A0A096NMK5_PAPAN Loading...

La ribonucleoprotein 6, translational regulator

AlphaFold DB , UniProt , Accession A0A096NMK5, Species PAPAN (Papio anubis, Olive baboon), Gene LARP6, Length 491 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
1M35.8Very low39.8Very low244 Ų244138.5 Ų138.5100%1.20286%0.855SS**  0141.40-77.5170.9157.100107.4
2A38.7Very low40.6Very low93 Ų93137.3 Ų137.377%0.76985%0.85SS**  trans62.3144.5-175.500000114.5
3Q42.2Very low40.9Very low186 Ų186141.9 Ų141.987%0.86986%0.856SS**  cis70.5142.624.2-52.2-173.422.100113.7
4S41.4Very low40.8Very low120 Ų120141.6 Ų141.684%0.83986%0.856SS**  cis-166.2176-8.743.60000107.4
5G37.8Very low40.6Very low76 Ų76138.6 Ų138.678%0.78485%0.851SS**  cis165.9159.3-4.800000111.1
6G35.9Very low40.6Very low80 Ų80137.4 Ų137.483%0.82584%0.843SS**  trans85.7167.5-178.300000114.7
7E36.4Very low40.2Very low202 Ų202137.9 Ų137.994%0.94483%0.834SS**  cis-151.1-167-15.6-166.3144.9111.500109
8A38.3Very low40.3Very low84 Ų84138.7 Ų138.769%0.69483%0.831SS**  trans-135.2169.7-157.800000117.4
9R42.7Very low40.2Very low238 Ų238142.2 Ų142.290%0.89883%0.828SS**  trans78.3165.2164.4-64.1-176.5167.8-160.4-3.4117.3
10P52.8Low40.1Very low127 Ų127141.1 Ų141.183%0.82582%0.823SS**  cis-142.7175.6-49.241.2-26000115.4
11G35.4Very low39.8Very low73 Ų73139.2 Ų139.275%0.75382%0.824SS**  trans113.7175.4143.100000117.5
12P50.2Low39.9Very low124 Ų124135.1 Ų135.181%0.80581%0.805SS**  cis-110.4161.4-14.838.6-28.6000113
13E43.7Very low40Very low198 Ų198139.2 Ų139.293%0.92581%0.809SS**  trans-83145.7169.2-61.3174.2131.300110.8
14T40.6Very low39.7Very low138 Ų138139.3 Ų139.385%0.84781%0.809SS**  trans-131.4125.8164.953.20000109.8
15A36.4Very low39.7Very low96 Ų96137.9 Ų137.979%0.79380%0.804SS**  trans-90.4143.9-167.300000114.5
16V40.9Very low40.1Very low119 Ų119143.5 Ų143.572%0.72181%0.81SS**  trans15.3121.7145.7-170.70000118.3I18V16-I18 HydrophobicContact CG1-CG1 4.16Å
17Q34.2Very low40.2Very low147 Ų147147 Ų14769%0.68781%0.81SS**  trans-132.3104.2137.4-78.7-163.6-4.900110.3
18I41.4Very low40.7Very low152 Ų152144.4 Ų144.478%0.77981%0.807SS**  trans-80.5126.8160.8-63.6169.5000106.4V16V16-I18 HydrophobicContact CG1-CG1 4.16Å
19R38.5Very low40.7Very low205 Ų205147.4 Ų147.477%0.77481%0.812SS**  trans-108.8115.7175.5-65.5-171.2178.1-161.5-0.5109.4
20V38.3Very low40.6Very low119 Ų119144.7 Ų144.772%0.72181%0.809SS**  trans-80.1136.4171.2-175.60000107.8I22V20-I22 HydrophobicContact CG1-CD1 4.45Å; V20-I22 HydrophobicContact CG1-CG1 4.03Å
21A34.8Very low40.1Very low103 Ų103145.2 Ų145.285%0.85181%0.805SS**  trans-100.1129.5167.700000108.9
22I37.3Very low40.3Very low157 Ų157151.1 Ų151.181%0.80581%0.813SS**  trans-123.4151.3173.8-61.8-179.8000107V20V20-I22 HydrophobicContact CG1-CD1 4.45Å; V20-I22 HydrophobicContact CG1-CG1 4.03Å
23Q41.5Very low39.7Very low180 Ų180151.3 Ų151.384%0.84181%0.807SS**  trans-85.8137.2-178.2-68.2166.8-9300112.4
24E35.2Very low39.7Very low187 Ų187150.6 Ų150.687%0.87480%0.803SS**  trans-150132.2143-97.3148.9-174.200103.6
25A42.2Very low39.7Very low90 Ų90152.5 Ų152.574%0.74480%0.803SS**  cis79.389.745.800000112.1
26E44.6Very low39.9Very low195 Ų195154.7 Ų154.791%0.91180%0.797SS**  trans-135.4135159-72.8-170.1135.500108
27D39.9Very low39.4Very low154 Ų154152.2 Ų152.282%0.82480%0.795SS**  trans-93.3155.2-179-52.2-82.8000111.2
28V46.6Very low39.4Very low146 Ų146149.1 Ų149.189%0.88580%0.795SS**  trans-140.7107.7166.6-177.70000109.4
29D37.4Very low39Very low148 Ų148148 Ų14879%0.79179%0.786SS**  trans-93.4146164.1-78.5-61.5000110.5
30E40.3Very low38.8Very low180 Ų180145.3 Ų145.384%0.84179%0.793SS**  trans173.4120.5146.4-96169.8-17800106.1
31L42.3Very low38.6Very low139 Ų139149.6 Ų149.673%0.72880%0.796SS**  65.8146.266.6-57.3173.9000112.2D33L31-D33 WeakPolarHBondContact CD2-OD2 3.35Å
32E40.3Very low38.3Very low197 Ų197148.7 Ų148.792%0.92180%0.797SS**  cis-108.6-172.615.1-54173107.400114.5
33D38.1Very low38.2Very low127 Ų127146.6 Ų146.668%0.67980%0.803SS**  trans-129.1-141.6-159.7-60.3-97000114.9L31L31-D33 WeakPolarHBondContact CD2-OD2 3.35Å
34E42.3Very low37.6Very low183 Ų183141.4 Ų141.486%0.85580%0.798SS**  trans73.4142.8178.2-47.3-69.469.500117.2
35E41.4Very low37.5Very low178 Ų178140.6 Ų140.683%0.83280%0.799SS**  cis-144.9179.7-0.7-145.9-165.3159.600106.3
36E39.5Very low38Very low143 Ų143141.6 Ų141.667%0.66880%0.798SS**  cis-159.4156.95.9-176.1-85.6138.100105.9A38E36-A38 PolarHBondContact OE1-N 3.14Å
37G31Very low37.6Very low66 Ų66136.6 Ų136.668%0.6879%0.79SS**  cis172.8-83.1-7.900000112.4
38A35.3Very low37.3Very low83 Ų83141.1 Ų141.169%0.68680%0.796SS**  trans-81.6119.1-167.400000115.1E36E36-A38 PolarHBondContact OE1-N 3.14Å
39E32.8Very low36.8Very low127 Ų127145 Ų14559%0.59380%0.796SS**  71.8117.570-83.7-127.577.600116.9R41E39-R41 IonicContact OE1-CZ 3.51Å; E39-R41 IonicContact OE1-NE 3.84Å; E39-R41 IonicContact OE1-NH1 2.69Å; E39-R41 PolarHBondContact OE1-NH1 3.46Å; E39-R41 IonicContact OE2-NH1 3.05Å; E39-R41 PolarHBondContact OE2-NH1 2.79Å
40T34.1Very low36.6Very low149 Ų149145.6 Ų145.691%0.91480%0.798SS**  -157.8145.5120.140000111.5
41R33.8Very low36.4Very low210 Ų210142.2 Ų142.279%0.79280%0.795SS**  trans-99151.4-174.7-68164156.8112.7-14.5112.2E39E39-R41 IonicContact OE1-CZ 3.51Å; E39-R41 IonicContact OE1-NE 3.84Å; E39-R41 IonicContact OE1-NH1 2.69Å; E39-R41 PolarHBondContact OE1-NH1 3.46Å; E39-R41 IonicContact OE2-NH1 3.05Å; E39-R41 PolarHBondContact OE2-NH1 2.79Å
42G29.1Very low36.6Very low84 Ų84141.6 Ų141.687%0.86680%0.799SS**  trans-165125.7167.800000112.3
43A33.7Very low35.9Very low113 Ų113135.7 Ų135.793%0.93479%0.791SS**  trans-136.8155.8-177.900000111.1
44G30.3Very low35.6Very low71 Ų71142.5 Ų142.573%0.73281%0.807SS**  trans151.290.116700000117.2
45D33Very low34.8Very low170 Ų170137 Ų13791%0.90980%0.8SS**  trans49.1160.5145.2-86.6-42.4000124
46P53Low34.3Very low110 Ų110134.2 Ų134.271%0.71480%0.8SS**  trans-108.6179.4-167.442.8-38000116.1
47A35.2Very low33.8Very low90 Ų90132 Ų13274%0.74481%0.807SS**  trans66.6109.6152.100000119.3
48R33Very low33.9Very low250 Ų250133.4 Ų133.494%0.94381%0.806SS**  trans-136135142-67.9-164.9176.5177.51.5111.7
49Y35.9Very low33.7Very low227 Ų227138.4 Ų138.489%0.8982%0.815SS**  trans-57.4152.6160.5-101.1-123.8000110.5
50L34.8Very low33.7Very low161 Ų161141.3 Ų141.384%0.84383%0.829SS**  trans-167.4122133.7-106.8166.1000111.8
51S36.2Very low33.9Very low109 Ų109141 Ų14176%0.76282%0.817SS**  trans-115.1138.2150.3-55.20000106.7
52P45.3Very low34.3Very low125 Ų125136.8 Ų136.881%0.81282%0.816SS**  -141.9176.510335.6-19.6000112
53G26.8Very low34.7Very low73 Ų73136.8 Ų136.875%0.75380%0.803SS**  cis-180172.6-1.100000112.5
54W30.3Very low34.9Very low270 Ų270143.6 Ų143.6100%1.02381%0.805SS**  trans-47.4146.9-171.4-109.5-74.5000119.9
55G26.7Very low34.9Very low69 Ų69143.9 Ų143.971%0.71181%0.808SS**  trans134.9150.3141.500000116.2
56S30.6Very low35.2Very low118 Ų118145 Ų14583%0.82581%0.807SS**  cis-169.5142.4-20.7-160.90000111.1
57A28.3Very low34.3Very low98 Ų98146 Ų14681%0.8182%0.816SS**  trans59.5166.7171.600000116.6
58S32.9Very low34.2Very low95 Ų95145.3 Ų145.366%0.66482%0.819SS**  cis-144.8133.8-152.90000112.2
59E31.6Very low34.5Very low188 Ų188140.1 Ų140.188%0.87982%0.815SS**  34.4120.7127.2-53178.1111.400121.6
60E33Very low34.6Very low188 Ų188135.9 Ų135.988%0.87981%0.813SS**  -158.9146.610666178.1141.600113.2
61E38Very low34.9Very low143 Ų143133.3 Ų133.367%0.66882%0.815SS**  trans-154.8131171.3-151.9-80.1164.700108S63E61-S63 PolarHBondContact OE1-OG 3.25Å; E61-S63 WeakPolarHBondContact OE2-CB 3.21Å; E61-S63 PolarHBondContact OE2-N 2.94Å; E61-S63 PolarHBondContact OE2-OG 3.07Å
62P41.9Very low35.1Very low120 Ų120133.9 Ų133.978%0.77982%0.819SS**  trans-130.678.716937.2-23.6000114R64P62-R64 PolarHBondContact O-N 2.85Å
63S38.2Very low34.8Very low85 Ų85131.3 Ų131.359%0.59482%0.815SS**  trans-65.4109.6163.2-80.90000113E61E61-S63 PolarHBondContact OE1-OG 3.25Å; E61-S63 WeakPolarHBondContact OE2-CB 3.21Å; E61-S63 PolarHBondContact OE2-N 2.94Å; E61-S63 PolarHBondContact OE2-OG 3.07Å
64R37.6Very low35.2Very low255 Ų255131.4 Ų131.496%0.96282%0.816SS**  trans-179140.9149.1-105.3158.6-173.3-163.12.9114.7P62P62-R64 PolarHBondContact O-N 2.85Å
65G29.5Very low36Very low77 Ų77127.5 Ų127.579%0.79481%0.809SS**  trans156105.6161.900000115.6
66H40.2Very low36.7Very low193 Ų193131.7 Ų131.789%0.89482%0.815SS**  trans-106133.1160.8-98.952.9000108.4
67S33.9Very low37.7Very low131 Ų131135.5 Ų135.592%0.91682%0.82SS**  trans159.9161.4137.3-77.90000112.6
68G33Very low38.7Very low77 Ų77141.7 Ų141.779%0.79482%0.822SS**  trans108.9108.9154.400000115
69T40.5Very low39.5Very low140 Ų140146.7 Ų146.786%0.85984%0.835SS**  trans-99.5128.9156-169.70000108.2
70T37.2Very low40.2Very low138 Ų138143.7 Ų143.785%0.84783%0.825SS**  trans-143.1139.9168.146.80000108.6
71A41.9Very low41Very low107 Ų107142.7 Ų142.788%0.88483%0.825SS**  trans-111.9115.8-179.300000110.5
72S38.6Very low41.6Very low121 Ų121144.9 Ų144.985%0.84684%0.835SS**  trans-159.4139.5156.1-148.40000105.8
73G39.8Very low42.1Very low71 Ų71146.5 Ų146.573%0.73283%0.832SS**  cis91.980.923.200000108
74G36Very low43Very low75 Ų75149.4 Ų149.477%0.77384%0.837SS**  trans173.578.6-166.800000111.7
75E46.6Very low44.3Very low188 Ų188141.5 Ų141.588%0.87981%0.807SS**  trans-40.2123.9177.5-61.4158.2-147.700114.8
76N41.4Very low46.3Very low157 Ų157145.1 Ų145.184%0.8480%0.801SS**  trans-163.543.7161.4-106.7-19.9000113.7R78N76-R78 VanDerWaalsContact C-N 3.29Å; N76-R78 PolarHBondContact O-N 2.75Å; N76-R78 VanDerWaalsContact O-N 3.13Å
77E50.7Low47.7Very low198 Ų198140.4 Ų140.493%0.92579%0.787SS**  trans-85.439.3-175.9-58.8-174.9114.900114.3
78R49.9Very low49.8Very low229 Ų229135.2 Ų135.286%0.86475%0.75SS**SBendtrans-136.817.7-168.1-61.1-170.4-167.9-119.61117.3N76N76-R78 VanDerWaalsContact C-N 3.29Å; N76-R78 PolarHBondContact O-N 2.75Å; N76-R78 VanDerWaalsContact O-N 3.13Å
79E49.3Very low52.2Low199 Ų199136.9 Ų136.993%0.9374%0.741SS**SBendtrans-142.543.4178.9-123.5161.7-120.600113.8
80D47.1Very low54.3Low126 Ų126136.6 Ų136.667%0.67473%0.73SS**  trans-133.248.5172.8-170.529.5000111.7
81L49.2Very low56.8Low167 Ų167136.1 Ų136.187%0.87472%0.718SS**SBendtrans-107.1-11.5178.9-77.9176.8000114.5
82E52.1Low59Low188 Ų188133.5 Ų133.588%0.87969%0.689SS**  trans-121.567.8173-63.8-164.7165.900110.4E84E82-E84 PolarHBondContact O-N 2.96Å
83Q52.4Low61.5Low154 Ų154128.5 Ų128.572%0.7265%0.653SS**  trans-62.492.6157.9-172.9120.7111.900108.2W85Q83-W85 PolarHBondContact O-N 3.05Å
84E56.2Low63.9Low147 Ų147130.4 Ų130.469%0.68764%0.641SS**  trans-31.6103.7178.6-177.679-92.500110.8E82 K86E82-E84 PolarHBondContact O-N 2.96Å; E84-K86 HydrophobicContact CB-CG 4.46Å; E84-K86 HydrophobicContact CG-CD 4.45Å; E84-K86 HydrophobicContact CG-CG 3.64Å; E84-K86 PolarHBondContact O-N 3.05Å
85W64.8Low66.6Low88 Ų88130.9 Ų130.933%0.33362%0.621SS.*  trans-75.484.5174.3177.573.4000107.3Q83 P87 R146 T147 H150Q83-W85 PolarHBondContact O-N 3.05Å; W85-P87 HydrophobicContact CH2-CB 4.32Å; W85-R146 HydrophobicContact CG-CB 4.5Å; W85-T147 PolarHBondContact NE1-OG1 2.69Å; W85-T147 VanDerWaalsContact NE1-OG1 3.16Å; W85-H150 HydrophobicContact CH2-CB 3.59Å; W85-H150 AromaticContact CH2-CD2 3.72Å; W85-H150 AromaticContact CH2-CE1 3.85Å; W85-H150 AromaticContact CH2-CG 3.31Å; W85-H150 AromaticContact CH2-ND1 3.4Å; W85-H150 WeakPolarHBondContact CH2-ND1 3.44Å; W85-H150 HydrophobicContact CZ2-CB 3.61Å; W85-H150 AromaticContact CZ2-CG 3.83Å
86K72Confident68.8Low154 Ų154122 Ų12267%0.6758%0.58SS**PPolyproline II helixtrans-63.4136.2175.2-63.8-170.6177.7-173.90108.9E84E84-K86 HydrophobicContact CB-CG 4.46Å; E84-K86 HydrophobicContact CG-CD 4.45Å; E84-K86 HydrophobicContact CG-CG 3.64Å; E84-K86 PolarHBondContact O-N 3.05Å
87P69.9Low71.2Confident93 Ų93115.1 Ų115.160%0.60454%0.544SS*.PPolyproline II helixtrans-58.5132.9171.625.8-33.1000108.6W85W85-P87 HydrophobicContact CH2-CB 4.32Å
88P76.4Confident73.2Confident22 Ų22109.8 Ų109.814%0.14352%0.522CS..PPolyproline II helixtrans-6715717930.7-38.9000111.3E90 L92 I93 T147P88-E90 PolarHBondContact O-N 2.97Å; P88-L92 HydrophobicContact CB-CB 4.47Å; P88-I93 HydrophobicContact CB-CG1 4.48Å; P88-I93 HydrophobicContact CG-CD1 4.02Å; P88-I93 HydrophobicContact CG-CG1 3.65Å; P88-T147 HydrophobicContact CB-CG2 3.56Å; P88-T147 HydrophobicContact CG-CG2 3.51Å
89D83.8Confident75.3Confident113 Ų113101.3 Ų101.360%0.60449%0.492SS*.PPolyproline II helixtrans-52.9139.7174.4-47.4-58.6000111.2E91 L92 I93D89-E91 PolarHBondContact O-N 2.88Å; D89-E91 VanDerWaalsContact O-N 3.09Å; D89-L92 HydrophobicContact CB-CD1 4.29Å; D89-L92 HydrophobicContact CB-CG 4.25Å; D89-L92 WeakPolarHBondContact O-CA 3.45Å; D89-L92 WeakPolarHBondContact O-CB 3.37Å; D89-L92 PolarHBondContact O-N 2.92Å; D89-L92 WeakPolarHBondContact OD2-CD1 3.48Å; D89-I93 PolarHBondContact O-N 3.45Å
90E85.8Confident77.3Confident133 Ų13391.9 Ų91.962%0.62145%0.448SS*.Hα-helixtrans-57.1-31.1-178.8-68.3-169.4-167.100113.2P88 L92 I93 K94P88-E90 PolarHBondContact O-N 2.97Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-I93 WeakPolarHBondContact O-CB 3.42Å; E90-I93 PolarHBondContact O-N 3.21Å; E90-K94 WeakPolarHBondContact O-CB 3.19Å; E90-K94 WeakPolarHBondContact O-CD 3.43Å; E90-K94 VanDerWaalsContact O-CG 3.27Å; E90-K94 WeakPolarHBondContact O-CG 3.37Å; E90-K94 PolarHBondContact O-N 2.89Å; E90-K94 IonicContact OE2-NZ 3.91Å; E90-K94 PolarHBondContact OE2-NZ 2.95Å
91E88.3Confident79.5Confident128 Ų12888.1 Ų88.160%0.59843%0.426SS*.Hα-helixtrans-61.1-40.1172.7-78.9-162.7-14200112.7D89 K95D89-E91 PolarHBondContact O-N 2.88Å; D89-E91 VanDerWaalsContact O-N 3.09Å; E91-K95 WeakPolarHBondContact O-CB 3.23Å; E91-K95 WeakPolarHBondContact O-CD 3.45Å; E91-K95 WeakPolarHBondContact O-CG 3.42Å; E91-K95 PolarHBondContact O-N 3.44Å; E91-K95 IonicContact OE2-NZ 2.68Å; E91-K95 PolarHBondContact OE2-NZ 2.93Å
92L88.7Confident81.5Confident52 Ų5284.9 Ų84.927%0.27241%0.405SS..Hα-helixtrans-72.4-36177-63.3176.4000110.7P88 D89 E90 L96P88-L92 HydrophobicContact CB-CB 4.47Å; D89-L92 HydrophobicContact CB-CD1 4.29Å; D89-L92 HydrophobicContact CB-CG 4.25Å; D89-L92 WeakPolarHBondContact O-CA 3.45Å; D89-L92 WeakPolarHBondContact O-CB 3.37Å; D89-L92 PolarHBondContact O-N 2.92Å; D89-L92 WeakPolarHBondContact OD2-CD1 3.48Å; E90-L92 VanDerWaalsContact C-N 3.32Å; L92-L96 VanDerWaalsContact O-CB 3.24Å; L92-L96 WeakPolarHBondContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CD1 3.39Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 3.42Å
93I90.3Very high83.3Confident16 Ų1677.1 Ų77.18%0.08237%0.368CS..Hα-helixtrans-58-53.9171.5-66.9177.1000110.4P88 D89 E90 L96 V97 A151 Y154P88-I93 HydrophobicContact CB-CG1 4.48Å; P88-I93 HydrophobicContact CG-CD1 4.02Å; P88-I93 HydrophobicContact CG-CG1 3.65Å; D89-I93 PolarHBondContact O-N 3.45Å; E90-I93 WeakPolarHBondContact O-CB 3.42Å; E90-I93 PolarHBondContact O-N 3.21Å; I93-L96 WeakPolarHBondContact O-CB 3.2Å; I93-L96 PolarHBondContact O-N 2.89Å; I93-L96 VanDerWaalsContact O-N 3.16Å; I93-V97 WeakPolarHBondContact O-CG2 3.36Å; I93-V97 PolarHBondContact O-N 3.49Å; I93-A151 HydrophobicContact CB-CB 4.37Å; I93-A151 HydrophobicContact CG1-CB 4.38Å; I93-A151 HydrophobicContact CG2-CB 4.09Å; I93-Y154 HydrophobicContact CD1-CE2 4.19Å; I93-Y154 HydrophobicContact CG2-CD2 3.82Å; I93-Y154 HydrophobicContact CG2-CE2 4.45Å; I93-Y154 HydrophobicContact CG2-CG 4.25Å
94K91.5Very high85Confident112 Ų11269.9 Ų69.949%0.48733%0.334SS..Hα-helixtrans-57.7-53.3-179.9-69.8158.4-167.7163.10110.2E90 L96 V97 D98E90-K94 WeakPolarHBondContact O-CB 3.19Å; E90-K94 WeakPolarHBondContact O-CD 3.43Å; E90-K94 VanDerWaalsContact O-CG 3.27Å; E90-K94 WeakPolarHBondContact O-CG 3.37Å; E90-K94 PolarHBondContact O-N 2.89Å; E90-K94 IonicContact OE2-NZ 3.91Å; E90-K94 PolarHBondContact OE2-NZ 2.95Å; K94-L96 VanDerWaalsContact C-N 3.27Å; K94-L96 PolarHBondContact O-N 3.5Å; K94-V97 PolarHBondContact O-N 2.86Å; K94-D98 PolarHBondContact O-N 3.28Å
95K92.8Very high86.5Confident84 Ų8464.5 Ų64.537%0.36531%0.313SS..Hα-helixtrans-57.9-33.6176.6-66.9161.5-160.9170.90113.4E91 Q99 L141E91-K95 WeakPolarHBondContact O-CB 3.23Å; E91-K95 WeakPolarHBondContact O-CD 3.45Å; E91-K95 WeakPolarHBondContact O-CG 3.42Å; E91-K95 PolarHBondContact O-N 3.44Å; E91-K95 IonicContact OE2-NZ 2.68Å; E91-K95 PolarHBondContact OE2-NZ 2.93Å; K95-Q99 WeakPolarHBondContact O-CG 3.29Å; K95-Q99 PolarHBondContact O-N 3.44Å; K95-L141 HydrophobicContact CB-CD1 4.09Å; K95-L141 HydrophobicContact CB-CD2 4.32Å; K95-L141 WeakPolarHBondContact O-CD1 3.39Å
96L92.4Very high87.5Confident1 Ų163.5 Ų63.51%0.00531%0.314CS..Hα-helixtrans-72.2-43.7174.9-81167000112.3L92 I93 K94 I100 V138 L141 T147 A151L92-L96 VanDerWaalsContact O-CB 3.24Å; L92-L96 WeakPolarHBondContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CD1 3.39Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 3.42Å; I93-L96 WeakPolarHBondContact O-CB 3.2Å; I93-L96 PolarHBondContact O-N 2.89Å; I93-L96 VanDerWaalsContact O-N 3.16Å; K94-L96 VanDerWaalsContact C-N 3.27Å; K94-L96 PolarHBondContact O-N 3.5Å; L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 VanDerWaalsContact O-CG1 3.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.19Å; L96-I100 PolarHBondContact O-N 3.45Å; L96-I100 VanDerWaalsContact O-N 3.15Å; L96-V138 HydrophobicContact CD2-CG1 3.75Å; L96-L141 HydrophobicContact CD2-CB 4.07Å; L96-L141 HydrophobicContact CD2-CD1 4.06Å; L96-L141 HydrophobicContact CG-CB 4.44Å; L96-L141 HydrophobicContact CG-CD1 4.23Å; L96-T147 HydrophobicContact CD1-CG2 4.45Å; L96-A151 HydrophobicContact CB-CB 3.8Å; L96-A151 HydrophobicContact CD1-CB 3.95Å
97V92.3Very high88.1Confident14 Ų1462.3 Ų62.39%0.08531%0.311CS..Hα-helixtrans-61.1-55175170.50000109.6I93 K94 Q99 I100 E101 A151I93-V97 WeakPolarHBondContact O-CG2 3.36Å; I93-V97 PolarHBondContact O-N 3.49Å; K94-V97 PolarHBondContact O-N 2.86Å; V97-Q99 VanDerWaalsContact C-N 3.28Å; V97-Q99 PolarHBondContact O-N 3.2Å; V97-I100 PolarHBondContact O-N 2.93Å; V97-E101 HydrophobicContact CG1-CG 4.05Å; V97-E101 PolarHBondContact O-N 3.31Å; V97-A151 HydrophobicContact CG2-CB 4.47Å; V97-A151 WeakPolarHBondContact CG2-O 3.3Å
98D92.7Very high89Confident86 Ų8659.1 Ų59.146%0.4629%0.289SS..Hα-helixtrans-51.9-45.3-178.7-57.8-26.9000112.1K94 F102K94-D98 PolarHBondContact O-N 3.28Å; D98-F102 WeakPolarHBondContact O-CB 3.26Å; D98-F102 PolarHBondContact O-N 3.36Å
99Q93.1Very high89.4Confident51 Ų5158 Ų5824%0.23828%0.282CS..Hα-helixtrans-73.1-31.5-179.5-67.3-42.7-71.100113.2K95 V97 Y103 K137 L141K95-Q99 WeakPolarHBondContact O-CG 3.29Å; K95-Q99 PolarHBondContact O-N 3.44Å; V97-Q99 VanDerWaalsContact C-N 3.28Å; V97-Q99 PolarHBondContact O-N 3.2Å; Q99-Y103 WeakPolarHBondContact O-CD2 3.33Å; Q99-Y103 PolarHBondContact O-N 3.22Å; Q99-K137 HydrophobicContact CG-CD 4.39Å; Q99-L141 HydrophobicContact CG-CD1 4.34Å
100I92.1Very high89.2Confident0 Ų056.2 Ų56.20%027%0.27CS..Hα-helixtrans-82.5-38.6-179.7-62.2169.1000110.9L96 V97 F102 Y103 F104 L132 V138 T148 L152 L158L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 VanDerWaalsContact O-CG1 3.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.19Å; L96-I100 PolarHBondContact O-N 3.45Å; L96-I100 VanDerWaalsContact O-N 3.15Å; V97-I100 PolarHBondContact O-N 2.93Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.16Å; I100-Y103 PolarHBondContact O-N 3.21Å; I100-Y103 VanDerWaalsContact O-N 3.15Å; I100-F104 HydrophobicContact CG2-CD2 3.78Å; I100-F104 HydrophobicContact CG2-CE2 3.85Å; I100-F104 VanDerWaalsContact O-CD2 3.32Å; I100-F104 WeakPolarHBondContact O-CD2 3.43Å; I100-F104 PolarHBondContact O-N 3.02Å; I100-L132 HydrophobicContact CG2-CD1 4.05Å; I100-V138 HydrophobicContact CD1-CG1 4.43Å; I100-V138 HydrophobicContact CD1-CG2 4.38Å; I100-V138 HydrophobicContact CG1-CG2 3.95Å; I100-T148 HydrophobicContact CD1-CG2 3.37Å; I100-L152 HydrophobicContact CB-CD2 4.12Å; I100-L152 HydrophobicContact CD1-CD1 4.18Å; I100-L152 HydrophobicContact CD1-CD2 4.13Å; I100-L152 HydrophobicContact CD1-CG 4.25Å; I100-L152 HydrophobicContact CG2-CD2 3.82Å; I100-L158 HydrophobicContact CG2-CD1 3.77Å
