low31 Ų3194.8 Ų94.832%0.3253%0.533SS..Hα-helixtrans-60.1-50.5171.900000112.7D144 S150 S151 D152D144-G148 PolarHBondContact O-N 3.46Å; G148-S150 VanDerWaalsContact C-N 3.31Å; G148-S150 PolarHBondContact O-N 3.27Å; G148-S151 PolarHBondContact O-N 2.97Å; G148-S151 VanDerWaalsContact O-N 3.15Å; G148-D152 PolarHBondContact O-N 3.35Å
149L60.1Low59.6Low112 Ų11295.8 Ų95.859%0.58653%0.532SS*.Hα-helixtrans-62.5-37177.5-71.7170.2000112.5L145 L146 L153L145-L149 WeakPolarHBondContact O-CB 3.33Å; L145-L149 VanDerWaalsContact O-CG 3.25Å; L145-L149 WeakPolarHBondContact O-CG 3.07Å; L145-L149 PolarHBondContact O-N 2.94Å; L146-L149 PolarHBondContact O-N 3.22Å; L149-L153 WeakPolarHBondContact O-CB 3.41Å; L149-L153 WeakPolarHBondContact O-CG 3.02Å; L149-L153 PolarHBondContact O-N 3.5Å; L149-L153 VanDerWaalsContact O-N 3.09Å
150S60.8Low59.5Low72 Ų7296.1 Ų96.150%0.50354%0.535SS..Hα-helixtrans-65-42.3173.7-580000111.7L146 G147 G148 L153 E154L146-S150 WeakPolarHBondContact O-CB 3.14Å; L146-S150 PolarHBondContact O-N 2.95Å; L146-S150 PolarHBondContact O-OG 2.93Å; G147-S150 PolarHBondContact O-N 3.45Å; G148-S150 VanDerWaalsContact C-N 3.31Å; G148-S150 PolarHBondContact O-N 3.27Å; S150-L153 PolarHBondContact O-N 3.26Å; S150-E154 PolarHBondContact O-N 2.82Å
151S64.6Low59.3Low60 Ų6096.6 Ų96.642%0.4254%0.54SS..Hα-helixtrans-68.9-35.4179.9-56.90000113.2G147 G148 E154 K155G147-S151 WeakPolarHBondContact O-CB 3.29Å; G147-S151 PolarHBondContact O-N 2.81Å; G147-S151 PolarHBondContact O-OG 3.12Å; G148-S151 PolarHBondContact O-N 2.97Å; G148-S151 VanDerWaalsContact O-N 3.15Å; S151-E154 PolarHBondContact O-N 3.04Å; S151-K155 PolarHBondContact O-N 3.17Å
152D65.5Low59.3Low79 Ų7996 Ų9642%0.42254%0.54SS..Hα-helixtrans-79.6-28.2178.1-73.2-23.6000112.5G148 E154 K155 I156G148-D152 PolarHBondContact O-N 3.35Å; D152-E154 VanDerWaalsContact C-N 3.31Å; D152-E154 PolarHBondContact O-N 3.27Å; D152-K155 PolarHBondContact O-N 3.04Å; D152-K155 IonicContact OD1-NZ 2.83Å; D152-K155 PolarHBondContact OD1-NZ 3.04Å; D152-I156 WeakPolarHBondContact O-CD1 3.34Å; D152-I156 WeakPolarHBondContact O-CG1 3.34Å; D152-I156 PolarHBondContact O-N 2.98Å; D152-I156 VanDerWaalsContact O-N 3.15Å
153L60.2Low59.3Low83 Ų8396.9 Ų96.944%0.43554%0.54SS..Hα-helixtrans-61.3-38.1167-81.8165.9000112.2L149 S150 I156 V158L149-L153 WeakPolarHBondContact O-CB 3.41Å; L149-L153 WeakPolarHBondContact O-CG 3.02Å; L149-L153 PolarHBondContact O-N 3.5Å; L149-L153 VanDerWaalsContact O-N 3.09Å; S150-L153 PolarHBondContact O-N 3.26Å; L153-I156 PolarHBondContact O-N 2.96Å; L153-V158 PolarHBondContact O-N 3.47Å
154E61Low60.1Low135 Ų13593.2 Ų93.263%0.63153%0.527SS*.Hα-helixtrans-65.8-37.1173.6-69.6-167.3147.200112.8S150 S151 D152 I156 G157S150-E154 PolarHBondContact O-N 2.82Å; S151-E154 PolarHBondContact O-N 3.04Å; D152-E154 VanDerWaalsContact C-N 3.31Å; D152-E154 PolarHBondContact O-N 3.27Å; E154-I156 PolarHBondContact O-N 3.39Å; E154-G157 PolarHBondContact O-N 3.02Å
155K61.8Low61.1Low162 Ų16292.9 Ų92.970%0.70452%0.522SS*.Hα-helixtrans-69.6-27.6177.2-73.8178.8-163.9147.10114.2S151 D152 G157S151-K155 PolarHBondContact O-N 3.17Å; D152-K155 PolarHBondContact O-N 3.04Å; D152-K155 IonicContact OD1-NZ 2.83Å; D152-K155 PolarHBondContact OD1-NZ 3.04Å; K155-G157 PolarHBondContact O-N 3.35Å
156I57.7Low62.1Low129 Ų12987.2 Ų87.266%0.66249%0.492SS*.THydrogen-bonded Turntrans-77.41.6176.4-61.9162.3000110.9D152 L153 E154 V158D152-I156 WeakPolarHBondContact O-CD1 3.34Å; D152-I156 WeakPolarHBondContact O-CG1 3.34Å; D152-I156 PolarHBondContact O-N 2.98Å; D152-I156 VanDerWaalsContact O-N 3.15Å; L153-I156 PolarHBondContact O-N 2.96Å; E154-I156 PolarHBondContact O-N 3.39Å; I156-V158 HydrophobicContact CG2-CG2 4.24Å; I156-V158 PolarHBondContact O-N 3.42Å
157G43.5Very low63.1Low61 Ų6184 Ų8463%0.62948%0.479SS*.THydrogen-bonded Turntrans79.6-0.1179.900000113.6E154 K155 R159E154-G157 PolarHBondContact O-N 3.02Å; K155-G157 PolarHBondContact O-N 3.35Å; G157-R159 PolarHBondContact O-N 3.15Å
158V47.9Very low64.4Low77 Ų7785.2 Ų85.247%0.46749%0.485SS..  trans-82.968.1174.3-169.10000108.8L153 I156 T160L153-V158 PolarHBondContact O-N 3.47Å; I156-V158 HydrophobicContact CG2-CG2 4.24Å; I156-V158 PolarHBondContact O-N 3.42Å; V158-T160 VanDerWaalsContact C-N 3.3Å; V158-T160 HydrophobicContact CG1-CG2 4.13Å; V158-T160 PolarHBondContact O-N 2.99Å
159R42.6Very low65.4Low194 Ų19485.6 Ų85.673%0.73248%0.483SS*.  trans-62.992.1167.1-80.2-177.7157.4-175.2-6.8109.2G157 T161G157-R159 PolarHBondContact O-N 3.15Å; R159-T161 HydrophobicContact CB-CG2 4.4Å; R159-T161 PolarHBondContact O-N 3.37Å
160T49.1Very low66.7Low87 Ų8786.3 Ų86.353%0.53449%0.487SS..  trans-73.566.216556.80000109.2V158 A162 V174V158-T160 VanDerWaalsContact C-N 3.3Å; V158-T160 HydrophobicContact CG1-CG2 4.13Å; V158-T160 PolarHBondContact O-N 2.99Å; T160-A162 PolarHBondContact O-N 3.05Å; T160-V174 HydrophobicContact CG2-CG1 4.26Å
161T53.8Low67.9Low97 Ų9789.9 Ų89.960%0.59549%0.494SS*.  trans-60.4106.5168.944.50000107.5R159 K163R159-T161 HydrophobicContact CB-CG2 4.4Å; R159-T161 PolarHBondContact O-N 3.37Å; T161-K163 WeakPolarHBondContact O-CG 3.33Å; T161-K163 PolarHBondContact O-N 3.25Å
162A58.3Low68.8Low60 Ų6090 Ų9050%0.49649%0.494SS..  trans-60.8112.3177.500000108T160 G164 C172T160-A162 PolarHBondContact O-N 3.05Å; A162-G164 PolarHBondContact O-N 2.84Å; A162-C172 HydrophobicContact CB-CB 4.28Å
163K67.1Low69.7Low118 Ų11886.3 Ų86.351%0.51347%0.474SS..  trans-81.831-171.6-58.8-178.7-178.4164.70112.8T161 M177T161-K163 WeakPolarHBondContact O-CG 3.33Å; T161-K163 PolarHBondContact O-N 3.25Å; K163-M177 HydrophobicContact CB-SD 3.34Å; K163-M177 WeakPolarHBondContact CB-SD 3.47Å; K163-M177 HydrophobicContact CD-CG 4.29Å; K163-M177 HydrophobicContact CD-SD 3.47Å; K163-M177 WeakPolarHBondContact CD-SD 3.34Å; K163-M177 HydrophobicContact CG-SD 4.02Å
164G80.8Confident70.7Confident28 Ų2887.2 Ų87.229%0.28948%0.483SS..  trans104.5173-174.400000114.5A162 I173A162-G164 PolarHBondContact O-N 2.84Å; G164-I173 PolarHBondContact O-N 3.3Å
165H87.8Confident71.6Confident118 Ų11883.2 Ų83.255%0.54648%0.477SS..BIsolated β-bridgetrans-96139.1177.3-61.588.5000110A167 N170 C172 V184H165-A167 PolarHBondContact O-N 2.87Å; H165-N170 PolarHBondContact CD2-O 3.02Å; H165-C172 VanDerWaalsContact CD2-SG 3.59Å; H165-C172 PolarHBondContact NE2-SG 3.12Å; H165-C172 VanDerWaalsContact NE2-SG 3.43Å; H165-V184 WeakPolarHBondContact O-CG2 3.49Å
166C88.4Confident72.5Confident0 Ų082.8 Ų82.80%048%0.476CS..  trans-73.1123-178.4174.10000112.8A168 C169 N170 K171 I173 V184 H186C166-A168 PolarHBondContact O-N 2.92Å; C166-C169 PolarHBondContact O-N 3.22Å; C166-N170 WeakPolarHBondContact O-CA 3.26Å; C166-N170 PolarHBondContact O-N 3.21Å; C166-K171 PolarHBondContact N-O 3.33Å; C166-I173 HydrophobicContact CB-CD1 3.94Å; C166-I173 HydrophobicContact CB-CG1 3.78Å; C166-V184 VanDerWaalsContact CA-O 3.28Å; C166-V184 WeakPolarHBondContact CA-O 3.45Å; C166-H186 WeakPolarHBondContact CB-ND1 3.32Å; C166-H186 PolarHBondContact SG-N 3.44Å; C166-H186 PolarHBondContact SG-ND1 3.03Å
167A86.1Confident73.8Confident27 Ų2779 Ų7922%0.22346%0.456CS..THydrogen-bonded Turntrans-44.1-41.1177.800000115.1H165 E183 V184 W185H165-A167 PolarHBondContact O-N 2.87Å; A167-E183 HydrophobicContact CB-CB 4.02Å; A167-E183 WeakPolarHBondContact CB-OE2 3.24Å; A167-V184 PolarHBondContact N-O 3.09Å; A167-W185 HydrophobicContact CB-CD2 3.77Å; A167-W185 HydrophobicContact CB-CE3 3.88Å; A167-W185 HydrophobicContact CB-CH2 3.57Å; A167-W185 HydrophobicContact CB-CZ2 3.45Å; A167-W185 VanDerWaalsContact CB-CZ2 3.45Å; A167-W185 HydrophobicContact CB-CZ3 3.8Å
168A87.6Confident75.8Confident59 Ų5977.4 Ų77.449%0.48843%0.432SS..THydrogen-bonded Turntrans-78.9-27.5-175.700000114.9C166 W185 H189C166-A168 PolarHBondContact O-N 2.92Å; A168-W185 HydrophobicContact CB-CE3 4.05Å; A168-W185 HydrophobicContact CB-CZ3 3.9Å; A168-H189 HydrophobicContact CB-CB 3.71Å
169C89.8Confident77.7Confident39 Ų3978.4 Ų78.426%0.26444%0.439SS..THydrogen-bonded Turntrans-135-1.7-169.3720000114.9C166 K171 H186 H189C166-C169 PolarHBondContact O-N 3.22Å; C169-K171 PolarHBondContact O-N 2.95Å; C169-H186 PolarHBondContact SG-ND1 3.47Å; C169-H189 VanDerWaalsContact SG-CE1 3.53Å
170N86.3Confident79.7Confident127 Ų12769.6 Ų69.668%0.67941%0.408SS*.  trans53.115.9-177.1-66.1-31.8000116.1H165 C166H165-N170 PolarHBondContact CD2-O 3.02Å; C166-N170 WeakPolarHBondContact O-CA 3.26Å; C166-N170 PolarHBondContact O-N 3.21Å
171K85.6Confident81.4Confident148 Ų14867.2 Ų67.264%0.64339%0.392SS*.PPolyproline II helixtrans-89.7143.8174.8-62.3177.8-175.71800111C166 C169 I173C166-K171 PolarHBondContact N-O 3.33Å; C169-K171 PolarHBondContact O-N 2.95Å; K171-I173 PolarHBondContact O-N 3.3Å
172C84.8Confident82.8Confident62 Ų6266.4 Ų66.442%0.41940%0.403SS..BIsolated β-bridgetrans-56.2131.3173.2-60.10000111.3A162 H165A162-C172 HydrophobicContact CB-CB 4.28Å; H165-C172 VanDerWaalsContact CD2-SG 3.59Å; H165-C172 PolarHBondContact NE2-SG 3.12Å; H165-C172 VanDerWaalsContact NE2-SG 3.43Å
173I83.8Confident84.2Confident2 Ų268.7 Ų68.71%0.0140%0.403CS..PPolyproline II helixtrans-87.7119.6176.8-52.8165.1000109.5G164 C166 K171 M177 V184 W185G164-I173 PolarHBondContact O-N 3.3Å; C166-I173 HydrophobicContact CB-CD1 3.94Å; C166-I173 HydrophobicContact CB-CG1 3.78Å; K171-I173 PolarHBondContact O-N 3.3Å; I173-M177 HydrophobicContact CD1-CB 4.3Å; I173-M177 HydrophobicContact CG2-CB 3.81Å; I173-V184 HydrophobicContact CD1-CB 3.84Å; I173-V184 HydrophobicContact CD1-CG2 3.68Å; I173-W185 VanDerWaalsContact CD1-C 3.49Å
174V81.4Confident85.3Confident102 Ų10264.4 Ų64.462%0.61839%0.386SS*.  trans-108.1124.2174.9-174.20000109T160T160-V174 HydrophobicContact CG2-CG1 4.26Å
175G80.6Confident85.7Confident50 Ų5064.8 Ų64.852%0.51538%0.379SS..SBendtrans95-118.6177.800000114.6
176K79.9Confident85.7Confident153 Ų15361.1 Ų61.167%0.66536%0.362SS*.  trans-85.3128.2-177-170.4-176.3179-169.40110P187K176-P187 HydrophobicContact CG-CG 4.38Å; K176-P187 WeakPolarHBondContact O-CD 3.39Å
177M84.8Confident85.7Confident49 Ų4962.3 Ų62.324%0.24137%0.37CS..  trans-129.6163.2-177.458.7170.5-72.500110.5K163 I173 T179 V184K163-M177 HydrophobicContact CB-SD 3.34Å; K163-M177 WeakPolarHBondContact CB-SD 3.47Å; K163-M177 HydrophobicContact CD-CG 4.29Å; K163-M177 HydrophobicContact CD-SD 3.47Å; K163-M177 WeakPolarHBondContact CD-SD 3.34Å; K163-M177 HydrophobicContact CG-SD 4.02Å; I173-M177 HydrophobicContact CD1-CB 4.3Å; I173-M177 HydrophobicContact CG2-CB 3.81Å; M177-T179 WeakPolarHBondContact CE-OG1 3.5Å; M177-V184 HydrophobicContact CE-CB 3.92Å; M177-V184 HydrophobicContact CE-CG1 3.41Å; M177-V184 VanDerWaalsContact CE-CG1 3.41Å
178I86.3Confident85.8Confident28 Ų2867.9 Ų67.914%0.14439%0.392CS..EExtended strand (participates in β ladder)trans-119131.4168.4-60.2172.5000107.9A180 V184 W185 P187 F190I178-A180 HydrophobicContact CG2-CB 3.97Å; I178-V184 CarbonylContact O-C 3.57Å; I178-V184 WeakPolarHBondContact O-CA 3.35Å; I178-W185 HydrophobicContact CB-CB 4.44Å; I178-W185 PolarHBondContact N-O 3.47Å; I178-W185 PolarHBondContact O-N 2.84Å; I178-P187 HydrophobicContact CD1-CB 4.25Å; I178-P187 HydrophobicContact CG1-CG 4.49Å; I178-F190 HydrophobicContact CD1-CB 3.8Å; I178-F190 HydrophobicContact CD1-CD1 4.06Å; I178-F190 HydrophobicContact CD1-CG 4.2Å; I178-F190 HydrophobicContact CG2-CD1 4.24Å; I178-F190 HydrophobicContact CG2-CG 4.37Å
179T87.8Confident85.8Confident99 Ų9968.7 Ų68.761%0.60739%0.385SS*.EExtended strand (participates in β ladder)trans-100.8114.5165.8-50.30000108.3M177 E183M177-T179 WeakPolarHBondContact CE-OG1 3.5Å; T179-E183 WeakPolarHBondContact CA-O 3.28Å
180A84.6Confident85.9Confident9 Ų966.9 Ų66.97%0.07437%0.373CS..EExtended strand (participates in β ladder)trans-153.2149.5-178.100000109.9I178 G182 E183 W185 F190 F204I178-A180 HydrophobicContact CG2-CB 3.97Å; A180-G182 PolarHBondContact O-N 3.5Å; A180-E183 PolarHBondContact N-O 3.09Å; A180-E183 CarbonylContact O-C 3.53Å; A180-E183 PolarHBondContact O-N 3.45Å; A180-W185 PolarHBondContact O-NE1 2.92Å; A180-F190 HydrophobicContact CB-CD2 4.28Å; A180-F190 HydrophobicContact CB-CE1 4.23Å; A180-F190 HydrophobicContact CB-CE2 3.53Å; A180-F190 HydrophobicContact CB-CZ 3.51Å; A180-F204 HydrophobicContact CB-CE1 4.28Å; A180-F204 HydrophobicContact CB-CZ 3.88Å
181L84.6Confident86.2Confident37 Ų3762.4 Ų62.419%0.19435%0.35CS..THydrogen-bonded Turntrans58.627.6-179.9-44.8173.7000113.3E183 W185 F190 F204 E206 P211L181-E183 PolarHBondContact O-N 3.35Å; L181-W185 HydrophobicContact CD1-CZ2 4.1Å; L181-F190 HydrophobicContact CD1-CE2 4.1Å; L181-F190 HydrophobicContact CG-CE2 4.35Å; L181-F204 HydrophobicContact CD2-CE2 3.93Å; L181-E206 HydrophobicContact CD2-CB 3.77Å; L181-E206 HydrophobicContact CD2-CG 3.53Å; L181-E206 WeakPolarHBondContact CD2-OE2 3.4Å; L181-P211 HydrophobicContact CD1-CB 4.13Å; L181-P211 HydrophobicContact CD1-CG 4.08Å
182G82.9Confident86.6Confident80 Ų8055.4 Ų55.483%0.82532%0.319SS*.THydrogen-bonded Turntrans79.2-11.7-174.200000115.3A180A180-G182 PolarHBondContact O-N 3.5Å
183E87.7Confident86.9Confident107 Ų10755.8 Ų55.850%0.532%0.316SS..EExtended strand (participates in β ladder)trans-114.1173.4-176.5-65.2-163.6-147.700113.1A167 T179 A180 L181A167-E183 HydrophobicContact CB-CB 4.02Å; A167-E183 WeakPolarHBondContact CB-OE2 3.24Å; T179-E183 WeakPolarHBondContact CA-O 3.28Å; A180-E183 PolarHBondContact N-O 3.09Å; A180-E183 CarbonylContact O-C 3.53Å; A180-E183 PolarHBondContact O-N 3.45Å; L181-E183 PolarHBondContact O-N 3.35Å
184V88.8Confident87.3Confident28 Ų2859.3 Ų59.317%0.1734%0.337CS..EExtended strand (participates in β ladder)trans-107.2141176.8-57.90000111.1H165 C166 A167 I173 M177 I178H165-V184 WeakPolarHBondContact O-CG2 3.49Å; C166-V184 VanDerWaalsContact CA-O 3.28Å; C166-V184 WeakPolarHBondContact CA-O 3.45Å; A167-V184 PolarHBondContact N-O 3.09Å; I173-V184 HydrophobicContact CD1-CB 3.84Å; I173-V184 HydrophobicContact CD1-CG2 3.68Å; M177-V184 HydrophobicContact CE-CB 3.92Å; M177-V184 HydrophobicContact CE-CG1 3.41Å; M177-V184 VanDerWaalsContact CE-CG1 3.41Å; I178-V184 CarbonylContact O-C 3.57Å; I178-V184 WeakPolarHBondContact O-CA 3.35Å
185W90.2Very high87.9Confident36 Ų3657.4 Ų57.414%0.13633%0.328CS..EExtended strand (participates in β ladder)trans-135.1142.9-171.8-54.576.7000111.2A167 A168 I173 I178 A180 L181 F190A167-W185 HydrophobicContact CB-CD2 3.77Å; A167-W185 HydrophobicContact CB-CE3 3.88Å; A167-W185 HydrophobicContact CB-CH2 3.57Å; A167-W185 HydrophobicContact CB-CZ2 3.45Å; A167-W185 VanDerWaalsContact CB-CZ2 3.45Å; A167-W185 HydrophobicContact CB-CZ3 3.8Å; A168-W185 HydrophobicContact CB-CE3 4.05Å; A168-W185 HydrophobicContact CB-CZ3 3.9Å; I173-W185 VanDerWaalsContact CD1-C 3.49Å; I178-W185 HydrophobicContact CB-CB 4.44Å; I178-W185 PolarHBondContact N-O 3.47Å; I178-W185 PolarHBondContact O-N 2.84Å; A180-W185 PolarHBondContact O-NE1 2.92Å; L181-W185 HydrophobicContact CD1-CZ2 4.1Å; W185-F190 HydrophobicContact CB-CB 3.96Å; W185-F190 HydrophobicContact CB-CD2 4.18Å; W185-F190 HydrophobicContact CB-CG 4.42Å; W185-F190 AromaticContact CD2-CD2 3.78Å; W185-F190 HydrophobicContact CD2-CD2 3.78Å; W185-F190 HydrophobicContact CD2-CE2 4.5Å; W185-F190 HydrophobicContact CE3-CD2 4.2Å; W185-F190 HydrophobicContact CG-CB 4.41Å; W185-F190 AromaticContact CG-CD2 3.73Å; W185-F190 HydrophobicContact CG-CD2 3.73Å; W185-F190 HydrophobicContact CG-CG 4.44Å
186H88.8Confident88.4Confident41 Ų4161 Ų6119%0.1933%0.33CS..  trans-63.9140.2160.6-71.8100.5000108.7C166 C169 E188 H189 F190C166-H186 WeakPolarHBondContact CB-ND1 3.32Å; C166-H186 PolarHBondContact SG-N 3.44Å; C166-H186 PolarHBondContact SG-ND1 3.03Å; C169-H186 PolarHBondContact SG-ND1 3.47Å; H186-E188 PolarHBondContact O-N 3.14Å; H186-H189 HydrophobicContact CB-CB 4.22Å; H186-H189 AromaticContact CG-ND1 3.87Å; H186-H189 AromaticContact ND1-ND1 3.58Å; H186-H189 PolarHBondContact O-N 3.21Å; H186-F190 PolarHBondContact O-N 3.22Å; H186-F190 VanDerWaalsContact O-N 3.12Å
187P86.9Confident88.9Confident26 Ų2659.8 Ų59.817%0.16932%0.324CS..THydrogen-bonded Turntrans-52.7-37.9178.4-28.936.2000114.3K176 I178K176-P187 HydrophobicContact CG-CG 4.38Å; K176-P187 WeakPolarHBondContact O-CD 3.39Å; I178-P187 HydrophobicContact CD1-CB 4.25Å; I178-P187 HydrophobicContact CG1-CG 4.49Å
188E88.1Confident89.2Confident144 Ų14462.1 Ų62.167%0.67333%0.334SS*.THydrogen-bonded Turntrans-72.9-22.8178.8-63.1167.7-164.700113.7H186 V191H186-E188 PolarHBondContact O-N 3.14Å; E188-V191 VanDerWaalsContact O-CG1 3.29Å; E188-V191 WeakPolarHBondContact O-CG1 3.16Å
189H88.8Confident89.4Confident75 Ų7561 Ų6135%0.34733%0.329SS..THydrogen-bonded Turntrans-96.7-13.5179.1-63.1150.3000113.2A168 C169 H186 V191A168-H189 HydrophobicContact CB-CB 3.71Å; C169-H189 VanDerWaalsContact SG-CE1 3.53Å; H186-H189 HydrophobicContact CB-CB 4.22Å; H186-H189 AromaticContact CG-ND1 3.87Å; H186-H189 AromaticContact ND1-ND1 3.58Å; H186-H189 PolarHBondContact O-N 3.21Å; H189-V191 PolarHBondContact O-N 3.48Å
