A0A096M3V1_POEFO Loading...

Zinc finger protein 410

AlphaFold DB (A0A3B3V3H7), UniProt , Accession A0A096M3V1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 450 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
1M34.8Very low36.4Very low236 Ų236159.9 Ų159.9100%1.16385%0.846SS**  0109.60-69.7-171.5157.400106.8
2L28.7Very low36.8Very low154 Ų154160.2 Ų160.281%0.80685%0.847SS**  cis-128.9126.47.9-79.6141.1000109.8
3S34.2Very low36.7Very low104 Ų104160.5 Ų160.573%0.72785%0.848SS**  trans-69.8159.5132.8-54.20000106.6
4D36.5Very low37Very low143 Ų143156 Ų15677%0.76583%0.829SS**  trans92.171.7-174.6-47.7-30.5000114.8
5E38Very low37.1Very low195 Ų195156.6 Ų156.691%0.91183%0.825SS**SBendtrans-174.284136.9-107-169.8107.400109.8
6L35.1Very low36.8Very low170 Ų170159.8 Ų159.889%0.8983%0.831SS**  trans-166.226.2150.7-107.2168.4000112.5S8L6-S8 PolarHBondContact O-N 2.73Å
7D39.5Very low36.8Very low163 Ų163158.1 Ų158.187%0.87283%0.828SS**  trans-93.472167.3-164.73.3000108.9
8S36.2Very low36.9Very low99 Ų99157 Ų15769%0.69282%0.818SS**  trans-168.387.3178.3-85.40000112.4L6L6-S8 PolarHBondContact O-N 2.73Å
9K36Very low37Very low196 Ų196157.6 Ų157.685%0.85282%0.823SS**  trans147.493.5147.5-82161.4-176.1175.30112.7E11K9-E11 VanDerWaalsContact C-N 3.29Å; K9-E11 PolarHBondContact O-N 3.15Å
10P38.4Very low36.8Very low126 Ų126154.5 Ų154.582%0.81882%0.821SS**  trans-87.534.4173.836.5-35.6000113.9
11E42.5Very low36.6Very low173 Ų173152.9 Ų152.981%0.80882%0.822SS**  trans-121.523.1-169.9-74.6-140.6129.400116.2K9K9-E11 VanDerWaalsContact C-N 3.29Å; K9-E11 PolarHBondContact O-N 3.15Å
12L41.2Very low36.4Very low163 Ų163149.5 Ų149.585%0.85381%0.807SS**SBendtrans-126.922.8172.1-75.8177.4000114.8
13L35.9Very low36.6Very low165 Ų165147.2 Ų147.286%0.86480%0.801SS**SBendtrans-125.718.1174.4-116162.5000114.1
14V40.7Very low36.3Very low97 Ų97149.7 Ų149.759%0.58881%0.806SS**SBendtrans-107.6-20.3175.3177.20000112.4F16V14-F16 PolarHBondContact O-N 3.04Å
15Q39.5Very low35.9Very low165 Ų165149 Ų14977%0.77181%0.807SS**THydrogen-bonded Turntrans-89.312.5-169-123176.319.700116.5
16F31.8Very low35.5Very low208 Ų208147.5 Ų147.591%0.91280%0.799SS**THydrogen-bonded Turntrans-117.62.8175.3-126.7-89.4000115.1V14V14-F16 PolarHBondContact O-N 3.04Å
17V36.6Very low35.2Very low130 Ų130144.8 Ų144.879%0.78879%0.794SS**SBendtrans-104.2-2.7177.1-1770000112.2
18Q38.9Very low34.5Very low139 Ų139145.5 Ų145.565%0.6580%0.797SS**SBendtrans-98.11.6-173.1-81.4178-28.900116.6
19N38.8Very low34.4Very low169 Ų169149.1 Ų149.190%0.90480%0.803SS**SBendtrans-124.863.1178.5-86.6-19.6000113.3
20A31.8Very low34Very low95 Ų95146.9 Ų146.979%0.78580%0.801SS**  trans-153.640.616600000113.3
21S33.3Very low33.4Very low120 Ų120146.3 Ų146.384%0.83980%0.8SS**  trans-88.9103.2176-63.60000111.6
22I30.1Very low32.7Very low165 Ų165146.9 Ų146.985%0.84680%0.802SS**  trans-134.7137.7165.5-66.3-173000108.1
23P34Very low32Very low107 Ų107144.1 Ų144.170%0.69580%0.796SS**  trans-96162.1-143.436.3-37.4000116.1
24L28.3Very low31.7Very low156 Ų156144.7 Ų144.782%0.81779%0.792SS**  trans-68127.7159.5-145.2103.5000109Q26L24-Q26 HydrophobicContact CD2-CG 4.37Å
25V27.3Very low31.1Very low129 Ų129149.9 Ų149.978%0.78281%0.809SS**  trans-110.2110.9167.4178.80000108.9
26Q29.5Very low30.4Very low163 Ų163147.3 Ų147.376%0.76281%0.81SS**  trans-107.5165.6154.6-78-175.6-55.700108.7L24L24-Q26 HydrophobicContact CD2-CG 4.37Å
27S29Very low30.1Very low112 Ų112143 Ų14378%0.78380%0.804SS**  trans73.4106.9176.3-56.50000116.9
28L25.8Very low29.5Very low179 Ų179145 Ų14594%0.93781%0.809SS**  -145.4101.8122.6-101.4169.5000107.3