101E92Very high89Confident47 Ų4756.4 Ų56.422%0.2227%0.268CS..Hα-helixtrans-61.6-39.8168-67.9-166.6157.200110.7V97 Y103 F104 S105 S155 V156 V157 L158V97-E101 HydrophobicContact CG1-CG 4.05Å; V97-E101 PolarHBondContact O-N 3.31Å; E101-Y103 PolarHBondContact O-N 3.42Å; E101-F104 CarbonylContact O-C 3.5Å; E101-F104 PolarHBondContact O-N 3.46Å; E101-S105 PolarHBondContact O-N 3.4Å; E101-S155 WeakPolarHBondContact OE1-CA 3.32Å; E101-S155 WeakPolarHBondContact OE1-CB 3.29Å; E101-V156 PolarHBondContact OE1-N 3.12Å; E101-V156 VanDerWaalsContact OE1-N 3.14Å; E101-V157 HydrophobicContact CG-CB 4.27Å; E101-V157 WeakPolarHBondContact OE1-CB 3.4Å; E101-V157 PolarHBondContact OE1-N 3.22Å; E101-L158 HydrophobicContact CG-CD1 3.83Å; E101-L158 HydrophobicContact CG-CG 4.09Å
102F91.8Very high88.8Confident99 Ų9952.3 Ų52.343%0.43425%0.25SS..Hα-helixtrans-59.1-45168.9177.5-88.2000112.6D98 I100 F104 S105 N108D98-F102 WeakPolarHBondContact O-CB 3.26Å; D98-F102 PolarHBondContact O-N 3.36Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.16Å; F102-F104 VanDerWaalsContact C-N 3.27Å; F102-F104 PolarHBondContact O-N 3.3Å; F102-S105 VanDerWaalsContact O-CB 3.27Å; F102-S105 WeakPolarHBondContact O-CB 3.3Å; F102-S105 PolarHBondContact O-N 3.32Å; F102-S105 VanDerWaalsContact O-N 3.14Å; F102-S105 PolarHBondContact O-OG 3.11Å; F102-N108 HydrophobicContact CE1-CB 4.35Å; F102-N108 WeakPolarHBondContact O-CB 3.25Å
103Y89.9Confident88.5Confident25 Ų2553 Ų5310%0.09826%0.264CS..Hα-helixtrans-62.2-35176.9-81.7-58.7000112.5Q99 I100 E101 N108 L115 F135 K137 V138Q99-Y103 WeakPolarHBondContact O-CD2 3.33Å; Q99-Y103 PolarHBondContact O-N 3.22Å; I100-Y103 PolarHBondContact O-N 3.21Å; I100-Y103 VanDerWaalsContact O-N 3.15Å; E101-Y103 PolarHBondContact O-N 3.42Å; Y103-N108 PolarHBondContact O-ND2 2.96Å; Y103-L115 WeakPolarHBondContact O-CD2 3.49Å; Y103-F135 HydrophobicContact CD1-CD2 4.08Å; Y103-F135 HydrophobicContact CD1-CE2 4.41Å; Y103-F135 AromaticContact CD2-CD2 3.94Å; Y103-F135 HydrophobicContact CD2-CD2 3.94Å; Y103-F135 HydrophobicContact CE1-CD2 4.11Å; Y103-F135 HydrophobicContact CE2-CB 4.12Å; Y103-F135 AromaticContact CE2-CD2 3.99Å; Y103-F135 HydrophobicContact CE2-CD2 3.99Å; Y103-F135 HydrophobicContact CG-CD2 4.01Å; Y103-F135 HydrophobicContact CG-CE2 4.38Å; Y103-K137 HydrophobicContact CE2-CB 4.18Å; Y103-K137 WeakPolarHBondContact OH-CB 3.37Å; Y103-K137 WeakPolarHBondContact OH-CG 3.48Å; Y103-K137 PolarHBondContact OH-N 2.77Å; Y103-V138 HydrophobicContact CD2-CG2 4.26Å; Y103-V138 HydrophobicContact CE2-CG2 3.89Å
104F88.8Confident88.3Confident3 Ų357.4 Ų57.41%0.01328%0.283CS..Hα-helixtrans-86.4-3.1175.6-79.7-72000114.4I100 E101 F102 L109 L115 V119 V127 L132 L158 V167 R169I100-F104 HydrophobicContact CG2-CD2 3.78Å; I100-F104 HydrophobicContact CG2-CE2 3.85Å; I100-F104 VanDerWaalsContact O-CD2 3.32Å; I100-F104 WeakPolarHBondContact O-CD2 3.43Å; I100-F104 PolarHBondContact O-N 3.02Å; E101-F104 CarbonylContact O-C 3.5Å; E101-F104 PolarHBondContact O-N 3.46Å; F102-F104 VanDerWaalsContact C-N 3.27Å; F102-F104 PolarHBondContact O-N 3.3Å; F104-L109 HydrophobicContact CD1-CD2 4.4Å; F104-L109 WeakPolarHBondContact O-CD1 3.46Å; F104-L115 HydrophobicContact CE1-CD1 4.18Å; F104-L115 HydrophobicContact CZ-CD1 4.22Å; F104-V119 HydrophobicContact CE1-CG2 3.98Å; F104-V127 HydrophobicContact CE1-CG2 4Å; F104-V127 HydrophobicContact CZ-CB 4.02Å; F104-V127 HydrophobicContact CZ-CG2 3.93Å; F104-L132 HydrophobicContact CE2-CD1 3.83Å; F104-L132 HydrophobicContact CE2-CD2 3.91Å; F104-L132 HydrophobicContact CZ-CD1 4.29Å; F104-L132 HydrophobicContact CZ-CD2 4.2Å; F104-L158 HydrophobicContact CB-CD2 3.8Å; F104-L158 HydrophobicContact CD2-CD1 3.83Å; F104-L158 HydrophobicContact CD2-CD2 3.8Å; F104-L158 HydrophobicContact CE2-CD1 4.46Å; F104-L158 HydrophobicContact CG-CD2 3.8Å; F104-V167 HydrophobicContact CE2-CG1 3.93Å; F104-V167 HydrophobicContact CZ-CG1 4.05Å; F104-R169 HydrophobicContact CB-CG 3.98Å; F104-R169 HydrophobicContact CD1-CG 4.04Å; F104-R169 HydrophobicContact CG-CG 4.23Å; F104-R169 WeakPolarHBondContact O-CD 3.25Å; F104-R169 PolarHBondContact O-NH1 2.86Å
105S88.3Confident88.1Confident34 Ų3452 Ų5224%0.23826%0.259CS..SBendtrans-57.3153.5174.969.20000111.6E101 F102 E107 N108 L109E101-S105 PolarHBondContact O-N 3.4Å; F102-S105 VanDerWaalsContact O-CB 3.27Å; F102-S105 WeakPolarHBondContact O-CB 3.3Å; F102-S105 PolarHBondContact O-N 3.32Å; F102-S105 VanDerWaalsContact O-N 3.14Å; F102-S105 PolarHBondContact O-OG 3.11Å; S105-E107 VanDerWaalsContact C-N 3.35Å; S105-E107 PolarHBondContact O-N 3.42Å; S105-N108 PolarHBondContact O-N 2.93Å; S105-N108 WeakPolarHBondContact OG-CB 2.96Å; S105-N108 PolarHBondContact OG-N 3.03Å; S105-L109 WeakPolarHBondContact O-CG 3.48Å; S105-L109 PolarHBondContact O-N 3.19Å
106D84.7Confident87.7Confident66 Ų6648.3 Ų48.335%0.35324%0.244SC..Hα-helixtrans-62.2-43.3-178.1-68-54.7000112.1N108 L109 E110 R169 P174 F176D106-N108 VanDerWaalsContact C-N 3.34Å; D106-N108 PolarHBondContact O-N 2.83Å; D106-L109 PolarHBondContact O-N 3.39Å; D106-E110 WeakPolarHBondContact O-CB 3.44Å; D106-E110 PolarHBondContact O-N 2.74Å; D106-R169 IonicContact OD1-CZ 3.39Å; D106-R169 VanDerWaalsContact OD1-CZ 3.24Å; D106-R169 IonicContact OD1-NH1 2.67Å; D106-R169 PolarHBondContact OD1-NH1 3.04Å; D106-R169 IonicContact OD1-NH2 3.3Å; D106-R169 PolarHBondContact OD1-NH2 3.33Å; D106-R169 IonicContact OD2-CZ 2.71Å; D106-R169 IonicContact OD2-NH1 2.74Å; D106-R169 IonicContact OD2-NH2 2.75Å; D106-R169 PolarHBondContact OD2-NH2 2.76Å; D106-P174 WeakPolarHBondContact OD1-CD 3.27Å; D106-P174 VanDerWaalsContact OD1-CG 3.23Å; D106-P174 WeakPolarHBondContact OD1-CG 3.22Å; D106-F176 HydrophobicContact CB-CE1 4.22Å; D106-F176 HydrophobicContact CB-CZ 4.04Å; D106-F176 WeakPolarHBondContact O-CE1 3.49Å; D106-F176 VanDerWaalsContact O-CZ 3.29Å; D106-F176 WeakPolarHBondContact O-CZ 3.28Å
107E85.4Confident87.4Confident129 Ų12955.4 Ų55.460%0.60327%0.274SS*.Hα-helixtrans-56.1-42.2172.3-76.8-162.6-122.100113.9S105 K111S105-E107 VanDerWaalsContact C-N 3.35Å; S105-E107 PolarHBondContact O-N 3.42Å; E107-K111 WeakPolarHBondContact O-CD 3.34Å; E107-K111 VanDerWaalsContact O-CE 3.3Å; E107-K111 WeakPolarHBondContact O-CE 3.25Å; E107-K111 WeakPolarHBondContact O-CG 3.35Å; E107-K111 PolarHBondContact O-N 3.33Å; E107-K111 IonicContact OE2-NZ 2.94Å; E107-K111 PolarHBondContact OE2-NZ 3.46Å
108N87.4Confident87.1Confident26 Ų2657.1 Ų57.114%0.13928%0.281CS..Hα-helixtrans-77.8-37.2-178.9-172.387000111.6F102 Y103 S105 D106 E110 K111 D112F102-N108 HydrophobicContact CE1-CB 4.35Å; F102-N108 WeakPolarHBondContact O-CB 3.25Å; Y103-N108 PolarHBondContact O-ND2 2.96Å; S105-N108 PolarHBondContact O-N 2.93Å; S105-N108 WeakPolarHBondContact OG-CB 2.96Å; S105-N108 PolarHBondContact OG-N 3.03Å; D106-N108 VanDerWaalsContact C-N 3.34Å; D106-N108 PolarHBondContact O-N 2.83Å; N108-E110 VanDerWaalsContact C-N 3.3Å; N108-E110 PolarHBondContact O-N 3.37Å; N108-K111 PolarHBondContact O-N 3.11Å; N108-D112 VanDerWaalsContact O-CB 3.25Å; N108-D112 WeakPolarHBondContact O-CB 3.3Å; N108-D112 PolarHBondContact O-N 3.4Å
109L84.6Confident86.8Confident0 Ų053.6 Ų53.60%026%0.263CS..Hα-helixtrans-66.9-31175.1-71.9-179.8000112.7F104 S105 D106 L115 V173 F176F104-L109 HydrophobicContact CD1-CD2 4.4Å; F104-L109 WeakPolarHBondContact O-CD1 3.46Å; S105-L109 WeakPolarHBondContact O-CG 3.48Å; S105-L109 PolarHBondContact O-N 3.19Å; D106-L109 PolarHBondContact O-N 3.39Å; L109-L115 HydrophobicContact CD2-CB 4.26Å; L109-L115 HydrophobicContact CD2-CD2 3.59Å; L109-L115 HydrophobicContact CD2-CG 3.6Å; L109-V173 HydrophobicContact CD1-CG1 3.87Å; L109-V173 HydrophobicContact CD1-CG2 3.89Å; L109-F176 HydrophobicContact CB-CD2 4.39Å; L109-F176 HydrophobicContact CB-CE2 3.5Å; L109-F176 HydrophobicContact CB-CZ 3.94Å; L109-F176 HydrophobicContact CD1-CE2 4.47Å
110E80.6Confident86.2Confident75 Ų7555.7 Ų55.735%0.3527%0.269SS..Hα-helixtrans-62.8-42.5171.5-174.4-176.8-161.600111.9D106 N108 F176 N178D106-E110 WeakPolarHBondContact O-CB 3.44Å; D106-E110 PolarHBondContact O-N 2.74Å; N108-E110 VanDerWaalsContact C-N 3.3Å; N108-E110 PolarHBondContact O-N 3.37Å; E110-F176 HydrophobicContact CB-CD1 3.68Å; E110-F176 HydrophobicContact CB-CE1 3.87Å; E110-F176 HydrophobicContact CB-CG 4.18Å; E110-F176 HydrophobicContact CB-CZ 4.49Å; E110-F176 HydrophobicContact CG-CD1 3.96Å; E110-F176 HydrophobicContact CG-CG 4.43Å; E110-N178 WeakPolarHBondContact CG-ND2 3.35Å; E110-N178 PolarHBondContact OE1-ND2 2.73Å
111K81.3Confident85.8Confident137 Ų13765.1 Ų65.160%0.59630%0.304SS*.Hα-helixtrans-85.8-32.5-174-63.3162.2-159.3169.60112.2E107 N108 A113E107-K111 WeakPolarHBondContact O-CD 3.34Å; E107-K111 VanDerWaalsContact O-CE 3.3Å; E107-K111 WeakPolarHBondContact O-CE 3.25Å; E107-K111 WeakPolarHBondContact O-CG 3.35Å; E107-K111 PolarHBondContact O-N 3.33Å; E107-K111 IonicContact OE2-NZ 2.94Å; E107-K111 PolarHBondContact OE2-NZ 3.46Å; N108-K111 PolarHBondContact O-N 3.11Å; K111-A113 PolarHBondContact O-N 3.18Å
112D85.3Confident85.3Confident41 Ų4166.6 Ų66.622%0.21931%0.314CS..  trans-96.383.4180-171.6-10000112.4N108 F114 L115 L116N108-D112 VanDerWaalsContact O-CB 3.25Å; N108-D112 WeakPolarHBondContact O-CB 3.3Å; N108-D112 PolarHBondContact O-N 3.4Å; D112-F114 PolarHBondContact O-N 2.95Å; D112-F114 VanDerWaalsContact O-N 3.12Å; D112-F114 WeakPolarHBondContact OD1-CA 3.48Å; D112-F114 VanDerWaalsContact OD1-CB 3.26Å; D112-F114 WeakPolarHBondContact OD1-CB 3.42Å; D112-F114 PolarHBondContact OD1-N 3.39Å; D112-L115 HydrophobicContact CB-CB 4.28Å; D112-L115 PolarHBondContact O-N 3.08Å; D112-L115 PolarHBondContact OD1-N 3.39Å; D112-L115 WeakPolarHBondContact OD2-CB 3.4Å; D112-L116 WeakPolarHBondContact O-CB 3.46Å; D112-L116 PolarHBondContact O-N 2.91Å
113A81.4Confident84.5Confident68 Ų6872.3 Ų72.356%0.56234%0.338SS*.Hα-helixtrans-60.7-15.5172.700000114.4K111 K117K111-A113 PolarHBondContact O-N 3.18Å; A113-K117 WeakPolarHBondContact O-CB 3.31Å; A113-K117 PolarHBondContact O-N 2.95Å
114F86.4Confident83.8Confident107 Ų10776.4 Ų76.447%0.46936%0.361SS..Hα-helixtrans-79-45.9174.6173.1-85.1000111.1D112 H118 L131 F135D112-F114 PolarHBondContact O-N 2.95Å; D112-F114 VanDerWaalsContact O-N 3.12Å; D112-F114 WeakPolarHBondContact OD1-CA 3.48Å; D112-F114 VanDerWaalsContact OD1-CB 3.26Å; D112-F114 WeakPolarHBondContact OD1-CB 3.42Å; D112-F114 PolarHBondContact OD1-N 3.39Å; F114-H118 AromaticContact CD1-ND1 4Å; F114-H118 AromaticContact CE1-CE1 3.75Å; F114-H118 AromaticContact CE1-ND1 3.72Å; F114-H118 AromaticContact CE2-CE1 3.53Å; F114-H118 AromaticContact CZ-CE1 3.33Å; F114-H118 WeakPolarHBondContact CZ-CE1 3.34Å; F114-H118 AromaticContact CZ-ND1 3.8Å; F114-H118 PolarHBondContact O-N 3.06Å; F114-H118 PolarHBondContact O-ND1 2.86Å; F114-L131 HydrophobicContact CE1-CD1 4.08Å; F114-L131 HydrophobicContact CE1-CD2 4.12Å; F114-L131 HydrophobicContact CE1-CG 4.44Å; F114-L131 HydrophobicContact CZ-CD1 4.06Å; F114-L131 HydrophobicContact CZ-CD2 4.45Å; F114-F135 HydrophobicContact CD1-CE1 4.45Å; F114-F135 HydrophobicContact CD1-CZ 4.47Å; F114-F135 AromaticContact CE1-CE1 3.99Å; F114-F135 HydrophobicContact CE1-CE1 3.99Å; F114-F135 HydrophobicContact CE1-CZ 4.32Å
115L87.1Confident83.5Confident0 Ų077.1 Ų77.10%037%0.369CS..Hα-helixtrans-69.2-46.1176.3-179.559.2000111.1Y103 F104 L109 D112 K117 H118 V119 V127 L132 F135Y103-L115 WeakPolarHBondContact O-CD2 3.49Å; F104-L115 HydrophobicContact CE1-CD1 4.18Å; F104-L115 HydrophobicContact CZ-CD1 4.22Å; L109-L115 HydrophobicContact CD2-CB 4.26Å; L109-L115 HydrophobicContact CD2-CD2 3.59Å; L109-L115 HydrophobicContact CD2-CG 3.6Å; D112-L115 HydrophobicContact CB-CB 4.28Å; D112-L115 PolarHBondContact O-N 3.08Å; D112-L115 PolarHBondContact OD1-N 3.39Å; D112-L115 WeakPolarHBondContact OD2-CB 3.4Å; L115-K117 PolarHBondContact O-N 3.14Å; L115-H118 WeakPolarHBondContact O-CA 3.33Å; L115-H118 WeakPolarHBondContact O-CB 3.37Å; L115-H118 PolarHBondContact O-N 3.02Å; L115-V119 PolarHBondContact O-N 2.87Å; L115-V127 HydrophobicContact CD1-CG1 4.18Å; L115-V127 HydrophobicContact CD1-CG2 4.19Å; L115-L132 HydrophobicContact CD1-CD2 4.39Å; L115-F135 HydrophobicContact CD1-CE2 4.17Å; L115-F135 HydrophobicContact CD1-CZ 4.05Å; L115-F135 HydrophobicContact CD2-CE2 4.23Å
116L85.3Confident83.5Confident6 Ų676.9 Ų76.93%0.03136%0.363CS..Hα-helixtrans-55.4-40.4176.7-178.760.6000112D112 H118 V119 R120 V173 F176D112-L116 WeakPolarHBondContact O-CB 3.46Å; D112-L116 PolarHBondContact O-N 2.91Å; L116-H118 VanDerWaalsContact C-N 3.33Å; L116-H118 PolarHBondContact O-N 2.94Å; L116-V119 PolarHBondContact O-N 3.12Å; L116-R120 HydrophobicContact CD1-CG 4.19Å; L116-R120 HydrophobicContact CG-CG 4.45Å; L116-R120 WeakPolarHBondContact O-CB 3.35Å; L116-R120 WeakPolarHBondContact O-CG 3.45Å; L116-R120 PolarHBondContact O-N 3.31Å; L116-V173 HydrophobicContact CD1-CG1 4.01Å; L116-F176 HydrophobicContact CD1-CD2 3.77Å; L116-F176 HydrophobicContact CD1-CE2 4.12Å; L116-F176 HydrophobicContact CD2-CB 4.32Å; L116-F176 HydrophobicContact CD2-CD2 3.9Å; L116-F176 HydrophobicContact CG-CD2 4.49Å
117K84.8Confident83.8Confident149 Ų14974 Ų7465%0.64835%0.348SS*.Hα-helixtrans-65.9-31.5175.2-178.4172.8-178174.80113.3A113 L115 R121A113-K117 WeakPolarHBondContact O-CB 3.31Å; A113-K117 PolarHBondContact O-N 2.95Å; L115-K117 PolarHBondContact O-N 3.14Å; K117-R121 VanDerWaalsContact O-CB 3.22Å; K117-R121 WeakPolarHBondContact O-CB 3.15Å; K117-R121 PolarHBondContact O-N 2.63Å; K117-R121 VanDerWaalsContact O-N 3.1Å
118H85.9Confident84.1Confident51 Ų5170.4 Ų70.424%0.23634%0.337CS..Hα-helixtrans-73.3-38.1174.9-79.486.1000112.3F114 L115 L116 V127 L131F114-H118 AromaticContact CD1-ND1 4Å; F114-H118 AromaticContact CE1-CE1 3.75Å; F114-H118 AromaticContact CE1-ND1 3.72Å; F114-H118 AromaticContact CE2-CE1 3.53Å; F114-H118 AromaticContact CZ-CE1 3.33Å; F114-H118 WeakPolarHBondContact CZ-CE1 3.34Å; F114-H118 AromaticContact CZ-ND1 3.8Å; F114-H118 PolarHBondContact O-N 3.06Å; F114-H118 PolarHBondContact O-ND1 2.86Å; L115-H118 WeakPolarHBondContact O-CA 3.33Å; L115-H118 WeakPolarHBondContact O-CB 3.37Å; L115-H118 PolarHBondContact O-N 3.02Å; L116-H118 VanDerWaalsContact C-N 3.33Å; L116-H118 PolarHBondContact O-N 2.94Å; H118-V127 HydrophobicContact CB-CG2 4.36Å; H118-L131 HydrophobicContact CB-CD2 4.37Å
119V85.9Confident84.4Confident11 Ų1169.1 Ų69.17%0.06733%0.33CS..Hα-helixtrans-62.3-57.2171.6179.60000110.1F104 L115 L116 R121 N122 V127 V173F104-V119 HydrophobicContact CE1-CG2 3.98Å; L115-V119 PolarHBondContact O-N 2.87Å; L116-V119 PolarHBondContact O-N 3.12Å; V119-R121 PolarHBondContact O-N 3.38Å; V119-R121 VanDerWaalsContact O-N 3.11Å; V119-N122 PolarHBondContact O-N 3.33Å; V119-N122 VanDerWaalsContact O-N 3.13Å; V119-N122 VanDerWaalsContact O-O 3.13Å; V119-V127 HydrophobicContact CG2-CG2 3.64Å; V119-V173 HydrophobicContact CG1-CG2 4.03Å
120R81.9Confident84.8Confident96 Ų9676.7 Ų76.736%0.36236%0.363SS..Hα-helixtrans-61.7-20.4-178.3-71.3-177.8176.7177.40.4114L116 N122 F176 E179L116-R120 HydrophobicContact CD1-CG 4.19Å; L116-R120 HydrophobicContact CG-CG 4.45Å; L116-R120 WeakPolarHBondContact O-CB 3.35Å; L116-R120 WeakPolarHBondContact O-CG 3.45Å; L116-R120 PolarHBondContact O-N 3.31Å; R120-N122 VanDerWaalsContact C-N 3.3Å; R120-N122 PolarHBondContact O-N 2.71Å; R120-F176 PolarHBondContact NH2-O 3.47Å; R120-F176 VanDerWaalsContact NH2-O 3.08Å; R120-E179 IonicContact CZ-OE2 3.2Å; R120-E179 IonicContact NH1-OE2 2.89Å; R120-E179 PolarHBondContact NH1-OE2 2.83Å
121R82.4Confident85.3Confident197 Ų19774.5 Ų74.574%0.74335%0.354SS*.THydrogen-bonded Turntrans-69.2-25.1176.9-177.7173.4-174.4177.12.1113.2K117 V119K117-R121 VanDerWaalsContact O-CB 3.22Å; K117-R121 WeakPolarHBondContact O-CB 3.15Å; K117-R121 PolarHBondContact O-N 2.63Å; K117-R121 VanDerWaalsContact O-N 3.1Å; V119-R121 PolarHBondContact O-N 3.38Å; V119-R121 VanDerWaalsContact O-N 3.11Å
122N83Confident85.8Confident79 Ų7968 Ų6842%0.42233%0.325SS..SBendtrans-111131-179.9-72.8-35.9000110.2V119 R120 L124 G125 Y126V119-N122 PolarHBondContact O-N 3.33Å; V119-N122 VanDerWaalsContact O-N 3.13Å; V119-N122 VanDerWaalsContact O-O 3.13Å; R120-N122 VanDerWaalsContact C-N 3.3Å; R120-N122 PolarHBondContact O-N 2.71Å; N122-L124 PolarHBondContact O-N 2.92Å; N122-G125 PolarHBondContact O-N 3Å; N122-Y126 PolarHBondContact ND2-O 2.76Å
123K73.9Confident86.2Confident218 Ų21866.7 Ų66.795%0.94832%0.319SS*.THydrogen-bonded Turntrans-55.5-19.8-179.7-64.4-174.3179-177.10114.6
124L75.3Confident86.6Confident112 Ų11266.7 Ų66.759%0.58632%0.315SS*.THydrogen-bonded Turntrans-114.115.1-178.5-57.7177000113.1N122 Y126N122-L124 PolarHBondContact O-N 2.92Å; L124-Y126 HydrophobicContact CB-CD2 3.76Å; L124-Y126 HydrophobicContact CB-CE2 3.9Å; L124-Y126 HydrophobicContact CD1-CD2 4.45Å; L124-Y126 HydrophobicContact CD1-CE2 4.07Å; L124-Y126 PolarHBondContact O-N 3.13Å
125G81.6Confident86.9Confident17 Ų1762.6 Ų62.618%0.17530%0.297CS..  trans70.7-6175.500000117.2N122 V127N122-G125 PolarHBondContact O-N 3Å; G125-V127 PolarHBondContact O-N 3.46Å
126Y88.7Confident87.1Confident30 Ų3070.5 Ų70.512%0.11833%0.331CS..  trans-57.5129.4-174.9-75.3-61.2000114.7N122 L124 N161 K166 V167 R168N122-Y126 PolarHBondContact ND2-O 2.76Å; L124-Y126 HydrophobicContact CB-CD2 3.76Å; L124-Y126 HydrophobicContact CB-CE2 3.9Å; L124-Y126 HydrophobicContact CD1-CD2 4.45Å; L124-Y126 HydrophobicContact CD1-CE2 4.07Å; L124-Y126 PolarHBondContact O-N 3.13Å; Y126-N161 HydrophobicContact CE1-CB 4.06Å; Y126-N161 PolarHBondContact OH-OD1 3.2Å; Y126-K166 HydrophobicContact CD1-CB 4.01Å; Y126-K166 HydrophobicContact CG-CB 4.34Å; Y126-K166 HydrophobicContact CG-CD 4.44Å; Y126-V167 CarbonylContact C-O 3.58Å; Y126-V167 WeakPolarHBondContact CA-O 3.42Å; Y126-R168 HydrophobicContact CD1-CB 3.74Å; Y126-R168 HydrophobicContact CD1-CG 4.04Å; Y126-R168 HydrophobicContact CE1-CB 3.91Å; Y126-R168 HydrophobicContact CE1-CG 3.65Å; Y126-R168 HydrophobicContact CG-CB 4.39Å; Y126-R168 PolarHBondContact OH-NH1 2.85Å
127V91.1Very high87.4Confident4 Ų474.4 Ų74.42%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-114146.1170.7-176.20000109F104 L115 H118 V119 G125 L131 L132 K166 V167F104-V127 HydrophobicContact CE1-CG2 4Å; F104-V127 HydrophobicContact CZ-CB 4.02Å; F104-V127 HydrophobicContact CZ-CG2 3.93Å; L115-V127 HydrophobicContact CD1-CG1 4.18Å; L115-V127 HydrophobicContact CD1-CG2 4.19Å; H118-V127 HydrophobicContact CB-CG2 4.36Å; V119-V127 HydrophobicContact CG2-CG2 3.64Å; G125-V127 PolarHBondContact O-N 3.46Å; V127-L131 HydrophobicContact CG1-CD2 4.04Å; V127-L132 HydrophobicContact CG1-CD2 4.39Å; V127-L132 HydrophobicContact CG1-CG 4.37Å; V127-K166 CarbonylContact O-C 3.5Å; V127-K166 WeakPolarHBondContact O-CA 3.41Å; V127-K166 WeakPolarHBondContact O-CB 3.45Å; V127-V167 PolarHBondContact N-O 2.83Å; V127-V167 PolarHBondContact O-N 2.96Å
128S92.9Very high87.8Confident54 Ų5467.3 Ų67.338%0.37832%0.317SS..EExtended strand (participates in β ladder)trans-79136.318051.70000112.5K130 L131 L132S128-K130 PolarHBondContact O-N 2.95Å; S128-L131 WeakPolarHBondContact O-CB 3.41Å; S128-L131 PolarHBondContact O-N 3.27Å; S128-L131 WeakPolarHBondContact OG-CB 3.34Å; S128-L132 PolarHBondContact O-N 2.95Å