190F91.7Very high89Confident1 Ų158 Ų580%0.00431%0.312CS..  trans-83.473.8173.5-164.9-109.3000110.2I178 A180 L181 W185 H186 L199 F204 P211I178-F190 HydrophobicContact CD1-CB 3.8Å; I178-F190 HydrophobicContact CD1-CD1 4.06Å; I178-F190 HydrophobicContact CD1-CG 4.2Å; I178-F190 HydrophobicContact CG2-CD1 4.24Å; I178-F190 HydrophobicContact CG2-CG 4.37Å; A180-F190 HydrophobicContact CB-CD2 4.28Å; A180-F190 HydrophobicContact CB-CE1 4.23Å; A180-F190 HydrophobicContact CB-CE2 3.53Å; A180-F190 HydrophobicContact CB-CZ 3.51Å; L181-F190 HydrophobicContact CD1-CE2 4.1Å; L181-F190 HydrophobicContact CG-CE2 4.35Å; W185-F190 HydrophobicContact CB-CB 3.96Å; W185-F190 HydrophobicContact CB-CD2 4.18Å; W185-F190 HydrophobicContact CB-CG 4.42Å; W185-F190 AromaticContact CD2-CD2 3.78Å; W185-F190 HydrophobicContact CD2-CD2 3.78Å; W185-F190 HydrophobicContact CD2-CE2 4.5Å; W185-F190 HydrophobicContact CE3-CD2 4.2Å; W185-F190 HydrophobicContact CG-CB 4.41Å; W185-F190 AromaticContact CG-CD2 3.73Å; W185-F190 HydrophobicContact CG-CD2 3.73Å; W185-F190 HydrophobicContact CG-CG 4.44Å; H186-F190 PolarHBondContact O-N 3.22Å; H186-F190 VanDerWaalsContact O-N 3.12Å; F190-L199 HydrophobicContact CD1-CB 3.68Å; F190-L199 HydrophobicContact CE1-CB 3.66Å; F190-L199 PolarHBondContact O-N 3.25Å; F190-F204 AromaticContact CE1-CD1 3.59Å; F190-F204 HydrophobicContact CE1-CD1 3.59Å; F190-F204 HydrophobicContact CE1-CD2 4.47Å; F190-F204 AromaticContact CE1-CE1 3.77Å; F190-F204 HydrophobicContact CE1-CE1 3.77Å; F190-F204 AromaticContact CE1-CG 3.98Å; F190-F204 HydrophobicContact CE1-CG 3.98Å; F190-F204 HydrophobicContact CE1-CZ 4.31Å; F190-F204 AromaticContact CZ-CD1 3.81Å; F190-F204 HydrophobicContact CZ-CD1 3.81Å; F190-F204 AromaticContact CZ-CD2 3.95Å; F190-F204 HydrophobicContact CZ-CD2 3.95Å; F190-F204 AromaticContact CZ-CE1 3.72Å; F190-F204 HydrophobicContact CZ-CE1 3.72Å; F190-F204 AromaticContact CZ-CE2 3.89Å; F190-F204 HydrophobicContact CZ-CE2 3.89Å; F190-F204 AromaticContact CZ-CG 3.93Å; F190-F204 HydrophobicContact CZ-CG 3.93Å; F190-F204 AromaticContact CZ-CZ 3.77Å; F190-F204 HydrophobicContact CZ-CZ 3.77Å; F190-P211 HydrophobicContact CD2-CG 4.45Å; F190-P211 HydrophobicContact CE2-CB 3.85Å; F190-P211 HydrophobicContact CE2-CG 3.99Å; F190-P211 HydrophobicContact CZ-CB 3.82Å; F190-P211 HydrophobicContact CZ-CG 4.43Å
191V92.6Very high88.7Confident34 Ų3463.2 Ų63.221%0.20634%0.343CS..BIsolated β-bridgetrans-115.2153.5-175.1-640000111.6E188 H189 M193 K196 K197 E198E188-V191 VanDerWaalsContact O-CG1 3.29Å; E188-V191 WeakPolarHBondContact O-CG1 3.16Å; H189-V191 PolarHBondContact O-N 3.48Å; V191-M193 PolarHBondContact O-N 2.96Å; V191-K196 WeakPolarHBondContact CB-O 3.39Å; V191-K196 WeakPolarHBondContact CG1-O 3.32Å; V191-K196 HydrophobicContact CG2-CD 4.29Å; V191-K197 CarbonylContact C-O 3.6Å; V191-K197 VanDerWaalsContact CA-O 3.26Å; V191-K197 WeakPolarHBondContact CA-O 3.44Å; V191-E198 HydrophobicContact CG1-CG 4.13Å
192C93.1Very high88.5Confident0 Ų064.8 Ų64.80%035%0.354CS..  trans-58.8132.6172.7176.20000111.2V194 K196 K197 L199 P211 C213 D216C192-V194 PolarHBondContact O-N 3.18Å; C192-V194 VanDerWaalsContact O-N 3.15Å; C192-V194 PolarHBondContact SG-N 3.43Å; C192-V194 VanDerWaalsContact SG-N 3.42Å; C192-K196 VanDerWaalsContact O-CA 3.24Å; C192-K196 WeakPolarHBondContact O-CA 3.23Å; C192-K196 PolarHBondContact O-N 3.42Å; C192-K197 PolarHBondContact N-O 3.12Å; C192-L199 HydrophobicContact CB-CD1 4.02Å; C192-L199 HydrophobicContact CB-CD2 4.45Å; C192-L199 HydrophobicContact CB-CG 4.35Å; C192-P211 WeakPolarHBondContact CA-O 3.4Å; C192-C213 HydrophobicContact CB-CB 4.04Å; C192-C213 PolarHBondContact SG-N 3.33Å; C192-D216 PolarHBondContact SG-OD2 2.88Å
193M91.5Very high88.5Confident70 Ų7062.6 Ų62.635%0.34533%0.332SS..THydrogen-bonded Turntrans-52.9-35.9177.2-86.2-62.3-61.700114.3V191 K196 R210 P211 Y212V191-M193 PolarHBondContact O-N 2.96Å; M193-K196 PolarHBondContact O-NZ 3.45Å; M193-R210 HydrophobicContact CG-CB 3.86Å; M193-R210 HydrophobicContact CG-CG 4.22Å; M193-P211 PolarHBondContact N-O 2.87Å; M193-Y212 HydrophobicContact CB-CD1 4.45Å; M193-Y212 HydrophobicContact CB-CE1 4.05Å
194V92.8Very high88.7Confident76 Ų7661.1 Ų61.146%0.46132%0.324SS..THydrogen-bonded Turntrans-88.5-72.4-174.5-177.30000110.8C192 K196 Y212 D216 L220C192-V194 PolarHBondContact O-N 3.18Å; C192-V194 VanDerWaalsContact O-N 3.15Å; C192-V194 PolarHBondContact SG-N 3.43Å; C192-V194 VanDerWaalsContact SG-N 3.42Å; V194-K196 VanDerWaalsContact C-N 3.34Å; V194-K196 PolarHBondContact O-N 2.96Å; V194-Y212 HydrophobicContact CG2-CD1 3.97Å; V194-Y212 HydrophobicContact CG2-CE1 3.9Å; V194-D216 HydrophobicContact CB-CB 4Å; V194-D216 HydrophobicContact CG1-CB 4.38Å; V194-D216 HydrophobicContact CG2-CB 4.16Å; V194-L220 HydrophobicContact CG2-CD1 3.71Å
195C93.3Very high88.8Confident63 Ų6363 Ų6343%0.42633%0.33SS..THydrogen-bonded Turntrans-82.3-1.5-174.371.20000115.8K197 D216C195-K197 PolarHBondContact O-N 2.91Å; C195-K197 VanDerWaalsContact SG-CB 3.53Å; C195-D216 WeakPolarHBondContact CB-OD2 3.34Å; C195-D216 PolarHBondContact N-OD2 3.26Å; C195-D216 PolarHBondContact SG-OD2 3.24Å
196K91Very high88.9Confident125 Ų12566.4 Ų66.454%0.54335%0.347SS..  trans5615.4-176.4-53.1-52.4-173-1620115.9V191 C192 M193 V194V191-K196 WeakPolarHBondContact CB-O 3.39Å; V191-K196 WeakPolarHBondContact CG1-O 3.32Å; V191-K196 HydrophobicContact CG2-CD 4.29Å; C192-K196 VanDerWaalsContact O-CA 3.24Å; C192-K196 WeakPolarHBondContact O-CA 3.23Å; C192-K196 PolarHBondContact O-N 3.42Å; M193-K196 PolarHBondContact O-NZ 3.45Å; V194-K196 VanDerWaalsContact C-N 3.34Å; V194-K196 PolarHBondContact O-N 2.96Å
197K90.8Very high88.9Confident127 Ų12770 Ų7055%0.55236%0.359SS*.  trans-67.8137172.2-179176-66.8-174.50111.1V191 C192 C195 L199V191-K197 CarbonylContact C-O 3.6Å; V191-K197 VanDerWaalsContact CA-O 3.26Å; V191-K197 WeakPolarHBondContact CA-O 3.44Å; C192-K197 PolarHBondContact N-O 3.12Å; C195-K197 PolarHBondContact O-N 2.91Å; C195-K197 VanDerWaalsContact SG-CB 3.53Å; K197-L199 PolarHBondContact O-N 2.77Å
198E90.4Very high89Confident98 Ų9876.6 Ų76.646%0.45839%0.388SS..BIsolated β-bridgetrans-59.1128171.7-67.8177.6-142.600112.5V191 S200 T202V191-E198 HydrophobicContact CG1-CG 4.13Å; E198-S200 PolarHBondContact OE2-OG 3.21Å; E198-T202 PolarHBondContact O-OG1 3.37Å
199L90.2Very high88.9Confident5 Ų571.9 Ų71.93%0.02638%0.378CS..  trans-100.915177.2-61.9170.6000111.5F190 C192 K197 T201 F204 P211 C213F190-L199 HydrophobicContact CD1-CB 3.68Å; F190-L199 HydrophobicContact CE1-CB 3.66Å; F190-L199 PolarHBondContact O-N 3.25Å; C192-L199 HydrophobicContact CB-CD1 4.02Å; C192-L199 HydrophobicContact CB-CD2 4.45Å; C192-L199 HydrophobicContact CB-CG 4.35Å; K197-L199 PolarHBondContact O-N 2.77Å; L199-T201 VanDerWaalsContact C-N 3.26Å; L199-T201 PolarHBondContact O-N 3.5Å; L199-F204 HydrophobicContact CB-CB 4.16Å; L199-F204 HydrophobicContact CD1-CB 3.83Å; L199-F204 HydrophobicContact CD2-CB 4.15Å; L199-F204 HydrophobicContact CG-CB 4.27Å; L199-P211 HydrophobicContact CD1-CB 3.78Å; L199-P211 HydrophobicContact CD1-CG 4.49Å; L199-C213 HydrophobicContact CD2-CB 3.71Å
200S80.4Confident88.9Confident35 Ų3574 Ų7425%0.24538%0.383CS..SBendtrans-67.7-22.9-175.864.60000114.4E198E198-S200 PolarHBondContact OE2-OG 3.21Å
201T78.8Confident88.9Confident119 Ų11974.3 Ų74.373%0.7339%0.385SS*.SBendtrans-130.4-10-175.9520000113.5L199L199-T201 VanDerWaalsContact C-N 3.26Å; L199-T201 PolarHBondContact O-N 3.5Å
202T79.3Confident89Confident70 Ų7073.8 Ų73.843%0.42938%0.379SS..SBendtrans-109.4151.1-179.949.80000110.5E198E198-T202 PolarHBondContact O-OG1 3.37Å
203G83.8Confident89Confident35 Ų3574.4 Ų74.436%0.36138%0.384SS..  trans-60.6140172.400000110.8
204F91.5Very high88.9Confident75 Ų7574.9 Ų74.933%0.32939%0.388SS..EExtended strand (participates in β ladder)trans-124158.4177.771.4-89.2000111A180 L181 F190 L199 P211 Y212A180-F204 HydrophobicContact CB-CE1 4.28Å; A180-F204 HydrophobicContact CB-CZ 3.88Å; L181-F204 HydrophobicContact CD2-CE2 3.93Å; F190-F204 AromaticContact CE1-CD1 3.59Å; F190-F204 HydrophobicContact CE1-CD1 3.59Å; F190-F204 HydrophobicContact CE1-CD2 4.47Å; F190-F204 AromaticContact CE1-CE1 3.77Å; F190-F204 HydrophobicContact CE1-CE1 3.77Å; F190-F204 AromaticContact CE1-CG 3.98Å; F190-F204 HydrophobicContact CE1-CG 3.98Å; F190-F204 HydrophobicContact CE1-CZ 4.31Å; F190-F204 AromaticContact CZ-CD1 3.81Å; F190-F204 HydrophobicContact CZ-CD1 3.81Å; F190-F204 AromaticContact CZ-CD2 3.95Å; F190-F204 HydrophobicContact CZ-CD2 3.95Å; F190-F204 AromaticContact CZ-CE1 3.72Å; F190-F204 HydrophobicContact CZ-CE1 3.72Å; F190-F204 AromaticContact CZ-CE2 3.89Å; F190-F204 HydrophobicContact CZ-CE2 3.89Å; F190-F204 AromaticContact CZ-CG 3.93Å; F190-F204 HydrophobicContact CZ-CG 3.93Å; F190-F204 AromaticContact CZ-CZ 3.77Å; F190-F204 HydrophobicContact CZ-CZ 3.77Å; L199-F204 HydrophobicContact CB-CB 4.16Å; L199-F204 HydrophobicContact CD1-CB 3.83Å; L199-F204 HydrophobicContact CD2-CB 4.15Å; L199-F204 HydrophobicContact CG-CB 4.27Å; F204-P211 HydrophobicContact CD2-CB 4.31Å; F204-Y212 WeakPolarHBondContact CA-O 3.4Å
205F91.1Very high88.8Confident67 Ų6778.9 Ų78.929%0.29440%0.399SS..EExtended strand (participates in β ladder)trans-112.3143.8171.5-67.7-92.1000110Y212 D214 Y217 H218F205-Y212 PolarHBondContact N-O 2.91Å; F205-Y212 PolarHBondContact O-N 3.36Å; F205-D214 HydrophobicContact CE2-CB 4.05Å; F205-Y217 HydrophobicContact CB-CD1 3.93Å; F205-Y217 HydrophobicContact CB-CD2 3.35Å; F205-Y217 HydrophobicContact CB-CE1 4.29Å; F205-Y217 HydrophobicContact CB-CE2 3.75Å; F205-Y217 HydrophobicContact CB-CG 3.46Å; F205-Y217 VanDerWaalsContact CB-CG 3.46Å; F205-Y217 AromaticContact CD1-CD1 3.98Å; F205-Y217 HydrophobicContact CD1-CD1 3.98Å; F205-Y217 AromaticContact CD1-CE1 3.96Å; F205-Y217 HydrophobicContact CD1-CE1 3.96Å; F205-Y217 HydrophobicContact CD1-CG 4.39Å; F205-Y217 HydrophobicContact CD2-CD1 4.21Å; F205-Y217 HydrophobicContact CD2-CG 4.18Å; F205-Y217 AromaticContact CG-CD1 3.78Å; F205-Y217 HydrophobicContact CG-CD1 3.78Å; F205-Y217 HydrophobicContact CG-CD2 4.14Å; F205-Y217 HydrophobicContact CG-CE1 4.17Å; F205-Y217 HydrophobicContact CG-CE2 4.49Å; F205-Y217 AromaticContact CG-CG 3.77Å; F205-Y217 HydrophobicContact CG-CG 3.77Å; F205-H218 AromaticContact CE2-CE1 3.82Å; F205-H218 AromaticContact CZ-CE1 3.77Å
206E91.8Very high88.8Confident109 Ų10976.9 Ų76.951%0.50938%0.384SS..EExtended strand (participates in β ladder)trans-101133.4175.7176173-175.600110.4L181L181-E206 HydrophobicContact CD2-CB 3.77Å; L181-E206 HydrophobicContact CD2-CG 3.53Å; L181-E206 WeakPolarHBondContact CD2-OE2 3.4Å
207R89.8Confident88.8Confident117 Ų11773 Ų7344%0.44237%0.366SS..EExtended strand (participates in β ladder)trans-140.1125.7166-161.676.3-178.3-177.40.1107.9G209 R210 Y212 Y217 F221R207-G209 VanDerWaalsContact C-N 3.29Å; R207-G209 PolarHBondContact O-N 2.86Å; R207-R210 PolarHBondContact N-O 2.89Å; R207-R210 VanDerWaalsContact N-O 3.09Å; R207-R210 WeakPolarHBondContact O-CB 3.42Å; R207-R210 PolarHBondContact O-N 2.73Å; R207-Y212 HydrophobicContact CB-CD2 4.11Å; R207-Y212 HydrophobicContact CB-CE2 3.76Å; R207-Y217 HydrophobicContact CB-CE2 4.19Å; R207-F221 HydrophobicContact CB-CE2 4.17Å; R207-F221 HydrophobicContact CB-CZ 4.32Å; R207-F221 HydrophobicContact CG-CE1 4.22Å; R207-F221 HydrophobicContact CG-CE2 4.23Å; R207-F221 HydrophobicContact CG-CZ 4.08Å
208E88.1Confident88.9Confident163 Ų16368.4 Ų68.476%0.76235%0.347SS*.THydrogen-bonded Turntrans52.442.6175.9-63.1164.1-155.600113.7R210E208-R210 PolarHBondContact O-N 2.92Å
209G86.1Confident88.8Confident45 Ų4569.4 Ų69.446%0.46435%0.351SS..THydrogen-bonded Turntrans67.916-178.200000114.7R207R207-G209 VanDerWaalsContact C-N 3.29Å; R207-G209 PolarHBondContact O-N 2.86Å
210R89.6Confident88.8Confident119 Ų11974 Ų7445%0.44938%0.375SS..EExtended strand (participates in β ladder)trans-117137-179.4-66.3178-173.1-760.4111.5M193 R207 E208 Y212M193-R210 HydrophobicContact CG-CB 3.86Å; M193-R210 HydrophobicContact CG-CG 4.22Å; R207-R210 PolarHBondContact N-O 2.89Å; R207-R210 VanDerWaalsContact N-O 3.09Å; R207-R210 WeakPolarHBondContact O-CB 3.42Å; R207-R210 PolarHBondContact O-N 2.73Å; E208-R210 PolarHBondContact O-N 2.92Å; R210-Y212 HydrophobicContact CB-CE2 3.65Å; R210-Y212 VanDerWaalsContact O-CD2 3.28Å; R210-Y212 WeakPolarHBondContact O-CD2 3.5Å; R210-Y212 WeakPolarHBondContact O-CE2 3.18Å
211P91.9Very high89.3Confident8 Ų875.9 Ų75.95%0.05238%0.379CS..EExtended strand (participates in β ladder)trans-88.1133.9178.534-32.2000112L181 F190 C192 M193 L199 F204L181-P211 HydrophobicContact CD1-CB 4.13Å; L181-P211 HydrophobicContact CD1-CG 4.08Å; F190-P211 HydrophobicContact CD2-CG 4.45Å; F190-P211 HydrophobicContact CE2-CB 3.85Å; F190-P211 HydrophobicContact CE2-CG 3.99Å; F190-P211 HydrophobicContact CZ-CB 3.82Å; F190-P211 HydrophobicContact CZ-CG 4.43Å; C192-P211 WeakPolarHBondContact CA-O 3.4Å; M193-P211 PolarHBondContact N-O 2.87Å; L199-P211 HydrophobicContact CD1-CB 3.78Å; L199-P211 HydrophobicContact CD1-CG 4.49Å; F204-P211 HydrophobicContact CD2-CB 4.31Å
212Y93.4Very high89.9Confident23 Ų2371 Ų719%0.0935%0.35CS..EExtended strand (participates in β ladder)trans-123.4145.5177-63.4-95000110.7M193 V194 F204 F205 R207 R210 Y217 L220 F221M193-Y212 HydrophobicContact CB-CD1 4.45Å; M193-Y212 HydrophobicContact CB-CE1 4.05Å; V194-Y212 HydrophobicContact CG2-CD1 3.97Å; V194-Y212 HydrophobicContact CG2-CE1 3.9Å; F204-Y212 WeakPolarHBondContact CA-O 3.4Å; F205-Y212 PolarHBondContact N-O 2.91Å; F205-Y212 PolarHBondContact O-N 3.36Å; R207-Y212 HydrophobicContact CB-CD2 4.11Å; R207-Y212 HydrophobicContact CB-CE2 3.76Å; R210-Y212 HydrophobicContact CB-CE2 3.65Å; R210-Y212 VanDerWaalsContact O-CD2 3.28Å; R210-Y212 WeakPolarHBondContact O-CD2 3.5Å; R210-Y212 WeakPolarHBondContact O-CE2 3.18Å; Y212-Y217 HydrophobicContact CD2-CD2 4.49Å; Y212-Y217 HydrophobicContact CG-CD2 4.49Å; Y212-L220 HydrophobicContact CE1-CD1 4.2Å; Y212-F221 HydrophobicContact CD1-CE2 4Å; Y212-F221 HydrophobicContact CD2-CE2 4.15Å; Y212-F221 AromaticContact CE1-CE2 3.84Å; Y212-F221 HydrophobicContact CE1-CE2 3.84Å; Y212-F221 HydrophobicContact CE1-CZ 4.01Å; Y212-F221 HydrophobicContact CE2-CE2 4.01Å; Y212-F221 HydrophobicContact CE2-CZ 4.24Å; Y212-F221 HydrophobicContact CG-CE2 4.16Å; Y212-F221 AromaticContact CZ-CE2 3.86Å; Y212-F221 AromaticContact CZ-CZ 3.81Å
213C92.8Very high90.6Very high14 Ų1470.2 Ų70.210%0.09535%0.346CS..EExtended strand (participates in β ladder)trans-74.3155.4166.387.20000109.7C192 L199 K215 D216 Y217C192-C213 HydrophobicContact CB-CB 4.04Å; C192-C213 PolarHBondContact SG-N 3.33Å; L199-C213 HydrophobicContact CD2-CB 3.71Å; C213-K215 VanDerWaalsContact C-N 3.3Å; C213-K215 PolarHBondContact O-N 3.23Å; C213-D216 PolarHBondContact O-N 3.15Å; C213-D216 VanDerWaalsContact SG-CG 3.51Å; C213-D216 PolarHBondContact SG-OD2 3.36Å; C213-Y217 WeakPolarHBondContact O-CB 3.37Å; C213-Y217 PolarHBondContact O-N 2.97Å
214D90.6Very high91Very high80 Ų8074.3 Ų74.343%0.42835%0.351SS..Hα-helixtrans-43.5-51.5177.8175.9-88.2000113.6F205 Y217 H218F205-D214 HydrophobicContact CE2-CB 4.05Å; D214-Y217 PolarHBondContact O-N 3.02Å; D214-H218 PolarHBondContact O-N 2.81Å; D214-H218 VanDerWaalsContact O-N 3.12Å; D214-H218 PolarHBondContact O-ND1 3.22Å; D214-H218 IonicContact OD1-ND1 3.86Å; D214-H218 IonicContact OD2-CE1 3.38Å; D214-H218 PolarHBondContact OD2-CE1 2.84Å; D214-H218 IonicContact OD2-ND1 3.51Å
215K90.4Very high91.2Very high160 Ų16070.8 Ų70.870%0.69634%0.335SS*.Hα-helixtrans-63.3-48.9-177.3-63.4-170.2176-166.30112.8C213 Q219C213-K215 VanDerWaalsContact C-N 3.3Å; C213-K215 PolarHBondContact O-N 3.23Å; K215-Q219 VanDerWaalsContact O-CB 3.23Å; K215-Q219 WeakPolarHBondContact O-CB 3.37Å; K215-Q219 PolarHBondContact O-N 3.42Å
216D92.5Very high91.3Very high21 Ų2168.2 Ų68.211%0.11233%0.327CS..Hα-helixtrans-69.2-36.5-177.1-62-34.6000111.2C192 V194 C195 C213 Q219 L220C192-D216 PolarHBondContact SG-OD2 2.88Å; V194-D216 HydrophobicContact CB-CB 4Å; V194-D216 HydrophobicContact CG1-CB 4.38Å; V194-D216 HydrophobicContact CG2-CB 4.16Å; C195-D216 WeakPolarHBondContact CB-OD2 3.34Å; C195-D216 PolarHBondContact N-OD2 3.26Å; C195-D216 PolarHBondContact SG-OD2 3.24Å; C213-D216 PolarHBondContact O-N 3.15Å; C213-D216 VanDerWaalsContact SG-CG 3.51Å; C213-D216 PolarHBondContact SG-OD2 3.36Å; D216-Q219 PolarHBondContact O-N 2.84Å; D216-L220 WeakPolarHBondContact O-CB 3.2Å; D216-L220 WeakPolarHBondContact O-CG 3.26Å; D216-L220 PolarHBondContact O-N 3.27Å; D216-L220 VanDerWaalsContact O-N 3.09Å
217Y92.8Very high91.3Very high43 Ų4369.4 Ų69.417%0.16933%0.327CS..Hα-helixtrans-61.1-53.6176.6-177.2-94.1000111F205 R207 Y212 C213 D214 Q219 L220 F221F205-Y217 HydrophobicContact CB-CD1 3.93Å; F205-Y217 HydrophobicContact CB-CD2 3.35Å; F205-Y217 HydrophobicContact CB-CE1 4.29Å; F205-Y217 HydrophobicContact CB-CE2 3.75Å; F205-Y217 HydrophobicContact CB-CG 3.46Å; F205-Y217 VanDerWaalsContact CB-CG 3.46Å; F205-Y217 AromaticContact CD1-CD1 3.98Å; F205-Y217 HydrophobicContact CD1-CD1 3.98Å; F205-Y217 AromaticContact CD1-CE1 3.96Å; F205-Y217 HydrophobicContact CD1-CE1 3.96Å; F205-Y217 HydrophobicContact CD1-CG 4.39Å; F205-Y217 HydrophobicContact CD2-CD1 4.21Å; F205-Y217 HydrophobicContact CD2-CG 4.18Å; F205-Y217 AromaticContact CG-CD1 3.78Å; F205-Y217 HydrophobicContact CG-CD1 3.78Å; F205-Y217 HydrophobicContact CG-CD2 4.14Å; F205-Y217 HydrophobicContact CG-CE1 4.17Å; F205-Y217 HydrophobicContact CG-CE2 4.49Å; F205-Y217 AromaticContact CG-CG 3.77Å; F205-Y217 HydrophobicContact CG-CG 3.77Å; R207-Y217 HydrophobicContact CB-CE2 4.19Å; Y212-Y217 HydrophobicContact CD2-CD2 4.49Å; Y212-Y217 HydrophobicContact CG-CD2 4.49Å; C213-Y217 WeakPolarHBondContact O-CB 3.37Å; C213-Y217 PolarHBondContact O-N 2.97Å; D214-Y217 PolarHBondContact O-N 3.02Å; Y217-Q219 VanDerWaalsContact C-N 3.34Å; Y217-Q219 PolarHBondContact O-N 3.39Å; Y217-L220 PolarHBondContact O-N 3.27Å; Y217-F221 AromaticContact CD2-CD2 3.52Å; Y217-F221 HydrophobicContact CD2-CD2 3.52Å; Y217-F221 HydrophobicContact CD2-CE2 4.03Å; Y217-F221 AromaticContact CE2-CD2 3.79Å; Y217-F221 HydrophobicContact CE2-CD2 3.79Å; Y217-F221 HydrophobicContact CE2-CE2 4.43Å; Y217-F221 HydrophobicContact CE2-CG 4.49Å; Y217-F221 HydrophobicContact CG-CD2 4.05Å; Y217-F221 WeakPolarHBondContact O-CB 3.43Å; Y217-F221 VanDerWaalsContact O-CD2 3.32Å; Y217-F221 WeakPolarHBondContact O-CD2 3.44Å; Y217-F221 PolarHBondContact O-N 2.88Å
218H90.9Very high91.5Very high30 Ų3066.6 Ų66.614%0.13933%0.325CS..Hα-helixtrans-68.3-32.8179.7-63.6103.8000112.3F205 D214 L220 S222 P231 L233F205-H218 AromaticContact CE2-CE1 3.82Å; F205-H218 AromaticContact CZ-CE1 3.77Å; D214-H218 PolarHBondContact O-N 2.81Å; D214-H218 VanDerWaalsContact O-N 3.12Å; D214-H218 PolarHBondContact O-ND1 3.22Å; D214-H218 IonicContact OD1-ND1 3.86Å; D214-H218 IonicContact OD2-CE1 3.38Å; D214-H218 PolarHBondContact OD2-CE1 2.84Å; D214-H218 IonicContact OD2-ND1 3.51Å; H218-L220 VanDerWaalsContact C-N 3.34Å; H218-L220 PolarHBondContact O-N 3.42Å; H218-S222 WeakPolarHBondContact CA-OG 3.31Å; H218-S222 PolarHBondContact CD2-OG 3.02Å; H218-S222 VanDerWaalsContact CD2-OG 3.25Å; H218-S222 WeakPolarHBondContact O-CB 3.15Å; H218-S222 PolarHBondContact O-N 3.45Å; H218-S222 PolarHBondContact O-OG 3.48Å; H218-P231 WeakPolarHBondContact O-CB 3.37Å; H218-L233 HydrophobicContact CB-CD2 3.54Å; H218-L233 VanDerWaalsContact CD2-CD2 3.43Å; H218-L233 WeakPolarHBondContact CD2-CD2 3.25Å; H218-L233 VanDerWaalsContact CG-CD2 3.48Å
219Q89.3Confident91.8Very high119 Ų11965.2 Ų65.256%0.55632%0.317SS*.Hα-helixtrans-65.5-35176.6-177.6171.1-5.800113.2K215 D216 Y217 R224K215-Q219 VanDerWaalsContact O-CB 3.23Å; K215-Q219 WeakPolarHBondContact O-CB 3.37Å; K215-Q219 PolarHBondContact O-N 3.42Å; D216-Q219 PolarHBondContact O-N 2.84Å; Y217-Q219 VanDerWaalsContact C-N 3.34Å; Y217-Q219 PolarHBondContact O-N 3.39Å; Q219-R224 PolarHBondContact O-NH2 2.97Å
220L89.7Confident92.1Very high102 Ų10264.1 Ų64.153%0.53431%0.305SS..Hα-helixtrans-91.5-38.7-177.6-69.3175.4000113.9V194 Y212 D216 Y217 H218V194-L220 HydrophobicContact CG2-CD1 3.71Å; Y212-L220 HydrophobicContact CE1-CD1 4.2Å; D216-L220 WeakPolarHBondContact O-CB 3.2Å; D216-L220 WeakPolarHBondContact O-CG 3.26Å; D216-L220 PolarHBondContact O-N 3.27Å; D216-L220 VanDerWaalsContact O-N 3.09Å; Y217-L220 PolarHBondContact O-N 3.27Å; H218-L220 VanDerWaalsContact C-N 3.34Å; H218-L220 PolarHBondContact O-N 3.42Å
221F90.5Very high92.2Very high74 Ų7460.5 Ų60.533%0.32530%0.297SS..Hα-helixtrans-116.6-13.2-165.7-51.9-62.2000114.9R207 Y212 Y217R207-F221 HydrophobicContact CB-CE2 4.17Å; R207-F221 HydrophobicContact CB-CZ 4.32Å; R207-F221 HydrophobicContact CG-CE1 4.22Å; R207-F221 HydrophobicContact CG-CE2 4.23Å; R207-F221 HydrophobicContact CG-CZ 4.08Å; Y212-F221 HydrophobicContact CD1-CE2 4Å; Y212-F221 HydrophobicContact CD2-CE2 4.15Å; Y212-F221 AromaticContact CE1-CE2 3.84Å; Y212-F221 HydrophobicContact CE1-CE2 3.84Å; Y212-F221 HydrophobicContact CE1-CZ 4.01Å; Y212-F221 HydrophobicContact CE2-CE2 4.01Å; Y212-F221 HydrophobicContact CE2-CZ 4.24Å; Y212-F221 HydrophobicContact CG-CE2 4.16Å; Y212-F221 AromaticContact CZ-CE2 3.86Å; Y212-F221 AromaticContact CZ-CZ 3.81Å; Y217-F221 AromaticContact CD2-CD2 3.52Å; Y217-F221 HydrophobicContact CD2-CD2 3.52Å; Y217-F221 HydrophobicContact CD2-CE2 4.03Å; Y217-F221 AromaticContact CE2-CD2 3.79Å; Y217-F221 HydrophobicContact CE2-CD2 3.79Å; Y217-F221 HydrophobicContact CE2-CE2 4.43Å; Y217-F221 HydrophobicContact CE2-CG 4.49Å; Y217-F221 HydrophobicContact CG-CD2 4.05Å; Y217-F221 WeakPolarHBondContact O-CB 3.43Å; Y217-F221 VanDerWaalsContact O-CD2 3.32Å; Y217-F221 WeakPolarHBondContact O-CD2 3.44Å; Y217-F221 PolarHBondContact O-N 2.88Å
222S92Very high92.3Very high17 Ų1760.5 Ų60.512%0.11930%0.296CS..SBendtrans-73.1141.6175.6-700000111.8H218H218-S222 WeakPolarHBondContact CA-OG 3.31Å; H218-S222 PolarHBondContact CD2-OG 3.02Å; H218-S222 VanDerWaalsContact CD2-OG 3.25Å; H218-S222 WeakPolarHBondContact O-CB 3.15Å; H218-S222 PolarHBondContact O-N 3.45Å; H218-S222 PolarHBondContact O-OG 3.48Å
223P93.4Very high92.1Very high54 Ų5464.6 Ų64.635%0.35132%0.319SS..  trans-60.1146.8169.924.5-30.2000110.1I232 I236 T243P223-I232 PolarHBondContact O-N 3.28Å; P223-I236 HydrophobicContact CB-CD1 3.87Å; P223-I236 HydrophobicContact CG-CD1 3.42Å; P223-I236 VanDerWaalsContact CG-CD1 3.42Å; P223-I236 HydrophobicContact CG-CG1 4.44Å; P223-T243 HydrophobicContact CB-CG2 4.02Å
224R93.8Very high91.7Very high120 Ų12071 Ų7145%0.45335%0.348SS..BIsolated β-bridgetrans-106.5136.8-174.3-70.9179.7174.1-89.3-4.9110.9Q219 A226 K229 G230 T243Q219-R224 PolarHBondContact O-NH2 2.97Å; R224-A226 PolarHBondContact O-N 3.5Å; R224-K229 PolarHBondContact NH1-O 3.32Å; R224-G230 WeakPolarHBondContact CA-O 3.36Å; R224-T243 PolarHBondContact O-OG1 3.48Å
225C94.7Very high91.6Very high1 Ų173.5 Ų73.51%0.00736%0.361CS..  trans-65.1126.4177.1176.50000111Y227 C228 K229 G230 I232 T243 H245C225-Y227 PolarHBondContact O-N 2.79Å; C225-C228 VanDerWaalsContact CB-SG 3.58Å; C225-K229 WeakPolarHBondContact O-CA 3.35Å; C225-K229 PolarHBondContact O-N 3.33Å; C225-G230 PolarHBondContact N-O 3.29Å; C225-I232 HydrophobicContact CB-CD1 4.13Å; C225-I232 HydrophobicContact CB-CG1 4Å; C225-T243 CarbonylContact C-O 3.58Å; C225-T243 VanDerWaalsContact CA-O 3.26Å; C225-T243 WeakPolarHBondContact CA-O 3.47Å; C225-H245 WeakPolarHBondContact CB-ND1 3.29Å; C225-H245 PolarHBondContact SG-ND1 2.86Å; C225-H245 VanDerWaalsContact SG-ND1 3.42Å
226A92.9Very high91.7Very high13 Ų1370 Ų7011%0.10735%0.349CS..THydrogen-bonded Turntrans-59-31.5179.100000113.3R224 K229 Q242 T243 W244R224-A226 PolarHBondContact O-N 3.5Å; A226-K229 VanDerWaalsContact O-CE 3.31Å; A226-K229 WeakPolarHBondContact O-CE 3.19Å; A226-K229 PolarHBondContact O-NZ 3.33Å; A226-Q242 HydrophobicContact CB-CB 4.06Å; A226-Q242 HydrophobicContact CB-CG 4.4Å; A226-Q242 VanDerWaalsContact CB-OE1 3.27Å; A226-T243 PolarHBondContact N-O 2.94Å; A226-W244 HydrophobicContact CB-CD2 3.83Å; A226-W244 HydrophobicContact CB-CE3 3.87Å; A226-W244 HydrophobicContact CB-CH2 3.59Å; A226-W244 HydrophobicContact CB-CZ2 3.54Å; A226-W244 HydrophobicContact CB-CZ3 3.76Å
227Y93.1Very high91.7Very high135 Ų13571.8 Ų71.853%0.52936%0.358SS..THydrogen-bonded Turntrans-76.4-73.6173.6-173.7-102.5000112.4C225 K229 H248 F250C225-Y227 PolarHBondContact O-N 2.79Å; Y227-K229 VanDerWaalsContact C-N 3.35Å; Y227-K229 PolarHBondContact O-N 2.77Å; Y227-H248 HydrophobicContact CD1-CB 4.17Å; Y227-H248 AromaticContact CD1-CD2 3.29Å; Y227-H248 WeakPolarHBondContact CD1-CD2 3.43Å; Y227-H248 AromaticContact CD1-CG 3.9Å; Y227-H248 AromaticContact CD1-NE2 3.96Å; Y227-H248 AromaticContact CE1-CD2 3.7Å; Y227-H248 HydrophobicContact CG-CB 4.37Å; Y227-F250 HydrophobicContact CD2-CZ 4.08Å; Y227-F250 HydrophobicContact CE1-CE1 4.47Å; Y227-F250 HydrophobicContact CE1-CZ 4.18Å; Y227-F250 HydrophobicContact CE2-CE2 4.33Å; Y227-F250 AromaticContact CE2-CZ 3.65Å; Y227-F250 HydrophobicContact CE2-CZ 3.65Å; Y227-F250 AromaticContact CZ-CZ 3.7Å
228C94.1Very high91.8Very high58 Ų5874.6 Ų74.639%0.39238%0.38SS..THydrogen-bonded Turntrans-82.5-4.5-170.171.60000115.3C225 G230 H245C225-C228 VanDerWaalsContact CB-SG 3.58Å; C228-G230 PolarHBondContact O-N 2.93Å; C228-H245 VanDerWaalsContact SG-CE1 3.51Å; C228-H245 PolarHBondContact SG-ND1 2.9Å
229K92.7Very high91.8Very high134 Ų13473.8 Ų73.858%0.58338%0.379SS*.  trans58.60.2-176.2-48.4-53.4-173.1-172.10116.2R224 C225 A226 Y227R224-K229 PolarHBondContact NH1-O 3.32Å; C225-K229 WeakPolarHBondContact O-CA 3.35Å; C225-K229 PolarHBondContact O-N 3.33Å; A226-K229 VanDerWaalsContact O-CE 3.31Å; A226-K229 WeakPolarHBondContact O-CE 3.19Å; A226-K229 PolarHBondContact O-NZ 3.33Å; Y227-K229 VanDerWaalsContact C-N 3.35Å; Y227-K229 PolarHBondContact O-N 2.77Å
230G92.2Very high91.9Very high21 Ų2169.4 Ų69.422%0.21636%0.359CS..  trans-71.4155.2173.900000113.1R224 C225 C228R224-G230 WeakPolarHBondContact CA-O 3.36Å; C225-G230 PolarHBondContact N-O 3.29Å; C228-G230 PolarHBondContact O-N 2.93Å
231P93.4Very high92Very high44 Ų4472.7 Ų72.729%0.28638%0.377SS..BIsolated β-bridgetrans-68.9135174.929.9-33.8000111H218H218-P231 WeakPolarHBondContact O-CB 3.37Å
232I93.1Very high92.1Very high8 Ų873.1 Ų73.14%0.04138%0.38CS..  trans-88.4112.8175.7-56.2161.3000107.7P223 C225 Q234 I236P223-I232 PolarHBondContact O-N 3.28Å; C225-I232 HydrophobicContact CB-CD1 4.13Å; C225-I232 HydrophobicContact CB-CG1 4Å; I232-Q234 WeakPolarHBondContact CG2-O 3.37Å; I232-I236 HydrophobicContact CD1-CG1 4.16Å; I232-I236 HydrophobicContact CG2-CB 4.28Å; I232-I236 HydrophobicContact CG2-CG1 4.47Å
233L88.5Confident92.3Very high109 Ų10974 Ų7457%0.57139%0.385SS*.  trans-86.2-35.3-178.2-51.3-179.1000112.3H218H218-L233 HydrophobicContact CB-CD2 3.54Å; H218-L233 VanDerWaalsContact CD2-CD2 3.43Å; H218-L233 WeakPolarHBondContact CD2-CD2 3.25Å; H218-L233 VanDerWaalsContact CG-CD2 3.48Å
234Q85.8Confident92.4Very high147 Ų14772.6 Ų72.669%0.68737%0.373SS*.SBendtrans-145.4155.2-173.9-68-178.6-29.600109.8I232I232-Q234 WeakPolarHBondContact CG2-O 3.37Å
235N88.3Confident92.4Very high133 Ų13368.8 Ų68.871%0.71136%0.36SS*.  trans49.268.6176.3-61.7-12.3000113.6L237 P246N235-L237 PolarHBondContact O-N 2.94Å; N235-P246 HydrophobicContact CB-CG 4.18Å; N235-P246 WeakPolarHBondContact O-CD 3.42Å; N235-P246 WeakPolarHBondContact O-CG 3.4Å
236I91.8Very high92.3Very high87 Ų8771.6 Ų71.645%0.44638%0.378SS..  trans-71.4127.9174.6-164.3176000110.9P223 I232 T243P223-I236 HydrophobicContact CB-CD1 3.87Å; P223-I236 HydrophobicContact CG-CD1 3.42Å; P223-I236 VanDerWaalsContact CG-CD1 3.42Å; P223-I236 HydrophobicContact CG-CG1 4.44Å; I232-I236 HydrophobicContact CD1-CG1 4.16Å; I232-I236 HydrophobicContact CG2-CB 4.28Å; I232-I236 HydrophobicContact CG2-CG1 4.47Å; I236-T243 HydrophobicContact CD1-CG2 3.51Å; I236-T243 HydrophobicContact CG1-CG2 4.1Å
237L93.3Very high92.3Very high58 Ų5878.1 Ų78.130%0.30441%0.406SS..EExtended strand (participates in β ladder)trans-102.7125.4165.8-175.3137.6000108.7N235 A239 T243 W244 F249N235-L237 PolarHBondContact O-N 2.94Å; L237-A239 HydrophobicContact CD2-CB 3.86Å; L237-T243 CarbonylContact O-C 3.49Å; L237-T243 WeakPolarHBondContact O-CA 3.48Å; L237-W244 HydrophobicContact CB-CB 4.48Å; L237-W244 HydrophobicContact CD2-CB 4.14Å; L237-W244 HydrophobicContact CD2-CG 4.38Å; L237-W244 PolarHBondContact N-O 3.29Å; L237-W244 PolarHBondContact O-N 3.07Å; L237-F249 HydrophobicContact CD1-CD1 4.31Å; L237-F249 HydrophobicContact CD2-CB 3.81Å; L237-F249 HydrophobicContact CD2-CD1 3.51Å; L237-F249 HydrophobicContact CD2-CD2 4.02Å; L237-F249 HydrophobicContact CD2-CE1 4.06Å; L237-F249 HydrophobicContact CD2-CG 3.49Å; L237-F249 VanDerWaalsContact CD2-CG 3.49Å
238T93.8Very high92.4Very high102 Ų10274.3 Ų74.363%0.62639%0.393SS*.EExtended strand (participates in β ladder)trans-109.3117.4178.8-54.50000108.8Q242T238-Q242 WeakPolarHBondContact CA-O 3.49Å
239A92Very high92.4Very high14 Ų1472 Ų7212%0.11638%0.377CS..EExtended strand (participates in β ladder)trans-157.1149.9-179.100000109.7L237 D241 Q242 W244 F249 F263L237-A239 HydrophobicContact CD2-CB 3.86Å; A239-D241 VanDerWaalsContact C-N 3.28Å; A239-D241 PolarHBondContact O-N 2.75Å; A239-Q242 PolarHBondContact N-O 3.42Å; A239-Q242 CarbonylContact O-C 3.58Å; A239-Q242 PolarHBondContact O-N 2.9Å; A239-W244 PolarHBondContact O-NE1 2.85Å; A239-F249 HydrophobicContact CB-CD2 4.41Å; A239-F249 HydrophobicContact CB-CE1 4.12Å; A239-F249 HydrophobicContact CB-CE2 3.69Å; A239-F249 HydrophobicContact CB-CZ 3.53Å; A239-F263 HydrophobicContact CB-CE1 4.43Å; A239-F263 HydrophobicContact CB-CZ 4.13Å
240L91.3Very high92.5Very high26 Ų2668 Ų6814%0.13636%0.359CS..THydrogen-bonded Turntrans54.942.9-178.9-50.4-178.5000112.7Q242 W244 F249 F263 E265 P270L240-Q242 WeakPolarHBondContact O-CG 3.44Å; L240-Q242 PolarHBondContact O-N 2.83Å; L240-Q242 PolarHBondContact O-NE2 3.17Å; L240-Q242 VanDerWaalsContact O-NE2 3.15Å; L240-W244 HydrophobicContact CD1-CZ2 4.47Å; L240-F249 HydrophobicContact CD1-CE2 4.3Å; L240-F249 HydrophobicContact CG-CE2 4.46Å; L240-F263 HydrophobicContact CD2-CE2 3.83Å; L240-F263 HydrophobicContact CG-CE2 4.35Å; L240-E265 HydrophobicContact CD2-CB 3.9Å; L240-E265 VanDerWaalsContact CD2-CD 3.46Å; L240-E265 HydrophobicContact CD2-CG 3.55Å; L240-E265 VanDerWaalsContact CD2-OE2 3.25Å; L240-E265 WeakPolarHBondContact CD2-OE2 3.37Å; L240-P270 HydrophobicContact CD1-CB 4Å; L240-P270 HydrophobicContact CD1-CG 4.05Å
241D91Very high92.7Very high172 Ų17267 Ų6792%0.9235%0.349SS*.THydrogen-bonded Turntrans49.224.2-172.8-61.3-35.5000115A239A239-D241 VanDerWaalsContact C-N 3.28Å; A239-D241 PolarHBondContact O-N 2.75Å
242Q93.9Very high92.8Very high83 Ų8368.1 Ų68.139%0.38836%0.355SS..EExtended strand (participates in β ladder)trans-134161-174.3-77.9171.893.600111.5A226 T238 A239 L240 W244A226-Q242 HydrophobicContact CB-CB 4.06Å; A226-Q242 HydrophobicContact CB-CG 4.4Å; A226-Q242 VanDerWaalsContact CB-OE1 3.27Å; T238-Q242 WeakPolarHBondContact CA-O 3.49Å; A239-Q242 PolarHBondContact N-O 3.42Å; A239-Q242 CarbonylContact O-C 3.58Å; A239-Q242 PolarHBondContact O-N 2.9Å; L240-Q242 WeakPolarHBondContact O-CG 3.44Å; L240-Q242 PolarHBondContact O-N 2.83Å; L240-Q242 PolarHBondContact O-NE2 3.17Å; L240-Q242 VanDerWaalsContact O-NE2 3.15Å; Q242-W244 HydrophobicContact CB-CZ2 4.23Å; Q242-W244 VanDerWaalsContact O-CD1 3.29Å; Q242-W244 PolarHBondContact O-NE1 2.9Å
243T95.1Very high92.9Very high35 Ų3572.8 Ų72.822%0.21538%0.376CS..EExtended strand (participates in β ladder)trans-105.3137.7-179.754.10000110.5P223 R224 C225 A226 I236 L237P223-T243 HydrophobicContact CB-CG2 4.02Å; R224-T243 PolarHBondContact O-OG1 3.48Å; C225-T243 CarbonylContact C-O 3.58Å; C225-T243 VanDerWaalsContact CA-O 3.26Å; C225-T243 WeakPolarHBondContact CA-O 3.47Å; A226-T243 PolarHBondContact N-O 2.94Å; I236-T243 HydrophobicContact CD1-CG2 3.51Å; I236-T243 HydrophobicContact CG1-CG2 4.1Å; L237-T243 CarbonylContact O-C 3.49Å; L237-T243 WeakPolarHBondContact O-CA 3.48Å
244W95.3Very high93.2Very high25 Ų2569.8 Ų69.810%0.09536%0.364CS..EExtended strand (participates in β ladder)trans-136.8152.4-172.7-51.980.4000110.5A226 L237 A239 L240 Q242 F249A226-W244 HydrophobicContact CB-CD2 3.83Å; A226-W244 HydrophobicContact CB-CE3 3.87Å; A226-W244 HydrophobicContact CB-CH2 3.59Å; A226-W244 HydrophobicContact CB-CZ2 3.54Å; A226-W244 HydrophobicContact CB-CZ3 3.76Å; L237-W244 HydrophobicContact CB-CB 4.48Å; L237-W244 HydrophobicContact CD2-CB 4.14Å; L237-W244 HydrophobicContact CD2-CG 4.38Å; L237-W244 PolarHBondContact N-O 3.29Å; L237-W244 PolarHBondContact O-N 3.07Å; A239-W244 PolarHBondContact O-NE1 2.85Å; L240-W244 HydrophobicContact CD1-CZ2 4.47Å; Q242-W244 HydrophobicContact CB-CZ2 4.23Å; Q242-W244 VanDerWaalsContact O-CD1 3.29Å; Q242-W244 PolarHBondContact O-NE1 2.9Å; W244-F249 HydrophobicContact CB-CB 4.09Å; W244-F249 HydrophobicContact CB-CD2 4.48Å; W244-F249 AromaticContact CD2-CD2 3.71Å; W244-F249 HydrophobicContact CD2-CD2 3.71Å; W244-F249 HydrophobicContact CD2-CE2 4.46Å; W244-F249 AromaticContact CE2-CD2 3.92Å; W244-F249 HydrophobicContact CE3-CD2 4.08Å; W244-F249 HydrophobicContact CG-CB 4.36Å; W244-F249 AromaticContact CG-CD2 3.86Å; W244-F249 HydrophobicContact CG-CD2 3.86Å; W244-F249 HydrophobicContact CG-CG 4.45Å; W244-F249 HydrophobicContact CZ2-CD2 4.5Å
245H94.6Very high93.6Very high40 Ų4064.7 Ų64.719%0.18535%0.351CS..  trans-72.6145.4156-60.6101.6000107.8C225 C228 E247 H248 F249C225-H245 WeakPolarHBondContact CB-ND1 3.29Å; C225-H245 PolarHBondContact SG-ND1 2.86Å; C225-H245 VanDerWaalsContact SG-ND1 3.42Å; C228-H245 VanDerWaalsContact SG-CE1 3.51Å; C228-H245 PolarHBondContact SG-ND1 2.9Å; H245-E247 VanDerWaalsContact C-N 3.25Å; H245-E247 PolarHBondContact O-N 2.91Å; H245-H248 HydrophobicContact CB-CB 4.07Å; H245-H248 WeakPolarHBondContact CB-ND1 3.32Å; H245-H248 AromaticContact CG-ND1 3.56Å; H245-H248 AromaticContact ND1-CE1 3.96Å; H245-H248 AromaticContact ND1-ND1 3.22Å; H245-H248 PolarHBondContact ND1-ND1 3.5Å; H245-H248 CarbonylContact O-C 3.6Å; H245-H248 PolarHBondContact O-N 3.43Å; H245-F249 PolarHBondContact O-N 3.29Å
246P92.4Very high93.9Very high59 Ų5962.3 Ų62.338%0.38334%0.339SS..G310 helixtrans-57.9-39.8179-24.935.5000112.1N235 H248 F249 L257N235-P246 HydrophobicContact CB-CG 4.18Å; N235-P246 WeakPolarHBondContact O-CD 3.42Å; N235-P246 WeakPolarHBondContact O-CG 3.4Å; P246-H248 PolarHBondContact O-N 3.36Å; P246-F249 PolarHBondContact O-N 3.49Å; P246-L257 WeakPolarHBondContact O-CD2 3.45Å
247E93.1Very high93.9Very high151 Ų15163.2 Ų63.271%0.70634%0.344SS*.G310 helixtrans-67-18.5175.8-62.3172.1-171.300114.2H245 F250H245-E247 VanDerWaalsContact C-N 3.25Å; H245-E247 PolarHBondContact O-N 2.91Å; E247-F250 WeakPolarHBondContact O-CD1 3.49Å
248H93.9Very high94Very high54 Ų5462.5 Ų62.525%0.2534%0.338CS..G310 helixtrans-104.28.3-179.4-69.7123000112.9Y227 H245 P246Y227-H248 HydrophobicContact CD1-CB 4.17Å; Y227-H248 AromaticContact CD1-CD2 3.29Å; Y227-H248 WeakPolarHBondContact CD1-CD2 3.43Å; Y227-H248 AromaticContact CD1-CG 3.9Å; Y227-H248 AromaticContact CD1-NE2 3.96Å; Y227-H248 AromaticContact CE1-CD2 3.7Å; Y227-H248 HydrophobicContact CG-CB 4.37Å; H245-H248 HydrophobicContact CB-CB 4.07Å; H245-H248 WeakPolarHBondContact CB-ND1 3.32Å; H245-H248 AromaticContact CG-ND1 3.56Å; H245-H248 AromaticContact ND1-CE1 3.96Å; H245-H248 AromaticContact ND1-ND1 3.22Å; H245-H248 PolarHBondContact ND1-ND1 3.5Å; H245-H248 CarbonylContact O-C 3.6Å; H245-H248 PolarHBondContact O-N 3.43Å; P246-H248 PolarHBondContact O-N 3.36Å