129V92.9Very high88.1Confident0 Ų070.7 Ų70.70%033%0.331CS..Hα-helixtrans-61.3-35179.1178.80000111.1L131 L132 T133 T148 A149 L152 L160 R165V129-L131 PolarHBondContact O-N 3.22Å; V129-L132 WeakPolarHBondContact O-CB 3.2Å; V129-L132 PolarHBondContact O-N 2.87Å; V129-L132 VanDerWaalsContact O-N 3.08Å; V129-T133 HydrophobicContact CG1-CG2 4.44Å; V129-T133 WeakPolarHBondContact O-CG2 3.33Å; V129-T133 PolarHBondContact O-N 2.86Å; V129-T148 HydrophobicContact CG1-CG2 3.92Å; V129-A149 HydrophobicContact CG1-CB 4.19Å; V129-L152 HydrophobicContact CG1-CD1 4.41Å; V129-L152 HydrophobicContact CG2-CD1 4.16Å; V129-L160 HydrophobicContact CG2-CD2 4.08Å; V129-R165 PolarHBondContact N-O 2.79Å
130K92.4Very high88.4Confident158 Ų15877.4 Ų77.469%0.68736%0.361SS*.Hα-helixtrans-66.6-16.5174.3-170.1168.7-178.8174.80114.3S128 T133S128-K130 PolarHBondContact O-N 2.95Å; K130-T133 PolarHBondContact O-OG1 2.77Å
131L92.2Very high88.8Confident30 Ų3075.6 Ų75.616%0.15736%0.358CS..Hα-helixtrans-80.3-44167.6-179.461.3000110.1F114 H118 V127 S128 V129 T133 S134 F135F114-L131 HydrophobicContact CE1-CD1 4.08Å; F114-L131 HydrophobicContact CE1-CD2 4.12Å; F114-L131 HydrophobicContact CE1-CG 4.44Å; F114-L131 HydrophobicContact CZ-CD1 4.06Å; F114-L131 HydrophobicContact CZ-CD2 4.45Å; H118-L131 HydrophobicContact CB-CD2 4.37Å; V127-L131 HydrophobicContact CG1-CD2 4.04Å; S128-L131 WeakPolarHBondContact O-CB 3.41Å; S128-L131 PolarHBondContact O-N 3.27Å; S128-L131 WeakPolarHBondContact OG-CB 3.34Å; V129-L131 PolarHBondContact O-N 3.22Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 2.83Å; L131-S134 WeakPolarHBondContact O-CB 3.42Å; L131-S134 PolarHBondContact O-N 2.83Å; L131-S134 PolarHBondContact O-OG 2.76Å; L131-F135 HydrophobicContact CD1-CE1 4.22Å; L131-F135 HydrophobicContact CG-CE1 3.94Å; L131-F135 HydrophobicContact CG-CZ 4.45Å; L131-F135 WeakPolarHBondContact O-CD1 3.43Å
132L91.9Very high89.1Confident0 Ų067.1 Ų67.10%033%0.329CS..Hα-helixtrans-61.8-38.8178.7-61.7168.9000112I100 F104 L115 V127 S128 V129 S134 F135 V138 V167I100-L132 HydrophobicContact CG2-CD1 4.05Å; F104-L132 HydrophobicContact CE2-CD1 3.83Å; F104-L132 HydrophobicContact CE2-CD2 3.91Å; F104-L132 HydrophobicContact CZ-CD1 4.29Å; F104-L132 HydrophobicContact CZ-CD2 4.2Å; L115-L132 HydrophobicContact CD1-CD2 4.39Å; V127-L132 HydrophobicContact CG1-CD2 4.39Å; V127-L132 HydrophobicContact CG1-CG 4.37Å; S128-L132 PolarHBondContact O-N 2.95Å; V129-L132 WeakPolarHBondContact O-CB 3.2Å; V129-L132 PolarHBondContact O-N 2.87Å; V129-L132 VanDerWaalsContact O-N 3.08Å; L132-S134 PolarHBondContact O-N 2.8Å; L132-S134 VanDerWaalsContact O-N 3.16Å; L132-F135 HydrophobicContact CD2-CD2 4.09Å; L132-F135 HydrophobicContact CD2-CE2 3.66Å; L132-F135 HydrophobicContact CD2-CZ 4.15Å; L132-F135 VanDerWaalsContact O-CB 3.3Å; L132-F135 WeakPolarHBondContact O-CB 3.19Å; L132-F135 PolarHBondContact O-N 2.86Å; L132-V138 WeakPolarHBondContact O-CB 3.35Å; L132-V138 WeakPolarHBondContact O-CG2 3.08Å; L132-V167 HydrophobicContact CD1-CG1 3.42Å; L132-V167 VanDerWaalsContact CD1-CG1 3.42Å
133T92Very high89.4Confident13 Ų1373.4 Ų73.48%0.0835%0.347CS..THydrogen-bonded Turntrans-67-11.6173.665.80000114.8V129 K130 L131 V138 W145 T148V129-T133 HydrophobicContact CG1-CG2 4.44Å; V129-T133 WeakPolarHBondContact O-CG2 3.33Å; V129-T133 PolarHBondContact O-N 2.86Å; K130-T133 PolarHBondContact O-OG1 2.77Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 2.83Å; T133-V138 HydrophobicContact CG2-CG1 4.49Å; T133-W145 HydrophobicContact CG2-CB 4.15Å; T133-T148 HydrophobicContact CG2-CG2 4.01Å; T133-T148 WeakPolarHBondContact CG2-OG1 3.41Å
134S91.1Very high90.1Very high68 Ų6867.6 Ų67.648%0.47633%0.326SS..THydrogen-bonded Turntrans-84.7-15.8171.580.10000113.3L131 L132L131-S134 WeakPolarHBondContact O-CB 3.42Å; L131-S134 PolarHBondContact O-N 2.83Å; L131-S134 PolarHBondContact O-OG 2.76Å; L132-S134 PolarHBondContact O-N 2.8Å; L132-S134 VanDerWaalsContact O-N 3.16Å
135F91.8Very high90.8Very high22 Ų2266.5 Ų66.510%0.09631%0.314CS..SBendtrans-67.6145.6-176.1-71.65.1000111.5Y103 F114 L115 L131 L132 K137 V138 K139Y103-F135 HydrophobicContact CD1-CD2 4.08Å; Y103-F135 HydrophobicContact CD1-CE2 4.41Å; Y103-F135 AromaticContact CD2-CD2 3.94Å; Y103-F135 HydrophobicContact CD2-CD2 3.94Å; Y103-F135 HydrophobicContact CE1-CD2 4.11Å; Y103-F135 HydrophobicContact CE2-CB 4.12Å; Y103-F135 AromaticContact CE2-CD2 3.99Å; Y103-F135 HydrophobicContact CE2-CD2 3.99Å; Y103-F135 HydrophobicContact CG-CD2 4.01Å; Y103-F135 HydrophobicContact CG-CE2 4.38Å; F114-F135 HydrophobicContact CD1-CE1 4.45Å; F114-F135 HydrophobicContact CD1-CZ 4.47Å; F114-F135 AromaticContact CE1-CE1 3.99Å; F114-F135 HydrophobicContact CE1-CE1 3.99Å; F114-F135 HydrophobicContact CE1-CZ 4.32Å; L115-F135 HydrophobicContact CD1-CE2 4.17Å; L115-F135 HydrophobicContact CD1-CZ 4.05Å; L115-F135 HydrophobicContact CD2-CE2 4.23Å; L131-F135 HydrophobicContact CD1-CE1 4.22Å; L131-F135 HydrophobicContact CG-CE1 3.94Å; L131-F135 HydrophobicContact CG-CZ 4.45Å; L131-F135 WeakPolarHBondContact O-CD1 3.43Å; L132-F135 HydrophobicContact CD2-CD2 4.09Å; L132-F135 HydrophobicContact CD2-CE2 3.66Å; L132-F135 HydrophobicContact CD2-CZ 4.15Å; L132-F135 VanDerWaalsContact O-CB 3.3Å; L132-F135 WeakPolarHBondContact O-CB 3.19Å; L132-F135 PolarHBondContact O-N 2.86Å; F135-K137 PolarHBondContact O-N 3.45Å; F135-V138 HydrophobicContact CB-CG2 4.22Å; F135-V138 PolarHBondContact O-N 3.16Å; F135-K139 VanDerWaalsContact O-CB 3.22Å; F135-K139 WeakPolarHBondContact O-CB 3.45Å; F135-K139 PolarHBondContact O-N 2.66Å
136K92.4Very high91.2Very high166 Ų16672.4 Ų72.472%0.72233%0.331SS*.Hα-helixtrans-52.8-50.1-168.1-169.8-179.6178.5-1740112.4H140K136-H140 PolarHBondContact O-ND1 2.89Å
137K91.7Very high91.3Very high88 Ų8871.8 Ų71.838%0.38333%0.331SS..Hα-helixtrans-68.3-51.1-178.7-62.1-173.4-176.3175.80112.2Q99 Y103 F135 K139 H140 L141Q99-K137 HydrophobicContact CG-CD 4.39Å; Y103-K137 HydrophobicContact CE2-CB 4.18Å; Y103-K137 WeakPolarHBondContact OH-CB 3.37Å; Y103-K137 WeakPolarHBondContact OH-CG 3.48Å; Y103-K137 PolarHBondContact OH-N 2.77Å; F135-K137 PolarHBondContact O-N 3.45Å; K137-K139 VanDerWaalsContact C-N 3.28Å; K137-K139 PolarHBondContact O-N 3.11Å; K137-H140 PolarHBondContact O-N 2.84Å; K137-L141 PolarHBondContact O-N 3.31Å
138V92.9Very high91.3Very high0 Ų071.6 Ų71.60%033%0.329CS..Hα-helixtrans-55.4-44.1-179.8-170.40000111.2L96 I100 Y103 L132 T133 F135 H140 L141 T142 T148L96-V138 HydrophobicContact CD2-CG1 3.75Å; I100-V138 HydrophobicContact CD1-CG1 4.43Å; I100-V138 HydrophobicContact CD1-CG2 4.38Å; I100-V138 HydrophobicContact CG1-CG2 3.95Å; Y103-V138 HydrophobicContact CD2-CG2 4.26Å; Y103-V138 HydrophobicContact CE2-CG2 3.89Å; L132-V138 WeakPolarHBondContact O-CB 3.35Å; L132-V138 WeakPolarHBondContact O-CG2 3.08Å; T133-V138 HydrophobicContact CG2-CG1 4.49Å; F135-V138 HydrophobicContact CB-CG2 4.22Å; F135-V138 PolarHBondContact O-N 3.16Å; V138-H140 PolarHBondContact O-N 2.75Å; V138-L141 WeakPolarHBondContact O-CB 3.37Å; V138-L141 PolarHBondContact O-N 2.82Å; V138-T142 PolarHBondContact O-N 2.83Å; V138-T142 VanDerWaalsContact O-O 3.13Å; V138-T148 HydrophobicContact CG1-CG2 4.38Å
139K92.8Very high91.2Very high122 Ų12269.3 Ų69.353%0.5331%0.314SS..Hα-helixtrans-63.9-21.2179.8-172.6175.9176.2-176.60114.6F135 K137 T142F135-K139 VanDerWaalsContact O-CB 3.22Å; F135-K139 WeakPolarHBondContact O-CB 3.45Å; F135-K139 PolarHBondContact O-N 2.66Å; K137-K139 VanDerWaalsContact C-N 3.28Å; K137-K139 PolarHBondContact O-N 3.11Å; K139-T142 WeakPolarHBondContact CA-O 3.4Å
140H91.3Very high91Very high151 Ų15171.1 Ų71.170%0.69932%0.322SS*.Hα-helixtrans-83.5-25172.5-72.466.5000112.2K136 K137 V138K136-H140 PolarHBondContact O-ND1 2.89Å; K137-H140 PolarHBondContact O-N 2.84Å; V138-H140 PolarHBondContact O-N 2.75Å
141L89.8Confident91Very high58 Ų5863.6 Ų63.630%0.30429%0.289SS..Hα-helixtrans-81.1-45173.8-61.3174.9000111.6K95 L96 Q99 K137 V138K95-L141 HydrophobicContact CB-CD1 4.09Å; K95-L141 HydrophobicContact CB-CD2 4.32Å; K95-L141 WeakPolarHBondContact O-CD1 3.39Å; L96-L141 HydrophobicContact CD2-CB 4.07Å; L96-L141 HydrophobicContact CD2-CD1 4.06Å; L96-L141 HydrophobicContact CG-CB 4.44Å; L96-L141 HydrophobicContact CG-CD1 4.23Å; Q99-L141 HydrophobicContact CG-CD1 4.34Å; K137-L141 PolarHBondContact O-N 3.31Å; V138-L141 WeakPolarHBondContact O-CB 3.37Å; V138-L141 PolarHBondContact O-N 2.82Å
142T89.9Confident90.9Very high20 Ų2062.3 Ų62.312%0.12328%0.283CS..  trans-156.6148.4-175.9-50.70000111.7V138 K139 D144 T147V138-T142 PolarHBondContact O-N 2.83Å; V138-T142 VanDerWaalsContact O-O 3.13Å; K139-T142 WeakPolarHBondContact CA-O 3.4Å; T142-D144 HydrophobicContact CG2-CB 4.1Å; T142-T147 HydrophobicContact CG2-CG2 3.93Å
143R88.2Confident90.7Very high210 Ų21067.6 Ų67.679%0.79231%0.306SS*.SBendtrans-97.4-22.1175.3-61.6-179.5-177.1-179.93.6112.6
144D89.9Confident90.5Very high97 Ų9773.9 Ų73.952%0.51933%0.329SS..  trans-91.5121.2-170.4-58.1-74.3000113.7T142 R146 T147 T148T142-D144 HydrophobicContact CG2-CB 4.1Å; D144-R146 VanDerWaalsContact C-N 3.26Å; D144-R146 PolarHBondContact O-N 2.94Å; D144-T147 PolarHBondContact O-N 3Å; D144-T148 PolarHBondContact O-N 2.86Å; D144-T148 PolarHBondContact O-OG1 3.26Å
145W89Confident90.3Very high88 Ų8871.3 Ų71.333%0.33331%0.311SS..Hα-helixtrans-66.7-25.3179.374.5-85.5000113.4T133 A149 R165T133-W145 HydrophobicContact CG2-CB 4.15Å; W145-A149 HydrophobicContact CE3-CB 4.31Å; W145-A149 HydrophobicContact CZ3-CB 4.48Å; W145-A149 WeakPolarHBondContact O-CB 3.45Å; W145-A149 PolarHBondContact O-N 2.99Å; W145-R165 HydrophobicContact CH2-CG 4.44Å; W145-R165 HydrophobicContact CZ3-CG 4.15Å
146R90.2Very high89.8Confident142 Ų14276.6 Ų76.654%0.53634%0.344SS..Hα-helixtrans-61.4-49.1174.8-69.6-179.4176.6169.3-2.8110.5W85 D144 A149 H150W85-R146 HydrophobicContact CG-CB 4.5Å; D144-R146 VanDerWaalsContact C-N 3.26Å; D144-R146 PolarHBondContact O-N 2.94Å; R146-A149 PolarHBondContact O-N 3.06Å; R146-H150 PolarHBondContact O-N 3.47Å
147T90.1Very high89.4Confident17 Ų1771.4 Ų71.410%0.10433%0.327CS..Hα-helixtrans-62.6-44.3179.7-50.40000111.6W85 P88 L96 T142 D144 H150 A151W85-T147 PolarHBondContact NE1-OG1 2.69Å; W85-T147 VanDerWaalsContact NE1-OG1 3.16Å; P88-T147 HydrophobicContact CB-CG2 3.56Å; P88-T147 HydrophobicContact CG-CG2 3.51Å; L96-T147 HydrophobicContact CD1-CG2 4.45Å; T142-T147 HydrophobicContact CG2-CG2 3.93Å; D144-T147 PolarHBondContact O-N 3Å; T147-H150 PolarHBondContact O-N 3.15Å; T147-A151 PolarHBondContact O-N 2.71Å
148T91.2Very high89.2Confident0 Ų067.6 Ų67.60%031%0.311CS..Hα-helixtrans-66.5-38.7173.9-51.50000112.8I100 V129 T133 V138 D144 H150 A151 L152I100-T148 HydrophobicContact CD1-CG2 3.37Å; V129-T148 HydrophobicContact CG1-CG2 3.92Å; T133-T148 HydrophobicContact CG2-CG2 4.01Å; T133-T148 WeakPolarHBondContact CG2-OG1 3.41Å; V138-T148 HydrophobicContact CG1-CG2 4.38Å; D144-T148 PolarHBondContact O-N 2.86Å; D144-T148 PolarHBondContact O-OG1 3.26Å; T148-H150 VanDerWaalsContact C-N 3.27Å; T148-H150 PolarHBondContact O-N 3.12Å; T148-A151 PolarHBondContact O-N 3.38Å; T148-L152 HydrophobicContact CG2-CD1 4.15Å; T148-L152 WeakPolarHBondContact O-CB 3.12Å; T148-L152 VanDerWaalsContact O-CG 3.31Å; T148-L152 WeakPolarHBondContact O-CG 3.2Å; T148-L152 PolarHBondContact O-N 3.41Å
149A91.4Very high89Confident6 Ų671 Ų715%0.0533%0.326CS..Hα-helixtrans-66.9-27.7175.400000112.8V129 W145 R146 L160 H164V129-A149 HydrophobicContact CG1-CB 4.19Å; W145-A149 HydrophobicContact CE3-CB 4.31Å; W145-A149 HydrophobicContact CZ3-CB 4.48Å; W145-A149 WeakPolarHBondContact O-CB 3.45Å; W145-A149 PolarHBondContact O-N 2.99Å; R146-A149 PolarHBondContact O-N 3.06Å; A149-L160 VanDerWaalsContact O-CD1 3.27Å; A149-L160 WeakPolarHBondContact O-CD1 3.41Å; A149-H164 HydrophobicContact CB-CB 4.29Å; A149-H164 WeakPolarHBondContact CB-O 3.39Å
150H90Very high88.9Confident38 Ų3866.4 Ų66.418%0.17631%0.308CS..Hα-helixtrans-76.1-44.5171.7-175.587.1000111.9W85 R146 T147 T148 L152 K153 Y154W85-H150 HydrophobicContact CH2-CB 3.59Å; W85-H150 AromaticContact CH2-CD2 3.72Å; W85-H150 AromaticContact CH2-CE1 3.85Å; W85-H150 AromaticContact CH2-CG 3.31Å; W85-H150 AromaticContact CH2-ND1 3.4Å; W85-H150 WeakPolarHBondContact CH2-ND1 3.44Å; W85-H150 HydrophobicContact CZ2-CB 3.61Å; W85-H150 AromaticContact CZ2-CG 3.83Å; R146-H150 PolarHBondContact O-N 3.47Å; T147-H150 PolarHBondContact O-N 3.15Å; T148-H150 VanDerWaalsContact C-N 3.27Å; T148-H150 PolarHBondContact O-N 3.12Å; H150-L152 VanDerWaalsContact C-N 3.27Å; H150-L152 PolarHBondContact O-N 3.49Å; H150-K153 VanDerWaalsContact O-CB 3.27Å; H150-K153 WeakPolarHBondContact O-CB 3.1Å; H150-K153 WeakPolarHBondContact O-CG 3.27Å; H150-K153 PolarHBondContact O-N 3.1Å; H150-Y154 AromaticContact CD2-CE2 3.87Å; H150-Y154 AromaticContact NE2-CE2 3.64Å; H150-Y154 WeakPolarHBondContact O-CD2 3.18Å
151A91.2Very high88.8Confident0 Ų060.7 Ų60.70%028%0.282CS..Hα-helixtrans-58.3-40.5176.500000112.1I93 L96 V97 T147 T148 K153 Y154I93-A151 HydrophobicContact CB-CB 4.37Å; I93-A151 HydrophobicContact CG1-CB 4.38Å; I93-A151 HydrophobicContact CG2-CB 4.09Å; L96-A151 HydrophobicContact CB-CB 3.8Å; L96-A151 HydrophobicContact CD1-CB 3.95Å; V97-A151 HydrophobicContact CG2-CB 4.47Å; V97-A151 WeakPolarHBondContact CG2-O 3.3Å; T147-A151 PolarHBondContact O-N 2.71Å; T148-A151 PolarHBondContact O-N 3.38Å; A151-K153 PolarHBondContact O-N 2.81Å; A151-Y154 PolarHBondContact O-N 2.57Å
152L90.4Very high88.6Confident3 Ų366.7 Ų66.72%0.01631%0.309CS..THydrogen-bonded Turntrans-68.65.5174.4-69.4172000115.1I100 V129 T148 H150 S155 L158 L160 V167I100-L152 HydrophobicContact CB-CD2 4.12Å; I100-L152 HydrophobicContact CD1-CD1 4.18Å; I100-L152 HydrophobicContact CD1-CD2 4.13Å; I100-L152 HydrophobicContact CD1-CG 4.25Å; I100-L152 HydrophobicContact CG2-CD2 3.82Å; V129-L152 HydrophobicContact CG1-CD1 4.41Å; V129-L152 HydrophobicContact CG2-CD1 4.16Å; T148-L152 HydrophobicContact CG2-CD1 4.15Å; T148-L152 WeakPolarHBondContact O-CB 3.12Å; T148-L152 VanDerWaalsContact O-CG 3.31Å; T148-L152 WeakPolarHBondContact O-CG 3.2Å; T148-L152 PolarHBondContact O-N 3.41Å; H150-L152 VanDerWaalsContact C-N 3.27Å; H150-L152 PolarHBondContact O-N 3.49Å; L152-S155 PolarHBondContact O-OG 3.44Å; L152-L158 HydrophobicContact CD2-CD1 3.87Å; L152-L160 HydrophobicContact CB-CD1 3.92Å; L152-L160 HydrophobicContact CB-CD2 3.97Å; L152-L160 HydrophobicContact CB-CG 4.07Å; L152-L160 HydrophobicContact CD1-CD2 4.34Å; L152-L160 VanDerWaalsContact O-CD1 3.24Å; L152-L160 WeakPolarHBondContact O-CD1 2.94Å; L152-V167 HydrophobicContact CD1-CB 4.4Å; L152-V167 HydrophobicContact CD1-CG1 4.41Å; L152-V167 HydrophobicContact CD1-CG2 4.45Å
153K88.2Confident88.4Confident111 Ų11170 Ų7048%0.48333%0.326SS..THydrogen-bonded Turntrans-83.2-16.4165.1-62.7-171.6172-155.70112.9H150 A151 L160 H164H150-K153 VanDerWaalsContact O-CB 3.27Å; H150-K153 WeakPolarHBondContact O-CB 3.1Å; H150-K153 WeakPolarHBondContact O-CG 3.27Å; H150-K153 PolarHBondContact O-N 3.1Å; A151-K153 PolarHBondContact O-N 2.81Å; K153-L160 HydrophobicContact CG-CD1 3.78Å; K153-H164 VanDerWaalsContact CE-CD2 3.5Å; K153-H164 WeakPolarHBondContact CE-CD2 3.48Å; K153-H164 WeakPolarHBondContact CE-NE2 3.47Å; K153-H164 PolarHBondContact NZ-CD2 3.03Å; K153-H164 PolarHBondContact NZ-NE2 2.85Å
154Y86.1Confident88.3Confident145 Ų14563.4 Ų63.457%0.56930%0.304SS*.SBendtrans-103.7-5.7-177-58-87.8000113.1I93 H150 A151I93-Y154 HydrophobicContact CD1-CE2 4.19Å; I93-Y154 HydrophobicContact CG2-CD2 3.82Å; I93-Y154 HydrophobicContact CG2-CE2 4.45Å; I93-Y154 HydrophobicContact CG2-CG 4.25Å; H150-Y154 AromaticContact CD2-CE2 3.87Å; H150-Y154 AromaticContact NE2-CE2 3.64Å; H150-Y154 WeakPolarHBondContact O-CD2 3.18Å; A151-Y154 PolarHBondContact O-N 2.57Å
155S87Confident88.2Confident13 Ų1366.1 Ų66.19%0.09131%0.307CS..  trans-71.4135.717347.50000111.4E101 L152 L158E101-S155 WeakPolarHBondContact OE1-CA 3.32Å; E101-S155 WeakPolarHBondContact OE1-CB 3.29Å; L152-S155 PolarHBondContact O-OG 3.44Å; S155-L158 PolarHBondContact OG-O 3.37Å
156V82.7Confident88.3Confident133 Ų13366.4 Ų66.481%0.80631%0.31SS*.SBendtrans-92.3-27.5179.5-176.30000111.1E101E101-V156 PolarHBondContact OE1-N 3.12Å; E101-V156 VanDerWaalsContact OE1-N 3.14Å
157V83.9Confident88.4Confident58 Ų5859.6 Ų59.635%0.35229%0.285SS..SBendtrans-84.7-16.9-176-173.60000112.4E101 T170E101-V157 HydrophobicContact CG-CB 4.27Å; E101-V157 WeakPolarHBondContact OE1-CB 3.4Å; E101-V157 PolarHBondContact OE1-N 3.22Å; V157-T170 PolarHBondContact O-N 3.35Å; V157-T170 PolarHBondContact O-OG1 2.81Å
158L87.9Confident88.3Confident8 Ų861.9 Ų61.94%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-126136.4-167.1-57.4178.4000112.3I100 E101 F104 L152 S155 V167 R168 R169I100-L158 HydrophobicContact CG2-CD1 3.77Å; E101-L158 HydrophobicContact CG-CD1 3.83Å; E101-L158 HydrophobicContact CG-CG 4.09Å; F104-L158 HydrophobicContact CB-CD2 3.8Å; F104-L158 HydrophobicContact CD2-CD1 3.83Å; F104-L158 HydrophobicContact CD2-CD2 3.8Å; F104-L158 HydrophobicContact CE2-CD1 4.46Å; F104-L158 HydrophobicContact CG-CD2 3.8Å; L152-L158 HydrophobicContact CD2-CD1 3.87Å; S155-L158 PolarHBondContact OG-O 3.37Å; L158-V167 HydrophobicContact CB-CG2 3.74Å; L158-V167 HydrophobicContact CD1-CG2 4.48Å; L158-R168 CarbonylContact C-O 3.57Å; L158-R168 WeakPolarHBondContact CA-O 3.39Å; L158-R169 HydrophobicContact CD2-CB 4.39Å; L158-R169 HydrophobicContact CD2-CG 3.63Å
159E88.9Confident88.1Confident70 Ų7063.2 Ų63.233%0.32730%0.296SS..EExtended strand (participates in β ladder)trans-113.6126.1-177.3-171.1-166.6152.300110.5V167 R168E159-V167 CarbonylContact O-C 3.43Å; E159-V167 VanDerWaalsContact O-CA 3.3Å; E159-V167 WeakPolarHBondContact O-CA 3.36Å; E159-V167 WeakPolarHBondContact O-CG2 3.41Å; E159-R168 HydrophobicContact CB-CG 4.02Å; E159-R168 VanDerWaalsContact CD-NE 3.31Å; E159-R168 PolarHBondContact N-O 3.34Å; E159-R168 PolarHBondContact O-N 2.93Å; E159-R168 IonicContact OE1-CZ 2.71Å; E159-R168 IonicContact OE1-NE 2.69Å; E159-R168 IonicContact OE1-NH2 3.17Å; E159-R168 PolarHBondContact OE1-NH2 2.98Å; E159-R168 IonicContact OE2-CZ 3.36Å; E159-R168 IonicContact OE2-NE 2.75Å; E159-R168 PolarHBondContact OE2-NE 3.24Å; E159-R168 IonicContact OE2-NH2 2.62Å; E159-R168 PolarHBondContact OE2-NH2 3.08Å
160L89.4Confident87.6Confident27 Ų2767 Ų6714%0.14132%0.319CS..EExtended strand (participates in β ladder)trans-83.9141.6174.3-74.2168.3000111.6V129 A149 L152 K153 H164 K166 V167V129-L160 HydrophobicContact CG2-CD2 4.08Å; A149-L160 VanDerWaalsContact O-CD1 3.27Å; A149-L160 WeakPolarHBondContact O-CD1 3.41Å; L152-L160 HydrophobicContact CB-CD1 3.92Å; L152-L160 HydrophobicContact CB-CD2 3.97Å; L152-L160 HydrophobicContact CB-CG 4.07Å; L152-L160 HydrophobicContact CD1-CD2 4.34Å; L152-L160 VanDerWaalsContact O-CD1 3.24Å; L152-L160 WeakPolarHBondContact O-CD1 2.94Å; K153-L160 HydrophobicContact CG-CD1 3.78Å; L160-H164 HydrophobicContact CD1-CB 4.45Å; L160-K166 WeakPolarHBondContact CA-O 3.4Å; L160-V167 HydrophobicContact CD2-CB 4Å; L160-V167 HydrophobicContact CD2-CG2 4.27Å
161N89.1Confident86.9Confident31 Ų3168.3 Ų68.317%0.16633%0.33CS..  trans-63.6160.2165.8-159.865.9000110.6Y126 D163 H164 K166Y126-N161 HydrophobicContact CE1-CB 4.06Å; Y126-N161 PolarHBondContact OH-OD1 3.2Å; N161-D163 VanDerWaalsContact C-N 3.26Å; N161-D163 PolarHBondContact ND2-OD2 3.15Å; N161-D163 PolarHBondContact O-N 2.94Å; N161-D163 VanDerWaalsContact O-N 3.17Å; N161-H164 WeakPolarHBondContact O-CA 3.23Å; N161-H164 PolarHBondContact O-N 3.2Å; N161-H164 PolarHBondContact O-ND1 2.68Å; N161-K166 HydrophobicContact CB-CB 4.12Å; N161-K166 PolarHBondContact N-O 2.99Å