249F95.3Very high93.7Very high11 Ų1159.9 Ų59.95%0.04833%0.331CS..  trans-110.584.4175-170.2-108.9000109.6L237 A239 L240 W244 H245 P246 F258 F263 P270L237-F249 HydrophobicContact CD1-CD1 4.31Å; L237-F249 HydrophobicContact CD2-CB 3.81Å; L237-F249 HydrophobicContact CD2-CD1 3.51Å; L237-F249 HydrophobicContact CD2-CD2 4.02Å; L237-F249 HydrophobicContact CD2-CE1 4.06Å; L237-F249 HydrophobicContact CD2-CG 3.49Å; L237-F249 VanDerWaalsContact CD2-CG 3.49Å; A239-F249 HydrophobicContact CB-CD2 4.41Å; A239-F249 HydrophobicContact CB-CE1 4.12Å; A239-F249 HydrophobicContact CB-CE2 3.69Å; A239-F249 HydrophobicContact CB-CZ 3.53Å; L240-F249 HydrophobicContact CD1-CE2 4.3Å; L240-F249 HydrophobicContact CG-CE2 4.46Å; W244-F249 HydrophobicContact CB-CB 4.09Å; W244-F249 HydrophobicContact CB-CD2 4.48Å; W244-F249 AromaticContact CD2-CD2 3.71Å; W244-F249 HydrophobicContact CD2-CD2 3.71Å; W244-F249 HydrophobicContact CD2-CE2 4.46Å; W244-F249 AromaticContact CE2-CD2 3.92Å; W244-F249 HydrophobicContact CE3-CD2 4.08Å; W244-F249 HydrophobicContact CG-CB 4.36Å; W244-F249 AromaticContact CG-CD2 3.86Å; W244-F249 HydrophobicContact CG-CD2 3.86Å; W244-F249 HydrophobicContact CG-CG 4.45Å; W244-F249 HydrophobicContact CZ2-CD2 4.5Å; H245-F249 PolarHBondContact O-N 3.29Å; P246-F249 PolarHBondContact O-N 3.49Å; F249-F258 AromaticContact CD1-CD2 3.46Å; F249-F258 HydrophobicContact CD1-CD2 3.46Å; F249-F258 VanDerWaalsContact CD1-CD2 3.46Å; F249-F258 AromaticContact CD1-CE2 3.61Å; F249-F258 HydrophobicContact CD1-CE2 3.61Å; F249-F258 AromaticContact CE1-CD2 3.47Å; F249-F258 HydrophobicContact CE1-CD2 3.47Å; F249-F258 VanDerWaalsContact CE1-CD2 3.47Å; F249-F258 AromaticContact CE1-CE2 3.52Å; F249-F258 HydrophobicContact CE1-CE2 3.52Å; F249-F258 HydrophobicContact CE2-CE2 4.47Å; F249-F258 HydrophobicContact CG-CD2 4.34Å; F249-F258 HydrophobicContact CG-CE2 4.13Å; F249-F258 HydrophobicContact CZ-CD2 4.35Å; F249-F258 AromaticContact CZ-CE2 3.97Å; F249-F258 HydrophobicContact CZ-CE2 3.97Å; F249-F258 VanDerWaalsContact O-CD2 3.28Å; F249-F258 WeakPolarHBondContact O-CD2 3.49Å; F249-F258 WeakPolarHBondContact O-CE2 3.42Å; F249-F263 AromaticContact CE1-CD1 3.54Å; F249-F263 HydrophobicContact CE1-CD1 3.54Å; F249-F263 AromaticContact CE1-CE1 3.69Å; F249-F263 HydrophobicContact CE1-CE1 3.69Å; F249-F263 HydrophobicContact CE1-CG 4Å; F249-F263 HydrophobicContact CE1-CZ 4.28Å; F249-F263 AromaticContact CZ-CD1 3.75Å; F249-F263 HydrophobicContact CZ-CD1 3.75Å; F249-F263 AromaticContact CZ-CD2 4Å; F249-F263 HydrophobicContact CZ-CD2 4Å; F249-F263 AromaticContact CZ-CE1 3.67Å; F249-F263 HydrophobicContact CZ-CE1 3.67Å; F249-F263 AromaticContact CZ-CE2 3.95Å; F249-F263 HydrophobicContact CZ-CE2 3.95Å; F249-F263 AromaticContact CZ-CG 3.91Å; F249-F263 HydrophobicContact CZ-CG 3.91Å; F249-F263 AromaticContact CZ-CZ 3.78Å; F249-F263 HydrophobicContact CZ-CZ 3.78Å; F249-P270 HydrophobicContact CD2-CG 4.29Å; F249-P270 HydrophobicContact CE2-CB 3.84Å; F249-P270 HydrophobicContact CE2-CG 3.79Å; F249-P270 HydrophobicContact CZ-CB 3.86Å; F249-P270 HydrophobicContact CZ-CG 4.32Å
250F95.6Very high93.5Very high49 Ų4965.7 Ų65.722%0.21537%0.368CS..BIsolated β-bridgetrans-128.3167.9-175.249.2-108.3000111.5Y227 E247 T252 G255 D256 L257 F258Y227-F250 HydrophobicContact CD2-CZ 4.08Å; Y227-F250 HydrophobicContact CE1-CE1 4.47Å; Y227-F250 HydrophobicContact CE1-CZ 4.18Å; Y227-F250 HydrophobicContact CE2-CE2 4.33Å; Y227-F250 AromaticContact CE2-CZ 3.65Å; Y227-F250 HydrophobicContact CE2-CZ 3.65Å; Y227-F250 AromaticContact CZ-CZ 3.7Å; E247-F250 WeakPolarHBondContact O-CD1 3.49Å; F250-T252 PolarHBondContact O-N 3.09Å; F250-G255 WeakPolarHBondContact CB-O 3.41Å; F250-D256 WeakPolarHBondContact CA-O 3.35Å; F250-D256 WeakPolarHBondContact CB-O 3.41Å; F250-L257 HydrophobicContact CB-CD2 4.16Å; F250-F258 VanDerWaalsContact C-CE2 3.49Å; F250-F258 WeakPolarHBondContact O-CZ 3.28Å
251C96.1Very high93.3Very high0 Ų071.1 Ų71.10%040%0.397CS..  trans-60.3125.9176.5179.70000111.2H253 C254 G255 D256 F258 C272C251-H253 PolarHBondContact O-N 3.33Å; C251-H253 VanDerWaalsContact O-N 3.07Å; C251-H253 PolarHBondContact SG-N 2.87Å; C251-C254 WeakPolarHBondContact CB-SG 3.42Å; C251-G255 VanDerWaalsContact O-CA 3.28Å; C251-G255 WeakPolarHBondContact O-CA 3.26Å; C251-G255 PolarHBondContact O-N 3.12Å; C251-D256 PolarHBondContact N-O 3.16Å; C251-F258 HydrophobicContact CB-CE1 4.01Å; C251-F258 HydrophobicContact CB-CZ 4.31Å; C251-F258 VanDerWaalsContact N-CZ 3.26Å; C251-C272 HydrophobicContact CB-CB 4.06Å; C251-C272 PolarHBondContact SG-N 3.15Å
252T95.2Very high93.3Very high67 Ų6764.3 Ų64.341%0.41137%0.368SS..THydrogen-bonded Turntrans-61.6-19.8-179.8-530000113.5F250 K269 P270F250-T252 PolarHBondContact O-N 3.09Å; T252-K269 HydrophobicContact CG2-CD 4.28Å; T252-P270 WeakPolarHBondContact CB-O 3.36Å; T252-P270 PolarHBondContact N-O 3.39Å; T252-P270 WeakPolarHBondContact OG1-CD 3.28Å; T252-P270 PolarHBondContact OG1-O 3.31Å
253H94.4Very high93.3Very high106 Ų10664.1 Ų64.149%0.49137%0.366SS..THydrogen-bonded Turntrans-98.2-61-178.3178.4-98.6000113.1C251 Y271 D275 L279C251-H253 PolarHBondContact O-N 3.33Å; C251-H253 VanDerWaalsContact O-N 3.07Å; C251-H253 PolarHBondContact SG-N 2.87Å; H253-Y271 HydrophobicContact CB-CD1 4.14Å; H253-Y271 HydrophobicContact CB-CE1 4.16Å; H253-D275 HydrophobicContact CB-CB 4.22Å; H253-D275 WeakPolarHBondContact CB-OD2 3.47Å; H253-D275 IonicContact CE1-OD2 3.49Å; H253-D275 IonicContact CG-OD2 2.75Å; H253-D275 IonicContact ND1-OD2 3.21Å; H253-D275 PolarHBondContact ND1-OD2 3.14Å; H253-L279 HydrophobicContact CB-CD1 3.96Å
254C94.9Very high93.2Very high46 Ų4664.8 Ų64.831%0.31137%0.368SS..THydrogen-bonded Turntrans-84.5-18.3179.761.40000115.5C251 D256 D275C251-C254 WeakPolarHBondContact CB-SG 3.42Å; C254-D256 PolarHBondContact O-N 3.46Å; C254-D256 VanDerWaalsContact SG-CB 3.58Å; C254-D256 VanDerWaalsContact SG-CG 3.52Å; C254-D256 PolarHBondContact SG-OD2 2.91Å; C254-D275 WeakPolarHBondContact CB-OD2 3.18Å; C254-D275 PolarHBondContact N-OD2 3Å; C254-D275 VanDerWaalsContact N-OD2 3.17Å; C254-D275 PolarHBondContact SG-OD2 3.17Å
255G93.6Very high93.2Very high41 Ų4168.8 Ų68.842%0.42339%0.387SS..  trans77.9-0.1-173.800000115.2F250 C251F250-G255 WeakPolarHBondContact CB-O 3.41Å; C251-G255 VanDerWaalsContact O-CA 3.28Å; C251-G255 WeakPolarHBondContact O-CA 3.26Å; C251-G255 PolarHBondContact O-N 3.12Å
256D94.6Very high93.1Very high83 Ų8370.7 Ų70.744%0.44440%0.395SS..PPolyproline II helixtrans-68.9140.4177.1-61.6-39.2000111.3F250 C251 C254 R274F250-D256 WeakPolarHBondContact CA-O 3.35Å; F250-D256 WeakPolarHBondContact CB-O 3.41Å; C251-D256 PolarHBondContact N-O 3.16Å; C254-D256 PolarHBondContact O-N 3.46Å; C254-D256 VanDerWaalsContact SG-CB 3.58Å; C254-D256 VanDerWaalsContact SG-CG 3.52Å; C254-D256 PolarHBondContact SG-OD2 2.91Å; D256-R274 IonicContact OD2-NH2 3.88Å; D256-R274 PolarHBondContact OD2-NH2 2.92Å; D256-R274 VanDerWaalsContact OD2-NH2 3.15Å
257L93.1Very high93.1Very high106 Ų10673.9 Ų73.956%0.55541%0.409SS*.BIsolated β-bridgetrans-66.5150.1168.8-69.2170.1000111P246 F250P246-L257 WeakPolarHBondContact O-CD2 3.45Å; F250-L257 HydrophobicContact CB-CD2 4.16Å
258F94.2Very high92.9Very high42 Ų4268.5 Ų68.518%0.18439%0.394CS..PPolyproline II helixtrans-74130.1-179.5-57.9-62.9000112.2F249 F250 C251 G262 F263 P270 C272F249-F258 AromaticContact CD1-CD2 3.46Å; F249-F258 HydrophobicContact CD1-CD2 3.46Å; F249-F258 VanDerWaalsContact CD1-CD2 3.46Å; F249-F258 AromaticContact CD1-CE2 3.61Å; F249-F258 HydrophobicContact CD1-CE2 3.61Å; F249-F258 AromaticContact CE1-CD2 3.47Å; F249-F258 HydrophobicContact CE1-CD2 3.47Å; F249-F258 VanDerWaalsContact CE1-CD2 3.47Å; F249-F258 AromaticContact CE1-CE2 3.52Å; F249-F258 HydrophobicContact CE1-CE2 3.52Å; F249-F258 HydrophobicContact CE2-CE2 4.47Å; F249-F258 HydrophobicContact CG-CD2 4.34Å; F249-F258 HydrophobicContact CG-CE2 4.13Å; F249-F258 HydrophobicContact CZ-CD2 4.35Å; F249-F258 AromaticContact CZ-CE2 3.97Å; F249-F258 HydrophobicContact CZ-CE2 3.97Å; F249-F258 VanDerWaalsContact O-CD2 3.28Å; F249-F258 WeakPolarHBondContact O-CD2 3.49Å; F249-F258 WeakPolarHBondContact O-CE2 3.42Å; F250-F258 VanDerWaalsContact C-CE2 3.49Å; F250-F258 WeakPolarHBondContact O-CZ 3.28Å; C251-F258 HydrophobicContact CB-CE1 4.01Å; C251-F258 HydrophobicContact CB-CZ 4.31Å; C251-F258 VanDerWaalsContact N-CZ 3.26Å; F258-G262 WeakPolarHBondContact CD1-O 3.35Å; F258-F263 HydrophobicContact CD1-CB 3.52Å; F258-F263 HydrophobicContact CD2-CB 3.95Å; F258-F263 HydrophobicContact CE1-CB 3.52Å; F258-F263 HydrophobicContact CE2-CB 3.92Å; F258-F263 HydrophobicContact CE2-CG 4.48Å; F258-F263 HydrophobicContact CG-CB 3.75Å; F258-F263 HydrophobicContact CZ-CB 3.72Å; F258-P270 HydrophobicContact CE2-CB 3.92Å; F258-P270 HydrophobicContact CE2-CG 4.34Å; F258-P270 HydrophobicContact CZ-CB 3.66Å; F258-P270 HydrophobicContact CZ-CG 4.22Å; F258-C272 HydrophobicContact CD1-CB 4.35Å; F258-C272 HydrophobicContact CE1-CB 4.2Å
259G88.3Confident92.8Very high47 Ų4771 Ų7149%0.48540%0.404SS..  trans-86.1-162.3175.100000113D261 G262G259-D261 PolarHBondContact O-N 3.22Å; G259-G262 PolarHBondContact O-N 3.22Å
260P88.3Confident92.8Very high137 Ų13770.8 Ų70.889%0.8940%0.404SS*.THydrogen-bonded Turntrans-63.4-23.6179.427.9-35.7000113.4G262P260-G262 PolarHBondContact O-N 3.02Å
261D86.9Confident92.8Very high140 Ų14069.8 Ų69.875%0.74940%0.399SS*.THydrogen-bonded Turntrans-70-8.6174.9-54.9-45000113.4G259G259-D261 PolarHBondContact O-N 3.22Å
262G90.6Very high92.7Very high29 Ų2970.7 Ų70.730%0.29941%0.405SS..  trans72.5-146.3178.700000114.1F258 G259 P260F258-G262 WeakPolarHBondContact CD1-O 3.35Å; G259-G262 PolarHBondContact O-N 3.22Å; P260-G262 PolarHBondContact O-N 3.02Å
263F94.6Very high92.5Very high78 Ų7869.4 Ų69.434%0.34240%0.398SS..  trans-138.7159.4-177.471.1-86000111A239 L240 F249 F258 P270 Y271A239-F263 HydrophobicContact CB-CE1 4.43Å; A239-F263 HydrophobicContact CB-CZ 4.13Å; L240-F263 HydrophobicContact CD2-CE2 3.83Å; L240-F263 HydrophobicContact CG-CE2 4.35Å; F249-F263 AromaticContact CE1-CD1 3.54Å; F249-F263 HydrophobicContact CE1-CD1 3.54Å; F249-F263 AromaticContact CE1-CE1 3.69Å; F249-F263 HydrophobicContact CE1-CE1 3.69Å; F249-F263 HydrophobicContact CE1-CG 4Å; F249-F263 HydrophobicContact CE1-CZ 4.28Å; F249-F263 AromaticContact CZ-CD1 3.75Å; F249-F263 HydrophobicContact CZ-CD1 3.75Å; F249-F263 AromaticContact CZ-CD2 4Å; F249-F263 HydrophobicContact CZ-CD2 4Å; F249-F263 AromaticContact CZ-CE1 3.67Å; F249-F263 HydrophobicContact CZ-CE1 3.67Å; F249-F263 AromaticContact CZ-CE2 3.95Å; F249-F263 HydrophobicContact CZ-CE2 3.95Å; F249-F263 AromaticContact CZ-CG 3.91Å; F249-F263 HydrophobicContact CZ-CG 3.91Å; F249-F263 AromaticContact CZ-CZ 3.78Å; F249-F263 HydrophobicContact CZ-CZ 3.78Å; F258-F263 HydrophobicContact CD1-CB 3.52Å; F258-F263 HydrophobicContact CD2-CB 3.95Å; F258-F263 HydrophobicContact CE1-CB 3.52Å; F258-F263 HydrophobicContact CE2-CB 3.92Å; F258-F263 HydrophobicContact CE2-CG 4.48Å; F258-F263 HydrophobicContact CG-CB 3.75Å; F258-F263 HydrophobicContact CZ-CB 3.72Å; F263-P270 HydrophobicContact CD2-CB 4Å; F263-P270 HydrophobicContact CG-CB 4.48Å; F263-Y271 WeakPolarHBondContact CA-O 3.18Å
264L93.2Very high92.3Very high50 Ų5071.9 Ų71.926%0.26240%0.403SS..EExtended strand (participates in β ladder)trans-116141.3170.5-68.5168.8000109.5Y271 C273 F276 Y277L264-Y271 PolarHBondContact N-O 2.8Å; L264-Y271 PolarHBondContact O-N 3.04Å; L264-C273 HydrophobicContact CD1-CB 4.46Å; L264-F276 HydrophobicContact CB-CB 4.15Å; L264-F276 HydrophobicContact CB-CD1 4.36Å; L264-F276 HydrophobicContact CB-CD2 3.48Å; L264-F276 VanDerWaalsContact CB-CD2 3.48Å; L264-F276 HydrophobicContact CB-CE2 3.88Å; L264-F276 HydrophobicContact CB-CG 3.75Å; L264-F276 HydrophobicContact CB-CZ 4.48Å; L264-F276 HydrophobicContact CD1-CB 3.83Å; L264-F276 HydrophobicContact CD1-CD1 3.51Å; L264-F276 HydrophobicContact CD1-CD2 4.19Å; L264-F276 HydrophobicContact CD1-CE1 4.07Å; L264-F276 HydrophobicContact CD1-CG 3.58Å; L264-F276 HydrophobicContact CG-CD2 4.46Å; L264-F276 HydrophobicContact CG-CG 4.31Å; L264-Y277 HydrophobicContact CD1-CE2 4.31Å
265E94.1Very high92.2Very high108 Ų10870.1 Ų70.151%0.50539%0.391SS..EExtended strand (participates in β ladder)trans-93.4134.2176.7-172.2-171158.500111.1L240 G268 K269 F276L240-E265 HydrophobicContact CD2-CB 3.9Å; L240-E265 VanDerWaalsContact CD2-CD 3.46Å; L240-E265 HydrophobicContact CD2-CG 3.55Å; L240-E265 VanDerWaalsContact CD2-OE2 3.25Å; L240-E265 WeakPolarHBondContact CD2-OE2 3.37Å; E265-G268 WeakPolarHBondContact OE1-CA 3.49Å; E265-G268 PolarHBondContact OE1-N 2.94Å; E265-K269 WeakPolarHBondContact CA-O 3.49Å; E265-F276 WeakPolarHBondContact O-CE2 3.47Å
266K92.7Very high92.2Very high80 Ų8070.2 Ų70.235%0.34838%0.38SS..EExtended strand (participates in β ladder)trans-134124.1161.5-173.961.4-179.3169.10109.7G268 K269 Y271 F276 F280K266-G268 VanDerWaalsContact C-N 3.31Å; K266-G268 PolarHBondContact O-N 3.26Å; K266-K269 PolarHBondContact N-O 3.23Å; K266-K269 WeakPolarHBondContact O-CB 3.39Å; K266-K269 PolarHBondContact O-N 3.04Å; K266-Y271 HydrophobicContact CB-CD2 3.95Å; K266-Y271 HydrophobicContact CB-CE2 3.81Å; K266-F276 HydrophobicContact CB-CD2 4.36Å; K266-F276 HydrophobicContact CB-CE2 3.97Å; K266-F280 HydrophobicContact CB-CD2 4.2Å; K266-F280 HydrophobicContact CB-CE2 3.81Å; K266-F280 HydrophobicContact CB-CZ 4.13Å; K266-F280 HydrophobicContact CG-CD1 4.27Å; K266-F280 HydrophobicContact CG-CD2 4.12Å; K266-F280 HydrophobicContact CG-CE1 4.04Å; K266-F280 HydrophobicContact CG-CE2 3.9Å; K266-F280 HydrophobicContact CG-CG 4.31Å; K266-F280 HydrophobicContact CG-CZ 3.86Å
267D91.6Very high91.9Very high127 Ų12769 Ų6968%0.67937%0.369SS*.THydrogen-bonded Turntrans51.545.5174.7-46.4-32.5000113.2K269D267-K269 VanDerWaalsContact C-N 3.29Å; D267-K269 PolarHBondContact O-N 3.22Å
268G89.8Confident91.6Very high37 Ų3769.3 Ų69.338%0.38137%0.368SS..THydrogen-bonded Turntrans73.112.5-178.700000115.4E265 K266E265-G268 WeakPolarHBondContact OE1-CA 3.49Å; E265-G268 PolarHBondContact OE1-N 2.94Å; K266-G268 VanDerWaalsContact C-N 3.31Å; K266-G268 PolarHBondContact O-N 3.26Å
269K92.4Very high91.4Very high107 Ų10770.8 Ų70.847%0.46538%0.377SS..EExtended strand (participates in β ladder)trans-120.9138.3-179.1-66.8166.3178.2177.60111.3T252 E265 K266 D267 Y271T252-K269 HydrophobicContact CG2-CD 4.28Å; E265-K269 WeakPolarHBondContact CA-O 3.49Å; K266-K269 PolarHBondContact N-O 3.23Å; K266-K269 WeakPolarHBondContact O-CB 3.39Å; K266-K269 PolarHBondContact O-N 3.04Å; D267-K269 VanDerWaalsContact C-N 3.29Å; D267-K269 PolarHBondContact O-N 3.22Å; K269-Y271 HydrophobicContact CB-CD2 4.44Å; K269-Y271 HydrophobicContact CB-CE2 3.65Å; K269-Y271 WeakPolarHBondContact O-CD2 3.46Å
270P95.1Very high91.4Very high7 Ų772.2 Ų72.25%0.04537%0.37CS..EExtended strand (participates in β ladder)trans-86.8138.1178.635.9-34.6000111.2L240 F249 T252 F258 F263L240-P270 HydrophobicContact CD1-CB 4Å; L240-P270 HydrophobicContact CD1-CG 4.05Å; F249-P270 HydrophobicContact CD2-CG 4.29Å; F249-P270 HydrophobicContact CE2-CB 3.84Å; F249-P270 HydrophobicContact CE2-CG 3.79Å; F249-P270 HydrophobicContact CZ-CB 3.86Å; F249-P270 HydrophobicContact CZ-CG 4.32Å; T252-P270 WeakPolarHBondContact CB-O 3.36Å; T252-P270 PolarHBondContact N-O 3.39Å; T252-P270 WeakPolarHBondContact OG1-CD 3.28Å; T252-P270 PolarHBondContact OG1-O 3.31Å; F258-P270 HydrophobicContact CE2-CB 3.92Å; F258-P270 HydrophobicContact CE2-CG 4.34Å; F258-P270 HydrophobicContact CZ-CB 3.66Å; F258-P270 HydrophobicContact CZ-CG 4.22Å; F263-P270 HydrophobicContact CD2-CB 4Å; F263-P270 HydrophobicContact CG-CB 4.48Å
271Y95.5Very high91.5Very high27 Ų2766.4 Ų66.411%0.10633%0.334CS..EExtended strand (participates in β ladder)trans-132.1148.2178-66.6-91000110.1H253 F263 L264 K266 K269 L279 F280H253-Y271 HydrophobicContact CB-CD1 4.14Å; H253-Y271 HydrophobicContact CB-CE1 4.16Å; F263-Y271 WeakPolarHBondContact CA-O 3.18Å; L264-Y271 PolarHBondContact N-O 2.8Å; L264-Y271 PolarHBondContact O-N 3.04Å; K266-Y271 HydrophobicContact CB-CD2 3.95Å; K266-Y271 HydrophobicContact CB-CE2 3.81Å; K269-Y271 HydrophobicContact CB-CD2 4.44Å; K269-Y271 HydrophobicContact CB-CE2 3.65Å; K269-Y271 WeakPolarHBondContact O-CD2 3.46Å; Y271-L279 HydrophobicContact CD1-CD1 4.3Å; Y271-L279 HydrophobicContact CE1-CD1 4.17Å; Y271-F280 HydrophobicContact CD1-CE2 4.02Å; Y271-F280 HydrophobicContact CD1-CZ 4.42Å; Y271-F280 AromaticContact CD2-CE2 3.87Å; Y271-F280 HydrophobicContact CD2-CE2 3.87Å; Y271-F280 HydrophobicContact CD2-CZ 4.4Å; Y271-F280 AromaticContact CE1-CE2 3.99Å; Y271-F280 HydrophobicContact CE1-CE2 3.99Å; Y271-F280 AromaticContact CE1-CZ 3.93Å; Y271-F280 HydrophobicContact CE1-CZ 3.93Å; Y271-F280 AromaticContact CE2-CE2 3.85Å; Y271-F280 HydrophobicContact CE2-CE2 3.85Å; Y271-F280 AromaticContact CE2-CZ 3.92Å; Y271-F280 HydrophobicContact CE2-CZ 3.92Å; Y271-F280 AromaticContact CG-CE2 3.96Å; Y271-F280 HydrophobicContact CG-CE2 3.96Å; Y271-F280 AromaticContact CZ-CE2 3.92Å; Y271-F280 AromaticContact CZ-CZ 3.66Å
272C94.4Very high91.6Very high19 Ų1962.2 Ų62.213%0.12831%0.314CS..  trans-76156171.470.60000109.5C251 F258 R274 D275 F276C251-C272 HydrophobicContact CB-CB 4.06Å; C251-C272 PolarHBondContact SG-N 3.15Å; F258-C272 HydrophobicContact CD1-CB 4.35Å; F258-C272 HydrophobicContact CE1-CB 4.2Å; C272-R274 VanDerWaalsContact C-N 3.28Å; C272-R274 PolarHBondContact O-N 3.34Å; C272-D275 PolarHBondContact O-N 3.27Å; C272-D275 VanDerWaalsContact O-N 3.16Å; C272-D275 PolarHBondContact SG-OD1 3.48Å; C272-F276 WeakPolarHBondContact O-CB 3.46Å; C272-F276 PolarHBondContact O-N 2.79Å
273C90.3Very high91.6Very high41 Ų4167.2 Ų67.228%0.27733%0.328SS..Hα-helixtrans-54.4-43.2-175.4-610000112.7L264 Y277L264-C273 HydrophobicContact CD1-CB 4.46Å; C273-Y277 HydrophobicContact CB-CE2 4.44Å; C273-Y277 WeakPolarHBondContact O-CD2 3.39Å; C273-Y277 PolarHBondContact O-N 3.37Å; C273-Y277 VanDerWaalsContact O-N 3.12Å
274R89.9Confident91.5Very high157 Ų15763.7 Ų63.759%0.59231%0.313SS*.Hα-helixtrans-55.5-55.5176.5179.8-176.266.3-153-6.6112D256 C272 Y277 H278D256-R274 IonicContact OD2-NH2 3.88Å; D256-R274 PolarHBondContact OD2-NH2 2.92Å; D256-R274 VanDerWaalsContact OD2-NH2 3.15Å; C272-R274 VanDerWaalsContact C-N 3.28Å; C272-R274 PolarHBondContact O-N 3.34Å; R274-Y277 PolarHBondContact O-N 3.03Å; R274-H278 WeakPolarHBondContact O-CB 3.39Å; R274-H278 PolarHBondContact O-N 2.8Å
275D92.9Very high91.4Very high10 Ų1064.6 Ų64.65%0.05332%0.323CS..Hα-helixtrans-72.9-35.9-172.8-6714.7000111.1H253 C254 C272 Y277 H278 L279H253-D275 HydrophobicContact CB-CB 4.22Å; H253-D275 WeakPolarHBondContact CB-OD2 3.47Å; H253-D275 IonicContact CE1-OD2 3.49Å; H253-D275 IonicContact CG-OD2 2.75Å; H253-D275 IonicContact ND1-OD2 3.21Å; H253-D275 PolarHBondContact ND1-OD2 3.14Å; C254-D275 WeakPolarHBondContact CB-OD2 3.18Å; C254-D275 PolarHBondContact N-OD2 3Å; C254-D275 VanDerWaalsContact N-OD2 3.17Å; C254-D275 PolarHBondContact SG-OD2 3.17Å; C272-D275 PolarHBondContact O-N 3.27Å; C272-D275 VanDerWaalsContact O-N 3.16Å; C272-D275 PolarHBondContact SG-OD1 3.48Å; D275-Y277 PolarHBondContact O-N 3.47Å; D275-H278 PolarHBondContact O-N 2.82Å; D275-L279 HydrophobicContact CB-CD1 4.47Å; D275-L279 VanDerWaalsContact O-CB 3.26Å; D275-L279 WeakPolarHBondContact O-CB 3.01Å; D275-L279 WeakPolarHBondContact O-CD1 3.44Å; D275-L279 WeakPolarHBondContact O-CG 3.38Å; D275-L279 PolarHBondContact O-N 2.84Å
276F92.8Very high91.2Very high43 Ų4361.9 Ų61.919%0.18932%0.324CS..Hα-helixtrans-57.6-49.9173.7-177.4-82.5000111.3L264 E265 K266 C272 F280L264-F276 HydrophobicContact CB-CB 4.15Å; L264-F276 HydrophobicContact CB-CD1 4.36Å; L264-F276 HydrophobicContact CB-CD2 3.48Å; L264-F276 VanDerWaalsContact CB-CD2 3.48Å; L264-F276 HydrophobicContact CB-CE2 3.88Å; L264-F276 HydrophobicContact CB-CG 3.75Å; L264-F276 HydrophobicContact CB-CZ 4.48Å; L264-F276 HydrophobicContact CD1-CB 3.83Å; L264-F276 HydrophobicContact CD1-CD1 3.51Å; L264-F276 HydrophobicContact CD1-CD2 4.19Å; L264-F276 HydrophobicContact CD1-CE1 4.07Å; L264-F276 HydrophobicContact CD1-CG 3.58Å; L264-F276 HydrophobicContact CG-CD2 4.46Å; L264-F276 HydrophobicContact CG-CG 4.31Å; E265-F276 WeakPolarHBondContact O-CE2 3.47Å; K266-F276 HydrophobicContact CB-CD2 4.36Å; K266-F276 HydrophobicContact CB-CE2 3.97Å; C272-F276 WeakPolarHBondContact O-CB 3.46Å; C272-F276 PolarHBondContact O-N 2.79Å; F276-F280 HydrophobicContact CB-CD2 4.39Å; F276-F280 AromaticContact CD2-CD2 3.68Å; F276-F280 HydrophobicContact CD2-CD2 3.68Å; F276-F280 HydrophobicContact CD2-CE2 4.13Å; F276-F280 HydrophobicContact CE2-CD2 4.07Å; F276-F280 AromaticContact CG-CD2 3.95Å; F276-F280 HydrophobicContact CG-CD2 3.95Å; F276-F280 WeakPolarHBondContact O-CB 3.44Å; F276-F280 WeakPolarHBondContact O-CD2 3.47Å; F276-F280 PolarHBondContact O-N 3.42Å
277Y88.9Confident91.1Very high57 Ų5761.1 Ų61.122%0.22433%0.328CS..Hα-helixtrans-68.4-39.3178.6-69.5-58.4000112.2L264 C273 R274 D275 L279 A281 S290 R292L264-Y277 HydrophobicContact CD1-CE2 4.31Å; C273-Y277 HydrophobicContact CB-CE2 4.44Å; C273-Y277 WeakPolarHBondContact O-CD2 3.39Å; C273-Y277 PolarHBondContact O-N 3.37Å; C273-Y277 VanDerWaalsContact O-N 3.12Å; R274-Y277 PolarHBondContact O-N 3.03Å; D275-Y277 PolarHBondContact O-N 3.47Å; Y277-L279 VanDerWaalsContact C-N 3.34Å; Y277-L279 PolarHBondContact O-N 2.89Å; Y277-A281 HydrophobicContact CD1-CB 4.17Å; Y277-A281 WeakPolarHBondContact O-CB 3.29Å; Y277-A281 PolarHBondContact O-N 2.67Å; Y277-A281 VanDerWaalsContact O-N 3.14Å; Y277-S290 WeakPolarHBondContact O-CB 3.02Å; Y277-R292 HydrophobicContact CD1-CG 3.86Å; Y277-R292 HydrophobicContact CD2-CG 3.79Å; Y277-R292 HydrophobicContact CE1-CG 4.19Å; Y277-R292 HydrophobicContact CE2-CG 4.14Å; Y277-R292 HydrophobicContact CG-CG 3.67Å
278H87.2Confident90.9Very high113 Ų11357 Ų5752%0.52332%0.315SS..Hα-helixtrans-65-35.6178.2-179.5-97.5000113.3R274 D275R274-H278 WeakPolarHBondContact O-CB 3.39Å; R274-H278 PolarHBondContact O-N 2.8Å; D275-H278 PolarHBondContact O-N 2.82Å
279L89.1Confident90.9Very high73 Ų7360.9 Ų60.938%0.38232%0.324SS..Hα-helixtrans-89.1-37.7-176.9-65.3169.9000113.9H253 Y271 D275 Y277H253-L279 HydrophobicContact CB-CD1 3.96Å; Y271-L279 HydrophobicContact CD1-CD1 4.3Å; Y271-L279 HydrophobicContact CE1-CD1 4.17Å; D275-L279 HydrophobicContact CB-CD1 4.47Å; D275-L279 VanDerWaalsContact O-CB 3.26Å; D275-L279 WeakPolarHBondContact O-CB 3.01Å; D275-L279 WeakPolarHBondContact O-CD1 3.44Å; D275-L279 WeakPolarHBondContact O-CG 3.38Å; D275-L279 PolarHBondContact O-N 2.84Å; Y277-L279 VanDerWaalsContact C-N 3.34Å; Y277-L279 PolarHBondContact O-N 2.89Å
280F89.3Confident90.8Very high76 Ų7657.3 Ų57.333%0.33331%0.312SS..Hα-helixtrans-117.9-14-166.6-50.6-57.7000114.9K266 Y271 F276K266-F280 HydrophobicContact CB-CD2 4.2Å; K266-F280 HydrophobicContact CB-CE2 3.81Å; K266-F280 HydrophobicContact CB-CZ 4.13Å; K266-F280 HydrophobicContact CG-CD1 4.27Å; K266-F280 HydrophobicContact CG-CD2 4.12Å; K266-F280 HydrophobicContact CG-CE1 4.04Å; K266-F280 HydrophobicContact CG-CE2 3.9Å; K266-F280 HydrophobicContact CG-CG 4.31Å; K266-F280 HydrophobicContact CG-CZ 3.86Å; Y271-F280 HydrophobicContact CD1-CE2 4.02Å; Y271-F280 HydrophobicContact CD1-CZ 4.42Å; Y271-F280 AromaticContact CD2-CE2 3.87Å; Y271-F280 HydrophobicContact CD2-CE2 3.87Å; Y271-F280 HydrophobicContact CD2-CZ 4.4Å; Y271-F280 AromaticContact CE1-CE2 3.99Å; Y271-F280 HydrophobicContact CE1-CE2 3.99Å; Y271-F280 AromaticContact CE1-CZ 3.93Å; Y271-F280 HydrophobicContact CE1-CZ 3.93Å; Y271-F280 AromaticContact CE2-CE2 3.85Å; Y271-F280 HydrophobicContact CE2-CE2 3.85Å; Y271-F280 AromaticContact CE2-CZ 3.92Å; Y271-F280 HydrophobicContact CE2-CZ 3.92Å; Y271-F280 AromaticContact CG-CE2 3.96Å; Y271-F280 HydrophobicContact CG-CE2 3.96Å; Y271-F280 AromaticContact CZ-CE2 3.92Å; Y271-F280 AromaticContact CZ-CZ 3.66Å; F276-F280 HydrophobicContact CB-CD2 4.39Å; F276-F280 AromaticContact CD2-CD2 3.68Å; F276-F280 HydrophobicContact CD2-CD2 3.68Å; F276-F280 HydrophobicContact CD2-CE2 4.13Å; F276-F280 HydrophobicContact CE2-CD2 4.07Å; F276-F280 AromaticContact CG-CD2 3.95Å; F276-F280 HydrophobicContact CG-CD2 3.95Å; F276-F280 WeakPolarHBondContact O-CB 3.44Å; F276-F280 WeakPolarHBondContact O-CD2 3.47Å; F276-F280 PolarHBondContact O-N 3.42Å
281A89.1Confident90.5Very high16 Ų1657 Ų5713%0.13231%0.31CS..SBendtrans-73.8147.717900000111.6Y277 V291Y277-A281 HydrophobicContact CD1-CB 4.17Å; Y277-A281 WeakPolarHBondContact O-CB 3.29Å; Y277-A281 PolarHBondContact O-N 2.67Å; Y277-A281 VanDerWaalsContact O-N 3.14Å; A281-V291 WeakPolarHBondContact CB-O 3.44Å
282P89Confident89.8Confident51 Ų5163 Ų6333%0.33133%0.333SS..PPolyproline II helixtrans-60.5142.9173.227.6-35.5000110.6V291 Y295 T302P282-V291 PolarHBondContact O-N 3.29Å; P282-Y295 HydrophobicContact CG-CE1 4.49Å; P282-T302 HydrophobicContact CB-CG2 3.93Å; P282-T302 HydrophobicContact CG-CG2 3.86Å
283K91Very high88.9Confident135 Ų13567.5 Ų67.559%0.58735%0.352SS*.BIsolated β-bridgetrans-89.6139.3179-67.2-172.7171.6-162.70111S285 G288 E289K283-S285 PolarHBondContact O-N 3.14Å; K283-G288 WeakPolarHBondContact CD-O 3.25Å; K283-E289 CarbonylContact C-O 3.55Å; K283-E289 WeakPolarHBondContact CA-O 3.37Å
284C92.6Very high88.6Confident3 Ų372.5 Ų72.52%0.0238%0.376CS..BIsolated β-bridgetrans-64.1122.1175.9-178.90000110G286 C287 G288 E289 V291 T302 C307C284-G286 PolarHBondContact O-N 3.38Å; C284-G286 PolarHBondContact SG-N 3.41Å; C284-G286 VanDerWaalsContact SG-N 3.4Å; C284-C287 WeakPolarHBondContact CB-SG 3.47Å; C284-C287 PolarHBondContact O-N 3.4Å; C284-G288 VanDerWaalsContact O-CA 3.29Å; C284-G288 WeakPolarHBondContact O-CA 3.38Å; C284-G288 PolarHBondContact O-N 3.32Å; C284-E289 WeakPolarHBondContact CB-O 3.46Å; C284-E289 PolarHBondContact N-O 2.79Å; C284-V291 HydrophobicContact CB-CG2 3.65Å; C284-T302 CarbonylContact C-O 3.54Å; C284-T302 VanDerWaalsContact CA-O 3.25Å; C284-T302 WeakPolarHBondContact CA-O 3.48Å; C284-C307 WeakPolarHBondContact SG-CB 3.42Å
285S91.2Very high88.5Confident70 Ų7070.1 Ų70.149%0.4937%0.368SS..THydrogen-bonded Turntrans-66.4-15.4177-58.20000113.5K283 G301 T302 W303K283-S285 PolarHBondContact O-N 3.14Å; S285-G301 WeakPolarHBondContact OG-CA 3.45Å; S285-T302 PolarHBondContact N-O 3.18Å; S285-T302 PolarHBondContact OG-O 3.37Å; S285-W303 VanDerWaalsContact CB-CZ2 3.47Å
286G89.4Confident88.3Confident50 Ų5073.1 Ų73.152%0.51538%0.383SS..THydrogen-bonded Turntrans-89-41176.600000114.9C284C284-G286 PolarHBondContact O-N 3.38Å; C284-G286 PolarHBondContact SG-N 3.41Å; C284-G286 VanDerWaalsContact SG-N 3.4Å
287C90.9Very high88.2Confident64 Ų6476.2 Ų76.243%0.43241%0.406SS..THydrogen-bonded Turntrans-119.9-9.2-175.6650000115.4C284 E289 H304C284-C287 WeakPolarHBondContact CB-SG 3.47Å; C284-C287 PolarHBondContact O-N 3.4Å; C287-E289 PolarHBondContact O-N 3.17Å; C287-H304 PolarHBondContact SG-ND1 2.92Å; C287-H304 VanDerWaalsContact SG-ND1 3.41Å
288G88.4Confident88.2Confident40 Ų4074.4 Ų74.441%0.41240%0.403SS..  trans81.6-14.1-179.100000115.7K283 C284K283-G288 WeakPolarHBondContact CD-O 3.25Å; C284-G288 VanDerWaalsContact O-CA 3.29Å; C284-G288 WeakPolarHBondContact O-CA 3.38Å; C284-G288 PolarHBondContact O-N 3.32Å
289E89Confident88.1Confident119 Ų11969.3 Ų69.356%0.55638%0.38SS*.PPolyproline II helixtrans-74.5152.5-178.8-65.2-57.4151.900113.5K283 C284 C287K283-E289 CarbonylContact C-O 3.55Å; K283-E289 WeakPolarHBondContact CA-O 3.37Å; C284-E289 WeakPolarHBondContact CB-O 3.46Å; C284-E289 PolarHBondContact N-O 2.79Å; C287-E289 PolarHBondContact O-N 3.17Å
290S90.7Very high87.9Confident32 Ų3273.3 Ų73.322%0.22440%0.402CS..BIsolated β-bridgetrans-65.6129.4176.8510000111.9Y277Y277-S290 WeakPolarHBondContact O-CB 3.02Å
291V88.8Confident88Confident2 Ų270.3 Ų70.31%0.01239%0.392CS..PPolyproline II helixtrans-99.5122.9-179.3-162.50000111.1A281 P282 C284 Y295 T302 H304A281-V291 WeakPolarHBondContact CB-O 3.44Å; P282-V291 PolarHBondContact O-N 3.29Å; C284-V291 HydrophobicContact CB-CG2 3.65Å; V291-Y295 VanDerWaalsContact CG1-CB 3.43Å; V291-Y295 HydrophobicContact CG1-CD1 4.4Å; V291-Y295 HydrophobicContact CG1-CG 4.29Å; V291-T302 HydrophobicContact CB-CG2 4.26Å; V291-T302 HydrophobicContact CG2-CG2 4.1Å; V291-H304 VanDerWaalsContact CG1-CD2 3.49Å; V291-H304 WeakPolarHBondContact CG1-CD2 3.49Å
292R79.8Confident88.2Confident153 Ų15370.6 Ų70.658%0.57739%0.393SS*.  trans-78.2-79-179.3-80.9178.151.1-172.3-7.6113.3Y277Y277-R292 HydrophobicContact CD1-CG 3.86Å; Y277-R292 HydrophobicContact CD2-CG 3.79Å; Y277-R292 HydrophobicContact CE1-CG 4.19Å; Y277-R292 HydrophobicContact CE2-CG 4.14Å; Y277-R292 HydrophobicContact CG-CG 3.67Å
293E77.4Confident88.3Confident112 Ų11269 Ų6952%0.52338%0.38SS..SBendtrans-135.3158.2-165.5-68.6158.3-116.500108.7Y295E293-Y295 PolarHBondContact O-N 2.82Å
294N83.2Confident88.4Confident147 Ų14765 Ų6579%0.78636%0.363SS*.SBendtrans53.646.8-178.7-61.3-21.8000114.2P305N294-P305 WeakPolarHBondContact O-CD 3.18Å; N294-P305 WeakPolarHBondContact O-CG 3.41Å
295Y87.9Confident88.3Confident106 Ų10668.5 Ų68.542%0.41639%0.386SS..  trans-92.9155.8177.863.8-102.8000113.4P282 V291 E293 T297 T302P282-Y295 HydrophobicContact CG-CE1 4.49Å; V291-Y295 VanDerWaalsContact CG1-CB 3.43Å; V291-Y295 HydrophobicContact CG1-CD1 4.4Å; V291-Y295 HydrophobicContact CG1-CG 4.29Å; E293-Y295 PolarHBondContact O-N 2.82Å; Y295-T297 WeakPolarHBondContact CE2-OG1 3.39Å; Y295-T302 HydrophobicContact CD2-CG2 3.49Å; Y295-T302 VanDerWaalsContact CD2-CG2 3.49Å; Y295-T302 HydrophobicContact CE2-CG2 4.03Å; Y295-T302 HydrophobicContact CG-CG2 3.8Å
296L89.1Confident88.3Confident73 Ų7373.7 Ų73.738%0.38240%0.402SS..EExtended strand (participates in β ladder)trans-97.2132.3173.9-59.2179.7000109.8T302 W303 P305 F308L296-T302 CarbonylContact O-C 3.52Å; L296-T302 WeakPolarHBondContact O-CA 3.46Å; L296-W303 HydrophobicContact CB-CB 4.44Å; L296-W303 PolarHBondContact N-O 3.2Å; L296-W303 PolarHBondContact O-N 3.48Å; L296-P305 HydrophobicContact CD1-CB 4.47Å; L296-P305 HydrophobicContact CG-CG 4.49Å; L296-F308 HydrophobicContact CD1-CB 3.78Å; L296-F308 HydrophobicContact CD1-CD1 4.07Å; L296-F308 HydrophobicContact CD1-CG 4.04Å
297T90.7Very high88.5Confident108 Ų10872.8 Ų72.866%0.66339%0.388SS*.EExtended strand (participates in β ladder)trans-106.2108.3169.6-55.50000108.3Y295 G301Y295-T297 WeakPolarHBondContact CE2-OG1 3.39Å; T297-G301 WeakPolarHBondContact CA-O 3.48Å
298A88.4Confident88.6Confident19 Ų1970.7 Ų70.716%0.15737%0.371CS..EExtended strand (participates in β ladder)trans-160.5159.5-174.100000110.1N300 G301 W303 F308 F322A298-N300 PolarHBondContact O-N 2.97Å; A298-G301 PolarHBondContact N-O 2.94Å; A298-G301 CarbonylContact O-C 3.55Å; A298-G301 PolarHBondContact O-N 3.13Å; A298-W303 PolarHBondContact O-NE1 2.88Å; A298-F308 HydrophobicContact CB-CD2 4.38Å; A298-F308 HydrophobicContact CB-CE1 4.49Å; A298-F308 HydrophobicContact CB-CE2 3.55Å; A298-F308 HydrophobicContact CB-CZ 3.62Å; A298-F322 HydrophobicContact CB-CE1 4.43Å; A298-F322 HydrophobicContact CB-CE2 4.41Å; A298-F322 HydrophobicContact CB-CZ 3.86Å
299A85.8Confident88.8Confident6 Ų670 Ų705%0.0536%0.359CS..THydrogen-bonded Turntrans49.643.6-179.500000113.6G301 W303 E324 P329A299-G301 PolarHBondContact O-N 2.8Å; A299-W303 HydrophobicContact CB-CZ2 4.35Å; A299-E324 WeakPolarHBondContact CA-OE2 3.37Å; A299-E324 HydrophobicContact CB-CG 3.98Å; A299-P329 HydrophobicContact CB-CB 4.35Å
300N84.9Confident89Confident158 Ų15864.4 Ų64.485%0.84533%0.333SS*.THydrogen-bonded Turntrans5123.4-173.8-67.710.3000115.9A298A298-N300 PolarHBondContact O-N 2.97Å
301G90Very high89Confident12 Ų1264.8 Ų64.812%0.12434%0.338CS..EExtended strand (participates in β ladder)trans-136.3169.6-178.800000113.5S285 T297 A298 A299S285-G301 WeakPolarHBondContact OG-CA 3.45Å; T297-G301 WeakPolarHBondContact CA-O 3.48Å; A298-G301 PolarHBondContact N-O 2.94Å; A298-G301 CarbonylContact O-C 3.55Å; A298-G301 PolarHBondContact O-N 3.13Å; A299-G301 PolarHBondContact O-N 2.8Å
302T93Very high89.2Confident23 Ų2367.6 Ų67.614%0.14135%0.353CS..EExtended strand (participates in β ladder)trans-102.7141.4169.8-60.40000108.8P282 C284 S285 V291 Y295 L296P282-T302 HydrophobicContact CB-CG2 3.93Å; P282-T302 HydrophobicContact CG-CG2 3.86Å; C284-T302 CarbonylContact C-O 3.54Å; C284-T302 VanDerWaalsContact CA-O 3.25Å; C284-T302 WeakPolarHBondContact CA-O 3.48Å; S285-T302 PolarHBondContact N-O 3.18Å; S285-T302 PolarHBondContact OG-O 3.37Å; V291-T302 HydrophobicContact CB-CG2 4.26Å; V291-T302 HydrophobicContact CG2-CG2 4.1Å; Y295-T302 HydrophobicContact CD2-CG2 3.49Å; Y295-T302 VanDerWaalsContact CD2-CG2 3.49Å; Y295-T302 HydrophobicContact CE2-CG2 4.03Å; Y295-T302 HydrophobicContact CG-CG2 3.8Å; L296-T302 CarbonylContact O-C 3.52Å; L296-T302 WeakPolarHBondContact O-CA 3.46Å
303W92.6Very high89.8Confident17 Ų1762.4 Ų62.46%0.06434%0.34CS..EExtended strand (participates in β ladder)trans-141.5144-174.2-51.379.2000111.2S285 L296 A298 A299 F308 P329S285-W303 VanDerWaalsContact CB-CZ2 3.47Å; L296-W303 HydrophobicContact CB-CB 4.44Å; L296-W303 PolarHBondContact N-O 3.2Å; L296-W303 PolarHBondContact O-N 3.48Å; A298-W303 PolarHBondContact O-NE1 2.88Å; A299-W303 HydrophobicContact CB-CZ2 4.35Å; W303-F308 HydrophobicContact CB-CB 4.1Å; W303-F308 HydrophobicContact CB-CD2 4.17Å; W303-F308 AromaticContact CD1-CD2 3.82Å; W303-F308 AromaticContact CD2-CD2 3.75Å; W303-F308 HydrophobicContact CD2-CD2 3.75Å; W303-F308 HydrophobicContact CD2-CE2 4.46Å; W303-F308 HydrophobicContact CE3-CD2 4.28Å; W303-F308 HydrophobicContact CG-CB 4.46Å; W303-F308 AromaticContact CG-CD2 3.67Å; W303-F308 HydrophobicContact CG-CD2 3.67Å; W303-F308 HydrophobicContact CG-CE2 4.47Å; W303-P329 HydrophobicContact CH2-CG 3.91Å; W303-P329 HydrophobicContact CZ2-CG 4.06Å; W303-P329 HydrophobicContact CZ3-CG 4.33Å
304H92.4Very high90.4Very high51 Ų5163.2 Ų63.224%0.23635%0.347CS..  trans-62.6145.1156.6-61.1113.7000109.2C287 V291 E306 C307 F308C287-H304 PolarHBondContact SG-ND1 2.92Å; C287-H304 VanDerWaalsContact SG-ND1 3.41Å; V291-H304 VanDerWaalsContact CG1-CD2 3.49Å; V291-H304 WeakPolarHBondContact CG1-CD2 3.49Å; H304-E306 PolarHBondContact O-N 3.16Å; H304-C307 HydrophobicContact CB-CB 3.97Å; H304-C307 PolarHBondContact O-N 3.31Å; H304-F308 PolarHBondContact O-N 3.34Å; H304-F308 VanDerWaalsContact O-N 3.13Å
305P90.8Very high90.8Very high76 Ų7663 Ų6349%0.49434%0.339SS..G310 helixtrans-52.4-38.7175.1-28.335.9000113.3N294 L296N294-P305 WeakPolarHBondContact O-CD 3.18Å; N294-P305 WeakPolarHBondContact O-CG 3.41Å; L296-P305 HydrophobicContact CD1-CB 4.47Å; L296-P305 HydrophobicContact CG-CG 4.49Å
306E90.9Very high91Very high179 Ų17962.5 Ų62.584%0.83635%0.349SS*.G310 helixtrans-74.5-25.1177.7-63.5171.8-156.300113.5H304H304-E306 PolarHBondContact O-N 3.16Å