162E86.7Confident86Confident183 Ų18374 Ų7486%0.85537%0.367SS*.THydrogen-bonded Turntrans-49.4-41.1177.4-64.7168-164.600113.3H164E162-H164 PolarHBondContact O-N 2.89Å; E162-H164 VanDerWaalsContact O-N 3.16Å
163D85.3Confident85Confident91 Ų9175.7 Ų75.749%0.48738%0.377SS..THydrogen-bonded Turntrans-67.2-11.6176.1-47-84.2000114.9N161 R165N161-D163 VanDerWaalsContact C-N 3.26Å; N161-D163 PolarHBondContact ND2-OD2 3.15Å; N161-D163 PolarHBondContact O-N 2.94Å; N161-D163 VanDerWaalsContact O-N 3.17Å; D163-R165 HydrophobicContact CB-CB 3.95Å; D163-R165 HydrophobicContact CB-CG 3.8Å; D163-R165 PolarHBondContact O-N 3.26Å
164H86.1Confident83.9Confident70 Ų7073 Ų7332%0.32437%0.371SS..SBendtrans52.913.7-161-52.1-47.2000115.6A149 K153 L160 N161 E162A149-H164 HydrophobicContact CB-CB 4.29Å; A149-H164 WeakPolarHBondContact CB-O 3.39Å; K153-H164 VanDerWaalsContact CE-CD2 3.5Å; K153-H164 WeakPolarHBondContact CE-CD2 3.48Å; K153-H164 WeakPolarHBondContact CE-NE2 3.47Å; K153-H164 PolarHBondContact NZ-CD2 3.03Å; K153-H164 PolarHBondContact NZ-NE2 2.85Å; L160-H164 HydrophobicContact CD1-CB 4.45Å; N161-H164 WeakPolarHBondContact O-CA 3.23Å; N161-H164 PolarHBondContact O-N 3.2Å; N161-H164 PolarHBondContact O-ND1 2.68Å; E162-H164 PolarHBondContact O-N 2.89Å; E162-H164 VanDerWaalsContact O-N 3.16Å
165R88.2Confident82.5Confident155 Ų15573.7 Ų73.759%0.58538%0.383SS*.SBendtrans-86.3-14.5-179.1-67.8172.7-169.6-124.21.1114.3V129 W145 D163V129-R165 PolarHBondContact N-O 2.79Å; W145-R165 HydrophobicContact CH2-CG 4.44Å; W145-R165 HydrophobicContact CZ3-CG 4.15Å; D163-R165 HydrophobicContact CB-CB 3.95Å; D163-R165 HydrophobicContact CB-CG 3.8Å; D163-R165 PolarHBondContact O-N 3.26Å
166K90.9Very high81.2Confident93 Ų9374 Ų7440%0.40438%0.383SS..EExtended strand (participates in β ladder)trans-136.3151.6-178.8-59.1172-169.1160.10109.8Y126 V127 L160 N161Y126-K166 HydrophobicContact CD1-CB 4.01Å; Y126-K166 HydrophobicContact CG-CB 4.34Å; Y126-K166 HydrophobicContact CG-CD 4.44Å; V127-K166 CarbonylContact O-C 3.5Å; V127-K166 WeakPolarHBondContact O-CA 3.41Å; V127-K166 WeakPolarHBondContact O-CB 3.45Å; L160-K166 WeakPolarHBondContact CA-O 3.4Å; N161-K166 HydrophobicContact CB-CB 4.12Å; N161-K166 PolarHBondContact N-O 2.99Å
167V91.2Very high79.9Confident0 Ų070.9 Ų70.90%037%0.366CS..EExtended strand (participates in β ladder)trans-130.3146.6175.968.60000109.7F104 Y126 V127 L132 L152 L158 E159 L160F104-V167 HydrophobicContact CE2-CG1 3.93Å; F104-V167 HydrophobicContact CZ-CG1 4.05Å; Y126-V167 CarbonylContact C-O 3.58Å; Y126-V167 WeakPolarHBondContact CA-O 3.42Å; V127-V167 PolarHBondContact N-O 2.83Å; V127-V167 PolarHBondContact O-N 2.96Å; L132-V167 HydrophobicContact CD1-CG1 3.42Å; L132-V167 VanDerWaalsContact CD1-CG1 3.42Å; L152-V167 HydrophobicContact CD1-CB 4.4Å; L152-V167 HydrophobicContact CD1-CG1 4.41Å; L152-V167 HydrophobicContact CD1-CG2 4.45Å; L158-V167 HydrophobicContact CB-CG2 3.74Å; L158-V167 HydrophobicContact CD1-CG2 4.48Å; E159-V167 CarbonylContact O-C 3.43Å; E159-V167 VanDerWaalsContact O-CA 3.3Å; E159-V167 WeakPolarHBondContact O-CA 3.36Å; E159-V167 WeakPolarHBondContact O-CG2 3.41Å; L160-V167 HydrophobicContact CD2-CB 4Å; L160-V167 HydrophobicContact CD2-CG2 4.27Å
168R88.1Confident78.4Confident64 Ų6472.3 Ų72.324%0.24237%0.371CS..EExtended strand (participates in β ladder)trans-125.8164.4168.264.1177.6-179.7-161.3-2.2109.5Y126 L158 E159Y126-R168 HydrophobicContact CD1-CB 3.74Å; Y126-R168 HydrophobicContact CD1-CG 4.04Å; Y126-R168 HydrophobicContact CE1-CB 3.91Å; Y126-R168 HydrophobicContact CE1-CG 3.65Å; Y126-R168 HydrophobicContact CG-CB 4.39Å; Y126-R168 PolarHBondContact OH-NH1 2.85Å; L158-R168 CarbonylContact C-O 3.57Å; L158-R168 WeakPolarHBondContact CA-O 3.39Å; E159-R168 HydrophobicContact CB-CG 4.02Å; E159-R168 VanDerWaalsContact CD-NE 3.31Å; E159-R168 PolarHBondContact N-O 3.34Å; E159-R168 PolarHBondContact O-N 2.93Å; E159-R168 IonicContact OE1-CZ 2.71Å; E159-R168 IonicContact OE1-NE 2.69Å; E159-R168 IonicContact OE1-NH2 3.17Å; E159-R168 PolarHBondContact OE1-NH2 2.98Å; E159-R168 IonicContact OE2-CZ 3.36Å; E159-R168 IonicContact OE2-NE 2.75Å; E159-R168 PolarHBondContact OE2-NE 3.24Å; E159-R168 IonicContact OE2-NH2 2.62Å; E159-R168 PolarHBondContact OE2-NH2 3.08Å
169R87.4Confident76.7Confident28 Ų2875.7 Ų75.711%0.10639%0.387CS..EExtended strand (participates in β ladder)trans-73.7142.2160.2-79.7171.961.1161-8.8109.6F104 D106 L158 T171F104-R169 HydrophobicContact CB-CG 3.98Å; F104-R169 HydrophobicContact CD1-CG 4.04Å; F104-R169 HydrophobicContact CG-CG 4.23Å; F104-R169 WeakPolarHBondContact O-CD 3.25Å; F104-R169 PolarHBondContact O-NH1 2.86Å; D106-R169 IonicContact OD1-CZ 3.39Å; D106-R169 VanDerWaalsContact OD1-CZ 3.24Å; D106-R169 IonicContact OD1-NH1 2.67Å; D106-R169 PolarHBondContact OD1-NH1 3.04Å; D106-R169 IonicContact OD1-NH2 3.3Å; D106-R169 PolarHBondContact OD1-NH2 3.33Å; D106-R169 IonicContact OD2-CZ 2.71Å; D106-R169 IonicContact OD2-NH1 2.74Å; D106-R169 IonicContact OD2-NH2 2.75Å; D106-R169 PolarHBondContact OD2-NH2 2.76Å; L158-R169 HydrophobicContact CD2-CB 4.39Å; L158-R169 HydrophobicContact CD2-CG 3.63Å; R169-T171 WeakPolarHBondContact CB-O 3.33Å; R169-T171 PolarHBondContact NE-OG1 3.11Å; R169-T171 PolarHBondContact NH2-OG1 3.23Å
170T80.3Confident75Confident86 Ų8673.6 Ų73.653%0.52838%0.378SS..SBendtrans-72.1-35.4168.7-44.20000110.3V157V157-T170 PolarHBondContact O-N 3.35Å; V157-T170 PolarHBondContact O-OG1 2.81Å
171T75.6Confident73.3Confident66 Ų6676.9 Ų76.941%0.40540%0.395SS..SBendtrans-78.6136.6171.653.90000111.3R169R169-T171 WeakPolarHBondContact CB-O 3.33Å; R169-T171 PolarHBondContact NE-OG1 3.11Å; R169-T171 PolarHBondContact NH2-OG1 3.23Å
172P72.2Confident71.7Confident119 Ų11980 Ų8077%0.77342%0.418SS*.PPolyproline II helixtrans-62.8139.4173.427.8-34.2000110
173V69.9Low70.6Confident39 Ų3971.8 Ų71.824%0.23638%0.38CS..PPolyproline II helixtrans-74128.3-179.11770000110.1L109 L116 V119 F176L109-V173 HydrophobicContact CD1-CG1 3.87Å; L109-V173 HydrophobicContact CD1-CG2 3.89Å; L116-V173 HydrophobicContact CD1-CG1 4.01Å; V119-V173 HydrophobicContact CG1-CG2 4.03Å; V173-F176 HydrophobicContact CG1-CD2 4.15Å; V173-F176 HydrophobicContact CG1-CE2 3.47Å; V173-F176 VanDerWaalsContact CG1-CE2 3.47Å; V173-F176 HydrophobicContact CG1-CZ 4.3Å
174P64.4Low70.1Confident54 Ų5472 Ų7235%0.35138%0.377SS..PPolyproline II helixtrans-54.2151.5175.7-27.435.8000113.3D106 F176D106-P174 WeakPolarHBondContact OD1-CD 3.27Å; D106-P174 VanDerWaalsContact OD1-CG 3.23Å; D106-P174 WeakPolarHBondContact OD1-CG 3.22Å; P174-F176 HydrophobicContact CB-CD1 4.37Å; P174-F176 HydrophobicContact CB-CE1 3.93Å; P174-F176 HydrophobicContact CB-CZ 4.02Å; P174-F176 HydrophobicContact CG-CE1 4.26Å; P174-F176 HydrophobicContact CG-CZ 4.08Å; P174-F176 WeakPolarHBondContact O-CD2 3.48Å; P174-F176 PolarHBondContact O-N 3.21Å
175L58.3Low69.8Low159 Ų15969.3 Ų69.383%0.83236%0.364SS*.  trans-78.565.1178-63.8-179.3000111.1P177L175-P177 WeakPolarHBondContact O-CD 3.42Å; L175-P177 VanDerWaalsContact O-N 3.15Å
176F58.3Low69.6Low19 Ų1961.9 Ų61.98%0.08334%0.336CS..  trans-49.2120177.3-55.2-63.5000110.8D106 L109 E110 L116 R120 V173 P174 N178D106-F176 HydrophobicContact CB-CE1 4.22Å; D106-F176 HydrophobicContact CB-CZ 4.04Å; D106-F176 WeakPolarHBondContact O-CE1 3.49Å; D106-F176 VanDerWaalsContact O-CZ 3.29Å; D106-F176 WeakPolarHBondContact O-CZ 3.28Å; L109-F176 HydrophobicContact CB-CD2 4.39Å; L109-F176 HydrophobicContact CB-CE2 3.5Å; L109-F176 HydrophobicContact CB-CZ 3.94Å; L109-F176 HydrophobicContact CD1-CE2 4.47Å; E110-F176 HydrophobicContact CB-CD1 3.68Å; E110-F176 HydrophobicContact CB-CE1 3.87Å; E110-F176 HydrophobicContact CB-CG 4.18Å; E110-F176 HydrophobicContact CB-CZ 4.49Å; E110-F176 HydrophobicContact CG-CD1 3.96Å; E110-F176 HydrophobicContact CG-CG 4.43Å; L116-F176 HydrophobicContact CD1-CD2 3.77Å; L116-F176 HydrophobicContact CD1-CE2 4.12Å; L116-F176 HydrophobicContact CD2-CB 4.32Å; L116-F176 HydrophobicContact CD2-CD2 3.9Å; L116-F176 HydrophobicContact CG-CD2 4.49Å; R120-F176 PolarHBondContact NH2-O 3.47Å; R120-F176 VanDerWaalsContact NH2-O 3.08Å; V173-F176 HydrophobicContact CG1-CD2 4.15Å; V173-F176 HydrophobicContact CG1-CE2 3.47Å; V173-F176 VanDerWaalsContact CG1-CE2 3.47Å; V173-F176 HydrophobicContact CG1-CZ 4.3Å; P174-F176 HydrophobicContact CB-CD1 4.37Å; P174-F176 HydrophobicContact CB-CE1 3.93Å; P174-F176 HydrophobicContact CB-CZ 4.02Å; P174-F176 HydrophobicContact CG-CE1 4.26Å; P174-F176 HydrophobicContact CG-CZ 4.08Å; P174-F176 WeakPolarHBondContact O-CD2 3.48Å; P174-F176 PolarHBondContact O-N 3.21Å; F176-N178 PolarHBondContact O-N 2.76Å
177P54.9Low69.1Low69 Ų6957.5 Ų57.545%0.44832%0.317SS..G310 helixtrans-61.8-26.8-179.9-25.235.4000113.2L175 E179 N180L175-P177 WeakPolarHBondContact O-CD 3.42Å; L175-P177 VanDerWaalsContact O-N 3.15Å; P177-E179 PolarHBondContact O-N 3.24Å; P177-N180 WeakPolarHBondContact O-CB 3.47Å; P177-N180 PolarHBondContact O-N 3.37Å
178N52.7Low68.7Low87 Ų8757.5 Ų57.547%0.46532%0.317SS..G310 helixtrans-70.3-1.4-160.1-52.4-2.5000115.7E110 F176 N180E110-N178 WeakPolarHBondContact CG-ND2 3.35Å; E110-N178 PolarHBondContact OE1-ND2 2.73Å; F176-N178 PolarHBondContact O-N 2.76Å; N178-N180 VanDerWaalsContact C-N 3.29Å; N178-N180 CarbonylContact C-O 3.57Å
179E52.6Low68.1Low79 Ų7956.5 Ų56.537%0.36931%0.314SS..G310 helixtrans-77.3-20.6166.6-157.1-157.4124.600111.8R120 P177 L181 R249R120-E179 IonicContact CZ-OE2 3.2Å; R120-E179 IonicContact NH1-OE2 2.89Å; R120-E179 PolarHBondContact NH1-OE2 2.83Å; P177-E179 PolarHBondContact O-N 3.24Å; E179-L181 PolarHBondContact O-N 3.44Å; E179-R249 IonicContact OE1-CZ 3.54Å; E179-R249 IonicContact OE1-NH1 3.58Å; E179-R249 PolarHBondContact OE1-NH1 3.18Å
180N54.3Low67.2Low26 Ų2657.3 Ų57.314%0.13932%0.32CS..SBendtrans-72.6117.4152.7-64.5-39.1000106.7P177 N178 L290P177-N180 WeakPolarHBondContact O-CB 3.47Å; P177-N180 PolarHBondContact O-N 3.37Å; N178-N180 VanDerWaalsContact C-N 3.29Å; N178-N180 CarbonylContact C-O 3.57Å; N180-L290 HydrophobicContact CB-CB 3.91Å; N180-L290 PolarHBondContact ND2-O 3.25Å; N180-L290 PolarHBondContact OD1-O 2.9Å
181L53.7Low66.7Low97 Ų9754.5 Ų54.551%0.50830%0.302SS..  trans-50156.5165.2-90.965.6000109E179 S183E179-L181 PolarHBondContact O-N 3.44Å; L181-S183 VanDerWaalsContact O-CB 3.27Å; L181-S183 WeakPolarHBondContact O-CB 3.2Å; L181-S183 PolarHBondContact O-N 3.14Å; L181-S183 PolarHBondContact O-OG 2.65Å
182P54.8Low65.8Low97 Ų9757.7 Ų57.763%0.6331%0.308SS*.SBendtrans-59.1107.616630.4-36.5000106.5V266 I270P182-V266 HydrophobicContact CB-CG1 3.53Å; P182-V266 WeakPolarHBondContact O-CG1 3.24Å; P182-I270 HydrophobicContact CB-CD1 4.23Å
183S63.4Low65Low10 Ų1056.5 Ų56.57%0.0729%0.294CS..  trans-126.6128.5-160.2-65.70000111.4L181 M185 A269 L290 I291 G292L181-S183 VanDerWaalsContact O-CB 3.27Å; L181-S183 WeakPolarHBondContact O-CB 3.2Å; L181-S183 PolarHBondContact O-N 3.14Å; L181-S183 PolarHBondContact O-OG 2.65Å; S183-M185 PolarHBondContact O-N 2.84Å; S183-M185 VanDerWaalsContact O-N 3.11Å; S183-A269 WeakPolarHBondContact O-CB 3.49Å; S183-L290 WeakPolarHBondContact O-CD2 3.19Å; S183-I291 VanDerWaalsContact CB-O 3.32Å; S183-I291 WeakPolarHBondContact CB-O 3.43Å; S183-G292 WeakPolarHBondContact OG-CA 3.47Å; S183-G292 PolarHBondContact OG-N 3.37Å
184K74.9Confident63.7Low96 Ų9657.7 Ų57.742%0.41730%0.304SS..SBendtrans-61.9-16.5174.9-64.7-166.5-179.1-157.10113.8E262 F263 E264 V266K184-E262 CarbonylContact O-C 3.28Å; K184-E262 WeakPolarHBondContact O-CA 3.49Å; K184-F263 WeakPolarHBondContact CB-O 3.2Å; K184-F263 WeakPolarHBondContact CD-O 3.31Å; K184-F263 PolarHBondContact O-N 2.7Å; K184-E264 WeakPolarHBondContact CD-O 3.46Å; K184-E264 WeakPolarHBondContact CE-O 3.46Å; K184-E264 PolarHBondContact NZ-O 3.22Å; K184-V266 HydrophobicContact CD-CG2 4.49Å; K184-V266 HydrophobicContact CG-CG2 3.76Å
185M79.1Confident62.9Low12 Ų1259.1 Ų59.16%0.05931%0.313CS..EExtended strand (participates in β ladder)trans-105.8127.4-172.8-61.7177.563.500112S183 I260 V261 E262 I291 M293S183-M185 PolarHBondContact O-N 2.84Å; S183-M185 VanDerWaalsContact O-N 3.11Å; M185-I260 HydrophobicContact CE-CG2 3.5Å; M185-I260 VanDerWaalsContact CE-CG2 3.5Å; M185-V261 CarbonylContact C-O 3.57Å; M185-V261 WeakPolarHBondContact CA-O 3.35Å; M185-E262 HydrophobicContact CG-CB 4.07Å; M185-E262 HydrophobicContact CG-CG 3.74Å; M185-I291 HydrophobicContact CB-CB 4.43Å; M185-I291 PolarHBondContact O-N 3.33Å; M185-M293 HydrophobicContact CE-CE 4.32Å; M185-M293 HydrophobicContact CE-CG 4.43Å; M185-M293 HydrophobicContact CE-SD 3.41Å; M185-M293 WeakPolarHBondContact CE-SD 3.35Å; M185-M293 HydrophobicContact SD-CB 3.85Å; M185-M293 HydrophobicContact SD-CE 4.11Å; M185-M293 HydrophobicContact SD-CG 4.11Å; M185-M293 HydrophobicContact SD-SD 3.61Å; M185-M293 VanDerWaalsContact SD-SD 3.61Å
186L83.8Confident62Low0 Ų060.8 Ų60.80%031%0.314CS..EExtended strand (participates in β ladder)trans-113.5120.5174.4-172.567.1000108.5V188 F221 I260 V261 F263 A272 H273 A288 L290L186-V188 HydrophobicContact CD2-CG2 4.27Å; L186-V188 HydrophobicContact CG-CG2 4.19Å; L186-F221 HydrophobicContact CD2-CD1 4.16Å; L186-F221 HydrophobicContact CD2-CE1 3.58Å; L186-F221 HydrophobicContact CD2-CZ 3.87Å; L186-I260 WeakPolarHBondContact O-CA 3.35Å; L186-V261 PolarHBondContact N-O 2.89Å; L186-V261 PolarHBondContact O-N 2.97Å; L186-F263 HydrophobicContact CB-CE2 4.03Å; L186-F263 HydrophobicContact CD2-CE2 4.09Å; L186-A272 HydrophobicContact CD2-CB 3.98Å; L186-H273 HydrophobicContact CD1-CB 3.83Å; L186-A288 HydrophobicContact CD1-CB 3.97Å; L186-A288 HydrophobicContact CD2-CB 4.19Å; L186-A288 HydrophobicContact CG-CB 4.12Å; L186-L290 HydrophobicContact CD1-CD2 4.46Å; L186-L290 HydrophobicContact CD1-CG 4.28Å
187L82.1Confident61.3Low1 Ų164.5 Ų64.51%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-79.6138.6164.3177.574.4000108.5Y189 Y250 V253 C258 I260 A288 V289 I291L187-Y189 HydrophobicContact CD2-CD1 4.31Å; L187-Y250 HydrophobicContact CD2-CD2 4.45Å; L187-V253 HydrophobicContact CD1-CG2 4.1Å; L187-V253 HydrophobicContact CD2-CG2 3.43Å; L187-V253 VanDerWaalsContact CD2-CG2 3.43Å; L187-V253 HydrophobicContact CG-CG2 4.42Å; L187-C258 HydrophobicContact CD1-CB 3.88Å; L187-I260 HydrophobicContact CD1-CD1 4.44Å; L187-I260 HydrophobicContact CD1-CG1 3.86Å; L187-A288 CarbonylContact O-C 3.42Å; L187-A288 WeakPolarHBondContact O-CA 3.5Å; L187-V289 WeakPolarHBondContact CB-O 3.34Å; L187-V289 PolarHBondContact N-O 3.32Å; L187-V289 PolarHBondContact O-N 3.48Å; L187-I291 HydrophobicContact CB-CD1 3.51Å; L187-I291 HydrophobicContact CB-CG1 3.87Å; L187-I291 HydrophobicContact CD1-CD1 4.45Å; L187-I291 HydrophobicContact CD2-CD1 4.05Å; L187-I291 HydrophobicContact CG-CD1 4.21Å
188V82.2Confident60.8Low0 Ų070 Ų700%035%0.346CS..EExtended strand (participates in β ladder)trans-128.8130.2176.4-173.60000107.1L186 L191 L217 F221 C258 A259 V261 M286 K287 A288L186-V188 HydrophobicContact CD2-CG2 4.27Å; L186-V188 HydrophobicContact CG-CG2 4.19Å; V188-L191 HydrophobicContact CB-CD2 4.43Å; V188-L191 HydrophobicContact CG1-CD2 3.73Å; V188-L217 HydrophobicContact CG1-CD2 4.17Å; V188-F221 HydrophobicContact CG2-CE2 3.82Å; V188-F221 HydrophobicContact CG2-CZ 3.88Å; V188-C258 CarbonylContact O-C 3.6Å; V188-C258 WeakPolarHBondContact O-CA 3.43Å; V188-A259 HydrophobicContact CB-CB 4.44Å; V188-A259 PolarHBondContact N-O 3.04Å; V188-A259 PolarHBondContact O-N 2.89Å; V188-A259 VanDerWaalsContact O-O 3.14Å; V188-V261 HydrophobicContact CG2-CG2 4.25Å; V188-M286 HydrophobicContact CG1-CE 3.55Å; V188-M286 HydrophobicContact CG1-CG 3.4Å; V188-M286 HydrophobicContact CG1-SD 3.3Å; V188-M286 WeakPolarHBondContact CG1-SD 3.4Å; V188-K287 CarbonylContact C-O 3.5Å; V188-K287 WeakPolarHBondContact CA-O 3.42Å; V188-A288 HydrophobicContact CG2-CB 4.4Å
189Y74.8Confident60.3Low43 Ų4369.4 Ų69.417%0.16935%0.353CS..EExtended strand (participates in β ladder)trans-136.9168.4177.962.6-82.4000110L187 Q252 M286 K287 V289L187-Y189 HydrophobicContact CD2-CD1 4.31Å; Y189-Q252 HydrophobicContact CD2-CB 4.37Å; Y189-Q252 HydrophobicContact CD2-CG 4.34Å; Y189-Q252 HydrophobicContact CE2-CG 4.18Å; Y189-M286 WeakPolarHBondContact O-CG 3.44Å; Y189-K287 HydrophobicContact CD1-CB 4.31Å; Y189-K287 WeakPolarHBondContact CD1-O 3.22Å; Y189-K287 HydrophobicContact CD2-CB 4.18Å; Y189-K287 HydrophobicContact CE1-CB 3.81Å; Y189-K287 HydrophobicContact CE2-CB 3.66Å; Y189-K287 HydrophobicContact CE2-CD 4.11Å; Y189-K287 HydrophobicContact CE2-CG 4.49Å; Y189-K287 HydrophobicContact CG-CB 4.47Å; Y189-K287 VanDerWaalsContact CZ-CB 3.45Å; Y189-K287 PolarHBondContact N-O 3.16Å; Y189-K287 PolarHBondContact O-N 3Å; Y189-V289 HydrophobicContact CE1-CG2 3.97Å
190D69.5Low59.9Low44 Ų4473.4 Ų73.424%0.23538%0.376CS..  trans62.153.2-170.5-149.1-7.6000112.6Y192 M286D190-Y192 PolarHBondContact O-N 2.7Å; D190-Y192 VanDerWaalsContact O-N 3.14Å; D190-M286 WeakPolarHBondContact O-CA 3.36Å
191L68.8Low59.4Low28 Ų2875 Ų7515%0.14739%0.393CS..THydrogen-bonded Turntrans-723.8179.9-57.9172.8000113.5V188 V213 L217 E257 A259 M286V188-L191 HydrophobicContact CB-CD2 4.43Å; V188-L191 HydrophobicContact CG1-CD2 3.73Å; L191-V213 HydrophobicContact CD1-CG1 4.03Å; L191-L217 HydrophobicContact CD2-CD2 4.13Å; L191-E257 HydrophobicContact CD1-CB 4.46Å; L191-A259 HydrophobicContact CD1-CB 4.02Å; L191-A259 HydrophobicContact CD2-CB 4.35Å; L191-M286 HydrophobicContact CD2-CG 4.15Å; L191-M286 HydrophobicContact CD2-SD 3.64Å
192Y57.9Low58.9Low133 Ų13376 Ų7652%0.52240%0.404SS..THydrogen-bonded Turntrans-104.44.2-158-92.1-60.3000116.6D190 S194 E257D190-Y192 PolarHBondContact O-N 2.7Å; D190-Y192 VanDerWaalsContact O-N 3.14Å; Y192-S194 VanDerWaalsContact C-N 3.35Å; Y192-S194 PolarHBondContact O-N 3.02Å; Y192-E257 HydrophobicContact CD2-CB 4.45Å; Y192-E257 HydrophobicContact CE2-CB 3.82Å; Y192-E257 HydrophobicContact CE2-CG 3.93Å; Y192-E257 WeakPolarHBondContact CE2-OE2 3.21Å; Y192-E257 VanDerWaalsContact CZ-OE2 3.24Å; Y192-E257 VanDerWaalsContact OH-CD 3.26Å; Y192-E257 PolarHBondContact OH-OE2 2.9Å
193L54.8Low58.4Low93 Ų9377.6 Ų77.649%0.48741%0.414SS..  trans-87.160.7-177.8-11698.3000115.9E284L193-E284 HydrophobicContact CD1-CB 4Å; L193-E284 WeakPolarHBondContact CD1-O 3.41Å; L193-E284 HydrophobicContact CD2-CB 3.68Å; L193-E284 WeakPolarHBondContact CD2-O 3.27Å; L193-E284 HydrophobicContact CG-CB 4.45Å
194S41.9Very low57.6Low64 Ų6483.6 Ų83.645%0.44844%0.44SS..  trans-14072.3148.958.40000113.5Y192 K196 L197Y192-S194 VanDerWaalsContact C-N 3.35Å; Y192-S194 PolarHBondContact O-N 3.02Å; S194-K196 PolarHBondContact O-N 3.04Å; S194-L197 PolarHBondContact O-N 2.8Å; S194-L197 VanDerWaalsContact O-N 3.07Å
195P48.5Very low56.1Low84 Ų8487 Ų8755%0.54546%0.455SS..THydrogen-bonded Turntrans-56.2-9.7178.2-28.537.1000116.5W198P195-W198 PolarHBondContact O-NE1 2.76Å
196K39Very low54.9Low195 Ų19593.3 Ų93.385%0.84849%0.489SS*.THydrogen-bonded Turntrans-86.4-12177.6-65.8-176.6177.6179.50114.5S194S194-K196 PolarHBondContact O-N 3.04Å
197L44Very low53.5Low97 Ų9795.4 Ų95.451%0.50851%0.511SS..THydrogen-bonded Turntrans-102.5-12.2-176.3-97.2169.8000115.7S194S194-L197 PolarHBondContact O-N 2.8Å; S194-L197 VanDerWaalsContact O-N 3.07Å
198W45.3Very low52.2Low185 Ų185103.4 Ų103.470%0.70154%0.541SS*.THydrogen-bonded Turntrans-89.9-31.7173.670.7-82.5000112.9P195 L200 A201P195-W198 PolarHBondContact O-NE1 2.76Å; W198-L200 PolarHBondContact O-N 3.22Å; W198-L200 VanDerWaalsContact O-N 3.14Å; W198-A201 WeakPolarHBondContact O-CB 3.23Å; W198-A201 PolarHBondContact O-N 2.8Å