307C92.6Very high91Very high32 Ų3260.2 Ų60.222%0.21634%0.336CS..G310 helixtrans-86.2-12.3177.4-65.20000113.2C284 H304 V309C284-C307 WeakPolarHBondContact SG-CB 3.42Å; H304-C307 HydrophobicContact CB-CB 3.97Å; H304-C307 PolarHBondContact O-N 3.31Å; C307-V309 VanDerWaalsContact C-N 3.27Å; C307-V309 PolarHBondContact O-N 3.19Å
308F93.2Very high90.4Very high19 Ų1960.7 Ų60.78%0.08334%0.343CS..  trans-81.675.3178.8-166.7-108.6000111L296 A298 W303 H304 F317 F322 P329L296-F308 HydrophobicContact CD1-CB 3.78Å; L296-F308 HydrophobicContact CD1-CD1 4.07Å; L296-F308 HydrophobicContact CD1-CG 4.04Å; A298-F308 HydrophobicContact CB-CD2 4.38Å; A298-F308 HydrophobicContact CB-CE1 4.49Å; A298-F308 HydrophobicContact CB-CE2 3.55Å; A298-F308 HydrophobicContact CB-CZ 3.62Å; W303-F308 HydrophobicContact CB-CB 4.1Å; W303-F308 HydrophobicContact CB-CD2 4.17Å; W303-F308 AromaticContact CD1-CD2 3.82Å; W303-F308 AromaticContact CD2-CD2 3.75Å; W303-F308 HydrophobicContact CD2-CD2 3.75Å; W303-F308 HydrophobicContact CD2-CE2 4.46Å; W303-F308 HydrophobicContact CE3-CD2 4.28Å; W303-F308 HydrophobicContact CG-CB 4.46Å; W303-F308 AromaticContact CG-CD2 3.67Å; W303-F308 HydrophobicContact CG-CD2 3.67Å; W303-F308 HydrophobicContact CG-CE2 4.47Å; H304-F308 PolarHBondContact O-N 3.34Å; H304-F308 VanDerWaalsContact O-N 3.13Å; F308-F317 AromaticContact CD1-CD2 3.61Å; F308-F317 HydrophobicContact CD1-CD2 3.61Å; F308-F317 AromaticContact CD1-CE2 3.71Å; F308-F317 HydrophobicContact CD1-CE2 3.71Å; F308-F317 AromaticContact CE1-CD2 3.56Å; F308-F317 HydrophobicContact CE1-CD2 3.56Å; F308-F317 AromaticContact CE1-CE2 3.61Å; F308-F317 HydrophobicContact CE1-CE2 3.61Å; F308-F317 HydrophobicContact CG-CE2 4.29Å; F308-F317 HydrophobicContact CZ-CD2 4.46Å; F308-F317 HydrophobicContact CZ-CE2 4.11Å; F308-F317 WeakPolarHBondContact O-CD2 3.45Å; F308-F317 WeakPolarHBondContact O-CE2 3.44Å; F308-F322 HydrophobicContact CE1-CB 4.45Å; F308-F322 AromaticContact CE1-CD1 3.7Å; F308-F322 HydrophobicContact CE1-CD1 3.7Å; F308-F322 HydrophobicContact CE1-CE1 4.03Å; F308-F322 AromaticContact CE1-CG 3.99Å; F308-F322 HydrophobicContact CE1-CG 3.99Å; F308-F322 HydrophobicContact CZ-CB 4.43Å; F308-F322 AromaticContact CZ-CD1 3.71Å; F308-F322 HydrophobicContact CZ-CD1 3.71Å; F308-F322 AromaticContact CZ-CD2 3.82Å; F308-F322 HydrophobicContact CZ-CD2 3.82Å; F308-F322 AromaticContact CZ-CE1 3.81Å; F308-F322 HydrophobicContact CZ-CE1 3.81Å; F308-F322 AromaticContact CZ-CE2 3.93Å; F308-F322 HydrophobicContact CZ-CE2 3.93Å; F308-F322 AromaticContact CZ-CG 3.71Å; F308-F322 HydrophobicContact CZ-CG 3.71Å; F308-F322 AromaticContact CZ-CZ 3.93Å; F308-F322 HydrophobicContact CZ-CZ 3.93Å; F308-P329 HydrophobicContact CD2-CB 4.37Å; F308-P329 HydrophobicContact CD2-CG 4.09Å; F308-P329 HydrophobicContact CE2-CB 3.6Å; F308-P329 HydrophobicContact CE2-CG 3.73Å; F308-P329 HydrophobicContact CZ-CB 3.78Å; F308-P329 HydrophobicContact CZ-CG 4.38Å
309V93.1Very high89.9Confident27 Ų2766.7 Ų66.716%0.16437%0.373CS..BIsolated β-bridgetrans-122.2160.7-177.5-62.20000111.5C307 A311 L314 P316C307-V309 VanDerWaalsContact C-N 3.27Å; C307-V309 PolarHBondContact O-N 3.19Å; V309-A311 PolarHBondContact O-N 3.27Å; V309-L314 HydrophobicContact CG2-CB 4.38Å; V309-L314 HydrophobicContact CG2-CD2 4.26Å; V309-P316 HydrophobicContact CG1-CG 4.14Å
310C93.5Very high89.4Confident0 Ų069 Ų690%040%0.397CS..  trans-62.3122.1176.5172.20000111.5D312 C313 L314 K315 F317 P329 C331 H334C310-D312 PolarHBondContact O-N 2.96Å; C310-C313 PolarHBondContact O-N 3.22Å; C310-C313 VanDerWaalsContact SG-SG 3.62Å; C310-L314 WeakPolarHBondContact O-CA 3.37Å; C310-L314 PolarHBondContact O-N 3.4Å; C310-K315 PolarHBondContact N-O 3.39Å; C310-F317 HydrophobicContact CB-CE1 3.98Å; C310-F317 HydrophobicContact CB-CZ 4.05Å; C310-P329 WeakPolarHBondContact CA-O 3.28Å; C310-C331 HydrophobicContact CB-CB 4.02Å; C310-C331 PolarHBondContact SG-N 3.26Å; C310-H334 PolarHBondContact SG-ND1 2.97Å
311A91.6Very high89.3Confident41 Ų4165.4 Ų65.434%0.33938%0.384SS..THydrogen-bonded Turntrans-56.2-24.6-176.200000115.2V309 R328 P329 L330V309-A311 PolarHBondContact O-N 3.27Å; A311-R328 HydrophobicContact CB-CB 4.22Å; A311-P329 PolarHBondContact N-O 3.47Å; A311-L330 HydrophobicContact CB-CD2 4.05Å
312D91.3Very high89.4Confident60 Ų6068.3 Ų68.332%0.32139%0.393SS..THydrogen-bonded Turntrans-93.5-23-178-73.5-4.1000114.9C310 L330 H334 R338C310-D312 PolarHBondContact O-N 2.96Å; D312-L330 HydrophobicContact CB-CD2 4.27Å; D312-H334 HydrophobicContact CB-CB 3.98Å; D312-H334 WeakPolarHBondContact OD2-CB 3.38Å; D312-H334 IonicContact OD2-CD2 3.9Å; D312-H334 IonicContact OD2-CG 3.79Å; D312-R338 IonicContact OD1-CZ 3.62Å; D312-R338 IonicContact OD1-NE 2.79Å; D312-R338 PolarHBondContact OD1-NE 3.22Å; D312-R338 IonicContact OD1-NH2 3.59Å; D312-R338 PolarHBondContact OD1-NH2 3.2Å; D312-R338 IonicContact OD2-CZ 2.67Å; D312-R338 IonicContact OD2-NE 3.42Å; D312-R338 PolarHBondContact OD2-NE 2.96Å; D312-R338 IonicContact OD2-NH2 3.15Å
313C92.8Very high89.2Confident44 Ų4470.7 Ų70.730%0.29740%0.403SS..THydrogen-bonded Turntrans-133.2-0.4-176.7670000115.1C310 K315 H334C310-C313 PolarHBondContact O-N 3.22Å; C310-C313 VanDerWaalsContact SG-SG 3.62Å; C313-K315 PolarHBondContact O-N 3.33Å; C313-H334 VanDerWaalsContact CB-CE1 3.49Å; C313-H334 WeakPolarHBondContact CB-CE1 3.48Å; C313-H334 VanDerWaalsContact SG-CE1 3.59Å
314L91.5Very high89.2Confident129 Ų12973.6 Ų73.668%0.67542%0.418SS*.  trans5621.5177-49.5178.9000114.3V309 C310V309-L314 HydrophobicContact CG2-CB 4.38Å; V309-L314 HydrophobicContact CG2-CD2 4.26Å; C310-L314 WeakPolarHBondContact O-CA 3.37Å; C310-L314 PolarHBondContact O-N 3.4Å
315K91.6Very high89Confident143 Ų14373.5 Ų73.562%0.62242%0.419SS*.  trans-92.1140.9175.4-64.2-172.9-179.3-175.60111C310 C313C310-K315 PolarHBondContact N-O 3.39Å; C313-K315 PolarHBondContact O-N 3.33Å
316P90.9Very high88.8Confident95 Ų9576.5 Ų76.562%0.61743%0.43SS*.BIsolated β-bridgetrans-58.5158.9168.4-23.834.1000112.9V309 S318V309-P316 HydrophobicContact CG1-CG 4.14Å; P316-S318 PolarHBondContact O-N 3.04Å
317F90Very high88.4Confident26 Ų2669.5 Ų69.511%0.11441%0.406CS..  trans-83.694.2178.8-59-76.1000111F308 C310 D319 G320 C321 F322 P329 C331F308-F317 AromaticContact CD1-CD2 3.61Å; F308-F317 HydrophobicContact CD1-CD2 3.61Å; F308-F317 AromaticContact CD1-CE2 3.71Å; F308-F317 HydrophobicContact CD1-CE2 3.71Å; F308-F317 AromaticContact CE1-CD2 3.56Å; F308-F317 HydrophobicContact CE1-CD2 3.56Å; F308-F317 AromaticContact CE1-CE2 3.61Å; F308-F317 HydrophobicContact CE1-CE2 3.61Å; F308-F317 HydrophobicContact CG-CE2 4.29Å; F308-F317 HydrophobicContact CZ-CD2 4.46Å; F308-F317 HydrophobicContact CZ-CE2 4.11Å; F308-F317 WeakPolarHBondContact O-CD2 3.45Å; F308-F317 WeakPolarHBondContact O-CE2 3.44Å; C310-F317 HydrophobicContact CB-CE1 3.98Å; C310-F317 HydrophobicContact CB-CZ 4.05Å; F317-D319 VanDerWaalsContact C-N 3.25Å; F317-D319 PolarHBondContact O-N 3.49Å; F317-D319 VanDerWaalsContact O-N 3.16Å; F317-G320 PolarHBondContact O-N 3.47Å; F317-C321 WeakPolarHBondContact CD1-O 3.3Å; F317-F322 HydrophobicContact CD1-CB 3.59Å; F317-F322 HydrophobicContact CD2-CB 4.18Å; F317-F322 HydrophobicContact CE1-CB 3.53Å; F317-F322 HydrophobicContact CE2-CB 4.12Å; F317-F322 HydrophobicContact CG-CB 3.92Å; F317-F322 HydrophobicContact CZ-CB 3.82Å; F317-P329 HydrophobicContact CE2-CB 4.03Å; F317-P329 HydrophobicContact CZ-CB 3.74Å; F317-P329 HydrophobicContact CZ-CG 4.43Å; F317-C331 HydrophobicContact CD1-CB 4.4Å; F317-C331 HydrophobicContact CE1-CB 4.18Å
318S78.3Confident88.2Confident117 Ų11775.2 Ų75.282%0.81842%0.423SS*.THydrogen-bonded Turntrans-52.4-38.6-173.7-46.10000114.6P316P316-S318 PolarHBondContact O-N 3.04Å
319D76.5Confident88.2Confident145 Ų14574.4 Ų74.478%0.77542%0.42SS*.THydrogen-bonded Turntrans-102.512.1-175.2-51.4-47.2000112.4F317 C321F317-D319 VanDerWaalsContact C-N 3.25Å; F317-D319 PolarHBondContact O-N 3.49Å; F317-D319 VanDerWaalsContact O-N 3.16Å; D319-C321 HydrophobicContact CB-CB 4.48Å; D319-C321 PolarHBondContact O-N 3.23Å
320G76.4Confident88.2Confident54 Ų5473.2 Ų73.256%0.55741%0.413SS*.SBendtrans66-10.4-168.600000114.8F317F317-G320 PolarHBondContact O-N 3.47Å
321C83.1Confident88.1Confident83 Ų8374.6 Ų74.656%0.56142%0.422SS*.  trans-79.2121.2179.4-63.20000111.2F317 D319F317-C321 WeakPolarHBondContact CD1-O 3.3Å; D319-C321 HydrophobicContact CB-CB 4.48Å; D319-C321 PolarHBondContact O-N 3.23Å
322F90.9Very high88Confident73 Ų7375.4 Ų75.432%0.3242%0.423SS..  trans-129.8158.7169.768.8-84.5000109.6A298 F308 F317 P329A298-F322 HydrophobicContact CB-CE1 4.43Å; A298-F322 HydrophobicContact CB-CE2 4.41Å; A298-F322 HydrophobicContact CB-CZ 3.86Å; F308-F322 HydrophobicContact CE1-CB 4.45Å; F308-F322 AromaticContact CE1-CD1 3.7Å; F308-F322 HydrophobicContact CE1-CD1 3.7Å; F308-F322 HydrophobicContact CE1-CE1 4.03Å; F308-F322 AromaticContact CE1-CG 3.99Å; F308-F322 HydrophobicContact CE1-CG 3.99Å; F308-F322 HydrophobicContact CZ-CB 4.43Å; F308-F322 AromaticContact CZ-CD1 3.71Å; F308-F322 HydrophobicContact CZ-CD1 3.71Å; F308-F322 AromaticContact CZ-CD2 3.82Å; F308-F322 HydrophobicContact CZ-CD2 3.82Å; F308-F322 AromaticContact CZ-CE1 3.81Å; F308-F322 HydrophobicContact CZ-CE1 3.81Å; F308-F322 AromaticContact CZ-CE2 3.93Å; F308-F322 HydrophobicContact CZ-CE2 3.93Å; F308-F322 AromaticContact CZ-CG 3.71Å; F308-F322 HydrophobicContact CZ-CG 3.71Å; F308-F322 AromaticContact CZ-CZ 3.93Å; F308-F322 HydrophobicContact CZ-CZ 3.93Å; F317-F322 HydrophobicContact CD1-CB 3.59Å; F317-F322 HydrophobicContact CD2-CB 4.18Å; F317-F322 HydrophobicContact CE1-CB 3.53Å; F317-F322 HydrophobicContact CE2-CB 4.12Å; F317-F322 HydrophobicContact CG-CB 3.92Å; F317-F322 HydrophobicContact CZ-CB 3.82Å; F322-P329 HydrophobicContact CD2-CB 4.23Å
323M89.9Confident88Confident73 Ų7376.7 Ų76.736%0.3643%0.429SS..EExtended strand (participates in β ladder)trans-118.3139.1170.5-57.9-62.3-72.600108.3L330 F335M323-L330 PolarHBondContact N-O 2.93Å; M323-L330 PolarHBondContact O-N 3Å; M323-F335 HydrophobicContact CB-CB 3.77Å; M323-F335 HydrophobicContact CB-CD1 3.68Å; M323-F335 HydrophobicContact CB-CD2 3.52Å; M323-F335 HydrophobicContact CB-CE1 4.04Å; M323-F335 HydrophobicContact CB-CE2 3.91Å; M323-F335 HydrophobicContact CB-CG 3.38Å; M323-F335 HydrophobicContact CB-CZ 4.14Å; M323-F335 HydrophobicContact CE-CD1 3.87Å; M323-F335 HydrophobicContact CE-CE1 3.3Å; M323-F335 HydrophobicContact CE-CZ 3.75Å; M323-F335 HydrophobicContact CG-CB 4.11Å; M323-F335 HydrophobicContact CG-CD1 3.65Å; M323-F335 HydrophobicContact CG-CD2 4.42Å; M323-F335 HydrophobicContact CG-CE1 4.07Å; M323-F335 HydrophobicContact CG-CG 3.83Å
324E90.9Very high87.9Confident78 Ų7877.1 Ų77.136%0.36443%0.427SS..EExtended strand (participates in β ladder)trans-93.8137176.5-174.4-178.2166.100110.9A299 G327 F335A299-E324 WeakPolarHBondContact CA-OE2 3.37Å; A299-E324 HydrophobicContact CB-CG 3.98Å; E324-G327 WeakPolarHBondContact OE1-CA 3.39Å; E324-F335 WeakPolarHBondContact O-CE2 3.49Å
325L89.3Confident88Confident49 Ų4972 Ų7226%0.25740%0.399SS..EExtended strand (participates in β ladder)trans-141.2125.3166.6-168.669.3000108.5G327 R328 L330 F335 R338L325-G327 VanDerWaalsContact C-N 3.29Å; L325-G327 PolarHBondContact O-N 2.97Å; L325-R328 PolarHBondContact N-O 2.93Å; L325-R328 WeakPolarHBondContact O-CB 3.22Å; L325-R328 PolarHBondContact O-N 3.2Å; L325-L330 HydrophobicContact CB-CD1 3.7Å; L325-L330 HydrophobicContact CD2-CD1 4.04Å; L325-F335 HydrophobicContact CB-CD2 4.2Å; L325-F335 HydrophobicContact CB-CE2 4.22Å; L325-F335 HydrophobicContact CD1-CE2 4.27Å; L325-R338 HydrophobicContact CD2-CB 4.26Å
326D85.5Confident87.9Confident139 Ų13966.6 Ų66.674%0.74338%0.376SS*.THydrogen-bonded Turntrans5240.9-179.6-50-43.1000114.2R328D326-R328 PolarHBondContact O-N 3.49Å
327G83.6Confident87.8Confident32 Ų3265.1 Ų65.133%0.3337%0.368SS..THydrogen-bonded Turntrans71.113.2-176.500000114.6E324 L325E324-G327 WeakPolarHBondContact OE1-CA 3.39Å; L325-G327 VanDerWaalsContact C-N 3.29Å; L325-G327 PolarHBondContact O-N 2.97Å
328R88.9Confident87.8Confident152 Ų15270.1 Ų70.157%0.57439%0.386SS*.EExtended strand (participates in β ladder)trans-114.9130.6-179.4-56.9-176-175.6-154.2-0.7111.1A311 L325 D326A311-R328 HydrophobicContact CB-CB 4.22Å; L325-R328 PolarHBondContact N-O 2.93Å; L325-R328 WeakPolarHBondContact O-CB 3.22Å; L325-R328 PolarHBondContact O-N 3.2Å; D326-R328 PolarHBondContact O-N 3.49Å
329P93.2Very high88.2Confident2 Ų269.2 Ų69.21%0.01337%0.369CS..EExtended strand (participates in β ladder)trans-77.4129.1175.833.4-35.5000110.3A299 W303 F308 C310 A311 F317 F322A299-P329 HydrophobicContact CB-CB 4.35Å; W303-P329 HydrophobicContact CH2-CG 3.91Å; W303-P329 HydrophobicContact CZ2-CG 4.06Å; W303-P329 HydrophobicContact CZ3-CG 4.33Å; F308-P329 HydrophobicContact CD2-CB 4.37Å; F308-P329 HydrophobicContact CD2-CG 4.09Å; F308-P329 HydrophobicContact CE2-CB 3.6Å; F308-P329 HydrophobicContact CE2-CG 3.73Å; F308-P329 HydrophobicContact CZ-CB 3.78Å; F308-P329 HydrophobicContact CZ-CG 4.38Å; C310-P329 WeakPolarHBondContact CA-O 3.28Å; A311-P329 PolarHBondContact N-O 3.47Å; F317-P329 HydrophobicContact CE2-CB 4.03Å; F317-P329 HydrophobicContact CZ-CB 3.74Å; F317-P329 HydrophobicContact CZ-CG 4.43Å; F322-P329 HydrophobicContact CD2-CB 4.23Å
330L92.3Very high88.7Confident2 Ų264.3 Ų64.31%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-126.5144.1-179.3-69.9170.7000110.1A311 D312 M323 L325 H334 F335A311-L330 HydrophobicContact CB-CD2 4.05Å; D312-L330 HydrophobicContact CB-CD2 4.27Å; M323-L330 PolarHBondContact N-O 2.93Å; M323-L330 PolarHBondContact O-N 3Å; L325-L330 HydrophobicContact CB-CD1 3.7Å; L325-L330 HydrophobicContact CD2-CD1 4.04Å; L330-H334 HydrophobicContact CD2-CB 4.23Å; L330-F335 HydrophobicContact CB-CB 4.11Å; L330-F335 HydrophobicContact CD1-CB 4.47Å; L330-F335 HydrophobicContact CD1-CD2 4.33Å
331C92.2Very high89.3Confident30 Ų3063 Ų6320%0.20333%0.334CS..  trans-74.3156.4170.9770000109.6C310 F317 I333 H334 F335C310-C331 HydrophobicContact CB-CB 4.02Å; C310-C331 PolarHBondContact SG-N 3.26Å; F317-C331 HydrophobicContact CD1-CB 4.4Å; F317-C331 HydrophobicContact CE1-CB 4.18Å; C331-I333 PolarHBondContact O-N 2.77Å; C331-H334 PolarHBondContact O-N 3.17Å; C331-H334 PolarHBondContact SG-ND1 2.88Å; C331-F335 PolarHBondContact O-N 3.25Å
332T89.8Confident89.8Confident58 Ų5861 Ų6136%0.35632%0.317SS..Hα-helixtrans-49.5-40.5-175.3-41.80000112.7H336 P349T332-H336 WeakPolarHBondContact O-CB 3.35Å; T332-H336 PolarHBondContact O-CD2 2.98Å; T332-H336 PolarHBondContact O-N 3.49Å; T332-H336 VanDerWaalsContact O-N 3.11Å; T332-P349 HydrophobicContact CG2-CG 4.09Å
333I89.8Confident89.8Confident87 Ų8757.6 Ų57.645%0.44630%0.303SS..Hα-helixtrans-64.7-48.7178.4-55.1-56.9000111.9C331 H336 S337 L342 P349C331-I333 PolarHBondContact O-N 2.77Å; I333-H336 PolarHBondContact O-N 3.11Å; I333-S337 VanDerWaalsContact O-CB 3.28Å; I333-S337 WeakPolarHBondContact O-CB 3.29Å; I333-S337 PolarHBondContact O-N 2.99Å; I333-L342 HydrophobicContact CG2-CD1 4.45Å; I333-P349 HydrophobicContact CD1-CG 3.99Å
334H92.1Very high89.6Confident53 Ų5354.9 Ų54.925%0.24529%0.293CS..Hα-helixtrans-70.4-37.4-178-71.8115.9000112.8C310 D312 C313 L330 C331 S337 R338C310-H334 PolarHBondContact SG-ND1 2.97Å; D312-H334 HydrophobicContact CB-CB 3.98Å; D312-H334 WeakPolarHBondContact OD2-CB 3.38Å; D312-H334 IonicContact OD2-CD2 3.9Å; D312-H334 IonicContact OD2-CG 3.79Å; C313-H334 VanDerWaalsContact CB-CE1 3.49Å; C313-H334 WeakPolarHBondContact CB-CE1 3.48Å; C313-H334 VanDerWaalsContact SG-CE1 3.59Å; L330-H334 HydrophobicContact CD2-CB 4.23Å; C331-H334 PolarHBondContact O-N 3.17Å; C331-H334 PolarHBondContact SG-ND1 2.88Å; H334-S337 WeakPolarHBondContact O-CB 3.44Å; H334-S337 PolarHBondContact O-N 3.06Å; H334-R338 WeakPolarHBondContact O-CG 3.46Å; H334-R338 PolarHBondContact O-N 3.18Å
335F91.9Very high89.4Confident21 Ų2153.7 Ų53.79%0.09230%0.302CS..Hα-helixtrans-58.8-49.9173.2-179.2-106.4000112M323 E324 L325 L330 C331 S337 R338 Q339M323-F335 HydrophobicContact CB-CB 3.77Å; M323-F335 HydrophobicContact CB-CD1 3.68Å; M323-F335 HydrophobicContact CB-CD2 3.52Å; M323-F335 HydrophobicContact CB-CE1 4.04Å; M323-F335 HydrophobicContact CB-CE2 3.91Å; M323-F335 HydrophobicContact CB-CG 3.38Å; M323-F335 HydrophobicContact CB-CZ 4.14Å; M323-F335 HydrophobicContact CE-CD1 3.87Å; M323-F335 HydrophobicContact CE-CE1 3.3Å; M323-F335 HydrophobicContact CE-CZ 3.75Å; M323-F335 HydrophobicContact CG-CB 4.11Å; M323-F335 HydrophobicContact CG-CD1 3.65Å; M323-F335 HydrophobicContact CG-CD2 4.42Å; M323-F335 HydrophobicContact CG-CE1 4.07Å; M323-F335 HydrophobicContact CG-CG 3.83Å; E324-F335 WeakPolarHBondContact O-CE2 3.49Å; L325-F335 HydrophobicContact CB-CD2 4.2Å; L325-F335 HydrophobicContact CB-CE2 4.22Å; L325-F335 HydrophobicContact CD1-CE2 4.27Å; L330-F335 HydrophobicContact CB-CB 4.11Å; L330-F335 HydrophobicContact CD1-CB 4.47Å; L330-F335 HydrophobicContact CD1-CD2 4.33Å; C331-F335 PolarHBondContact O-N 3.25Å; F335-S337 VanDerWaalsContact C-N 3.32Å; F335-S337 PolarHBondContact O-N 2.86Å; F335-R338 PolarHBondContact O-N 3.48Å; F335-Q339 PolarHBondContact O-N 2.85Å; F335-Q339 VanDerWaalsContact O-N 3.14Å
336H90.2Very high89.4Confident30 Ų3053.3 Ų53.314%0.13930%0.303CS..Hα-helixtrans-71.4-26.1176.9-78.3-82.6000113.2T332 I333 G340 T341 L342 P349T332-H336 WeakPolarHBondContact O-CB 3.35Å; T332-H336 PolarHBondContact O-CD2 2.98Å; T332-H336 PolarHBondContact O-N 3.49Å; T332-H336 VanDerWaalsContact O-N 3.11Å; I333-H336 PolarHBondContact O-N 3.11Å; H336-G340 PolarHBondContact O-N 3.44Å; H336-T341 WeakPolarHBondContact CA-OG1 3.4Å; H336-T341 WeakPolarHBondContact CB-OG1 3.44Å; H336-T341 PolarHBondContact ND1-OG1 3.16Å; H336-T341 PolarHBondContact O-N 2.23Å; H336-T341 PolarHBondContact O-OG1 3.06Å; H336-L342 HydrophobicContact CB-CD2 3.59Å; H336-L342 HydrophobicContact CB-CG 4.18Å; H336-P349 HydrophobicContact CB-CB 4.11Å; H336-P349 HydrophobicContact CB-CG 4.14Å
337S89.8Confident89.5Confident64 Ų6448.8 Ų48.845%0.44829%0.289SS..Hα-helixtrans-63.6-54.1171.6-166.70000111I333 H334 F335 Q339 G340I333-S337 VanDerWaalsContact O-CB 3.28Å; I333-S337 WeakPolarHBondContact O-CB 3.29Å; I333-S337 PolarHBondContact O-N 2.99Å; H334-S337 WeakPolarHBondContact O-CB 3.44Å; H334-S337 PolarHBondContact O-N 3.06Å; F335-S337 VanDerWaalsContact C-N 3.32Å; F335-S337 PolarHBondContact O-N 2.86Å; S337-Q339 VanDerWaalsContact C-N 3.26Å; S337-Q339 PolarHBondContact O-N 2.82Å; S337-G340 PolarHBondContact O-N 3.24Å
338R89.2Confident89.7Confident131 Ų13153.9 Ų53.949%0.49430%0.302SS..Hα-helixtrans-58.8-35.4177.7-74.9171.5169.3-107.20.7112.8D312 L325 H334 F335 G340D312-R338 IonicContact OD1-CZ 3.62Å; D312-R338 IonicContact OD1-NE 2.79Å; D312-R338 PolarHBondContact OD1-NE 3.22Å; D312-R338 IonicContact OD1-NH2 3.59Å; D312-R338 PolarHBondContact OD1-NH2 3.2Å; D312-R338 IonicContact OD2-CZ 2.67Å; D312-R338 IonicContact OD2-NE 3.42Å; D312-R338 PolarHBondContact OD2-NE 2.96Å; D312-R338 IonicContact OD2-NH2 3.15Å; L325-R338 HydrophobicContact CD2-CB 4.26Å; H334-R338 WeakPolarHBondContact O-CG 3.46Å; H334-R338 PolarHBondContact O-N 3.18Å; F335-R338 PolarHBondContact O-N 3.48Å; R338-G340 VanDerWaalsContact C-N 3.34Å
339Q87.3Confident89.8Confident97 Ų9747.8 Ų47.845%0.45328%0.282SS..THydrogen-bonded Turntrans-82.80.1175.4-73-163.981.500115.3F335 S337 T341F335-Q339 PolarHBondContact O-N 2.85Å; F335-Q339 VanDerWaalsContact O-N 3.14Å; S337-Q339 VanDerWaalsContact C-N 3.26Å; S337-Q339 PolarHBondContact O-N 2.82Å; Q339-T341 VanDerWaalsContact C-N 3.29Å; Q339-T341 HydrophobicContact CB-CG2 4.37Å; Q339-T341 PolarHBondContact O-N 2.98Å
340G86.6Confident89.6Confident43 Ų4348.3 Ų48.344%0.44329%0.285SS..THydrogen-bonded Turntrans59.637.8-177.600000113.3H336 S337 R338 K361H336-G340 PolarHBondContact O-N 3.44Å; S337-G340 PolarHBondContact O-N 3.24Å; R338-G340 VanDerWaalsContact C-N 3.34Å; G340-K361 VanDerWaalsContact O-CD 3.29Å; G340-K361 WeakPolarHBondContact O-CD 3.31Å; G340-K361 WeakPolarHBondContact O-CE 3.49Å
341T89.9Confident89.2Confident26 Ų2654.1 Ų54.116%0.1632%0.32CS..  trans-117.411.1-177.949.40000113.7H336 Q339 I350 K361H336-T341 WeakPolarHBondContact CA-OG1 3.4Å; H336-T341 WeakPolarHBondContact CB-OG1 3.44Å; H336-T341 PolarHBondContact ND1-OG1 3.16Å; H336-T341 PolarHBondContact O-N 2.23Å; H336-T341 PolarHBondContact O-OG1 3.06Å; Q339-T341 VanDerWaalsContact C-N 3.29Å; Q339-T341 HydrophobicContact CB-CG2 4.37Å; Q339-T341 PolarHBondContact O-N 2.98Å; T341-I350 WeakPolarHBondContact O-CG1 3.15Å; T341-I350 PolarHBondContact O-N 3Å; T341-K361 HydrophobicContact CG2-CD 4.35Å
342L91.8Very high88.8Confident41 Ų4155.9 Ų55.922%0.21534%0.344CS..BIsolated β-bridgetrans-75140.6165.7-61.7-179.1000110.9I333 H336 G344 P349I333-L342 HydrophobicContact CG2-CD1 4.45Å; H336-L342 HydrophobicContact CB-CD2 3.59Å; H336-L342 HydrophobicContact CB-CG 4.18Å; L342-G344 PolarHBondContact O-N 3.4Å; L342-P349 HydrophobicContact CD2-CB 4.49Å; L342-P349 HydrophobicContact CD2-CG 3.95Å
343C91.3Very high88.6Confident2 Ų263.9 Ų63.91%0.01437%0.367CS..BIsolated β-bridgetrans-69.5124.2175.3176.40000111.8G345 C346 G347 K348 I350 K361 H363C343-G345 PolarHBondContact O-N 3.29Å; C343-G345 VanDerWaalsContact O-N 3.15Å; C343-G345 PolarHBondContact SG-N 2.96Å; C343-C346 VanDerWaalsContact SG-SG 3.65Å; C343-G347 VanDerWaalsContact O-CA 3.32Å; C343-G347 WeakPolarHBondContact O-CA 3.38Å; C343-G347 PolarHBondContact O-N 3.02Å; C343-K348 WeakPolarHBondContact CB-O 3.06Å; C343-K348 PolarHBondContact N-O 2.92Å; C343-I350 HydrophobicContact CB-CD1 4.12Å; C343-I350 HydrophobicContact CB-CG1 3.84Å; C343-K361 CarbonylContact C-O 3.52Å; C343-K361 VanDerWaalsContact CA-O 3.31Å; C343-K361 WeakPolarHBondContact CA-O 3.48Å; C343-H363 WeakPolarHBondContact CB-CE1 3.2Å; C343-H363 WeakPolarHBondContact CB-ND1 3.32Å; C343-H363 PolarHBondContact SG-N 3.42Å; C343-H363 VanDerWaalsContact SG-N 3.42Å; C343-H363 PolarHBondContact SG-ND1 2.97Å
344G86.3Confident88.5Confident16 Ų1662.4 Ų62.417%0.16536%0.364CS..THydrogen-bonded Turntrans-63.4-19.4179.700000115L342 R360 K361L342-G344 PolarHBondContact O-N 3.4Å; G344-R360 PolarHBondContact O-NH2 3.46Å; G344-K361 PolarHBondContact N-O 3.25Å
345G86.4Confident88.3Confident52 Ų5260.7 Ų60.754%0.53636%0.357SS..THydrogen-bonded Turntrans-87.7-51.417700000114C343C343-G345 PolarHBondContact O-N 3.29Å; C343-G345 VanDerWaalsContact O-N 3.15Å; C343-G345 PolarHBondContact SG-N 2.96Å
346C89.8Confident88.2Confident42 Ų4262.7 Ų62.728%0.28437%0.374SS..THydrogen-bonded Turntrans-109.7-3.2-172.472.10000115.2C343 K348 H363 H366C343-C346 VanDerWaalsContact SG-SG 3.65Å; C346-K348 PolarHBondContact O-N 3.27Å; C346-K348 VanDerWaalsContact O-N 3.1Å; C346-H363 PolarHBondContact SG-CE1 2.85Å; C346-H363 PolarHBondContact SG-ND1 3.39Å; C346-H363 VanDerWaalsContact SG-ND1 3.41Å; C346-H366 VanDerWaalsContact SG-CE1 3.59Å
347G86.7Confident88Confident43 Ų4361.9 Ų61.944%0.44337%0.372SS..  trans70.2-1.6-179.800000115.6C343C343-G347 VanDerWaalsContact O-CA 3.32Å; C343-G347 WeakPolarHBondContact O-CA 3.38Å; C343-G347 PolarHBondContact O-N 3.02Å
348K89.4Confident87.7Confident140 Ų14060.6 Ų60.661%0.60936%0.36SS*.  trans-84.9150.7-179.3-60.1-179-177.9179.70111.7C343 C346 H363C343-K348 WeakPolarHBondContact CB-O 3.06Å; C343-K348 PolarHBondContact N-O 2.92Å; C346-K348 PolarHBondContact O-N 3.27Å; C346-K348 VanDerWaalsContact O-N 3.1Å; K348-H363 WeakPolarHBondContact CB-CE1 3.2Å; K348-H363 PolarHBondContact O-CE1 3.41Å
349P90.4Very high87.5Confident23 Ų2362.9 Ų62.915%0.14938%0.382CS..BIsolated β-bridgetrans-50.4138.4168.4-29.737.2000113.1T332 I333 H336 L342 H363T332-P349 HydrophobicContact CG2-CG 4.09Å; I333-P349 HydrophobicContact CD1-CG 3.99Å; H336-P349 HydrophobicContact CB-CB 4.11Å; H336-P349 HydrophobicContact CB-CG 4.14Å; L342-P349 HydrophobicContact CD2-CB 4.49Å; L342-P349 HydrophobicContact CD2-CG 3.95Å; P349-H363 PolarHBondContact O-CE1 3.47Å; P349-H363 PolarHBondContact O-NE2 3.25Å
350I89.5Confident87.5Confident14 Ų1465.1 Ų65.17%0.07239%0.387CS..  trans-93.8110.7172.9-54.6162000109.5T341 C343 C354 K361 H363T341-I350 WeakPolarHBondContact O-CG1 3.15Å; T341-I350 PolarHBondContact O-N 3Å; C343-I350 HydrophobicContact CB-CD1 4.12Å; C343-I350 HydrophobicContact CB-CG1 3.84Å; I350-C354 HydrophobicContact CD1-CB 4.02Å; I350-C354 HydrophobicContact CG2-CB 3.72Å; I350-K361 HydrophobicContact CD1-CB 3.54Å; I350-H363 WeakPolarHBondContact CA-NE2 3.43Å; I350-H363 PolarHBondContact N-NE2 3Å
351T82.6Confident87.6Confident123 Ų12366.5 Ų66.576%0.75538%0.38SS*.  trans-95.7108.9172.245.70000109.9
352G83.9Confident87.6Confident68 Ų6866.2 Ų66.270%0.70138%0.377SS*.SBendtrans93.5-134.1178.200000114.4C354G352-C354 PolarHBondContact O-N 3.05Å
353R84.8Confident87.5Confident225 Ų22565.7 Ų65.785%0.84937%0.373SS*.  trans-64.4126.9-172.9-73.6-172.2-77.4-176.9-5111.3P364R353-P364 WeakPolarHBondContact O-CD 3.32Å
354C88.9Confident87.4Confident56 Ų5668 Ų6838%0.37839%0.388SS..  trans-122.9156.6175.669.40000111.3I350 G352 F362I350-C354 HydrophobicContact CD1-CB 4.02Å; I350-C354 HydrophobicContact CG2-CB 3.72Å; G352-C354 PolarHBondContact O-N 3.05Å; C354-F362 WeakPolarHBondContact CA-O 3.48Å
355V88.3Confident87.5Confident18 Ų1873.3 Ų73.311%0.10941%0.409CS..EExtended strand (participates in β ladder)trans-102.6122.6165.7-179.60000107.3K361 F362 P364 F367V355-K361 CarbonylContact O-C 3.54Å; V355-K361 WeakPolarHBondContact O-CA 3.48Å; V355-F362 PolarHBondContact N-O 2.92Å; V355-F362 PolarHBondContact O-N 3.42Å; V355-P364 HydrophobicContact CG2-CB 4.35Å; V355-P364 HydrophobicContact CG2-CG 4.43Å; V355-F367 HydrophobicContact CB-CB 4.24Å; V355-F367 HydrophobicContact CB-CD1 4.48Å; V355-F367 HydrophobicContact CB-CG 4.36Å; V355-F367 HydrophobicContact CG1-CB 4.26Å; V355-F367 HydrophobicContact CG1-CD1 3.64Å; V355-F367 HydrophobicContact CG1-CD2 4.44Å; V355-F367 HydrophobicContact CG1-CE1 4.07Å; V355-F367 HydrophobicContact CG1-CG 3.86Å; V355-F367 HydrophobicContact CG2-CB 4.45Å
356S89.1Confident87.7Confident62 Ų6274 Ų7443%0.43440%0.398SS..EExtended strand (participates in β ladder)trans-99.9118.8174.6-60.30000108.8
357A85.4Confident87.8Confident13 Ų1372 Ų7211%0.10738%0.384CS..EExtended strand (participates in β ladder)trans-161153.3-177.900000109.5D359 R360 F362 F367 F381A357-D359 PolarHBondContact O-N 3.43Å; A357-R360 PolarHBondContact N-O 2.81Å; A357-R360 CarbonylContact O-C 3.58Å; A357-R360 PolarHBondContact O-N 3.42Å; A357-F362 WeakPolarHBondContact O-CE2 3.44Å; A357-F367 HydrophobicContact CB-CD2 4.36Å; A357-F367 HydrophobicContact CB-CE1 4.46Å; A357-F367 HydrophobicContact CB-CE2 3.55Å; A357-F367 HydrophobicContact CB-CZ 3.62Å; A357-F381 HydrophobicContact CB-CE1 4.25Å; A357-F381 HydrophobicContact CB-CZ 3.83Å
358L84.6Confident88Confident38 Ų3871.9 Ų71.920%0.19938%0.375CS..THydrogen-bonded Turntrans56.138.9176.2-43.8175.6000112.6R360 F367 F381 E383 P388L358-R360 WeakPolarHBondContact O-CG 3.35Å; L358-R360 PolarHBondContact O-N 2.89Å; L358-F367 HydrophobicContact CD1-CE2 4.49Å; L358-F381 HydrophobicContact CD2-CE2 4.05Å; L358-E383 HydrophobicContact CD2-CB 3.97Å; L358-E383 HydrophobicContact CD2-CG 3.57Å; L358-E383 WeakPolarHBondContact CD2-OE2 3.42Å; L358-P388 HydrophobicContact CD1-CB 4.16Å; L358-P388 HydrophobicContact CD1-CG 4.06Å
359D84.8Confident88Confident178 Ų17865.2 Ų65.295%0.95235%0.346SS*.THydrogen-bonded Turntrans52.121.1-173.2-57.4-39.9000115.6A357A357-D359 PolarHBondContact O-N 3.43Å
360R87.4Confident88Confident145 Ų14566.3 Ų66.355%0.54736%0.357SS..EExtended strand (participates in β ladder)trans-133.1159-179.4-63176.782.5-169.52.9110.5G344 A357 L358 F362G344-R360 PolarHBondContact O-NH2 3.46Å; A357-R360 PolarHBondContact N-O 2.81Å; A357-R360 CarbonylContact O-C 3.58Å; A357-R360 PolarHBondContact O-N 3.42Å; L358-R360 WeakPolarHBondContact O-CG 3.35Å; L358-R360 PolarHBondContact O-N 2.89Å; R360-F362 HydrophobicContact CB-CE2 3.74Å; R360-F362 HydrophobicContact CB-CZ 4.06Å
361K89.1Confident88Confident72 Ų7271.9 Ų71.931%0.31338%0.381SS..EExtended strand (participates in β ladder)trans-100.8145.4172.2-59-173.1-171.3163.50109.3G340 T341 C343 G344 I350 V355G340-K361 VanDerWaalsContact O-CD 3.29Å; G340-K361 WeakPolarHBondContact O-CD 3.31Å; G340-K361 WeakPolarHBondContact O-CE 3.49Å; T341-K361 HydrophobicContact CG2-CD 4.35Å; C343-K361 CarbonylContact C-O 3.52Å; C343-K361 VanDerWaalsContact CA-O 3.31Å; C343-K361 WeakPolarHBondContact CA-O 3.48Å; G344-K361 PolarHBondContact N-O 3.25Å; I350-K361 HydrophobicContact CD1-CB 3.54Å; V355-K361 CarbonylContact O-C 3.54Å; V355-K361 WeakPolarHBondContact O-CA 3.48Å
362F89.3Confident88.5Confident19 Ų1968.2 Ų68.28%0.08336%0.36CS..EExtended strand (participates in β ladder)trans-133.3149178.1-62.9-95000109.6C354 V355 A357 R360 F367C354-F362 WeakPolarHBondContact CA-O 3.48Å; V355-F362 PolarHBondContact N-O 2.92Å; V355-F362 PolarHBondContact O-N 3.42Å; A357-F362 WeakPolarHBondContact O-CE2 3.44Å; R360-F362 HydrophobicContact CB-CE2 3.74Å; R360-F362 HydrophobicContact CB-CZ 4.06Å; F362-F367 HydrophobicContact CB-CB 4.01Å; F362-F367 AromaticContact CD2-CD2 3.93Å; F362-F367 HydrophobicContact CD2-CD2 3.93Å; F362-F367 HydrophobicContact CE2-CD2 4.3Å; F362-F367 HydrophobicContact CG-CB 4.44Å; F362-F367 HydrophobicContact CG-CD2 4.12Å
363H90.4Very high88.7Confident30 Ų3071 Ų7114%0.13936%0.358CS..  trans-62.4148158.5-55.499.3000108.5C343 C346 K348 P349 I350 E365 H366 F367C343-H363 WeakPolarHBondContact CB-CE1 3.2Å; C343-H363 WeakPolarHBondContact CB-ND1 3.32Å; C343-H363 PolarHBondContact SG-N 3.42Å; C343-H363 VanDerWaalsContact SG-N 3.42Å; C343-H363 PolarHBondContact SG-ND1 2.97Å; C346-H363 PolarHBondContact SG-CE1 2.85Å; C346-H363 PolarHBondContact SG-ND1 3.39Å; C346-H363 VanDerWaalsContact SG-ND1 3.41Å; K348-H363 WeakPolarHBondContact CB-CE1 3.2Å; K348-H363 PolarHBondContact O-CE1 3.41Å; P349-H363 PolarHBondContact O-CE1 3.47Å; P349-H363 PolarHBondContact O-NE2 3.25Å; I350-H363 WeakPolarHBondContact CA-NE2 3.43Å; I350-H363 PolarHBondContact N-NE2 3Å; H363-E365 HydrophobicContact CB-CG 3.83Å; H363-E365 PolarHBondContact O-N 3.15Å; H363-H366 HydrophobicContact CB-CB 4.3Å; H363-H366 AromaticContact CG-ND1 3.65Å; H363-H366 AromaticContact ND1-CE1 3.89Å; H363-H366 AromaticContact ND1-ND1 3.16Å; H363-H366 PolarHBondContact ND1-ND1 3.1Å; H363-H366 VanDerWaalsContact ND1-ND1 3.16Å; H363-H366 PolarHBondContact O-N 2.88Å; H363-F367 PolarHBondContact O-N 3.46Å
364P88.5Confident88.9Confident50 Ų5068.9 Ų68.933%0.32535%0.35SS..G310 helixtrans-53.4-40.8178.5-27.535.3000112.8R353 V355 H366 F367 Q375R353-P364 WeakPolarHBondContact O-CD 3.32Å; V355-P364 HydrophobicContact CG2-CB 4.35Å; V355-P364 HydrophobicContact CG2-CG 4.43Å; P364-H366 VanDerWaalsContact C-N 3.28Å; P364-H366 PolarHBondContact O-N 2.85Å; P364-F367 PolarHBondContact O-N 2.84Å; P364-Q375 WeakPolarHBondContact O-CG 3.27Å; P364-Q375 PolarHBondContact O-NE2 3.23Å
365E89.1Confident88.9Confident128 Ų12871.9 Ų71.960%0.59836%0.358SS*.G310 helixtrans-64.8-26.417762.7-175.9-179.200114.1H363 V368H363-E365 HydrophobicContact CB-CG 3.83Å; H363-E365 PolarHBondContact O-N 3.15Å; E365-V368 WeakPolarHBondContact O-CG1 3.42Å
366H89.6Confident88.8Confident66 Ų6671.5 Ų71.531%0.30636%0.356SS..G310 helixtrans-94.1-8.1-176.8-71.2112.4000112.8C346 H363 P364 V368C346-H366 VanDerWaalsContact SG-CE1 3.59Å; H363-H366 HydrophobicContact CB-CB 4.3Å; H363-H366 AromaticContact CG-ND1 3.65Å; H363-H366 AromaticContact ND1-CE1 3.89Å; H363-H366 AromaticContact ND1-ND1 3.16Å; H363-H366 PolarHBondContact ND1-ND1 3.1Å; H363-H366 VanDerWaalsContact ND1-ND1 3.16Å; H363-H366 PolarHBondContact O-N 2.88Å; P364-H366 VanDerWaalsContact C-N 3.28Å; P364-H366 PolarHBondContact O-N 2.85Å; H366-V368 PolarHBondContact O-N 2.92Å
367F91.4Very high88Confident1 Ų172.1 Ų72.10%0.00436%0.36CS..  trans-90.884.1172.8-167.3-113.8000110.3V355 A357 L358 F362 H363 P364 L376 F381 P388V355-F367 HydrophobicContact CB-CB 4.24Å; V355-F367 HydrophobicContact CB-CD1 4.48Å; V355-F367 HydrophobicContact CB-CG 4.36Å; V355-F367 HydrophobicContact CG1-CB 4.26Å; V355-F367 HydrophobicContact CG1-CD1 3.64Å; V355-F367 HydrophobicContact CG1-CD2 4.44Å; V355-F367 HydrophobicContact CG1-CE1 4.07Å; V355-F367 HydrophobicContact CG1-CG 3.86Å; V355-F367 HydrophobicContact CG2-CB 4.45Å; A357-F367 HydrophobicContact CB-CD2 4.36Å; A357-F367 HydrophobicContact CB-CE1 4.46Å; A357-F367 HydrophobicContact CB-CE2 3.55Å; A357-F367 HydrophobicContact CB-CZ 3.62Å; L358-F367 HydrophobicContact CD1-CE2 4.49Å; F362-F367 HydrophobicContact CB-CB 4.01Å; F362-F367 AromaticContact CD2-CD2 3.93Å; F362-F367 HydrophobicContact CD2-CD2 3.93Å; F362-F367 HydrophobicContact CE2-CD2 4.3Å; F362-F367 HydrophobicContact CG-CB 4.44Å; F362-F367 HydrophobicContact CG-CD2 4.12Å; H363-F367 PolarHBondContact O-N 3.46Å; P364-F367 PolarHBondContact O-N 2.84Å; F367-L376 HydrophobicContact CD1-CB 3.56Å; F367-L376 WeakPolarHBondContact CD1-O 3.2Å; F367-L376 HydrophobicContact CE1-CB 3.55Å; F367-L376 HydrophobicContact CE1-CD1 4.12Å; F367-L376 HydrophobicContact CE1-CG 4.49Å; F367-L376 HydrophobicContact CZ-CD1 4.34Å; F367-L376 PolarHBondContact O-N 3.4Å; F367-F381 AromaticContact CE1-CD1 3.8Å; F367-F381 HydrophobicContact CE1-CD1 3.8Å; F367-F381 HydrophobicContact CE1-CE1 4.02Å; F367-F381 HydrophobicContact CE1-CG 4.23Å; F367-F381 AromaticContact CZ-CD1 3.73Å; F367-F381 HydrophobicContact CZ-CD1 3.73Å; F367-F381 HydrophobicContact CZ-CD2 4.06Å; F367-F381 AromaticContact CZ-CE1 3.69Å; F367-F381 HydrophobicContact CZ-CE1 3.69Å; F367-F381 HydrophobicContact CZ-CE2 4.03Å; F367-F381 AromaticContact CZ-CG 3.92Å; F367-F381 HydrophobicContact CZ-CG 3.92Å; F367-F381 AromaticContact CZ-CZ 3.85Å; F367-F381 HydrophobicContact CZ-CZ 3.85Å; F367-P388 HydrophobicContact CD2-CG 4.34Å; F367-P388 HydrophobicContact CE2-CB 3.83Å; F367-P388 HydrophobicContact CE2-CG 3.83Å; F367-P388 HydrophobicContact CZ-CB 3.88Å; F367-P388 HydrophobicContact CZ-CG 4.35Å
368V90.9Very high87Confident41 Ų4178.6 Ų78.625%0.24839%0.388CS..BIsolated β-bridgetrans-120.6153.6-174.1-61.20000112.1E365 H366 A370 L373 R374E365-V368 WeakPolarHBondContact O-CG1 3.42Å; H366-V368 PolarHBondContact O-N 2.92Å; V368-A370 PolarHBondContact O-N 3.19Å; V368-L373 HydrophobicContact CG2-CD2 4.41Å; V368-R374 WeakPolarHBondContact CA-O 3.43Å
369C90.7Very high86.1Confident0 Ų080 Ų800%041%0.412CS..  trans-62.9124.9173.3173.90000111.1F371 L373 R374 L376 P388 C390C369-F371 PolarHBondContact O-N 3.29Å; C369-L373 VanDerWaalsContact O-CA 3.26Å; C369-L373 WeakPolarHBondContact O-CA 3.45Å; C369-L373 PolarHBondContact O-N 2.97Å; C369-R374 PolarHBondContact N-O 3.16Å; C369-L376 HydrophobicContact CB-CD1 4.3Å; C369-L376 HydrophobicContact CB-CD2 4.19Å; C369-L376 HydrophobicContact CB-CG 4.32Å; C369-P388 WeakPolarHBondContact CA-O 3.48Å; C369-C390 HydrophobicContact CB-CB 4.37Å; C369-C390 PolarHBondContact SG-N 3.29Å; C369-C390 VanDerWaalsContact SG-N 3.37Å