199A42.1Very low51.3Low73 Ų73107.3 Ų107.360%0.60357%0.565SS**THydrogen-bonded Turntrans-64.3-19.3-175.300000115
200L44.3Very low50.8Low163 Ų163108 Ų10885%0.85357%0.57SS**THydrogen-bonded Turntrans-98.9-2.8173-76170.7000113.6W198 T202W198-L200 PolarHBondContact O-N 3.22Å; W198-L200 VanDerWaalsContact O-N 3.14Å; L200-T202 PolarHBondContact O-N 2.94Å
201A42.6Very low50.8Low61 Ų61110.5 Ų110.550%0.50458%0.58SS.*  trans-90.7101.3177.500000109.9W198W198-A201 WeakPolarHBondContact O-CB 3.23Å; W198-A201 PolarHBondContact O-N 2.8Å
202T43.1Very low51Low118 Ų118113.7 Ų113.772%0.72459%0.593SS**  trans-55.1148.8168.432.80000111L200 Q204L200-T202 PolarHBondContact O-N 2.94Å; T202-Q204 VanDerWaalsContact C-N 3.28Å; T202-Q204 PolarHBondContact O-N 3.3Å
203P44.8Very low51.8Low130 Ų130108.7 Ų108.784%0.84458%0.576SS**SBendtrans-74.375.6-168.430.3-36.9000112.3
204Q45.5Very low53Low135 Ų135106.9 Ų106.963%0.63157%0.566SS**  trans-123.5103.2179.5-84.5-69-7.300111.9T202T202-Q204 VanDerWaalsContact C-N 3.28Å; T202-Q204 PolarHBondContact O-N 3.3Å
205K44.2Very low54.9Low167 Ų167109.5 Ų109.573%0.72657%0.571SS**  trans63.6107.9165.8-58-179.4-177-179.70115.4G207 R208K205-G207 PolarHBondContact O-N 3.04Å; K205-R208 PolarHBondContact O-N 2.83Å
206N53.1Low56.4Low145 Ų145111.1 Ų111.178%0.77557%0.571SS**THydrogen-bonded Turntrans-60.412.8-174.5-50.7-1.9000116.7
207G54.7Low58.5Low45 Ų45102 Ų10246%0.46453%0.532SS..THydrogen-bonded Turntrans-92.1-40.8174.300000113.7K205 V209 Q210 E211K205-G207 PolarHBondContact O-N 3.04Å; G207-V209 PolarHBondContact O-N 3.25Å; G207-V209 VanDerWaalsContact O-N 3.08Å; G207-Q210 PolarHBondContact O-N 3.04Å; G207-E211 PolarHBondContact O-N 2.85Å
208R55.2Low60.5Low168 Ų168101.2 Ų101.263%0.63453%0.527SS*.Hα-helixtrans-61.9-22-172.8-74-167172.5-80.714.5114.8K205 E211 K212K205-R208 PolarHBondContact O-N 2.83Å; R208-E211 IonicContact NH1-OE2 3.25Å; R208-E211 PolarHBondContact NH1-OE2 2.99Å; R208-K212 PolarHBondContact O-N 3.18Å
209V63.9Low62.4Low82 Ų82100.6 Ų100.650%0.49753%0.53SS..Hα-helixtrans-69.1-41.6175.5-176.70000110.7G207 V213G207-V209 PolarHBondContact O-N 3.25Å; G207-V209 VanDerWaalsContact O-N 3.08Å; V209-V213 WeakPolarHBondContact O-CG2 3.21Å; V209-V213 PolarHBondContact O-N 3.19Å; V209-V213 VanDerWaalsContact O-N 3.12Å
210Q64.8Low64.4Low59 Ų5999.8 Ų99.828%0.27652%0.515SS..Hα-helixtrans-72.2-32.1178.2-61.3-166.6-98.400112.3G207 V213 M214 I232 K234G207-Q210 PolarHBondContact O-N 3.04Å; Q210-V213 PolarHBondContact O-N 2.92Å; Q210-M214 VanDerWaalsContact O-CB 3.28Å; Q210-M214 WeakPolarHBondContact O-CB 3.48Å; Q210-M214 PolarHBondContact O-N 2.98Å; Q210-I232 HydrophobicContact CB-CD1 4.12Å; Q210-K234 VanDerWaalsContact NE2-CE 3.35Å
211E69.2Low66.3Low96 Ų9692 Ų9245%0.44947%0.474SS..Hα-helixtrans-58.6-53.5172.8-173.5172.9-123.700110.7G207 R208 V213 M214 E215G207-E211 PolarHBondContact O-N 2.85Å; R208-E211 IonicContact NH1-OE2 3.25Å; R208-E211 PolarHBondContact NH1-OE2 2.99Å; E211-V213 PolarHBondContact O-N 2.8Å; E211-M214 WeakPolarHBondContact O-CB 3.26Å; E211-M214 PolarHBondContact O-N 3.07Å; E211-M214 VanDerWaalsContact O-N 3.16Å; E211-E215 WeakPolarHBondContact O-CG 3.38Å; E211-E215 PolarHBondContact O-N 2.93Å
212K72.8Confident68.3Low95 Ų9591.3 Ų91.341%0.41347%0.473SS..Hα-helixtrans-60-43.7175.2-70.2-177.3177.2-172.30113.3R208 M214 E215 H216R208-K212 PolarHBondContact O-N 3.18Å; K212-M214 VanDerWaalsContact C-N 3.3Å; K212-M214 PolarHBondContact O-N 2.85Å; K212-E215 PolarHBondContact O-N 3.15Å; K212-H216 PolarHBondContact O-CD2 3.24Å; K212-H216 PolarHBondContact O-N 2.97Å
213V74.9Confident70.5Confident28 Ų2890.8 Ų90.817%0.1747%0.469CS..Hα-helixtrans-62.6-39.5177.11690000110.8L191 V209 Q210 E211 H216 L217 I232L191-V213 HydrophobicContact CD1-CG1 4.03Å; V209-V213 WeakPolarHBondContact O-CG2 3.21Å; V209-V213 PolarHBondContact O-N 3.19Å; V209-V213 VanDerWaalsContact O-N 3.12Å; Q210-V213 PolarHBondContact O-N 2.92Å; E211-V213 PolarHBondContact O-N 2.8Å; V213-H216 PolarHBondContact O-N 3.5Å; V213-L217 HydrophobicContact CG1-CD1 3.87Å; V213-L217 HydrophobicContact CG1-CG 4.4Å; V213-L217 WeakPolarHBondContact O-CB 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.16Å; V213-L217 PolarHBondContact O-N 3.12Å; V213-I232 HydrophobicContact CB-CD1 4.42Å; V213-I232 HydrophobicContact CG1-CD1 4.08Å
214M80Confident72.4Confident55 Ų5586.9 Ų86.927%0.27144%0.439SS..Hα-helixtrans-62.1-47.8173.9-173.764.775.900111.7Q210 E211 K212 H216 L217 L218 V230 I232Q210-M214 VanDerWaalsContact O-CB 3.28Å; Q210-M214 WeakPolarHBondContact O-CB 3.48Å; Q210-M214 PolarHBondContact O-N 2.98Å; E211-M214 WeakPolarHBondContact O-CB 3.26Å; E211-M214 PolarHBondContact O-N 3.07Å; E211-M214 VanDerWaalsContact O-N 3.16Å; K212-M214 VanDerWaalsContact C-N 3.3Å; K212-M214 PolarHBondContact O-N 2.85Å; M214-H216 VanDerWaalsContact C-N 3.35Å; M214-H216 PolarHBondContact O-N 3.15Å; M214-L217 PolarHBondContact O-N 3.32Å; M214-L218 HydrophobicContact CG-CD1 3.91Å; M214-L218 HydrophobicContact CG-CG 4.36Å; M214-L218 WeakPolarHBondContact O-CB 3.32Å; M214-L218 VanDerWaalsContact O-CG 3.29Å; M214-L218 WeakPolarHBondContact O-CG 2.95Å; M214-L218 PolarHBondContact O-N 3.24Å; M214-L218 HydrophobicContact SD-CD1 4.32Å; M214-L218 HydrophobicContact SD-CG 4.31Å; M214-V230 HydrophobicContact CE-CB 3.86Å; M214-V230 HydrophobicContact CE-CG1 3.85Å; M214-V230 HydrophobicContact SD-CB 3.49Å; M214-V230 WeakPolarHBondContact SD-CB 3.35Å; M214-V230 HydrophobicContact SD-CG1 3.52Å; M214-V230 VanDerWaalsContact SD-CG1 3.52Å; M214-V230 HydrophobicContact SD-CG2 4.05Å; M214-I232 HydrophobicContact CB-CD1 4.38Å; M214-I232 HydrophobicContact CE-CD1 4.02Å; M214-I232 HydrophobicContact CE-CG1 4.32Å
215E81.1Confident74.3Confident118 Ų11881.4 Ų81.455%0.55142%0.419SS*.Hα-helixtrans-58.1-44.6176.1-70.3171.3166.800112E211 K212 L218 K219E211-E215 WeakPolarHBondContact O-CG 3.38Å; E211-E215 PolarHBondContact O-N 2.93Å; K212-E215 PolarHBondContact O-N 3.15Å; E215-L218 PolarHBondContact O-N 2.84Å; E215-K219 WeakPolarHBondContact O-CB 3.15Å; E215-K219 PolarHBondContact O-N 3.29Å
216H80.7Confident76.4Confident119 Ų11977.8 Ų77.855%0.55141%0.411SS*.Hα-helixtrans-63.7-44176.3-84.4-74.4000112.4K212 V213 M214 K219 L220K212-H216 PolarHBondContact O-CD2 3.24Å; K212-H216 PolarHBondContact O-N 2.97Å; V213-H216 PolarHBondContact O-N 3.5Å; M214-H216 VanDerWaalsContact C-N 3.35Å; M214-H216 PolarHBondContact O-N 3.15Å; H216-K219 PolarHBondContact O-N 2.98Å; H216-L220 VanDerWaalsContact O-CB 3.29Å; H216-L220 WeakPolarHBondContact O-CB 3.13Å; H216-L220 PolarHBondContact O-N 3.05Å
217L83Confident78.1Confident4 Ų472.7 Ų72.72%0.02138%0.383CS..Hα-helixtrans-63.8-46176.5-70.6167.1000111.5V188 L191 V213 M214 K219 L220 F221 V230 A259 M286V188-L217 HydrophobicContact CG1-CD2 4.17Å; L191-L217 HydrophobicContact CD2-CD2 4.13Å; V213-L217 HydrophobicContact CG1-CD1 3.87Å; V213-L217 HydrophobicContact CG1-CG 4.4Å; V213-L217 WeakPolarHBondContact O-CB 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.16Å; V213-L217 PolarHBondContact O-N 3.12Å; M214-L217 PolarHBondContact O-N 3.32Å; L217-K219 PolarHBondContact O-N 3.14Å; L217-L220 PolarHBondContact O-N 3.04Å; L217-F221 HydrophobicContact CB-CD2 4.42Å; L217-F221 HydrophobicContact CD2-CD2 4.09Å; L217-F221 HydrophobicContact CD2-CE2 3.68Å; L217-F221 WeakPolarHBondContact O-CB 3.2Å; L217-F221 VanDerWaalsContact O-CD2 3.3Å; L217-F221 WeakPolarHBondContact O-CD2 3.44Å; L217-F221 PolarHBondContact O-N 3.36Å; L217-V230 HydrophobicContact CD1-CG1 4.12Å; L217-A259 HydrophobicContact CD1-CB 3.48Å; L217-A259 VanDerWaalsContact CD1-CB 3.48Å; L217-A259 HydrophobicContact CD2-CB 4.45Å; L217-M286 HydrophobicContact CD2-CE 4.41Å; L217-M286 HydrophobicContact CD2-SD 4.19Å
218L84.8Confident79.7Confident80 Ų8074.4 Ų74.442%0.41939%0.388SS..Hα-helixtrans-64-39.7177.8-69.6173.3000111.8M214 E215 G222 I227 V230M214-L218 HydrophobicContact CG-CD1 3.91Å; M214-L218 HydrophobicContact CG-CG 4.36Å; M214-L218 WeakPolarHBondContact O-CB 3.32Å; M214-L218 VanDerWaalsContact O-CG 3.29Å; M214-L218 WeakPolarHBondContact O-CG 2.95Å; M214-L218 PolarHBondContact O-N 3.24Å; M214-L218 HydrophobicContact SD-CD1 4.32Å; M214-L218 HydrophobicContact SD-CG 4.31Å; E215-L218 PolarHBondContact O-N 2.84Å; L218-G222 WeakPolarHBondContact O-CA 3.49Å; L218-G222 PolarHBondContact O-N 2.92Å; L218-I227 HydrophobicContact CD2-CD1 3.81Å; L218-I227 HydrophobicContact CD2-CG2 4.39Å; L218-V230 HydrophobicContact CD2-CG2 3.98Å
219K85.2Confident80.9Confident171 Ų17168.4 Ų68.474%0.74337%0.372SS*.Hα-helixtrans-69.9-36.9177.7-175.5172.7-179.4176.60113E215 H216 L217E215-K219 WeakPolarHBondContact O-CB 3.15Å; E215-K219 PolarHBondContact O-N 3.29Å; H216-K219 PolarHBondContact O-N 2.98Å; L217-K219 PolarHBondContact O-N 3.14Å
220L84Confident82Confident57 Ų5765.7 Ų65.730%0.29836%0.356SS..Hα-helixtrans-78-38.4179.2-172.668.9000112.3H216 L217 T223 F224 F275 M276 M286H216-L220 VanDerWaalsContact O-CB 3.29Å; H216-L220 WeakPolarHBondContact O-CB 3.13Å; H216-L220 PolarHBondContact O-N 3.05Å; L217-L220 PolarHBondContact O-N 3.04Å; L220-T223 PolarHBondContact O-OG1 3.46Å; L220-F224 WeakPolarHBondContact O-CD2 3.37Å; L220-F224 WeakPolarHBondContact O-CE2 3.46Å; L220-F275 HydrophobicContact CD1-CE1 4.42Å; L220-M276 HydrophobicContact CD2-SD 3.8Å; L220-M286 HydrophobicContact CD2-CE 3.5Å
221F85.6Confident82.8Confident0 Ų067.3 Ų67.30%036%0.359CS..Hα-helixtrans-93-23-175.7-68.8-59000114.2L186 V188 L217 T223 F224 G225 I227 V261 F263 A272 M276 M286L186-F221 HydrophobicContact CD2-CD1 4.16Å; L186-F221 HydrophobicContact CD2-CE1 3.58Å; L186-F221 HydrophobicContact CD2-CZ 3.87Å; V188-F221 HydrophobicContact CG2-CE2 3.82Å; V188-F221 HydrophobicContact CG2-CZ 3.88Å; L217-F221 HydrophobicContact CB-CD2 4.42Å; L217-F221 HydrophobicContact CD2-CD2 4.09Å; L217-F221 HydrophobicContact CD2-CE2 3.68Å; L217-F221 WeakPolarHBondContact O-CB 3.2Å; L217-F221 VanDerWaalsContact O-CD2 3.3Å; L217-F221 WeakPolarHBondContact O-CD2 3.44Å; L217-F221 PolarHBondContact O-N 3.36Å; F221-T223 PolarHBondContact O-N 2.89Å; F221-F224 HydrophobicContact CD1-CD2 4.24Å; F221-F224 PolarHBondContact O-N 3.1Å; F221-G225 PolarHBondContact O-N 3.43Å; F221-I227 HydrophobicContact CB-CD1 3.75Å; F221-V261 HydrophobicContact CB-CG1 4.36Å; F221-V261 HydrophobicContact CD2-CG1 4.47Å; F221-V261 HydrophobicContact CD2-CG2 3.88Å; F221-V261 HydrophobicContact CE2-CG2 4.17Å; F221-V261 HydrophobicContact CG-CG1 4.49Å; F221-F263 HydrophobicContact CB-CE1 4.03Å; F221-F263 HydrophobicContact CB-CZ 3.79Å; F221-F263 AromaticContact CD1-CZ 3.91Å; F221-F263 HydrophobicContact CD1-CZ 3.91Å; F221-F263 HydrophobicContact CG-CZ 4.03Å; F221-A272 HydrophobicContact CD1-CB 3.74Å; F221-A272 HydrophobicContact CE1-CB 3.94Å; F221-M276 HydrophobicContact CE1-CG 3.94Å; F221-M276 HydrophobicContact CE1-SD 4.19Å; F221-M276 HydrophobicContact CZ-CG 4.07Å; F221-M276 HydrophobicContact CZ-SD 4.08Å; F221-M286 HydrophobicContact CE2-CE 3.97Å; F221-M286 HydrophobicContact CZ-CE 3.88Å
222G84.7Confident83.4Confident46 Ų4664.5 Ų64.547%0.47435%0.347SS..THydrogen-bonded Turntrans-67.4-12.8177.300000114.8L218L218-G222 WeakPolarHBondContact O-CA 3.49Å; L218-G222 PolarHBondContact O-N 2.92Å
223T87.7Confident83.5Confident106 Ų10661 Ų6165%0.6533%0.332SS*.THydrogen-bonded Turntrans-77-24.717050.70000113L220 F221L220-T223 PolarHBondContact O-OG1 3.46Å; F221-T223 PolarHBondContact O-N 2.89Å
224F85.3Confident83.4Confident49 Ų4962.8 Ų62.822%0.21534%0.338CS..THydrogen-bonded Turntrans-94.8-19.1-178.1-56.9-67.6000113.2L220 F221 A268 A272 F275L220-F224 WeakPolarHBondContact O-CD2 3.37Å; L220-F224 WeakPolarHBondContact O-CE2 3.46Å; F221-F224 HydrophobicContact CD1-CD2 4.24Å; F221-F224 PolarHBondContact O-N 3.1Å; F224-A268 WeakPolarHBondContact O-CA 3.48Å; F224-A268 VanDerWaalsContact O-CB 3.23Å; F224-A268 WeakPolarHBondContact O-CB 3.22Å; F224-A272 HydrophobicContact CB-CB 4.08Å; F224-A272 HydrophobicContact CD2-CB 4Å; F224-A272 HydrophobicContact CG-CB 4.13Å; F224-F275 HydrophobicContact CE1-CB 3.96Å; F224-F275 AromaticContact CE1-CD2 3.95Å; F224-F275 HydrophobicContact CE1-CD2 3.95Å; F224-F275 AromaticContact CE1-CG 3.92Å; F224-F275 HydrophobicContact CE1-CG 3.92Å; F224-F275 HydrophobicContact CE2-CB 4.35Å; F224-F275 HydrophobicContact CE2-CD1 4.01Å; F224-F275 HydrophobicContact CE2-CG 4.09Å; F224-F275 HydrophobicContact CZ-CB 3.7Å; F224-F275 AromaticContact CZ-CD1 3.61Å; F224-F275 HydrophobicContact CZ-CD1 3.61Å; F224-F275 AromaticContact CZ-CD2 3.57Å; F224-F275 HydrophobicContact CZ-CD2 3.57Å; F224-F275 HydrophobicContact CZ-CE1 4.12Å; F224-F275 HydrophobicContact CZ-CE2 4.07Å; F224-F275 AromaticContact CZ-CG 3.31Å; F224-F275 HydrophobicContact CZ-CG 3.31Å; F224-F275 HydrophobicContact CZ-CZ 4.32Å
225G85.6Confident82.8Confident20 Ų2063 Ų6321%0.20634%0.343CS..SBendtrans162.5-178.7169.300000114.2F221F221-G225 PolarHBondContact O-N 3.43Å
226V87.3Confident81.7Confident90 Ų9061 Ų6155%0.54535%0.354SS..  trans-68.4132.1-178.4-178.40000110.8F263 E264V226-F263 CarbonylContact O-C 3.39Å; V226-F263 WeakPolarHBondContact O-CA 3.33Å; V226-E264 HydrophobicContact CB-CB 4.13Å; V226-E264 HydrophobicContact CG1-CB 4.17Å; V226-E264 PolarHBondContact O-N 2.92Å
227I90.4Very high80.7Confident38 Ų3864.2 Ų64.220%0.19536%0.362CS..EExtended strand (participates in β ladder)trans-99.7121.8-179.4-58.6169.1000109.6L218 F221 V230 V261 F263L218-I227 HydrophobicContact CD2-CD1 3.81Å; L218-I227 HydrophobicContact CD2-CG2 4.39Å; F221-I227 HydrophobicContact CB-CD1 3.75Å; I227-V230 HydrophobicContact CG2-CG2 3.56Å; I227-V261 HydrophobicContact CD1-CG1 4.31Å; I227-V261 HydrophobicContact CG1-CG1 4.23Å; I227-V261 HydrophobicContact CG2-CG1 3.9Å; I227-F263 HydrophobicContact CG1-CD1 4.1Å; I227-F263 HydrophobicContact CG1-CE1 4.06Å
228S87.1Confident79.1Confident82 Ų8272 Ų7257%0.57340%0.398SS*.EExtended strand (participates in β ladder)trans-84.1-37179.2-177.90000113.2E262S228-E262 CarbonylContact C-O 3.52Å; S228-E262 WeakPolarHBondContact CA-O 3.3Å; S228-E262 WeakPolarHBondContact CB-O 3.4Å; S228-E262 PolarHBondContact N-O 3.03Å
229S81.9Confident78.1Confident42 Ų4269.3 Ų69.329%0.29438%0.384SS..EExtended strand (participates in β ladder)trans-158.6144.8178.2-1680000111.5R231 E262S229-R231 PolarHBondContact OG-NH1 2.85Å; S229-E262 PolarHBondContact N-O 2.86Å; S229-E262 PolarHBondContact O-N 2.82Å
230V85.4Confident77Confident25 Ų2564.2 Ų64.215%0.15237%0.368CS..EExtended strand (participates in β ladder)trans-125.8131.3168.3-174.20000109.4M214 L217 L218 I227 I260 V261M214-V230 HydrophobicContact CE-CB 3.86Å; M214-V230 HydrophobicContact CE-CG1 3.85Å; M214-V230 HydrophobicContact SD-CB 3.49Å; M214-V230 WeakPolarHBondContact SD-CB 3.35Å; M214-V230 HydrophobicContact SD-CG1 3.52Å; M214-V230 VanDerWaalsContact SD-CG1 3.52Å; M214-V230 HydrophobicContact SD-CG2 4.05Å; L217-V230 HydrophobicContact CD1-CG1 4.12Å; L218-V230 HydrophobicContact CD2-CG2 3.98Å; I227-V230 HydrophobicContact CG2-CG2 3.56Å; V230-I260 CarbonylContact C-O 3.58Å; V230-I260 WeakPolarHBondContact CA-O 3.44Å; V230-V261 HydrophobicContact CG1-CG2 4.27Å; V230-V261 HydrophobicContact CG2-CG1 4.41Å; V230-V261 HydrophobicContact CG2-CG2 4.43Å
231R81.2Confident75.8Confident93 Ų9366.2 Ų66.235%0.35139%0.385SS..EExtended strand (participates in β ladder)trans-128.9108.4-177.2-61.1-170.7-73.3-89.37.7110.3S229 A259 I260 E262S229-R231 PolarHBondContact OG-NH1 2.85Å; R231-A259 CarbonylContact O-C 3.58Å; R231-A259 WeakPolarHBondContact O-CA 3.26Å; R231-I260 PolarHBondContact N-O 3.33Å; R231-I260 PolarHBondContact O-N 3.03Å; R231-E262 IonicContact CZ-OE2 3.79Å; R231-E262 VanDerWaalsContact CZ-OE2 3.3Å; R231-E262 IonicContact NH1-OE2 2.8Å; R231-E262 PolarHBondContact NH1-OE2 2.77Å; R231-E262 IonicContact NH2-OE2 3.11Å; R231-E262 PolarHBondContact NH2-OE2 3.43Å
232I82.4Confident74.6Confident36 Ų3668.3 Ų68.319%0.18540%0.396CS..EExtended strand (participates in β ladder)trans-85130.6176.2-60166.9000109.7Q210 V213 M214 A259Q210-I232 HydrophobicContact CB-CD1 4.12Å; V213-I232 HydrophobicContact CB-CD1 4.42Å; V213-I232 HydrophobicContact CG1-CD1 4.08Å; M214-I232 HydrophobicContact CB-CD1 4.38Å; M214-I232 HydrophobicContact CE-CD1 4.02Å; M214-I232 HydrophobicContact CE-CG1 4.32Å; I232-A259 HydrophobicContact CG1-CB 4.38Å
233L75.1Confident73.7Confident21 Ų2166.6 Ų66.611%0.1138%0.376CS..EExtended strand (participates in β ladder)trans-119112.7-170.9-177.470000109.8L239 I243 V253 C258L233-L239 HydrophobicContact CD1-CD2 3.82Å; L233-L239 HydrophobicContact CD2-CD2 3.94Å; L233-L239 HydrophobicContact CG-CD2 4.13Å; L233-I243 HydrophobicContact CD1-CD1 4.47Å; L233-I243 HydrophobicContact CD2-CD1 4.42Å; L233-I243 HydrophobicContact CD2-CG2 3.97Å; L233-V253 HydrophobicContact CD2-CG1 3.85Å; L233-C258 WeakPolarHBondContact CA-O 3.24Å; L233-C258 HydrophobicContact CB-CB 4.4Å; L233-C258 WeakPolarHBondContact CB-O 3.49Å; L233-C258 HydrophobicContact CD2-CB 4.28Å; L233-C258 PolarHBondContact N-O 2.89Å; L233-C258 PolarHBondContact O-N 3.16Å; L233-C258 VanDerWaalsContact O-N 3.16Å
234K72.4Confident72.4Confident67 Ų6768.3 Ų68.329%0.29137%0.37SS..  trans-79.5148.2179.4-62.4-163.3177.4-177.70111.6Q210Q210-K234 VanDerWaalsContact NE2-CE 3.35Å
235P67.3Low71.2Confident58 Ų5873.4 Ų73.438%0.37739%0.388SS..THydrogen-bonded Turntrans-71.5152.9-178.834.2-36.4000109.2R237 G254 E257P235-R237 PolarHBondContact O-N 2.85Å; P235-G254 WeakPolarHBondContact CA-O 3.49Å; P235-E257 VanDerWaalsContact CD-CG 3.43Å; P235-E257 HydrophobicContact CG-CG 4.32Å
236G58.2Low70.2Confident77 Ų7773.3 Ų73.379%0.79438%0.383SS*.THydrogen-bonded Turntrans65.84.8177.800000116.4G254G236-G254 PolarHBondContact N-O 2.91Å
237R60.5Low68.9Low186 Ų18670.8 Ų70.870%0.70237%0.369SS*.SBendtrans-90.7147.9167-72.3-162.3172-137.4-4.6110.8P235 L239P235-R237 PolarHBondContact O-N 2.85Å; R237-L239 PolarHBondContact O-N 3.01Å
238E50Low67.4Low167 Ų16774.2 Ų74.278%0.7840%0.396SS*.PPolyproline II helixtrans-56.8126.4174.5-81-141.8122.300110.9R244E238-R244 IonicContact OE1-NH1 2.9Å
239L63.8Low66.1Low24 Ų2476.6 Ų76.613%0.12639%0.393CS..PPolyproline II helixtrans-76.6137.6-178.4-50-179.5000109.6L233 R237 I243 R244 S247 V253L233-L239 HydrophobicContact CD1-CD2 3.82Å; L233-L239 HydrophobicContact CD2-CD2 3.94Å; L233-L239 HydrophobicContact CG-CD2 4.13Å; R237-L239 PolarHBondContact O-N 3.01Å; L239-I243 HydrophobicContact CB-CB 4.29Å; L239-I243 HydrophobicContact CB-CG2 4.27Å; L239-I243 HydrophobicContact CD1-CG2 4.34Å; L239-R244 HydrophobicContact CB-CG 3.76Å; L239-R244 VanDerWaalsContact O-CD 3.27Å; L239-R244 WeakPolarHBondContact O-CD 3.34Å; L239-R244 VanDerWaalsContact O-CG 3.23Å; L239-R244 WeakPolarHBondContact O-CG 3.49Å; L239-S247 VanDerWaalsContact CD1-CB 3.44Å; L239-V253 HydrophobicContact CD1-CG1 4.31Å
240P61.4Low65.4Low64 Ų6476.7 Ų76.742%0.41639%0.387SS..PPolyproline II helixtrans-47.9146.9166.6-30.635.1000112.4D242 I243 R244P240-D242 PolarHBondContact O-N 3.41Å; P240-I243 HydrophobicContact CB-CD1 4.25Å; P240-I243 HydrophobicContact CB-CG1 4.32Å; P240-I243 HydrophobicContact CG-CD1 4Å; P240-I243 WeakPolarHBondContact O-CA 3.35Å; P240-I243 PolarHBondContact O-N 2.96Å; P240-R244 PolarHBondContact O-N 3.47Å
241P58.3Low63.9Low99 Ų9979.8 Ų79.864%0.64341%0.41SS*.Hα-helixtrans-60.5-23.5-171.624.3-35.3000114.1
242D60.3Low62.8Low44 Ų4478.5 Ų78.524%0.23541%0.408CS..Hα-helixtrans-72.1-39.6171.9-68.3-43.6000113P240 R245 I246 M293P240-D242 PolarHBondContact O-N 3.41Å; D242-R245 IonicContact OD1-CZ 2.89Å; D242-R245 IonicContact OD1-NH2 2.71Å; D242-R245 PolarHBondContact OD1-NH2 2.71Å; D242-I246 WeakPolarHBondContact O-CD1 3.11Å; D242-I246 WeakPolarHBondContact O-CG1 3.2Å; D242-M293 HydrophobicContact CB-CE 3.48Å; D242-M293 VanDerWaalsContact CB-CE 3.48Å; D242-M293 HydrophobicContact CB-SD 3.73Å
243I65.8Low61.5Low11 Ų1176.9 Ų76.96%0.05640%0.4CS..Hα-helixtrans-78.5-30.5179.9-55.4177.8000111.1L233 L239 P240 R245 I246 S247 V253 I260L233-I243 HydrophobicContact CD1-CD1 4.47Å; L233-I243 HydrophobicContact CD2-CD1 4.42Å; L233-I243 HydrophobicContact CD2-CG2 3.97Å; L239-I243 HydrophobicContact CB-CB 4.29Å; L239-I243 HydrophobicContact CB-CG2 4.27Å; L239-I243 HydrophobicContact CD1-CG2 4.34Å; P240-I243 HydrophobicContact CB-CD1 4.25Å; P240-I243 HydrophobicContact CB-CG1 4.32Å; P240-I243 HydrophobicContact CG-CD1 4Å; P240-I243 WeakPolarHBondContact O-CA 3.35Å; P240-I243 PolarHBondContact O-N 2.96Å; I243-R245 VanDerWaalsContact C-N 3.27Å; I243-R245 PolarHBondContact O-N 3.13Å; I243-I246 WeakPolarHBondContact O-CG1 3.3Å; I243-I246 PolarHBondContact O-N 3.11Å; I243-S247 PolarHBondContact O-N 2.93Å; I243-V253 HydrophobicContact CG2-CG1 3.52Å; I243-I260 HydrophobicContact CD1-CD1 3.47Å; I243-I260 VanDerWaalsContact CD1-CD1 3.47Å; I243-I260 HydrophobicContact CG1-CD1 3.79Å
244R61.4Low60.4Low141 Ų14177 Ų7753%0.53241%0.406SS..Hα-helixtrans-54.9-39.4174.5-72.8178.769.1154.42.2113.2E238 L239 P240 I246E238-R244 IonicContact OE1-NH1 2.9Å; L239-R244 HydrophobicContact CB-CG 3.76Å; L239-R244 VanDerWaalsContact O-CD 3.27Å; L239-R244 WeakPolarHBondContact O-CD 3.34Å; L239-R244 VanDerWaalsContact O-CG 3.23Å; L239-R244 WeakPolarHBondContact O-CG 3.49Å; P240-R244 PolarHBondContact O-N 3.47Å; R244-I246 PolarHBondContact O-N 2.74Å
245R60Low59.8Low156 Ų15678.7 Ų78.759%0.58942%0.422SS*.Hα-helixtrans-65.8-17.8178.2-77.4-179.2-75.6162.1-3.9114.1D242 I243D242-R245 IonicContact OD1-CZ 2.89Å; D242-R245 IonicContact OD1-NH2 2.71Å; D242-R245 PolarHBondContact OD1-NH2 2.71Å; I243-R245 VanDerWaalsContact C-N 3.27Å; I243-R245 PolarHBondContact O-N 3.13Å
246I63.9Low59.8Low18 Ų1879.8 Ų79.89%0.09242%0.422CS..Hα-helixtrans-109.7-25.3-173.1-4.3169.3000111.6D242 I243 R244 S248 R249 Y250 I291 M293D242-I246 WeakPolarHBondContact O-CD1 3.11Å; D242-I246 WeakPolarHBondContact O-CG1 3.2Å; I243-I246 WeakPolarHBondContact O-CG1 3.3Å; I243-I246 PolarHBondContact O-N 3.11Å; R244-I246 PolarHBondContact O-N 2.74Å; I246-S248 PolarHBondContact O-N 2.67Å; I246-R249 CarbonylContact O-C 3.52Å; I246-R249 WeakPolarHBondContact O-CA 3.49Å; I246-R249 PolarHBondContact O-N 3.44Å; I246-Y250 HydrophobicContact CB-CD2 4.39Å; I246-Y250 HydrophobicContact CG2-CD2 3.83Å; I246-Y250 HydrophobicContact CG2-CE2 3.67Å; I246-Y250 WeakPolarHBondContact O-CD2 3.49Å; I246-Y250 PolarHBondContact O-N 3.36Å; I246-I291 HydrophobicContact CB-CD1 4.4Å; I246-I291 HydrophobicContact CD1-CD1 3.75Å; I246-I291 HydrophobicContact CD1-CG2 3.58Å; I246-I291 HydrophobicContact CG2-CD1 4.06Å; I246-M293 HydrophobicContact CD1-CG 4.48Å
247S60.9Low60.3Low37 Ų3777.5 Ų77.526%0.25939%0.391SS..Hα-helixtrans-55.3-35.4163.4-177.20000112.2L239 I243 R249 Y250 V253L239-S247 VanDerWaalsContact CD1-CB 3.44Å; I243-S247 PolarHBondContact O-N 2.93Å; S247-R249 PolarHBondContact O-N 2.9Å; S247-Y250 CarbonylContact O-C 3.59Å; S247-Y250 VanDerWaalsContact O-C 3.28Å; S247-Y250 PolarHBondContact O-N 2.62Å; S247-V253 WeakPolarHBondContact CB-O 3.45Å; S247-V253 PolarHBondContact OG-O 2.75Å
248S58.8Low61.1Low110 Ų11068.7 Ų68.777%0.76936%0.357SS*.THydrogen-bonded Turntrans-68.9-11.1170.9-49.90000115.1I246I246-S248 PolarHBondContact O-N 2.67Å
249R60Low62.7Low132 Ų13260.7 Ų60.750%0.49832%0.32SS..THydrogen-bonded Turntrans-105.3-24.5171.7-57.6-137.2-63.3-177.23.2112.7E179 I246 S247E179-R249 IonicContact OE1-CZ 3.54Å; E179-R249 IonicContact OE1-NH1 3.58Å; E179-R249 PolarHBondContact OE1-NH1 3.18Å; I246-R249 CarbonylContact O-C 3.52Å; I246-R249 WeakPolarHBondContact O-CA 3.49Å; I246-R249 PolarHBondContact O-N 3.44Å; S247-R249 PolarHBondContact O-N 2.9Å
250Y65.3Low63.7Low45 Ų4559.6 Ų59.618%0.17631%0.314CS..  trans-133.994.4-177.1-51.9-61.6000109.2L187 I246 S247 Q252 V253 V289 I291L187-Y250 HydrophobicContact CD2-CD2 4.45Å; I246-Y250 HydrophobicContact CB-CD2 4.39Å; I246-Y250 HydrophobicContact CG2-CD2 3.83Å; I246-Y250 HydrophobicContact CG2-CE2 3.67Å; I246-Y250 WeakPolarHBondContact O-CD2 3.49Å; I246-Y250 PolarHBondContact O-N 3.36Å; S247-Y250 CarbonylContact O-C 3.59Å; S247-Y250 VanDerWaalsContact O-C 3.28Å; S247-Y250 PolarHBondContact O-N 2.62Å; Y250-Q252 VanDerWaalsContact C-OE1 3.28Å; Y250-Q252 PolarHBondContact O-N 3.31Å; Y250-Q252 VanDerWaalsContact O-N 3.11Å; Y250-V253 WeakPolarHBondContact O-CB 3.48Å; Y250-V253 PolarHBondContact O-N 3.22Å; Y250-V289 HydrophobicContact CE1-CG1 3.92Å; Y250-V289 HydrophobicContact CE2-CG1 4.17Å; Y250-I291 HydrophobicContact CE2-CD1 4.37Å; Y250-I291 HydrophobicContact CE2-CG1 4.42Å
251S54.3Low64.9Low90 Ų9056.6 Ų56.663%0.62930%0.295SS*.THydrogen-bonded Turntrans-64.5-13.1-178.351.30000114.2V253 T255S251-V253 VanDerWaalsContact C-N 3.27Å; S251-T255 PolarHBondContact O-OG1 3.34Å
252Q58.1Low66.3Low65 Ų6554.3 Ų54.330%0.30428%0.276SS..THydrogen-bonded Turntrans-63.1-33.1168.6-58.4810.900111.6Y189 Y250 G254 T255 Q256Y189-Q252 HydrophobicContact CD2-CB 4.37Å; Y189-Q252 HydrophobicContact CD2-CG 4.34Å; Y189-Q252 HydrophobicContact CE2-CG 4.18Å; Y250-Q252 VanDerWaalsContact C-OE1 3.28Å; Y250-Q252 PolarHBondContact O-N 3.31Å; Y250-Q252 VanDerWaalsContact O-N 3.11Å; Q252-G254 PolarHBondContact O-N 3.09Å; Q252-T255 WeakPolarHBondContact CA-OG1 3.46Å; Q252-T255 PolarHBondContact O-N 3.27Å; Q252-T255 PolarHBondContact O-OG1 3.02Å; Q252-Q256 PolarHBondContact O-N 3.42Å; Q252-Q256 VanDerWaalsContact O-N 3.12Å
253V56.7Low67.7Low2 Ų252.3 Ų52.31%0.01227%0.265CS..BIsolated β-bridgetrans-78.293.4-176-1760000110L187 L233 L239 I243 S247 Y250 S251L187-V253 HydrophobicContact CD1-CG2 4.1Å; L187-V253 HydrophobicContact CD2-CG2 3.43Å; L187-V253 VanDerWaalsContact CD2-CG2 3.43Å; L187-V253 HydrophobicContact CG-CG2 4.42Å; L233-V253 HydrophobicContact CD2-CG1 3.85Å; L239-V253 HydrophobicContact CD1-CG1 4.31Å; I243-V253 HydrophobicContact CG2-CG1 3.52Å; S247-V253 WeakPolarHBondContact CB-O 3.45Å; S247-V253 PolarHBondContact OG-O 2.75Å; Y250-V253 WeakPolarHBondContact O-CB 3.48Å; Y250-V253 PolarHBondContact O-N 3.22Å; S251-V253 VanDerWaalsContact C-N 3.27Å
254G50.8Low68.8Low23 Ų2357.3 Ų57.324%0.23729%0.288CS..THydrogen-bonded Turntrans127.7-25-179.100000113.3P235 G236 Q252P235-G254 WeakPolarHBondContact CA-O 3.49Å; G236-G254 PolarHBondContact N-O 2.91Å; Q252-G254 PolarHBondContact O-N 3.09Å
255T61Low69.9Low103 Ų10355.9 Ų55.963%0.63229%0.287SS*.THydrogen-bonded Turntrans-90.5-31.1174.550.20000112.5S251 Q252S251-T255 PolarHBondContact O-OG1 3.34Å; Q252-T255 WeakPolarHBondContact CA-OG1 3.46Å; Q252-T255 PolarHBondContact O-N 3.27Å; Q252-T255 PolarHBondContact O-OG1 3.02Å
256Q65.9Low71Confident81 Ų8150.7 Ų50.738%0.37927%0.273SS..BIsolated β-bridgetrans-119.3162.7179.1-64.3-179.3-29.600111.6Q252 C258Q252-Q256 PolarHBondContact O-N 3.42Å; Q252-Q256 VanDerWaalsContact O-N 3.12Å; Q256-C258 PolarHBondContact O-N 3.05Å; Q256-C258 PolarHBondContact O-SG 3.04Å
257E69.9Low72Confident30 Ų3055.5 Ų55.514%0.1430%0.295CS..  trans-70.1128.2168.1-78.7-163.3163.900111L191 Y192 P235L191-E257 HydrophobicContact CD1-CB 4.46Å; Y192-E257 HydrophobicContact CD2-CB 4.45Å; Y192-E257 HydrophobicContact CE2-CB 3.82Å; Y192-E257 HydrophobicContact CE2-CG 3.93Å; Y192-E257 WeakPolarHBondContact CE2-OE2 3.21Å; Y192-E257 VanDerWaalsContact CZ-OE2 3.24Å; Y192-E257 VanDerWaalsContact OH-CD 3.26Å; Y192-E257 PolarHBondContact OH-OE2 2.9Å; P235-E257 VanDerWaalsContact CD-CG 3.43Å; P235-E257 HydrophobicContact CG-CG 4.32Å
258C77.5Confident73.2Confident0 Ų053.8 Ų53.80%028%0.283CS..EExtended strand (participates in β ladder)trans-126.1152.7179.4-54.30000109.1L187 V188 L233 Q256L187-C258 HydrophobicContact CD1-CB 3.88Å; V188-C258 CarbonylContact O-C 3.6Å; V188-C258 WeakPolarHBondContact O-CA 3.43Å; L233-C258 WeakPolarHBondContact CA-O 3.24Å; L233-C258 HydrophobicContact CB-CB 4.4Å; L233-C258 WeakPolarHBondContact CB-O 3.49Å; L233-C258 HydrophobicContact CD2-CB 4.28Å; L233-C258 PolarHBondContact N-O 2.89Å; L233-C258 PolarHBondContact O-N 3.16Å; L233-C258 VanDerWaalsContact O-N 3.16Å; Q256-C258 PolarHBondContact O-N 3.05Å; Q256-C258 PolarHBondContact O-SG 3.04Å
259A83.3Confident74.4Confident0 Ų048.5 Ų48.50%025%0.246CC..EExtended strand (participates in β ladder)trans-118.6150.7163.800000109.2V188 L191 L217 R231 I232V188-A259 HydrophobicContact CB-CB 4.44Å; V188-A259 PolarHBondContact N-O 3.04Å; V188-A259 PolarHBondContact O-N 2.89Å; V188-A259 VanDerWaalsContact O-O 3.14Å; L191-A259 HydrophobicContact CD1-CB 4.02Å; L191-A259 HydrophobicContact CD2-CB 4.35Å; L217-A259 HydrophobicContact CD1-CB 3.48Å; L217-A259 VanDerWaalsContact CD1-CB 3.48Å; L217-A259 HydrophobicContact CD2-CB 4.45Å; R231-A259 CarbonylContact O-C 3.58Å; R231-A259 WeakPolarHBondContact O-CA 3.26Å; I232-A259 HydrophobicContact CG1-CB 4.38Å
260I84.8Confident75.6Confident1 Ų144.7 Ų44.71%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-117.4118.7169.2-64-179.8000107.2M185 L186 L187 V230 R231 I243M185-I260 HydrophobicContact CE-CG2 3.5Å; M185-I260 VanDerWaalsContact CE-CG2 3.5Å; L186-I260 WeakPolarHBondContact O-CA 3.35Å; L187-I260 HydrophobicContact CD1-CD1 4.44Å; L187-I260 HydrophobicContact CD1-CG1 3.86Å; V230-I260 CarbonylContact C-O 3.58Å; V230-I260 WeakPolarHBondContact CA-O 3.44Å; R231-I260 PolarHBondContact N-O 3.33Å; R231-I260 PolarHBondContact O-N 3.03Å; I243-I260 HydrophobicContact CD1-CD1 3.47Å; I243-I260 VanDerWaalsContact CD1-CD1 3.47Å; I243-I260 HydrophobicContact CG1-CD1 3.79Å
261V86.6Confident76.5Confident0 Ų047.3 Ų47.30%025%0.247CC..EExtended strand (participates in β ladder)trans-102.1118.7175.3-177.70000107.3M185 L186 V188 F221 I227 V230 F263M185-V261 CarbonylContact C-O 3.57Å; M185-V261 WeakPolarHBondContact CA-O 3.35Å; L186-V261 PolarHBondContact N-O 2.89Å; L186-V261 PolarHBondContact O-N 2.97Å; V188-V261 HydrophobicContact CG2-CG2 4.25Å; F221-V261 HydrophobicContact CB-CG1 4.36Å; F221-V261 HydrophobicContact CD2-CG1 4.47Å; F221-V261 HydrophobicContact CD2-CG2 3.88Å; F221-V261 HydrophobicContact CE2-CG2 4.17Å; F221-V261 HydrophobicContact CG-CG1 4.49Å; I227-V261 HydrophobicContact CD1-CG1 4.31Å; I227-V261 HydrophobicContact CG1-CG1 4.23Å; I227-V261 HydrophobicContact CG2-CG1 3.9Å; V230-V261 HydrophobicContact CG1-CG2 4.27Å; V230-V261 HydrophobicContact CG2-CG1 4.41Å; V230-V261 HydrophobicContact CG2-CG2 4.43Å; V261-F263 HydrophobicContact CB-CE2 4.25Å; V261-F263 HydrophobicContact CG1-CD2 4.08Å; V261-F263 HydrophobicContact CG1-CE1 4.39Å; V261-F263 HydrophobicContact CG1-CE2 3.64Å; V261-F263 HydrophobicContact CG1-CZ 3.83Å
262E87.6Confident77.9Confident52 Ų5243 Ų4324%0.24322%0.217CC..EExtended strand (participates in β ladder)trans-107112.1176.8-174.3167.8173.500107.4K184 M185 S228 S229 R231K184-E262 CarbonylContact O-C 3.28Å; K184-E262 WeakPolarHBondContact O-CA 3.49Å; M185-E262 HydrophobicContact CG-CB 4.07Å; M185-E262 HydrophobicContact CG-CG 3.74Å; S228-E262 CarbonylContact C-O 3.52Å; S228-E262 WeakPolarHBondContact CA-O 3.3Å; S228-E262 WeakPolarHBondContact CB-O 3.4Å; S228-E262 PolarHBondContact N-O 3.03Å; S229-E262 PolarHBondContact N-O 2.86Å; S229-E262 PolarHBondContact O-N 2.82Å; R231-E262 IonicContact CZ-OE2 3.79Å; R231-E262 VanDerWaalsContact CZ-OE2 3.3Å; R231-E262 IonicContact NH1-OE2 2.8Å; R231-E262 PolarHBondContact NH1-OE2 2.77Å; R231-E262 IonicContact NH2-OE2 3.11Å; R231-E262 PolarHBondContact NH2-OE2 3.43Å
263F88.6Confident79.1Confident1 Ų140.7 Ų40.70%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-83158.2178.6-67.2-93.2000111.5K184 L186 F221 V226 I227 V261 E265 A268 A269 A272K184-F263 WeakPolarHBondContact CB-O 3.2Å; K184-F263 WeakPolarHBondContact CD-O 3.31Å; K184-F263 PolarHBondContact O-N 2.7Å; L186-F263 HydrophobicContact CB-CE2 4.03Å; L186-F263 HydrophobicContact CD2-CE2 4.09Å; F221-F263 HydrophobicContact CB-CE1 4.03Å; F221-F263 HydrophobicContact CB-CZ 3.79Å; F221-F263 AromaticContact CD1-CZ 3.91Å; F221-F263 HydrophobicContact CD1-CZ 3.91Å; F221-F263 HydrophobicContact CG-CZ 4.03Å; V226-F263 CarbonylContact O-C 3.39Å; V226-F263 WeakPolarHBondContact O-CA 3.33Å; I227-F263 HydrophobicContact CG1-CD1 4.1Å; I227-F263 HydrophobicContact CG1-CE1 4.06Å; V261-F263 HydrophobicContact CB-CE2 4.25Å; V261-F263 HydrophobicContact CG1-CD2 4.08Å; V261-F263 HydrophobicContact CG1-CE1 4.39Å; V261-F263 HydrophobicContact CG1-CE2 3.64Å; V261-F263 HydrophobicContact CG1-CZ 3.83Å; F263-E265 VanDerWaalsContact CB-O 3.25Å; F263-E265 WeakPolarHBondContact CB-O 3.27Å; F263-A268 HydrophobicContact CB-CB 4.36Å; F263-A268 HydrophobicContact CD1-CB 3.79Å; F263-A268 HydrophobicContact CE1-CB 4.35Å; F263-A268 HydrophobicContact CG-CB 4.22Å; F263-A269 HydrophobicContact CB-CB 4.39Å; F263-A269 HydrophobicContact CD2-CB 3.55Å; F263-A269 HydrophobicContact CE2-CB 4.08Å; F263-A269 HydrophobicContact CG-CB 4.17Å; F263-A272 HydrophobicContact CE2-CB 4.26Å; F263-A272 HydrophobicContact CZ-CB 3.75Å
264E89.3Confident80.3Confident116 Ų11645.7 Ų45.754%0.54223%0.229SC..SBendtrans-74.2-42.4167.3-179.7161.6-15500111K184 V226K184-E264 WeakPolarHBondContact CD-O 3.46Å; K184-E264 WeakPolarHBondContact CE-O 3.46Å; K184-E264 PolarHBondContact NZ-O 3.22Å; V226-E264 HydrophobicContact CB-CB 4.13Å; V226-E264 HydrophobicContact CG1-CB 4.17Å; V226-E264 PolarHBondContact O-N 2.92Å
265E84.8Confident81.8Confident112 Ų11248.7 Ų48.752%0.52324%0.236SC..SBendtrans-93.3151.9176.4-68.4-167.415800112.7F263 A268F263-E265 VanDerWaalsContact CB-O 3.25Å; F263-E265 WeakPolarHBondContact CB-O 3.27Å; E265-A268 HydrophobicContact CB-CB 4Å
266V84.1Confident82.6Confident47 Ų4743.9 Ų43.929%0.28521%0.207SC..Hα-helixtrans-83.8-36.4179.1-171.90000111.2P182 K184 A269 I270P182-V266 HydrophobicContact CB-CG1 3.53Å; P182-V266 WeakPolarHBondContact O-CG1 3.24Å; K184-V266 HydrophobicContact CD-CG2 4.49Å; K184-V266 HydrophobicContact CG-CG2 3.76Å; V266-A269 PolarHBondContact O-N 2.98Å; V266-I270 PolarHBondContact O-N 3.42Å
267E82.9Confident82.9Confident119 Ų11943.6 Ų43.656%0.55621%0.207SC*.Hα-helixtrans-66.2-37.6176.9-61.3-177.9-15800112.3A269 I270 K271E267-A269 VanDerWaalsContact C-N 3.28Å; E267-A269 PolarHBondContact O-N 3.22Å; E267-I270 PolarHBondContact O-N 3.04Å; E267-I270 VanDerWaalsContact O-N 3.12Å; E267-K271 WeakPolarHBondContact O-CG 3.27Å; E267-K271 PolarHBondContact O-N 3.28Å; E267-K271 IonicContact OE2-NZ 3.86Å; E267-K271 PolarHBondContact OE2-NZ 2.89Å
268A87.1Confident82.9Confident0 Ų047.2 Ų47.20%023%0.231CC..Hα-helixtrans-55.4-43.7174.100000112F224 F263 E265 I270 A272F224-A268 WeakPolarHBondContact O-CA 3.48Å; F224-A268 VanDerWaalsContact O-CB 3.23Å; F224-A268 WeakPolarHBondContact O-CB 3.22Å; F263-A268 HydrophobicContact CB-CB 4.36Å; F263-A268 HydrophobicContact CD1-CB 3.79Å; F263-A268 HydrophobicContact CE1-CB 4.35Å; F263-A268 HydrophobicContact CG-CB 4.22Å; E265-A268 HydrophobicContact CB-CB 4Å; A268-I270 VanDerWaalsContact C-N 3.33Å; A268-I270 PolarHBondContact O-N 2.84Å; A268-A272 WeakPolarHBondContact O-CB 3.47Å; A268-A272 PolarHBondContact O-N 3.41Å
269A84.9Confident82.5Confident0 Ų051.6 Ų51.60%025%0.252CS..Hα-helixtrans-67.1-31.9177.700000113S183 F263 V266 E267 H273 L290S183-A269 WeakPolarHBondContact O-CB 3.49Å; F263-A269 HydrophobicContact CB-CB 4.39Å; F263-A269 HydrophobicContact CD2-CB 3.55Å; F263-A269 HydrophobicContact CE2-CB 4.08Å; F263-A269 HydrophobicContact CG-CB 4.17Å; V266-A269 PolarHBondContact O-N 2.98Å; E267-A269 VanDerWaalsContact C-N 3.28Å; E267-A269 PolarHBondContact O-N 3.22Å; A269-H273 VanDerWaalsContact O-CB 3.31Å; A269-H273 WeakPolarHBondContact O-CB 3.47Å; A269-H273 PolarHBondContact O-N 3.03Å; A269-H273 VanDerWaalsContact O-N 3.13Å; A269-L290 HydrophobicContact CB-CD2 3.99Å
270I83.3Confident81.3Confident51 Ų5153.4 Ų53.426%0.26226%0.264SS..Hα-helixtrans-73.4-50.8175.9-64166.8000110.2P182 V266 E267 A268 A272 H273 E274 L290P182-I270 HydrophobicContact CB-CD1 4.23Å; V266-I270 PolarHBondContact O-N 3.42Å; E267-I270 PolarHBondContact O-N 3.04Å; E267-I270 VanDerWaalsContact O-N 3.12Å; A268-I270 VanDerWaalsContact C-N 3.33Å; A268-I270 PolarHBondContact O-N 2.84Å; I270-A272 VanDerWaalsContact C-N 3.29Å; I270-A272 PolarHBondContact O-N 2.61Å; I270-H273 WeakPolarHBondContact O-CA 3.41Å; I270-H273 WeakPolarHBondContact O-CB 3.5Å; I270-H273 PolarHBondContact O-N 3.49Å; I270-E274 HydrophobicContact CG2-CG 4.45Å; I270-E274 WeakPolarHBondContact O-CG 3.18Å; I270-E274 PolarHBondContact O-N 3.48Å; I270-L290 HydrophobicContact CG1-CD1 4.2Å
271K84.4Confident79.8Confident100 Ų10061.3 Ų61.344%0.43530%0.301SS..Hα-helixtrans-56.3-43.4176.7-68.8162.2-172.2161.20111.4E267 F275E267-K271 WeakPolarHBondContact O-CG 3.27Å; E267-K271 PolarHBondContact O-N 3.28Å; E267-K271 IonicContact OE2-NZ 3.86Å; E267-K271 PolarHBondContact OE2-NZ 2.89Å; K271-F275 WeakPolarHBondContact O-CB 3.41Å; K271-F275 PolarHBondContact O-N 2.95Å
272A85.1Confident78Confident0 Ų064.4 Ų64.40%033%0.333CS..Hα-helixtrans-62-41.5173.600000113L186 F221 F224 F263 A268 I270 M276L186-A272 HydrophobicContact CD2-CB 3.98Å; F221-A272 HydrophobicContact CD1-CB 3.74Å; F221-A272 HydrophobicContact CE1-CB 3.94Å; F224-A272 HydrophobicContact CB-CB 4.08Å; F224-A272 HydrophobicContact CD2-CB 4Å; F224-A272 HydrophobicContact CG-CB 4.13Å; F263-A272 HydrophobicContact CE2-CB 4.26Å; F263-A272 HydrophobicContact CZ-CB 3.75Å; A268-A272 WeakPolarHBondContact O-CB 3.47Å; A268-A272 PolarHBondContact O-N 3.41Å; I270-A272 VanDerWaalsContact C-N 3.29Å; I270-A272 PolarHBondContact O-N 2.61Å; A272-M276 VanDerWaalsContact O-CG 3.26Å; A272-M276 WeakPolarHBondContact O-CG 3.22Å; A272-M276 PolarHBondContact O-N 3.36Å; A272-M276 VanDerWaalsContact O-N 3.11Å
273H82.4Confident76.1Confident16 Ų1670.2 Ų70.27%0.07436%0.358CS..Hα-helixtrans-66.5-43.6178178.5-101.8000112.4L186 A269 I270 M276 I277 L290L186-H273 HydrophobicContact CD1-CB 3.83Å; A269-H273 VanDerWaalsContact O-CB 3.31Å; A269-H273 WeakPolarHBondContact O-CB 3.47Å; A269-H273 PolarHBondContact O-N 3.03Å; A269-H273 VanDerWaalsContact O-N 3.13Å; I270-H273 WeakPolarHBondContact O-CA 3.41Å; I270-H273 WeakPolarHBondContact O-CB 3.5Å; I270-H273 PolarHBondContact O-N 3.49Å; H273-M276 PolarHBondContact O-N 2.96Å; H273-I277 WeakPolarHBondContact CE1-CD1 3.41Å; H273-I277 WeakPolarHBondContact O-CG1 3.47Å; H273-I277 PolarHBondContact O-N 3.16Å; H273-L290 HydrophobicContact CB-CD1 3.9Å; H273-L290 HydrophobicContact CB-CG 3.91Å; H273-L290 PolarHBondContact CD2-N 3Å; H273-L290 PolarHBondContact NE2-N 3.08Å
274E83Confident74.2Confident107 Ų10776.9 Ų76.950%0.539%0.389SS..Hα-helixtrans-64.1-41.3177.1-70.3170.2165.100112.2I270 I277 T278I270-E274 HydrophobicContact CG2-CG 4.45Å; I270-E274 WeakPolarHBondContact O-CG 3.18Å; I270-E274 PolarHBondContact O-N 3.48Å; E274-I277 PolarHBondContact O-N 3.31Å; E274-T278 WeakPolarHBondContact O-CB 3.44Å; E274-T278 PolarHBondContact O-N 3.46Å; E274-T278 PolarHBondContact O-OG1 3.26Å
275F82.6Confident72.8Confident86 Ų8672.7 Ų72.738%0.37737%0.37SS..Hα-helixtrans-59.1-50.4173-177.4-90.3000111.6L220 F224 K271 I277 T278 E279L220-F275 HydrophobicContact CD1-CE1 4.42Å; F224-F275 HydrophobicContact CE1-CB 3.96Å; F224-F275 AromaticContact CE1-CD2 3.95Å; F224-F275 HydrophobicContact CE1-CD2 3.95Å; F224-F275 AromaticContact CE1-CG 3.92Å; F224-F275 HydrophobicContact CE1-CG 3.92Å; F224-F275 HydrophobicContact CE2-CB 4.35Å; F224-F275 HydrophobicContact CE2-CD1 4.01Å; F224-F275 HydrophobicContact CE2-CG 4.09Å; F224-F275 HydrophobicContact CZ-CB 3.7Å; F224-F275 AromaticContact CZ-CD1 3.61Å; F224-F275 HydrophobicContact CZ-CD1 3.61Å; F224-F275 AromaticContact CZ-CD2 3.57Å; F224-F275 HydrophobicContact CZ-CD2 3.57Å; F224-F275 HydrophobicContact CZ-CE1 4.12Å; F224-F275 HydrophobicContact CZ-CE2 4.07Å; F224-F275 AromaticContact CZ-CG 3.31Å; F224-F275 HydrophobicContact CZ-CG 3.31Å; F224-F275 HydrophobicContact CZ-CZ 4.32Å; K271-F275 WeakPolarHBondContact O-CB 3.41Å; K271-F275 PolarHBondContact O-N 2.95Å; F275-I277 VanDerWaalsContact C-N 3.33Å; F275-I277 PolarHBondContact O-N 3.43Å; F275-T278 PolarHBondContact O-N 2.93Å; F275-E279 PolarHBondContact O-N 2.96Å