370A89.5Confident85.7Confident46 Ų4676.7 Ų76.738%0.3839%0.393SS..THydrogen-bonded Turntrans-60.6-14.6-17800000115.3V368 K387 P388 Y389V368-A370 PolarHBondContact O-N 3.19Å; A370-K387 HydrophobicContact CB-CB 4.04Å; A370-K387 HydrophobicContact CB-CD 4.36Å; A370-P388 PolarHBondContact N-O 2.88Å; A370-Y389 HydrophobicContact CB-CD1 4.48Å; A370-Y389 HydrophobicContact CB-CE1 4.01Å; A370-Y389 HydrophobicContact CB-CE2 4.44Å
371F90.5Very high85.7Confident131 Ų13172.7 Ų72.758%0.57538%0.38SS*.THydrogen-bonded Turntrans-101.1-56175.5-176.4-95.9000113.1C369 Y389 C393 L397C369-F371 PolarHBondContact O-N 3.29Å; F371-Y389 HydrophobicContact CB-CD1 4.23Å; F371-Y389 HydrophobicContact CB-CE1 4.24Å; F371-C393 HydrophobicContact CB-CB 4.22Å; F371-C393 HydrophobicContact CD1-CB 4.26Å; F371-L397 HydrophobicContact CB-CD1 3.93Å; F371-L397 HydrophobicContact CD2-CD1 3.72Å; F371-L397 HydrophobicContact CD2-CD2 4.2Å; F371-L397 HydrophobicContact CE2-CD1 4.37Å; F371-L397 HydrophobicContact CE2-CD2 4.06Å; F371-L397 HydrophobicContact CG-CD1 3.83Å
372C91.6Very high85.6Confident46 Ų4672.7 Ų72.731%0.31138%0.38SS..THydrogen-bonded Turntrans-97.82.8-173.567.40000114.9R374 C393C372-R374 PolarHBondContact O-N 3Å; C372-C393 VanDerWaalsContact SG-SG 3.61Å
373L88.9Confident85.6Confident127 Ų12776.6 Ų76.667%0.66540%0.398SS*.  trans54.411.1-179.6-54.1179.7000115.4V368 C369V368-L373 HydrophobicContact CG2-CD2 4.41Å; C369-L373 VanDerWaalsContact O-CA 3.26Å; C369-L373 WeakPolarHBondContact O-CA 3.45Å; C369-L373 PolarHBondContact O-N 2.97Å
374R88.9Confident85.5Confident180 Ų18078.3 Ų78.368%0.67941%0.407SS*.PPolyproline II helixtrans-74.3134.1177.1-163174.1-621602.9109.7V368 C369 C372 L376V368-R374 WeakPolarHBondContact CA-O 3.43Å; C369-R374 PolarHBondContact N-O 3.16Å; C372-R374 PolarHBondContact O-N 3Å; R374-L376 PolarHBondContact O-N 3.3Å
375Q88.6Confident85.4Confident118 Ų11882.8 Ų82.855%0.55143%0.428SS*.BIsolated β-bridgetrans-53.8133.9174.5-168.9174.337.500111P364P364-Q375 WeakPolarHBondContact O-CG 3.27Å; P364-Q375 PolarHBondContact O-NE2 3.23Å
376L85.8Confident85.1Confident10 Ų1079 Ų795%0.05242%0.423CS..PPolyproline II helixtrans-102.1131.8178.7-65.1171.5000108.9F367 C369 R374 F381 P388 C390F367-L376 HydrophobicContact CD1-CB 3.56Å; F367-L376 WeakPolarHBondContact CD1-O 3.2Å; F367-L376 HydrophobicContact CE1-CB 3.55Å; F367-L376 HydrophobicContact CE1-CD1 4.12Å; F367-L376 HydrophobicContact CE1-CG 4.49Å; F367-L376 HydrophobicContact CZ-CD1 4.34Å; F367-L376 PolarHBondContact O-N 3.4Å; C369-L376 HydrophobicContact CB-CD1 4.3Å; C369-L376 HydrophobicContact CB-CD2 4.19Å; C369-L376 HydrophobicContact CB-CG 4.32Å; R374-L376 PolarHBondContact O-N 3.3Å; L376-F381 HydrophobicContact CD1-CB 3.87Å; L376-F381 HydrophobicContact CD2-CB 4.26Å; L376-F381 HydrophobicContact CG-CB 4.48Å; L376-P388 HydrophobicContact CD1-CB 3.69Å; L376-P388 HydrophobicContact CD1-CG 4.17Å; L376-C390 HydrophobicContact CD2-CB 3.64Å
377S72.6Confident85Confident76 Ų7681.5 Ų81.553%0.53143%0.433SS..PPolyproline II helixtrans-89.4157.5172.152.80000110.9G379 I380S377-G379 PolarHBondContact O-N 2.83Å; S377-I380 PolarHBondContact O-N 2.85Å
378H64.6Low84.9Confident148 Ų14882.2 Ų82.269%0.68544%0.438SS*.THydrogen-bonded Turntrans-56.9121179.6-153-119.6000110.3
379G65.4Low84.9Confident69 Ų6981.7 Ų81.771%0.71143%0.432SS*.THydrogen-bonded Turntrans98.7-5.617500000117.9S377S377-G379 PolarHBondContact O-N 2.83Å
380I76.6Confident84.9Confident108 Ų10882.7 Ų82.755%0.55444%0.438SS*.  trans-128.261-179.8-40.1179.2000112.3S377S377-I380 PolarHBondContact O-N 2.85Å
381F87.9Confident84.9Confident60 Ų6083.2 Ų83.226%0.26344%0.437SS..  trans-141.3159.3169.772.9-84.3000111.1A357 L358 F367 L376 P388 Y389A357-F381 HydrophobicContact CB-CE1 4.25Å; A357-F381 HydrophobicContact CB-CZ 3.83Å; L358-F381 HydrophobicContact CD2-CE2 4.05Å; F367-F381 AromaticContact CE1-CD1 3.8Å; F367-F381 HydrophobicContact CE1-CD1 3.8Å; F367-F381 HydrophobicContact CE1-CE1 4.02Å; F367-F381 HydrophobicContact CE1-CG 4.23Å; F367-F381 AromaticContact CZ-CD1 3.73Å; F367-F381 HydrophobicContact CZ-CD1 3.73Å; F367-F381 HydrophobicContact CZ-CD2 4.06Å; F367-F381 AromaticContact CZ-CE1 3.69Å; F367-F381 HydrophobicContact CZ-CE1 3.69Å; F367-F381 HydrophobicContact CZ-CE2 4.03Å; F367-F381 AromaticContact CZ-CG 3.92Å; F367-F381 HydrophobicContact CZ-CG 3.92Å; F367-F381 AromaticContact CZ-CZ 3.85Å; F367-F381 HydrophobicContact CZ-CZ 3.85Å; L376-F381 HydrophobicContact CD1-CB 3.87Å; L376-F381 HydrophobicContact CD2-CB 4.26Å; L376-F381 HydrophobicContact CG-CB 4.48Å; F381-P388 HydrophobicContact CD2-CB 3.88Å; F381-P388 HydrophobicContact CE2-CB 4.41Å; F381-P388 HydrophobicContact CG-CB 4.5Å; F381-Y389 CarbonylContact C-O 3.52Å; F381-Y389 WeakPolarHBondContact CA-O 3.42Å; F381-Y389 WeakPolarHBondContact CB-O 3.38Å
382K87.3Confident84.9Confident72 Ų7280.1 Ų80.131%0.31344%0.435SS..EExtended strand (participates in β ladder)trans-116.5141.8168.2-70.7-177.2171.4-177.20108.8Y389 F394 N395K382-Y389 PolarHBondContact N-O 3.32Å; K382-Y389 PolarHBondContact O-N 3.33Å; K382-F394 HydrophobicContact CB-CB 4.04Å; K382-F394 HydrophobicContact CB-CD1 4.39Å; K382-F394 HydrophobicContact CB-CD2 3.33Å; K382-F394 HydrophobicContact CB-CE2 3.81Å; K382-F394 HydrophobicContact CB-CG 3.67Å; K382-F394 HydrophobicContact CD-CB 3.85Å; K382-F394 HydrophobicContact CD-CD1 3.31Å; K382-F394 HydrophobicContact CD-CD2 3.86Å; K382-F394 HydrophobicContact CD-CE1 3.76Å; K382-F394 HydrophobicContact CD-CE2 4.22Å; K382-F394 HydrophobicContact CD-CG 3.38Å; K382-F394 HydrophobicContact CD-CZ 4.19Å; K382-F394 HydrophobicContact CG-CB 4.49Å; K382-F394 HydrophobicContact CG-CD2 4.27Å; K382-F394 HydrophobicContact CG-CG 4.17Å; K382-N395 PolarHBondContact NZ-OD1 2.79Å
383E88.7Confident84.8Confident101 Ų10178.6 Ų78.647%0.47243%0.425SS..EExtended strand (participates in β ladder)trans-93.8139.8175.2-176-174.7164.700110.7L358 G386 K387L358-E383 HydrophobicContact CD2-CB 3.97Å; L358-E383 HydrophobicContact CD2-CG 3.57Å; L358-E383 WeakPolarHBondContact CD2-OE2 3.42Å; E383-G386 VanDerWaalsContact OE1-CA 3.27Å; E383-G386 WeakPolarHBondContact OE1-CA 3.34Å; E383-G386 PolarHBondContact OE1-N 3.26Å; E383-K387 WeakPolarHBondContact CA-O 3.25Å
384Q87.8Confident84.9Confident67 Ų6773.7 Ų73.731%0.31340%0.399SS..EExtended strand (participates in β ladder)trans-137.1127.4160.8-16567.639.500108.9G386 K387 Y389 F394 F398Q384-G386 PolarHBondContact O-N 3.11Å; Q384-K387 PolarHBondContact N-O 2.89Å; Q384-K387 WeakPolarHBondContact O-CB 3.33Å; Q384-K387 PolarHBondContact O-N 2.94Å; Q384-Y389 HydrophobicContact CB-CD2 4.1Å; Q384-Y389 HydrophobicContact CB-CE2 3.8Å; Q384-F394 HydrophobicContact CB-CE2 4.03Å; Q384-F398 HydrophobicContact CB-CD2 4.17Å; Q384-F398 HydrophobicContact CB-CE2 3.78Å; Q384-F398 HydrophobicContact CB-CZ 3.97Å; Q384-F398 HydrophobicContact CG-CD1 4.09Å; Q384-F398 HydrophobicContact CG-CD2 4.21Å; Q384-F398 HydrophobicContact CG-CE1 3.89Å; Q384-F398 HydrophobicContact CG-CE2 4.01Å; Q384-F398 HydrophobicContact CG-CG 4.25Å; Q384-F398 HydrophobicContact CG-CZ 3.85Å
385N86.3Confident85Confident144 Ų14468.6 Ų68.677%0.7739%0.385SS*.THydrogen-bonded Turntrans48.947.6178.3-58.64.7000113.8K387N385-K387 PolarHBondContact O-N 3.37Å
386G83.6Confident85.1Confident48 Ų4871.3 Ų71.350%0.49540%0.395SS..THydrogen-bonded Turntrans70.913-179.800000115.1E383 Q384E383-G386 VanDerWaalsContact OE1-CA 3.27Å; E383-G386 WeakPolarHBondContact OE1-CA 3.34Å; E383-G386 PolarHBondContact OE1-N 3.26Å; Q384-G386 PolarHBondContact O-N 3.11Å
387K87.6Confident85.2Confident118 Ų11874.4 Ų74.451%0.51341%0.411SS..EExtended strand (participates in β ladder)trans-119.7136178.9-65.8-179.6-177.5-179.80111A370 E383 Q384 N385 Y389A370-K387 HydrophobicContact CB-CB 4.04Å; A370-K387 HydrophobicContact CB-CD 4.36Å; E383-K387 WeakPolarHBondContact CA-O 3.25Å; Q384-K387 PolarHBondContact N-O 2.89Å; Q384-K387 WeakPolarHBondContact O-CB 3.33Å; Q384-K387 PolarHBondContact O-N 2.94Å; N385-K387 PolarHBondContact O-N 3.37Å; K387-Y389 HydrophobicContact CB-CE2 3.73Å; K387-Y389 VanDerWaalsContact O-CD2 3.25Å; K387-Y389 WeakPolarHBondContact O-CD2 3.02Å; K387-Y389 WeakPolarHBondContact O-CE2 3.4Å
388P90.1Very high85.9Confident17 Ų1774.9 Ų74.911%0.1140%0.404CS..EExtended strand (participates in β ladder)trans-87.5137.9179.634.9-32.3000111.3L358 F367 C369 A370 L376 F381L358-P388 HydrophobicContact CD1-CB 4.16Å; L358-P388 HydrophobicContact CD1-CG 4.06Å; F367-P388 HydrophobicContact CD2-CG 4.34Å; F367-P388 HydrophobicContact CE2-CB 3.83Å; F367-P388 HydrophobicContact CE2-CG 3.83Å; F367-P388 HydrophobicContact CZ-CB 3.88Å; F367-P388 HydrophobicContact CZ-CG 4.35Å; C369-P388 WeakPolarHBondContact CA-O 3.48Å; A370-P388 PolarHBondContact N-O 2.88Å; L376-P388 HydrophobicContact CD1-CB 3.69Å; L376-P388 HydrophobicContact CD1-CG 4.17Å; F381-P388 HydrophobicContact CD2-CB 3.88Å; F381-P388 HydrophobicContact CE2-CB 4.41Å; F381-P388 HydrophobicContact CG-CB 4.5Å
389Y90.2Very high86.7Confident30 Ų3075.6 Ų75.612%0.11841%0.411CS..EExtended strand (participates in β ladder)trans-128.1141.8178-64.6-95.9000110.3A370 F371 F381 K382 Q384 K387 L397 F398A370-Y389 HydrophobicContact CB-CD1 4.48Å; A370-Y389 HydrophobicContact CB-CE1 4.01Å; A370-Y389 HydrophobicContact CB-CE2 4.44Å; F371-Y389 HydrophobicContact CB-CD1 4.23Å; F371-Y389 HydrophobicContact CB-CE1 4.24Å; F381-Y389 CarbonylContact C-O 3.52Å; F381-Y389 WeakPolarHBondContact CA-O 3.42Å; F381-Y389 WeakPolarHBondContact CB-O 3.38Å; K382-Y389 PolarHBondContact N-O 3.32Å; K382-Y389 PolarHBondContact O-N 3.33Å; Q384-Y389 HydrophobicContact CB-CD2 4.1Å; Q384-Y389 HydrophobicContact CB-CE2 3.8Å; K387-Y389 HydrophobicContact CB-CE2 3.73Å; K387-Y389 VanDerWaalsContact O-CD2 3.25Å; K387-Y389 WeakPolarHBondContact O-CD2 3.02Å; K387-Y389 WeakPolarHBondContact O-CE2 3.4Å; Y389-L397 HydrophobicContact CD1-CD1 4.1Å; Y389-L397 HydrophobicContact CE1-CD1 3.96Å; Y389-F398 HydrophobicContact CD1-CE2 4.08Å; Y389-F398 HydrophobicContact CD2-CE2 4.02Å; Y389-F398 AromaticContact CE1-CE2 3.9Å; Y389-F398 HydrophobicContact CE1-CE2 3.9Å; Y389-F398 HydrophobicContact CE1-CZ 4.09Å; Y389-F398 AromaticContact CE2-CE2 3.86Å; Y389-F398 HydrophobicContact CE2-CE2 3.86Å; Y389-F398 HydrophobicContact CE2-CZ 4.1Å; Y389-F398 HydrophobicContact CG-CE2 4.14Å; Y389-F398 AromaticContact CZ-CE2 3.8Å; Y389-F398 AromaticContact CZ-CZ 3.76Å
390C91.3Very high87.8Confident21 Ų2175.9 Ų75.914%0.14240%0.396CS..  trans-69.3151.3167.173.10000109.4C369 L376 A392 C393 F394C369-C390 HydrophobicContact CB-CB 4.37Å; C369-C390 PolarHBondContact SG-N 3.29Å; C369-C390 VanDerWaalsContact SG-N 3.37Å; L376-C390 HydrophobicContact CD2-CB 3.64Å; C390-A392 PolarHBondContact O-N 3.46Å; C390-A392 VanDerWaalsContact O-N 3.11Å; C390-C393 PolarHBondContact O-N 3.02Å; C390-C393 PolarHBondContact SG-SG 3.05Å; C390-F394 PolarHBondContact O-N 2.92Å
391T88.7Confident88.3Confident56 Ų5674.2 Ų74.234%0.34439%0.388SS..Hα-helixtrans-52.1-39.3-176.1-47.10000113N395T391-N395 VanDerWaalsContact O-CB 3.32Å; T391-N395 WeakPolarHBondContact O-CB 3.33Å; T391-N395 PolarHBondContact O-N 2.98Å; T391-N395 PolarHBondContact O-OD1 2.88Å
392A89.9Confident88.4Confident66 Ų6675 Ų7555%0.54540%0.395SS..Hα-helixtrans-70.2-28.8179.400000114.1C390 K396C390-A392 PolarHBondContact O-N 3.46Å; C390-A392 VanDerWaalsContact O-N 3.11Å; A392-K396 WeakPolarHBondContact O-CG 3.32Å
393C90.9Very high88.4Confident15 Ų1575.2 Ų75.210%0.10140%0.4CS..Hα-helixtrans-83.8-40.8174.5-720000111.3F371 C372 C390 N395 K396 L397F371-C393 HydrophobicContact CB-CB 4.22Å; F371-C393 HydrophobicContact CD1-CB 4.26Å; C372-C393 VanDerWaalsContact SG-SG 3.61Å; C390-C393 PolarHBondContact O-N 3.02Å; C390-C393 PolarHBondContact SG-SG 3.05Å; C393-N395 PolarHBondContact O-N 2.86Å; C393-K396 PolarHBondContact O-N 2.99Å; C393-K396 VanDerWaalsContact O-N 3.13Å; C393-L397 WeakPolarHBondContact O-CD1 3.26Å; C393-L397 VanDerWaalsContact O-CG 3.26Å; C393-L397 WeakPolarHBondContact O-CG 3.47Å; C393-L397 PolarHBondContact O-N 3.1Å
394F90.3Very high88.4Confident24 Ų2473.6 Ų73.611%0.10540%0.395CS..Hα-helixtrans-57.5-49.8175.6-173.4-76000111K382 Q384 C390 K396 L397 F398 L399K382-F394 HydrophobicContact CB-CB 4.04Å; K382-F394 HydrophobicContact CB-CD1 4.39Å; K382-F394 HydrophobicContact CB-CD2 3.33Å; K382-F394 HydrophobicContact CB-CE2 3.81Å; K382-F394 HydrophobicContact CB-CG 3.67Å; K382-F394 HydrophobicContact CD-CB 3.85Å; K382-F394 HydrophobicContact CD-CD1 3.31Å; K382-F394 HydrophobicContact CD-CD2 3.86Å; K382-F394 HydrophobicContact CD-CE1 3.76Å; K382-F394 HydrophobicContact CD-CE2 4.22Å; K382-F394 HydrophobicContact CD-CG 3.38Å; K382-F394 HydrophobicContact CD-CZ 4.19Å; K382-F394 HydrophobicContact CG-CB 4.49Å; K382-F394 HydrophobicContact CG-CD2 4.27Å; K382-F394 HydrophobicContact CG-CG 4.17Å; Q384-F394 HydrophobicContact CB-CE2 4.03Å; C390-F394 PolarHBondContact O-N 2.92Å; F394-K396 PolarHBondContact O-N 3.25Å; F394-L397 PolarHBondContact O-N 3.13Å; F394-L397 VanDerWaalsContact O-N 3.1Å; F394-F398 HydrophobicContact CB-CD2 4.46Å; F394-F398 HydrophobicContact CD1-CB 4.31Å; F394-F398 HydrophobicContact CD1-CD2 4.32Å; F394-F398 AromaticContact CD2-CD2 3.62Å; F394-F398 HydrophobicContact CD2-CD2 3.62Å; F394-F398 HydrophobicContact CD2-CE2 4.2Å; F394-F398 HydrophobicContact CE1-CB 3.97Å; F394-F398 HydrophobicContact CE1-CD2 4.48Å; F394-F398 HydrophobicContact CE2-CB 4.5Å; F394-F398 AromaticContact CE2-CD2 3.84Å; F394-F398 HydrophobicContact CE2-CD2 3.84Å; F394-F398 HydrophobicContact CE2-CG 4.48Å; F394-F398 AromaticContact CG-CD2 3.89Å; F394-F398 HydrophobicContact CG-CD2 3.89Å; F394-F398 HydrophobicContact CZ-CB 4.08Å; F394-F398 HydrophobicContact CZ-CD2 4.26Å; F394-F398 PolarHBondContact O-N 3.47Å; F394-L399 HydrophobicContact CD1-CD1 4.25Å; F394-L399 HydrophobicContact CE1-CD1 4.2Å
395N90.5Very high88.5Confident73 Ų7374 Ų7439%0.3940%0.401SS..Hα-helixtrans-69.1-0.7-180-65.47.4000114.3K382 T391 C393 L399K382-N395 PolarHBondContact NZ-OD1 2.79Å; T391-N395 VanDerWaalsContact O-CB 3.32Å; T391-N395 WeakPolarHBondContact O-CB 3.33Å; T391-N395 PolarHBondContact O-N 2.98Å; T391-N395 PolarHBondContact O-OD1 2.88Å; C393-N395 PolarHBondContact O-N 2.86Å; N395-L399 HydrophobicContact CB-CD1 4.32Å; N395-L399 WeakPolarHBondContact OD1-CD1 3.26Å
396K90.5Very high88.6Confident175 Ų17569 Ų6976%0.76137%0.374SS*.Hα-helixtrans-110.1-9.3173.9-77-175.8176.1-167.70113.4A392 C393 F394A392-K396 WeakPolarHBondContact O-CG 3.32Å; C393-K396 PolarHBondContact O-N 2.99Å; C393-K396 VanDerWaalsContact O-N 3.13Å; F394-K396 PolarHBondContact O-N 3.25Å
397L88.5Confident89Confident74 Ų7470.6 Ų70.639%0.38737%0.365SS..Hα-helixtrans-119-25.1-172.9-66.2171.5000112.5F371 Y389 C393 F394F371-L397 HydrophobicContact CB-CD1 3.93Å; F371-L397 HydrophobicContact CD2-CD1 3.72Å; F371-L397 HydrophobicContact CD2-CD2 4.2Å; F371-L397 HydrophobicContact CE2-CD1 4.37Å; F371-L397 HydrophobicContact CE2-CD2 4.06Å; F371-L397 HydrophobicContact CG-CD1 3.83Å; Y389-L397 HydrophobicContact CD1-CD1 4.1Å; Y389-L397 HydrophobicContact CE1-CD1 3.96Å; C393-L397 WeakPolarHBondContact O-CD1 3.26Å; C393-L397 VanDerWaalsContact O-CG 3.26Å; C393-L397 WeakPolarHBondContact O-CG 3.47Å; C393-L397 PolarHBondContact O-N 3.1Å; F394-L397 PolarHBondContact O-N 3.13Å; F394-L397 VanDerWaalsContact O-N 3.1Å
398F87.8Confident89.1Confident87 Ų8766.7 Ų66.738%0.38235%0.353SS..  trans-1362.9-170.3-48.9-62000114.1Q384 Y389 F394Q384-F398 HydrophobicContact CB-CD2 4.17Å; Q384-F398 HydrophobicContact CB-CE2 3.78Å; Q384-F398 HydrophobicContact CB-CZ 3.97Å; Q384-F398 HydrophobicContact CG-CD1 4.09Å; Q384-F398 HydrophobicContact CG-CD2 4.21Å; Q384-F398 HydrophobicContact CG-CE1 3.89Å; Q384-F398 HydrophobicContact CG-CE2 4.01Å; Q384-F398 HydrophobicContact CG-CG 4.25Å; Q384-F398 HydrophobicContact CG-CZ 3.85Å; Y389-F398 HydrophobicContact CD1-CE2 4.08Å; Y389-F398 HydrophobicContact CD2-CE2 4.02Å; Y389-F398 AromaticContact CE1-CE2 3.9Å; Y389-F398 HydrophobicContact CE1-CE2 3.9Å; Y389-F398 HydrophobicContact CE1-CZ 4.09Å; Y389-F398 AromaticContact CE2-CE2 3.86Å; Y389-F398 HydrophobicContact CE2-CE2 3.86Å; Y389-F398 HydrophobicContact CE2-CZ 4.1Å; Y389-F398 HydrophobicContact CG-CE2 4.14Å; Y389-F398 AromaticContact CZ-CE2 3.8Å; Y389-F398 AromaticContact CZ-CZ 3.76Å; F394-F398 HydrophobicContact CB-CD2 4.46Å; F394-F398 HydrophobicContact CD1-CB 4.31Å; F394-F398 HydrophobicContact CD1-CD2 4.32Å; F394-F398 AromaticContact CD2-CD2 3.62Å; F394-F398 HydrophobicContact CD2-CD2 3.62Å; F394-F398 HydrophobicContact CD2-CE2 4.2Å; F394-F398 HydrophobicContact CE1-CB 3.97Å; F394-F398 HydrophobicContact CE1-CD2 4.48Å; F394-F398 HydrophobicContact CE2-CB 4.5Å; F394-F398 AromaticContact CE2-CD2 3.84Å; F394-F398 HydrophobicContact CE2-CD2 3.84Å; F394-F398 HydrophobicContact CE2-CG 4.48Å; F394-F398 AromaticContact CG-CD2 3.89Å; F394-F398 HydrophobicContact CG-CD2 3.89Å; F394-F398 HydrophobicContact CZ-CB 4.08Å; F394-F398 HydrophobicContact CZ-CD2 4.26Å; F394-F398 PolarHBondContact O-N 3.47Å
399L80.9Confident89Confident162 Ų16271.2 Ų71.285%0.84838%0.375SS*.  trans-133.50170.8-77.7157.7000107.7F394 N395F394-L399 HydrophobicContact CD1-CD1 4.25Å; F394-L399 HydrophobicContact CE1-CD1 4.2Å; N395-L399 HydrophobicContact CB-CD1 4.32Å; N395-L399 WeakPolarHBondContact OD1-CD1 3.26Å

Retrieved 399 of 399 residues in 609.3 ms (Link to these results)