276M76.4Confident72.1Confident3 Ų368.9 Ų68.92%0.01535%0.353CS..Hα-helixtrans-63.5-36.2179.5-67.3-55.2-47.200112.6L220 F221 A272 H273 S280 M286 A288L220-M276 HydrophobicContact CD2-SD 3.8Å; F221-M276 HydrophobicContact CE1-CG 3.94Å; F221-M276 HydrophobicContact CE1-SD 4.19Å; F221-M276 HydrophobicContact CZ-CG 4.07Å; F221-M276 HydrophobicContact CZ-SD 4.08Å; A272-M276 VanDerWaalsContact O-CG 3.26Å; A272-M276 WeakPolarHBondContact O-CG 3.22Å; A272-M276 PolarHBondContact O-N 3.36Å; A272-M276 VanDerWaalsContact O-N 3.11Å; H273-M276 PolarHBondContact O-N 2.96Å; M276-S280 VanDerWaalsContact O-CB 3.25Å; M276-S280 WeakPolarHBondContact O-CB 3.19Å; M276-S280 PolarHBondContact O-N 3.22Å; M276-S280 PolarHBondContact O-OG 2.87Å; M276-M286 HydrophobicContact CE-CB 4.08Å; M276-M286 HydrophobicContact CE-CE 3.55Å; M276-M286 HydrophobicContact CE-CG 4.46Å; M276-M286 WeakPolarHBondContact CE-O 3.35Å; M276-M286 HydrophobicContact SD-CE 3.9Å; M276-A288 HydrophobicContact CB-CB 3.68Å; M276-A288 HydrophobicContact CG-CB 3.75Å
277I71.5Confident71.5Confident75 Ų7570.5 Ų70.539%0.38536%0.356SS..Hα-helixtrans-63.2-48.3173-75.5174000110.6H273 E274 F275 E279 S280H273-I277 WeakPolarHBondContact CE1-CD1 3.41Å; H273-I277 WeakPolarHBondContact O-CG1 3.47Å; H273-I277 PolarHBondContact O-N 3.16Å; E274-I277 PolarHBondContact O-N 3.31Å; F275-I277 VanDerWaalsContact C-N 3.33Å; F275-I277 PolarHBondContact O-N 3.43Å; I277-E279 PolarHBondContact O-N 3.32Å; I277-S280 PolarHBondContact O-N 3.31Å; I277-S280 PolarHBondContact O-OG 3.26Å
278T71.3Confident71.2Confident106 Ų10665.3 Ų65.365%0.6533%0.333SS*.Hα-helixtrans-61.5-43.9-178-57.60000111.4E274 F275E274-T278 WeakPolarHBondContact O-CB 3.44Å; E274-T278 PolarHBondContact O-N 3.46Å; E274-T278 PolarHBondContact O-OG1 3.26Å; F275-T278 PolarHBondContact O-N 2.93Å
279E68.1Low70.7Confident92 Ų9266.5 Ų66.543%0.4334%0.34SS..Hα-helixtrans-66.8-36176.8-159.2-174.8-149.300111.9F275 I277 Q281 G282 N285F275-E279 PolarHBondContact O-N 2.96Å; I277-E279 PolarHBondContact O-N 3.32Å; E279-Q281 PolarHBondContact O-N 3.03Å; E279-Q281 VanDerWaalsContact O-N 3.11Å; E279-G282 PolarHBondContact O-N 3.46Å; E279-N285 VanDerWaalsContact C-ND2 3.26Å; E279-N285 WeakPolarHBondContact CB-ND2 3.48Å; E279-N285 WeakPolarHBondContact CG-ND2 3.34Å; E279-N285 PolarHBondContact O-ND2 3.16Å; E279-N285 PolarHBondContact O-OD1 3.17Å; E279-N285 PolarHBondContact OE2-ND2 2.85Å
280S59Low70.4Confident38 Ų3866.9 Ų66.927%0.26634%0.343SS..THydrogen-bonded Turntrans-67.2-7.6-176.275.10000116.2M276 I277 G282 N285M276-S280 VanDerWaalsContact O-CB 3.25Å; M276-S280 WeakPolarHBondContact O-CB 3.19Å; M276-S280 PolarHBondContact O-N 3.22Å; M276-S280 PolarHBondContact O-OG 2.87Å; I277-S280 PolarHBondContact O-N 3.31Å; I277-S280 PolarHBondContact O-OG 3.26Å; S280-G282 VanDerWaalsContact C-N 3.29Å; S280-N285 PolarHBondContact N-ND2 2.79Å
281Q52.9Low69.9Low166 Ų16664.7 Ų64.778%0.77633%0.331SS*.THydrogen-bonded Turntrans-73-20.7173.3-70.1-72.1-23.800112.9E279E279-Q281 PolarHBondContact O-N 3.03Å; E279-Q281 VanDerWaalsContact O-N 3.11Å
282G47.8Very low69Low65 Ų6561.9 Ų61.967%0.6733%0.331SS*.THydrogen-bonded Turntrans-99.3-32.7-168.300000116.5E279 S280E279-G282 PolarHBondContact O-N 3.46Å; S280-G282 VanDerWaalsContact C-N 3.29Å
283K47.8Very low67.7Low175 Ų17564.1 Ų64.176%0.76134%0.342SS*.SBendtrans-150.1178.4-167.8-65.4-178.3-177.5158.50111.5N285K283-N285 PolarHBondContact O-N 3.44Å; K283-N285 PolarHBondContact O-OD1 2.78Å
284E49.1Very low65.9Low141 Ų14171 Ų7166%0.65937%0.372SS*.SBendtrans-75.341.9171.4-61.8179.5140.600112.2L193L193-E284 HydrophobicContact CD1-CB 4Å; L193-E284 WeakPolarHBondContact CD1-O 3.41Å; L193-E284 HydrophobicContact CD2-CB 3.68Å; L193-E284 WeakPolarHBondContact CD2-O 3.27Å; L193-E284 HydrophobicContact CG-CB 4.45Å
285N59.3Low63.9Low27 Ų2771.2 Ų71.214%0.14438%0.382CS..  trans-83155.8-178.556.6-63.9000112.9E279 S280 K283E279-N285 VanDerWaalsContact C-ND2 3.26Å; E279-N285 WeakPolarHBondContact CB-ND2 3.48Å; E279-N285 WeakPolarHBondContact CG-ND2 3.34Å; E279-N285 PolarHBondContact O-ND2 3.16Å; E279-N285 PolarHBondContact O-OD1 3.17Å; E279-N285 PolarHBondContact OE2-ND2 2.85Å; S280-N285 PolarHBondContact N-ND2 2.79Å; K283-N285 PolarHBondContact O-N 3.44Å; K283-N285 PolarHBondContact O-OD1 2.78Å
286M70.4Confident61.9Low33 Ų3371.1 Ų71.116%0.16339%0.39CS..  trans-41134.2178.5-172.9-17977.600112.7V188 Y189 D190 L191 L217 L220 F221 M276V188-M286 HydrophobicContact CG1-CE 3.55Å; V188-M286 HydrophobicContact CG1-CG 3.4Å; V188-M286 HydrophobicContact CG1-SD 3.3Å; V188-M286 WeakPolarHBondContact CG1-SD 3.4Å; Y189-M286 WeakPolarHBondContact O-CG 3.44Å; D190-M286 WeakPolarHBondContact O-CA 3.36Å; L191-M286 HydrophobicContact CD2-CG 4.15Å; L191-M286 HydrophobicContact CD2-SD 3.64Å; L217-M286 HydrophobicContact CD2-CE 4.41Å; L217-M286 HydrophobicContact CD2-SD 4.19Å; L220-M286 HydrophobicContact CD2-CE 3.5Å; F221-M286 HydrophobicContact CE2-CE 3.97Å; F221-M286 HydrophobicContact CZ-CE 3.88Å; M276-M286 HydrophobicContact CE-CB 4.08Å; M276-M286 HydrophobicContact CE-CE 3.55Å; M276-M286 HydrophobicContact CE-CG 4.46Å; M276-M286 WeakPolarHBondContact CE-O 3.35Å; M276-M286 HydrophobicContact SD-CE 3.9Å
287K71.7Confident59.9Low80 Ų8080.8 Ų80.835%0.34843%0.432SS..EExtended strand (participates in β ladder)trans-109.2137.1-173.5-74.1163.6-174.71580111.1V188 Y189V188-K287 CarbonylContact C-O 3.5Å; V188-K287 WeakPolarHBondContact CA-O 3.42Å; Y189-K287 HydrophobicContact CD1-CB 4.31Å; Y189-K287 WeakPolarHBondContact CD1-O 3.22Å; Y189-K287 HydrophobicContact CD2-CB 4.18Å; Y189-K287 HydrophobicContact CE1-CB 3.81Å; Y189-K287 HydrophobicContact CE2-CB 3.66Å; Y189-K287 HydrophobicContact CE2-CD 4.11Å; Y189-K287 HydrophobicContact CE2-CG 4.49Å; Y189-K287 HydrophobicContact CG-CB 4.47Å; Y189-K287 VanDerWaalsContact CZ-CB 3.45Å; Y189-K287 PolarHBondContact N-O 3.16Å; Y189-K287 PolarHBondContact O-N 3Å
288A76.2Confident58.4Low10 Ų1086.7 Ų86.78%0.08346%0.455CS..EExtended strand (participates in β ladder)trans-124.2145.7-177.700000112.3L186 L187 V188 M276L186-A288 HydrophobicContact CD1-CB 3.97Å; L186-A288 HydrophobicContact CD2-CB 4.19Å; L186-A288 HydrophobicContact CG-CB 4.12Å; L187-A288 CarbonylContact O-C 3.42Å; L187-A288 WeakPolarHBondContact O-CA 3.5Å; V188-A288 HydrophobicContact CG2-CB 4.4Å; M276-A288 HydrophobicContact CB-CB 3.68Å; M276-A288 HydrophobicContact CG-CB 3.75Å
289V78Confident57Low25 Ų2590.7 Ų90.715%0.15246%0.463CS..EExtended strand (participates in β ladder)trans-143.4126-177.6169.60000109.3L187 Y189 Y250L187-V289 WeakPolarHBondContact CB-O 3.34Å; L187-V289 PolarHBondContact N-O 3.32Å; L187-V289 PolarHBondContact O-N 3.48Å; Y189-V289 HydrophobicContact CE1-CG2 3.97Å; Y250-V289 HydrophobicContact CE1-CG1 3.92Å; Y250-V289 HydrophobicContact CE2-CG1 4.17Å
290L78.8Confident55.5Low9 Ų992.4 Ų92.45%0.04748%0.482CS..EExtended strand (participates in β ladder)trans-62.3141.5174.6-83.6159.1000111.7N180 S183 L186 A269 I270 H273N180-L290 HydrophobicContact CB-CB 3.91Å; N180-L290 PolarHBondContact ND2-O 3.25Å; N180-L290 PolarHBondContact OD1-O 2.9Å; S183-L290 WeakPolarHBondContact O-CD2 3.19Å; L186-L290 HydrophobicContact CD1-CD2 4.46Å; L186-L290 HydrophobicContact CD1-CG 4.28Å; A269-L290 HydrophobicContact CB-CD2 3.99Å; I270-L290 HydrophobicContact CG1-CD1 4.2Å; H273-L290 HydrophobicContact CB-CD1 3.9Å; H273-L290 HydrophobicContact CB-CG 3.91Å; H273-L290 PolarHBondContact CD2-N 3Å; H273-L290 PolarHBondContact NE2-N 3.08Å
291I73Confident54.3Low4 Ų495.2 Ų95.22%0.02151%0.508CS..EExtended strand (participates in β ladder)trans-126.4110.5-178.4-75.4-160.4000112.3S183 M185 L187 I246 Y250 M293S183-I291 VanDerWaalsContact CB-O 3.32Å; S183-I291 WeakPolarHBondContact CB-O 3.43Å; M185-I291 HydrophobicContact CB-CB 4.43Å; M185-I291 PolarHBondContact O-N 3.33Å; L187-I291 HydrophobicContact CB-CD1 3.51Å; L187-I291 HydrophobicContact CB-CG1 3.87Å; L187-I291 HydrophobicContact CD1-CD1 4.45Å; L187-I291 HydrophobicContact CD2-CD1 4.05Å; L187-I291 HydrophobicContact CG-CD1 4.21Å; I246-I291 HydrophobicContact CB-CD1 4.4Å; I246-I291 HydrophobicContact CD1-CD1 3.75Å; I246-I291 HydrophobicContact CD1-CG2 3.58Å; I246-I291 HydrophobicContact CG2-CD1 4.06Å; Y250-I291 HydrophobicContact CE2-CD1 4.37Å; Y250-I291 HydrophobicContact CE2-CG1 4.42Å; I291-M293 HydrophobicContact CG2-CG 4.13Å; I291-M293 PolarHBondContact O-N 3.37Å; I291-M293 VanDerWaalsContact O-N 3.1Å
292G63.6Low53.5Low41 Ų4196.8 Ų96.842%0.42351%0.512SS..  trans-79.877.6174.300000114.7S183S183-G292 WeakPolarHBondContact OG-CA 3.47Å; S183-G292 PolarHBondContact OG-N 3.37Å
293M59.3Low52.9Low47 Ų47100.7 Ų100.723%0.23252%0.518CS..PPolyproline II helixtrans-78.9119.8163.1-81.9179.547.700111.1M185 D242 I246 I291M185-M293 HydrophobicContact CE-CE 4.32Å; M185-M293 HydrophobicContact CE-CG 4.43Å; M185-M293 HydrophobicContact CE-SD 3.41Å; M185-M293 WeakPolarHBondContact CE-SD 3.35Å; M185-M293 HydrophobicContact SD-CB 3.85Å; M185-M293 HydrophobicContact SD-CE 4.11Å; M185-M293 HydrophobicContact SD-CG 4.11Å; M185-M293 HydrophobicContact SD-SD 3.61Å; M185-M293 VanDerWaalsContact SD-SD 3.61Å; D242-M293 HydrophobicContact CB-CE 3.48Å; D242-M293 VanDerWaalsContact CB-CE 3.48Å; D242-M293 HydrophobicContact CB-SD 3.73Å; I246-M293 HydrophobicContact CD1-CG 4.48Å; I291-M293 HydrophobicContact CG2-CG 4.13Å; I291-M293 PolarHBondContact O-N 3.37Å; I291-M293 VanDerWaalsContact O-N 3.1Å
294K44.4Very low52.3Low162 Ų162102 Ų10270%0.70452%0.523SS*.PPolyproline II helixtrans-68.2125.3159.1-69-174.1178.3-177.20107.8
295P41.2Very low51.3Low110 Ų110101.6 Ų101.671%0.71453%0.526SS*.PPolyproline II helixtrans-60.8134.7-175.823.3-33.4000110.3K297P295-K297 PolarHBondContact O-N 3.25Å
296P40.6Very low50Low84 Ų84107.4 Ų107.455%0.54555%0.551SS.*PPolyproline II helixtrans-61124.6172.725.6-32.5000108.4K298P296-K298 PolarHBondContact O-N 3.31Å
297K33.8Very low48Very low206 Ų206111.6 Ų111.690%0.89658%0.575SS**  trans-64.194.6179.9-71.2-171.3176.2-172.60109.5P295 K299P295-K297 PolarHBondContact O-N 3.25Å; K297-K299 PolarHBondContact O-N 3.23Å
298K40.4Very low46.1Very low199 Ų199116.5 Ų116.587%0.86560%0.599SS**  trans-54.5112.4173.8-70.1-175.4178.1-179.80108.6P296P296-K298 PolarHBondContact O-N 3.31Å
299K41.4Very low43.9Very low191 Ų191124.2 Ų124.283%0.8363%0.633SS**PPolyproline II helixtrans-67.7134.4156.9-67-177.8179.2179.90106.4K297 A301K297-K299 PolarHBondContact O-N 3.23Å; K299-A301 PolarHBondContact O-N 2.98Å
300P36.2Very low42.2Very low127 Ų127127.4 Ų127.483%0.82565%0.654SS**PPolyproline II helixtrans-62.9129.9171.526.9-32.7000108.8
301A35.3Very low39.8Very low97 Ų97133.9 Ų133.980%0.80270%0.695SS**PPolyproline II helixtrans-72155168.300000109.7K299K299-A301 PolarHBondContact O-N 2.98Å
302K34.8Very low38.1Very low200 Ų200138.8 Ų138.887%0.8774%0.735SS**  trans-139.5123.7167.9-178.4170.3-177.7172.20108.1
303D35.5Very low36.6Very low147 Ų147142 Ų14279%0.78675%0.751SS**  trans-68.2143.8-170.5-57-80.2000114.2
304K35.3Very low35.7Very low201 Ų201147 Ų14787%0.87478%0.777SS**  trans-178.9141130.8-99.9173.8-178.6-167.10109.9
305N28.9Very low35.3Very low134 Ų134147.6 Ų147.672%0.71778%0.782SS**  trans-85.8-176.9166-57-0.8000109
306H31.1Very low35.1Very low148 Ų148149.3 Ų149.369%0.68579%0.785SS**  cis-146.6170.114.5-98.6-73.8000107
307D28.3Very low34.9Very low122 Ų122153.3 Ų153.365%0.65280%0.802SS**  cis-159.1-176.68.8-129-24.7000112.8
308E31.7Very low35.3Very low182 Ų182153 Ų15385%0.8580%0.801SS**  trans69.1165.3161.3-70.7-66.7113.600119.5
309E30.8Very low35.5Very low173 Ų173148.8 Ų148.881%0.80880%0.796SS**  trans-114.4-153.1-163.8-151.3-136.6166.600114.9
310P42.4Very low35.8Very low92 Ų92147.3 Ų147.360%0.59780%0.796SS**  -97.1148.9-112.237.9-27.3000115.3
311T28.5Very low36.5Very low145 Ų145147.7 Ų147.789%0.8979%0.791SS**  trans-140.3143.3151.944.40000111.6
312A36.3Very low37.2Very low106 Ų106150.7 Ų150.788%0.87679%0.786SS**  trans-81.5137.8-177.100000112.3
313S31.6Very low37.7Very low108 Ų108151.7 Ų151.776%0.75579%0.785SS**  trans-147.3121.4157.854.20000112.4
314I41.6Very low38.3Very low153 Ų153150 Ų15079%0.78578%0.779SS**  trans-79.2127.6170.6-63.3161.1000107.5L316I314-L316 HydrophobicContact CG2-CG 4.5Å
315H35.5Very low38.8Very low174 Ų174148.2 Ų148.281%0.80677%0.774SS**  trans-131.4124.6165-98.3-80.5000113.5
316L38Very low39.7Very low146 Ų146148.2 Ų148.276%0.76477%0.77SS**  trans-87.3120.8-170-66.9154.2000111.3I314 K318I314-L316 HydrophobicContact CG2-CG 4.5Å; L316-K318 PolarHBondContact O-N 3.2Å
317N35.5Very low40.4Very low169 Ų169148.4 Ų148.490%0.90478%0.775SS**  trans-80.7100.7162.6-79.1-54.3000109.2S319N317-S319 PolarHBondContact O-N 3.33Å
318K42Very low41.4Very low200 Ų200150.9 Ų150.987%0.8778%0.783SS**  trans-87.296.4-161-172.9176.8-175.5174.50112.2L316L316-K318 PolarHBondContact O-N 3.2Å
319S44.3Very low41.8Very low110 Ų110151.7 Ų151.777%0.76978%0.779SS**  trans-78.6130168.748.10000111.6N317N317-S319 PolarHBondContact O-N 3.33Å
320L49.2Very low41.9Very low160 Ų160152.2 Ų152.284%0.83878%0.784SS**SBendtrans-70.1127.3165.8-86.8150.1000109.2
321N50Low41.6Very low135 Ų135151.5 Ų151.572%0.72279%0.794SS**  trans165.9-8.9145.7-85.9-9.1000114.5R323 V324N321-R323 PolarHBondContact O-N 2.84Å; N321-V324 PolarHBondContact O-N 2.98Å
322K50.1Low41.8Very low159 Ų159152.5 Ų152.569%0.69179%0.793SS**THydrogen-bonded Turntrans-58.8-7.2-171.1-143.7-153.5175.6-149.80117.4
323R45.9Very low41.5Very low222 Ų222155.2 Ų155.284%0.83879%0.788SS**THydrogen-bonded Turntrans-92.42.4-179.3-155.4-171.6-82.1175.5-8.3114.2N321N321-R323 PolarHBondContact O-N 2.84Å
324V47.3Very low41.9Very low111 Ų111156.3 Ų156.367%0.67380%0.796SS**SBendtrans-99.5-32.3176.9177.90000111.9N321N321-V324 PolarHBondContact O-N 2.98Å
325E46.8Very low41.4Very low163 Ų163154.8 Ų154.876%0.76280%0.799SS**G310 helixtrans-81.5-19.7-174.3-157.3162-155.700112.9L327E325-L327 VanDerWaalsContact C-N 3.26Å; E325-L327 PolarHBondContact O-N 3.26Å
326E46.4Very low41.2Very low134 Ų134150.9 Ų150.963%0.62680%0.796SS**G310 helixtrans-79.80.1-176.5-157.2160.4-12200113.7
327L46.3Very low40.8Very low153 Ų153152.2 Ų152.280%0.80181%0.805SS**G310 helixtrans-115.611.2-178.4-69.4177.3000114.3E325E325-L327 VanDerWaalsContact C-N 3.26Å; E325-L327 PolarHBondContact O-N 3.26Å
328Q49.1Very low40.5Very low174 Ų174149.8 Ų149.881%0.81380%0.8SS**SBendtrans-1288.3-179.3-77.3-167.4-50.600115.4
329Y39.9Very low40.1Very low198 Ų198145.3 Ų145.378%0.77680%0.795SS**  trans-14974.9178.8-141.6-85.5000114.2
330M34Very low39.7Very low184 Ų184145.2 Ų145.291%0.90679%0.794SS**  trans-151.4102.5164.2-82.9-69.697.400107.6
331G36Very low39.2Very low78 Ų78145.1 Ų145.180%0.80479%0.794SS**SBendtrans161.227-178.800000120
332D32.4Very low39.5Very low165 Ų165143.8 Ų143.888%0.88279%0.793SS**  trans-158.8178.4149.9-140.8-31.7000111.3
333E30.5Very low38.5Very low163 Ų163144.6 Ų144.676%0.76280%0.799SS**  trans6289.8177.681.1-176.6137.700118
334S38.7Very low38Very low132 Ų132139.7 Ų139.792%0.92380%0.799SS**  trans-154.3109.9151.1-78.70000110
335S31.4Very low37.5Very low120 Ų120141.9 Ų141.984%0.83981%0.807SS**  trans-112.5157.5-177.259.10000112.4
336A31.3Very low38.2Very low92 Ų92139 Ų13976%0.7680%0.802SS**  trans67.795.7171.300000118.3
337N29.8Very low37.6Very low175 Ų175139 Ų13994%0.93681%0.811SS**  -152.5168108.2-106.2-28.3000111
338S29.6Very low37.2Very low117 Ų117136.8 Ų136.882%0.81881%0.809SS**  trans-124.4176.9-156.6-165.50000114.7
339S34.3Very low37.6Very low107 Ų107133.7 Ų133.775%0.74880%0.804SS**  trans79.3135.8176-1220000116
340S34.7Very low37.4Very low107 Ų107132.7 Ų132.775%0.74881%0.809SS**  cis-149.3156.32.9-59.80000112.8
341D38.5Very low37.4Very low158 Ų158128 Ų12885%0.84580%0.799SS**  trans-83.1-177.9164.2-72.4-73.5000112.6
342P56Low37.1Very low107 Ų107128.2 Ų128.270%0.69580%0.801SS**  cis-132.4178.7-3.833.2-12.5000116.4
343E30.8Very low37.3Very low176 Ų176131.8 Ų131.882%0.82280%0.802SS**  135.6148.7119.1-161.5144.197.200117.7
344S35.3Very low37.5Very low120 Ų120133.5 Ų133.584%0.83980%0.802SS**  trans82.3117.1168.5-66.90000120.2
345N35.9Very low37.3Very low156 Ų156134.6 Ų134.683%0.83479%0.792SS**  trans-121178.3170.3-134.2-13.2000106.6
346P61.6Low37.7Very low103 Ų103137.5 Ų137.567%0.66980%0.795SS**  cis-126.5-168.2-31.641-26.1000111.1
347T32.9Very low37.9Very low133 Ų133138 Ų13882%0.81680%0.799SS**  trans172126.9131.1-75.40000112.2
348S38.8Very low38.2Very low107 Ų107135.8 Ų135.875%0.74879%0.791SS**  trans-95.9169.6170-34.90000110.1
349P56.8Low38.4Very low109 Ų109136.6 Ų136.671%0.70879%0.787SS**  -161.4171.769.643.1-21.5000119.5
350M35.8Very low38.5Very low178 Ų178139.2 Ų139.288%0.87779%0.785SS**  trans62.4168.4145.9-76.8173.366.900121.5
351A34.9Very low38.5Very low85 Ų85141.4 Ų141.470%0.70279%0.787SS**  cis-175.6141.6-43.900000111.8
352G29.1Very low38.4Very low83 Ų83139.1 Ų139.186%0.85678%0.783SS**  trans79.2165.3169.600000115.3
353R37Very low38.2Very low239 Ų239139.6 Ų139.690%0.90279%0.786SS**  cis-153.1162.518.4-162.6176.1-165-108.38.3111.1
354R34.3Very low38.4Very low200 Ų200137 Ų13776%0.75579%0.788SS**  trans-76.8157.3180-49.8175.6-61.2-146.6-1.7113.2
355H34.2Very low38.2Very low154 Ų154135 Ų13571%0.71379%0.786SS**  174.9169.3107.3-96.9-76.7000113.5
356M40.3Very low38.1Very low182 Ų182136.4 Ų136.490%0.89779%0.787SS**  trans-112.9148.2-179.1-59.6173.175.200111.1
357A34.8Very low36.9Very low102 Ų102140.6 Ų140.684%0.84380%0.798SS**  trans-140.2164.6173.600000110.9
358T37.3Very low37Very low128 Ų128141.2 Ų141.279%0.78580%0.797SS**  trans-151.1133.3-14949.10000117.8
359N32.7Very low36.9Very low134 Ų134143.3 Ų143.372%0.71780%0.798SS**  trans74.5160.8138.7-155.5-3.4000119.2
360K36.5Very low35.8Very low163 Ų163147 Ų14771%0.70980%0.803SS**  trans74.6151.8169.5-46.8-66.4-176.9168.60116.5
361L35.3Very low35.8Very low152 Ų152146.5 Ų146.580%0.79680%0.804SS**  cis-162.3178.8-20.4-113.6177.2000110.4
362S36.9Very low35.8Very low110 Ų110147.7 Ų147.777%0.76981%0.807SS**  trans-119.9157.6178.1-46.70000114.1
363P50.9Low36.5Very low117 Ų117149 Ų14976%0.7680%0.801SS**  trans-132.6148.4140.8174.4000111.5
364S34.1Very low36.2Very low122 Ų122145 Ų14585%0.85380%0.797SS**  cis99.512031.379.40000114.6
365G31.8Very low36.2Very low78 Ų78140 Ų14080%0.80480%0.798SS**  trans158.4135.5168.400000115.2
366H33.2Very low36.4Very low185 Ų185138.3 Ų138.386%0.85680%0.804SS**  trans-120.4153.2178.4-64-90.5000112.3
367Q37.7Very low36.7Very low191 Ų191135.3 Ų135.389%0.89380%0.798SS**  trans-141.6156.2148.2-71.7-162-1.700110.7
368N33.8Very low36.7Very low147 Ų147136.1 Ų136.179%0.78680%0.796SS**  trans-142.4124.3-171.8-116.1-49.1000109.4
369L38.3Very low36.5Very low150 Ų150137.1 Ų137.179%0.78580%0.802SS**  trans-149.593.5168.2-71.2-178.8000113.3
370F33.4Very low36.7Very low186 Ų186135.4 Ų135.482%0.81680%0.801SS**  trans65.1153.3136.6-66.4-73.1000125.1
371L35.3Very low37.1Very low169 Ų169133.9 Ų133.989%0.88581%0.807SS**  trans85.1103.1159.3-68.6156.6000120
372S35.5Very low36.9Very low109 Ų109136.9 Ų136.976%0.76281%0.808SS**  trans-80.7164.2154.7-45.40000110.8
373P43.8Very low36.7Very low112 Ų112137.2 Ų137.273%0.72781%0.811SS**  -150.715095.338.2-21.2000117.7
374N30.8Very low35.9Very low154 Ų154135.4 Ų135.482%0.82480%0.801SS**  trans58.2128.8138.5-61.2-12.4000124.2
375A33.4Very low36.4Very low94 Ų94135.9 Ų135.978%0.77780%0.801SS**  trans7191.7132.300000120.6
376S39.6Very low36.5Very low119 Ų119139.6 Ų139.683%0.83280%0.802SS**  trans-73.3141.6145.7-47.60000111.1
377P45.3Very low36.6Very low119 Ų119135.1 Ų135.177%0.77380%0.797SS**  trans-109.3124.7158.134.1-25.6000111.5
378C34.7Very low36.5Very low119 Ų119133.6 Ų133.680%0.80479%0.789SS**  trans-88.9143.6159.8-60.10000109.3
379T33.8Very low36.8Very low149 Ų149137.3 Ų137.391%0.91479%0.792SS**  trans-170.2157.4147.15.80000112.2
380S37.4Very low36.6Very low99 Ų99140.3 Ų140.369%0.69280%0.799SS**PPolyproline II helixtrans-101.5160.8177.951.60000112.2
381P44.3Very low36.6Very low130 Ų130134.6 Ų134.684%0.84479%0.792SS**PPolyproline II helixtrans-90.3116.2160.832.9-27.9000110.6
382W30.9Very low36.6Very low216 Ų216133.4 Ų133.482%0.81879%0.792SS**PPolyproline II helixtrans-99124.3163.2176.5-64.3000108.7S384W382-S384 PolarHBondContact NE1-OG 2.83Å
383S32.3Very low36.6Very low117 Ų117133.8 Ų133.882%0.81880%0.795SS**  trans-141.4118.2167-76.10000110.2
384S34.8Very low36.2Very low79 Ų79138.4 Ų138.455%0.55280%0.798SS**  trans-81.6171.8173.4-52.30000111.3W382W382-S384 PolarHBondContact NE1-OG 2.83Å
385P44.4Very low36.3Very low132 Ų132139.6 Ų139.686%0.85780%0.796SS**  -126.1149.5111.435.6-32.9000112.3
386L33.4Very low36.4Very low156 Ų156140.4 Ų140.482%0.81780%0.795SS**  trans-144.5118.9176.7-167130000111.9
387A35Very low36.8Very low91 Ų91140.1 Ų140.175%0.75279%0.791SS**  trans-137.6102.6160.300000105.8
388Q36.7Very low36.2Very low158 Ų158142.6 Ų142.674%0.73880%0.797SS**  59.1128.499.7-66.2-169.75.700113.1
389R39.8Very low36Very low226 Ų226141 Ų14185%0.85379%0.792SS**  cis-142.7170.835.7-61.8171.7-171.8-124.8-5113.1
390K34.8Very low35.8Very low212 Ų212142.8 Ų142.892%0.92279%0.79SS**  trans5.6137.2159.7-61.1178.5174.7-176.70118.9
391G32.8Very low35.5Very low66 Ų66145 Ų14568%0.6879%0.79SS**  cis155.7155.1-4.600000113.7
392V34.8Very low34.8Very low144 Ų144141.9 Ų141.987%0.87378%0.781SS**  trans59.2117.1171.8-1700000117.2
393S35.7Very low34.9Very low118 Ų118141.2 Ų141.283%0.82578%0.778SS**  trans-111.6126.3160.9174.40000110.1
394R34.8Very low35Very low208 Ų208143.4 Ų143.479%0.78578%0.78SS**  trans-151.1109167.7-82.5-160.9164.4-168.8-5111.9
395K34.1Very low34.7Very low179 Ų179146.7 Ų146.778%0.77879%0.791SS**  trans39.3130.8143.947.2172.4176.3172.30121.6
396S34.5Very low33.9Very low111 Ų111146.2 Ų146.278%0.77679%0.79SS**  trans-62-179.3164.1-22.20000113.8
397P49.3Very low33.7Very low114 Ų114143.5 Ų143.574%0.7478%0.784SS**  cis-138.5-165.8-1.342.1-23000115.7
398L31.2Very low33.5Very low170 Ų170145.1 Ų145.189%0.8978%0.784SS**  trans85.5171.4156.2-119.175.8000120.8
399A32.3Very low33.2Very low86 Ų86143 Ų14371%0.71179%0.787SS**  trans70.3128.5-161.400000114.1
400E29Very low34Very low186 Ų186137.5 Ų137.587%0.86978%0.781SS**  cis76.6128.946.9-165.6169.4-156.400111.2
401E30.3Very low33.8Very low146 Ų146135 Ų13568%0.68277%0.772SS**  cis-137.6173.918.4-158.6-163.3149.500111R403E401-R403 IonicContact OE1-CZ 3.91Å; E401-R403 IonicContact OE1-NE 3.24Å; E401-R403 PolarHBondContact OE1-NE 3.22Å; E401-R403 IonicContact OE1-NH2 3.69Å; E401-R403 PolarHBondContact OE1-NH2 3.4Å
402G30.1Very low33.8Very low64 Ų64137.7 Ų137.766%0.6677%0.77SS**  trans137.870.6157.500000120.8
403R32.1Very low33.6Very low203 Ų203138.4 Ų138.477%0.76676%0.762SS**  trans27.3134.7134.3-49.2175.7-168.4-105.3-10118.6E401E401-R403 IonicContact OE1-CZ 3.91Å; E401-R403 IonicContact OE1-NE 3.24Å; E401-R403 PolarHBondContact OE1-NE 3.22Å; E401-R403 IonicContact OE1-NH2 3.69Å; E401-R403 PolarHBondContact OE1-NH2 3.4Å
404L34Very low33.5Very low163 Ų163142.3 Ų142.385%0.85376%0.758SS**  cis-148.4177.741.5-75.7166.7000113.1
405N30.1Very low33.5Very low148 Ų148141.5 Ų141.579%0.79176%0.76SS**  trans-112.7-179.5-168.5-55.7-6.6000113.9
406C27.2Very low33.2Very low122 Ų122137.5 Ų137.582%0.82475%0.754SS**  trans79.8147.1164-59.30000117.4
407S28.8Very low33Very low98 Ų98139.2 Ų139.269%0.68575%0.751SS**  cis-166.8162.9-13.148.10000112.4
408T31.1Very low32.2Very low125 Ų125140.3 Ų140.377%0.76775%0.751SS**  trans43.6117.5148.852.20000122.7
409S30.9Very low32.1Very low115 Ų115143.6 Ų143.680%0.80475%0.753SS**  18.4161.2121.3-73.10000122.8
410P55.5Low32.1Very low109 Ų109144.4 Ų144.471%0.70875%0.754SS**  cis-141.7-159.4-37.737.2-15.3000113.1
411E31.8Very low32.3Very low161 Ų161141.2 Ų141.275%0.75275%0.752SS**  trans106.7114.4152.7-56.8-126.9120.700123.6
412I32.8Very low32.3Very low122 Ų122141.3 Ų141.363%0.62676%0.757SS**  trans27.4124130.9-25.9172.7000121.7
413F29.3Very low32.4Very low159 Ų159142.9 Ų142.970%0.69776%0.758SS**  174116.4113.4-109.4-110.6000117.2
414R34.9Very low32.4Very low200 Ų200138.4 Ų138.476%0.75576%0.758SS**  trans40.2110137.2-51.5-174.9-160.1-157.64.3124.2
415K33.3Very low32.6Very low190 Ų190137.1 Ų137.183%0.82676%0.756SS**  80.8144.3110.1-164.8178178.4-178.30122
416C28.3Very low32.9Very low95 Ų95136 Ų13664%0.64276%0.755SS**  trans73149.3170.6-76.30000117
417M30.8Very low33.8Very low148 Ų148136.8 Ų136.873%0.72976%0.759SS**  cis-160.1159.9-26.5-154.898.39900109.1
418D33Very low34.6Very low137 Ų137137.5 Ų137.573%0.73376%0.764SS**  trans31.2111.4157.2-55.2-24.4000121.1
419Y28.9Very low35.6Very low238 Ų238133.9 Ų133.993%0.93375%0.751SS**  -159.2151.4123.7-132.1-101.3000111.5
420S32.6Very low37.3Very low104 Ų104131 Ų13173%0.72773%0.731SS**  trans-102.3131.6-178.8-66.30000112.1
421S33.1Very low37.5Very low118 Ų118130.4 Ų130.483%0.82573%0.727SS**  171.8141.2122.7-76.90000115.2
422D28.9Very low38.5Very low149 Ų149132.4 Ų132.480%0.79773%0.728SS**  trans68.7137.8145.5-144.36.7000124.1
423S33Very low40.6Very low96 Ų96130 Ų13067%0.67172%0.719SS**  trans36109.5153.1-70.40000124.4
424S32Very low42.6Very low109 Ų109131.2 Ų131.276%0.76272%0.719SS**  -158.5101.1128.2570000109.9
425V37.3Very low44.3Very low136 Ų136130.1 Ų130.182%0.82472%0.715SS**  58.491.985.8-175.90000113.5
426T38.2Very low46Very low125 Ų125129.5 Ų129.577%0.76771%0.707SS**  trans-122.4134.8160.752.10000110.1S428T426-S428 PolarHBondContact O-N 3.13Å
427P45.5Very low48Very low139 Ų139133.1 Ų133.190%0.90371%0.707SS**SBendtrans-85.670.2-168.734.1-36.8000113.4
428S46.3Very low49.7Very low113 Ų113133.3 Ų133.379%0.7971%0.706SS**  trans-127.248.9173.4-160.50000113T426 S430T426-S428 PolarHBondContact O-N 3.13Å; S428-S430 PolarHBondContact O-N 3.04Å
429G50.8Low51.1Low49 Ų49130.3 Ų130.351%0.50570%0.701SS.*  trans-83.687.2178.300000112.7
430S66.6Low52.4Low53 Ų53125.6 Ų125.637%0.37169%0.687SS.*  trans-60.1152.3179.988.80000112.6S428 W432 V433 R434S428-S430 PolarHBondContact O-N 3.04Å; S430-W432 PolarHBondContact O-N 3.26Å; S430-V433 PolarHBondContact O-N 3.38Å; S430-R434 PolarHBondContact O-N 3.34Å
431P61.1Low53.2Low97 Ų97128.3 Ų128.363%0.6369%0.69SS**Hα-helixtrans-56.6-28.2-176.3-27.535.7000114.4R435P431-R435 PolarHBondContact O-N 3.48Å
432W51.7Low54Low203 Ų203125.4 Ų125.477%0.76968%0.679SS**Hα-helixtrans-71.5-34.6177.6-70.491.5000113.2S430 R436S430-W432 PolarHBondContact O-N 3.26Å; W432-R436 PolarHBondContact O-N 3.22Å; W432-R436 VanDerWaalsContact O-N 3.13Å
433V77.8Confident54.6Low72 Ų72124.7 Ų124.744%0.43668%0.68SS.*Hα-helixtrans-71.2-40.8178.3178.40000110.8S430 R436 R437S430-V433 PolarHBondContact O-N 3.38Å; V433-R436 PolarHBondContact O-N 3.23Å; V433-R437 PolarHBondContact O-N 2.96Å
434R70.8Confident54.9Low185 Ų185128.2 Ų128.270%0.69869%0.686SS**Hα-helixtrans-58.8-47.7172.6-94.9-177.8157.8118.5-6.4111.9S430 R436 R437 Q438S430-R434 PolarHBondContact O-N 3.34Å; R434-R436 VanDerWaalsContact C-N 3.28Å; R434-R436 PolarHBondContact O-N 3.15Å; R434-R437 PolarHBondContact O-N 3.3Å; R434-Q438 PolarHBondContact O-N 3.46Å
435R70Confident55Low177 Ų177130 Ų13067%0.66868%0.682SS**Hα-helixtrans-62.4-32.4179.7-160.2-173.7-59.3-94.53.6112.7P431P431-R435 PolarHBondContact O-N 3.48Å
436R70.1Confident54.9Low177 Ų177131 Ų13167%0.66868%0.676SS**Hα-helixtrans-69.4-50.6175.7-170.7176.5-63177.40.7112.3W432 V433 R434 Q438 A439 E440W432-R436 PolarHBondContact O-N 3.22Å; W432-R436 VanDerWaalsContact O-N 3.13Å; V433-R436 PolarHBondContact O-N 3.23Å; R434-R436 VanDerWaalsContact C-N 3.28Å; R434-R436 PolarHBondContact O-N 3.15Å; R436-Q438 VanDerWaalsContact C-N 3.26Å; R436-Q438 PolarHBondContact O-N 2.83Å; R436-A439 WeakPolarHBondContact O-CB 3.35Å; R436-A439 PolarHBondContact O-N 3.17Å; R436-E440 PolarHBondContact O-N 3.34Å
437R69.8Low54.9Low170 Ų170130.5 Ų130.564%0.64268%0.677SS**Hα-helixtrans-58.5-37.9179.4-67.5-166.5-169.9-161.64.4112.6V433 R434 A439 E440 M441V433-R437 PolarHBondContact O-N 2.96Å; R434-R437 PolarHBondContact O-N 3.3Å; R437-A439 PolarHBondContact O-N 2.82Å; R437-E440 WeakPolarHBondContact CA-OE2 3.42Å; R437-E440 PolarHBondContact O-N 3.29Å; R437-E440 VanDerWaalsContact O-N 3.17Å; R437-M441 WeakPolarHBondContact O-CG 3.35Å; R437-M441 PolarHBondContact O-N 3.16Å; R437-M441 VanDerWaalsContact O-N 3.15Å
438Q67.3Low54.9Low153 Ų153130.1 Ų130.172%0.71568%0.675SS**Hα-helixtrans-66.5-20.6177-74.1-176.7-34.200113.9R434 R436R434-Q438 PolarHBondContact O-N 3.46Å; R436-Q438 VanDerWaalsContact C-N 3.26Å; R436-Q438 PolarHBondContact O-N 2.83Å
439A62.3Low54.4Low74 Ų74128.2 Ų128.261%0.61267%0.672SS**Hα-helixtrans-82.2-34.2170.800000112.3R436 R437 M441 G442R436-A439 WeakPolarHBondContact O-CB 3.35Å; R436-A439 PolarHBondContact O-N 3.17Å; R437-A439 PolarHBondContact O-N 2.82Å; A439-M441 VanDerWaalsContact C-N 3.31Å; A439-M441 PolarHBondContact O-N 3.28Å; A439-G442 PolarHBondContact O-N 2.8Å
440E54.3Low53.5Low138 Ų138133.3 Ų133.365%0.64569%0.693SS**Hα-helixtrans-71.6-24.5179.1-68.1165.5145.100112.8R436 R437 G442R436-E440 PolarHBondContact O-N 3.34Å; R437-E440 WeakPolarHBondContact CA-OE2 3.42Å; R437-E440 PolarHBondContact O-N 3.29Å; R437-E440 VanDerWaalsContact O-N 3.17Å; E440-G442 VanDerWaalsContact C-N 3.28Å; E440-G442 PolarHBondContact O-N 3Å
441M50.3Low51.9Low162 Ų162136 Ų13680%0.79871%0.712SS**THydrogen-bonded Turntrans-84.14.5176.2-63.5172.671.500113.7R437 A439R437-M441 WeakPolarHBondContact O-CG 3.35Å; R437-M441 PolarHBondContact O-N 3.16Å; R437-M441 VanDerWaalsContact O-N 3.15Å; A439-M441 VanDerWaalsContact C-N 3.31Å; A439-M441 PolarHBondContact O-N 3.28Å
442G50Low51.5Low57 Ų57136.9 Ų136.959%0.58872%0.718SS**SBendtrans-96.32.6-164.100000117.7A439 E440A439-G442 PolarHBondContact O-N 2.8Å; E440-G442 VanDerWaalsContact C-N 3.28Å; E440-G442 PolarHBondContact O-N 3Å
443T42.2Very low50.7Low133 Ų133135.5 Ų135.582%0.81673%0.725SS**  trans-141.187-178.5520000113.1
444Q38.6Very low49Very low170 Ų170139.6 Ų139.679%0.79474%0.743SS**  trans-124.7111.6156.3-106.2-77.8-9.800107
445E33.5Very low47.4Very low147 Ų147136.5 Ų136.569%0.68775%0.75SS**  trans-164.6152.9148.2-100.4-54.281.700108.3
446K36.7Very low46.2Very low158 Ų158138.8 Ų138.869%0.68776%0.759SS**  trans-80.9152.8-158.2-48.994.1-175167.30113.7
447S36.7Very low45.2Very low114 Ų114138.5 Ų138.580%0.79776%0.762SS**  trans-66.4159.1160.8-47.50000111.2
448P46.8Very low44Very low131 Ų131138.6 Ų138.685%0.85177%0.772SS**  -124.9159.6101.636.6-33.6000112.4
449G35.3Very low43.1Very low72 Ų72136.7 Ų136.774%0.74276%0.763SS**  trans-102.4155.4178.600000113.2
450V31.3Very low42.5Very low156 Ų156137.5 Ų137.595%0.94576%0.761SS**  trans-160.6146.6150.2138.40000106.8
451S32.3Very low42.5Very low109 Ų109136.6 Ų136.676%0.76278%0.776SS**  trans-147.2164.4170.662.30000109.6
452P54.2Low42.9Very low116 Ų116133.4 Ų133.475%0.75376%0.763SS**  cis-118.2165.4-13.139.4-28.2000112.4
453L33.6Very low43.4Very low174 Ų174132.5 Ų132.591%0.91175%0.753SS**  trans-158160.3145.6-102.2-167.5000111.8
454L42.6Very low44.2Very low159 Ų159127.6 Ų127.683%0.83272%0.722SS**  trans-74.6129.5-175.7-65.1158.8000112.1
455S38.4Very low45.3Very low119 Ų119123.5 Ų123.583%0.83271%0.71SS**  159.6158.1126.5-77.40000115.8
456R43.8Very low46.5Very low226 Ų226124 Ų12485%0.85372%0.723SS**  trans76.599.5151.1-140.7171.6-153.3174.26.7119M458R456-M458 PolarHBondContact O-N 3.37Å
457K49Very low47.9Very low170 Ų170120.1 Ų120.174%0.73973%0.728SS**  trans-41.5100.8157.7177.9-176.7177.3-178.80111.9Q459K457-Q459 HydrophobicContact CG-CG 4.4Å; K457-Q459 PolarHBondContact O-N 3.07Å
458M43.9Very low49.3Very low172 Ų172117.5 Ų117.585%0.84771%0.707SS**  trans-72.696.2175.2-73.4-95.26800110.5R456R456-M458 PolarHBondContact O-N 3.37Å
459Q49.2Very low50.3Low114 Ų114119.5 Ų119.553%0.53371%0.709SS.*  trans-85141.8160.7-71.9169.493.200108.4K457K457-Q459 HydrophobicContact CG-CG 4.4Å; K457-Q459 PolarHBondContact O-N 3.07Å
460T49.6Very low51.7Low91 Ų91125.8 Ų125.856%0.55871%0.711SS**  trans-61.3160.5156.348.50000109.1D462 G463 L464T460-D462 PolarHBondContact O-N 3.24Å; T460-G463 PolarHBondContact O-N 3.06Å; T460-L464 PolarHBondContact OG1-O 3.43Å
461A54.1Low53.6Low118 Ų118121.8 Ų121.898%0.97568%0.684SS**THydrogen-bonded Turntrans-57.9-14-172.600000115.3
462D59.2Low54.8Low96 Ų96120.7 Ų120.751%0.51367%0.674SS.*THydrogen-bonded Turntrans-105.42.7179-114.6-62.6000114.6T460 L464 R479T460-D462 PolarHBondContact O-N 3.24Å; D462-L464 VanDerWaalsContact C-N 3.26Å; D462-L464 HydrophobicContact CB-CG 4.44Å; D462-L464 PolarHBondContact O-N 3.13Å; D462-R479 PolarHBondContact O-NH2 3.03Å; D462-R479 IonicContact OD1-CZ 3.85Å; D462-R479 IonicContact OD1-NH1 2.8Å; D462-R479 PolarHBondContact OD1-NH1 3.22Å; D462-R479 IonicContact OD1-NH2 2.7Å; D462-R479 PolarHBondContact OD1-NH2 2.69Å
463G60.6Low55.2Low38 Ų38123.2 Ų123.239%0.39267%0.669SS.*  trans71.29176.100000116T460T460-G463 PolarHBondContact O-N 3.06Å
464L58.3Low56.7Low29 Ų29115.4 Ų115.415%0.15263%0.63CS.*PPolyproline II helixtrans-89140.8-173.6-60.3-178.3000112.7T460 D462 V468 L471T460-L464 PolarHBondContact OG1-O 3.43Å; D462-L464 VanDerWaalsContact C-N 3.26Å; D462-L464 HydrophobicContact CB-CG 4.44Å; D462-L464 PolarHBondContact O-N 3.13Å; L464-V468 WeakPolarHBondContact CD1-O 3.38Å; L464-L471 HydrophobicContact CD2-CD1 4.03Å; L464-L471 HydrophobicContact CD2-CG 3.77Å
465P62.2Low57.8Low84 Ų84113.6 Ų113.655%0.54563%0.628SS.*PPolyproline II helixtrans-70151.7173.130.4-34.4000111.5G467 V468P465-G467 PolarHBondContact O-N 3.2Å; P465-V468 HydrophobicContact CG-CB 4.16Å; P465-V468 HydrophobicContact CG-CG2 3.89Å; P465-V468 PolarHBondContact O-N 3.47Å; P465-V468 VanDerWaalsContact O-N 3.07Å
466V59.6Low59.1Low157 Ų157113.8 Ų113.895%0.95262%0.619SS**THydrogen-bonded Turntrans-54.8126.3-177-179.30000110.9
467G64.1Low59.8Low77 Ų77108.2 Ų108.279%0.79461%0.607SS**THydrogen-bonded Turntrans95.8-9.4-178.200000115.6P465P465-G467 PolarHBondContact O-N 3.2Å
468V66.7Low60.8Low59 Ų59103.7 Ų103.736%0.35859%0.593SS.*  trans-100.8108.6177.9179.50000110.8L464 P465 L471L464-V468 WeakPolarHBondContact CD1-O 3.38Å; P465-V468 HydrophobicContact CG-CB 4.16Å; P465-V468 HydrophobicContact CG-CG2 3.89Å; P465-V468 PolarHBondContact O-N 3.47Å; P465-V468 VanDerWaalsContact O-N 3.07Å; V468-L471 HydrophobicContact CG1-CD2 4.4Å
469L67.6Low61.3Low173 Ų173101.7 Ų101.791%0.90658%0.576SS**SBendtrans-74.1-29.1-179.6-85151.9000114.2
470R64.4Low61.8Low204 Ų20497 Ų9777%0.7756%0.558SS**  trans-163.9148.9170.757.9-175.8178.391.2-4.6111
471L72.1Confident61.9Low72 Ų72100.9 Ų100.938%0.37757%0.567SS.*PPolyproline II helixtrans-76.6152.9167.5-67172.8000110.8L464 V468L464-L471 HydrophobicContact CD2-CD1 4.03Å; L464-L471 HydrophobicContact CD2-CG 3.77Å; V468-L471 HydrophobicContact CG1-CD2 4.4Å
472P58.2Low61.8Low86 Ų86103.2 Ų103.256%0.55856%0.558SS**PPolyproline II helixtrans-63.1142.7163.129-34000109.9
473R61.1Low61Low170 Ų170102.1 Ų102.164%0.64257%0.569SS**BIsolated β-bridgetrans-79.8144.7170.5-69.1-168.4178.8-167.4-2.2109.8N477 T478R473-N477 VanDerWaalsContact CD-OD1 3.26Å; R473-N477 WeakPolarHBondContact CD-OD1 3.47Å; R473-N477 PolarHBondContact NH1-OD1 2.87Å; R473-T478 WeakPolarHBondContact CA-O 3.26Å
474G66.5Low60.1Low10 Ų10109.3 Ų109.310%0.10359%0.592CS.*PPolyproline II helixtrans-70.8169.9163.600000111.5D476 N477 T478G474-D476 PolarHBondContact O-N 2.91Å; G474-N477 PolarHBondContact O-N 2.71Å; G474-N477 VanDerWaalsContact O-N 3.12Å; G474-T478 PolarHBondContact N-O 2.9Å; G474-T478 VanDerWaalsContact N-O 3.15Å
475P66.2Low59.2Low120 Ų120116.7 Ų116.778%0.77963%0.626SS**THydrogen-bonded Turntrans-57.2-31.2173.225.2-33.5000111.9N477P475-N477 PolarHBondContact O-N 2.93Å; P475-N477 VanDerWaalsContact O-N 3.13Å
476D64.3Low58.2Low124 Ų124124.1 Ų124.166%0.66364%0.643SS**THydrogen-bonded Turntrans-80.716-179.5-31.6-60.9000113.1G474 T478G474-D476 PolarHBondContact O-N 2.91Å; D476-T478 PolarHBondContact O-N 3.12Å
477N59.4Low57.2Low109 Ų109122.4 Ų122.458%0.58364%0.638SS**SBendtrans62.20.7-177.7-113.4-29.6000116.6R473 G474 P475R473-N477 VanDerWaalsContact CD-OD1 3.26Å; R473-N477 WeakPolarHBondContact CD-OD1 3.47Å; R473-N477 PolarHBondContact NH1-OD1 2.87Å; G474-N477 PolarHBondContact O-N 2.71Å; G474-N477 VanDerWaalsContact O-N 3.12Å; P475-N477 PolarHBondContact O-N 2.93Å; P475-N477 VanDerWaalsContact O-N 3.13Å
478T68.9Low56Low75 Ų75130.4 Ų130.446%0.4664%0.644SS.*  trans-73.4156179.953.50000113.4R473 G474 D476 G480R473-T478 WeakPolarHBondContact CA-O 3.26Å; G474-T478 PolarHBondContact N-O 2.9Å; G474-T478 VanDerWaalsContact N-O 3.15Å; D476-T478 PolarHBondContact O-N 3.12Å; T478-G480 PolarHBondContact O-N 3.15Å; T478-G480 VanDerWaalsContact O-N 3.12Å
479R54.5Low54.8Low130 Ų130132.3 Ų132.349%0.49167%0.666SS.*BIsolated β-bridgetrans-82.582179.3-72.4174.671.9151.5-0.4111.3D462D462-R479 PolarHBondContact O-NH2 3.03Å; D462-R479 IonicContact OD1-CZ 3.85Å; D462-R479 IonicContact OD1-NH1 2.8Å; D462-R479 PolarHBondContact OD1-NH1 3.22Å; D462-R479 IonicContact OD1-NH2 2.7Å; D462-R479 PolarHBondContact OD1-NH2 2.69Å
480G60.2Low53.4Low14 Ų14130.1 Ų130.114%0.14466%0.664CS.*SBendtrans87.6153.7170.200000115.2T478 H482T478-G480 PolarHBondContact O-N 3.15Å; T478-G480 VanDerWaalsContact O-N 3.12Å; G480-H482 PolarHBondContact O-N 3.22Å; G480-H482 PolarHBondContact O-ND1 3.12Å
481F50.9Low52Low173 Ų173130.8 Ų130.876%0.75969%0.69SS**  trans-71.6108-175.3-58.3-81.1000111.7
482H53.2Low51Low167 Ų167133.7 Ų133.777%0.77371%0.705SS**  trans-94.2110.7174.5-72.263.7000109.5G480G480-H482 PolarHBondContact O-N 3.22Å; G480-H482 PolarHBondContact O-ND1 3.12Å
483G42.8Very low50.6Low73 Ų73136.2 Ų136.275%0.75371%0.713SS**  trans-75.6128.9172.200000110.7E485G483-E485 PolarHBondContact O-N 3Å
484H40.7Very low50Low189 Ų189134.3 Ų134.388%0.87572%0.717SS**  trans-73.8105.9177.7-119.8-70.3000110.5R486H484-R486 PolarHBondContact O-N 3.13Å
485E39.1Very low49.1Very low184 Ų184141.6 Ų141.686%0.8675%0.753SS**  trans-66.8129.3163.8-69.4-172.212100109.3G483G483-E485 PolarHBondContact O-N 3Å
486R42.3Very low48Very low241 Ų241143 Ų14391%0.90975%0.752SS**  trans-94107.3168.6-82.7-173172.8-177.4-1.8108.9H484 R488H484-R486 PolarHBondContact O-N 3.13Å; R486-R488 PolarHBondContact O-N 2.74Å
487S38.1Very low46.9Very low120 Ų120144.3 Ų144.384%0.83976%0.758SS**PPolyproline II helixtrans-54.1129.1171-49.40000110.9
488R39.8Very low46Very low246 Ų246146.8 Ų146.893%0.92877%0.77SS**PPolyproline II helixtrans-80.2123160.7-83.3-178.3159.4-177.2-7.6108.1R486R486-R488 PolarHBondContact O-N 2.74Å
489A40.1Very low44.3Very low98 Ų98152.3 Ų152.381%0.8179%0.794SS**PPolyproline II helixtrans-77.1149.6169.100000110.1
490C37.8Very low43.4Very low128 Ų128154.2 Ų154.287%0.86582%0.819SS**PPolyproline II helixtrans-103.1116167.4-60.80000109.1
491V36.2Very low41.9Very low217 Ų217166.9 Ų166.9100%1.31588%0.881SS**  trans-141.10149.9-177.10000105.6

Retrieved 491 of 491 residues in 1047.3 ms (Link to these results)