29E33.4Very low29.4Very low175 Ų175143 Ų14382%0.81881%0.808SS**  trans-102.7150.6158.2-76-178.7126.800108.2
30D26.7Very low28.8Very low149 Ų149142.4 Ų142.480%0.79781%0.805SS**  trans60105164.1-57.6-28.4000121
31S26.6Very low28.6Very low114 Ų114145.6 Ų145.680%0.79781%0.808SS**  -160.5105.3116.516.10000112.1
32E27.1Very low28.5Very low185 Ų185144 Ų14486%0.86480%0.801SS**  trans23.8115.4137.5-54.7-179.5103.100119.1
33S26.3Very low29Very low104 Ų104141.6 Ų141.673%0.72780%0.797SS**  168.7152.896.155.50000114.2
34K29.5Very low28.7Very low178 Ų178140.6 Ų140.677%0.77480%0.798SS**  trans68.380.8164.7-60.1168.8-173.7171.60118.3
35H28.7Very low28.5Very low205 Ų205140.3 Ų140.395%0.94980%0.797SS**  -136.991.8128.6-84.4-64.6000110.5
36S25.7Very low28.6Very low111 Ų111138.9 Ų138.978%0.77679%0.793SS**  trans-91134167.154.70000110.4
37C24.1Very low28.5Very low119 Ų119135.9 Ų135.980%0.80479%0.789SS**  trans-3.2139.9161.2-520000119.5
38L25.4Very low28.4Very low170 Ų170137.8 Ų137.889%0.8979%0.79SS**  -162.8147.3111.7-99.6174.6000111.2
39P36.6Very low28.4Very low97 Ų97134.4 Ų134.463%0.6378%0.78SS**  trans-110.2178.7174.241.9-33.4000113.1
40L26Very low28.4Very low158 Ų158131.5 Ų131.583%0.82778%0.779SS**  trans67.7136.2168.9-56.7159.9000114.2
41L27.4Very low28.8Very low162 Ų162130.5 Ų130.585%0.84878%0.781SS**  -157.5152.456.9-108.993.1000111.3
42A30.1Very low28.9Very low85 Ų85132.5 Ų132.570%0.70278%0.782SS**  trans-84.5168.915100000108.8
43P41.9Very low29Very low115 Ų115130.4 Ų130.475%0.74777%0.772SS**  -153175.27640.8-22000116.1
44A27.1Very low29Very low87 Ų87131.7 Ų131.772%0.71977%0.77SS**  trans57.2150.1141.700000120.3
45D25.1Very low28.9Very low150 Ų150128.9 Ų128.980%0.80277%0.768SS**  cis166.3162.8-26.2-118.2-47.6000104.7
46S29.6Very low28.8Very low99 Ų99126.5 Ų126.569%0.69276%0.762SS**  trans67.311216379.10000116.6
47S26.6Very low28.9Very low99 Ų99124.8 Ų124.869%0.69276%0.762SS**  101143.185.2720000110.8
48L27.2Very low29.1Very low153 Ų153122.4 Ų122.480%0.80176%0.757SS**  cis-160.3166.34.9-113.4155.4000109.5
49C26.3Very low29.3Very low107 Ų107122.4 Ų122.472%0.72376%0.758SS**  trans47114.8152-74.40000122
50S31.7Very low28.8Very low114 Ų114122.7 Ų122.780%0.79776%0.762SS**  trans-66.5152.6130.2-43.40000110.6
51P35.8Very low29Very low128 Ų128124 Ų12483%0.83176%0.763SS**  trans-113166.3144.834.2-25.6000111.6
52L28.7Very low29.2Very low156 Ų156124 Ų12482%0.81776%0.759SS**  trans-119.5165.7-172.7-114.7174.5000109.6
53E28.8Very low30Very low141 Ų141124.3 Ų124.366%0.65975%0.754SS**  trans83.9122.1156.6-68.5-65.184.300123
54L27.1Very low29.3Very low132 Ų132125.3 Ų125.369%0.69175%0.753SS**  95.1128.7128.6-72.3167.2000124.8
55T27.7Very low29.4Very low118 Ų118125.4 Ų125.472%0.72475%0.749SS**  trans70148.2150.357.80000118.9
56D26.4Very low29.6Very low155 Ų155122.9 Ų122.983%0.82974%0.742SS**  cis-159.3158.8-1.4-134-42.3000112.1
57G28.2Very low29.6Very low76 Ų76123.1 Ų123.178%0.78474%0.744SS**  trans61.4154.1165.200000119.1
58G27.2Very low29.8Very low68 Ų68124 Ų12470%0.70175%0.75SS**  cis150148.3100000110.8
59L29.6Very low30.1Very low171 Ų171124.5 Ų124.590%0.89575%0.753SS**  trans79.7114.1-179-49.1172.6000115
60S27Very low31.1Very low103 Ų103125.6 Ų125.672%0.7276%0.759SS**  88.692.950.4-65.60000114.3
61H30.5Very low31.1Very low185 Ų185128 Ų12886%0.85676%0.757SS**  -173.7105.8129-113.3-73.7000113.5
62E30.7Very low31.1Very low161 Ų161130.9 Ų130.975%0.75276%0.757SS**  trans-76.6170.3141.4-81.9-70122.900107.7
63P47.8Very low31.1Very low93 Ų93127.2 Ų127.260%0.60476%0.757SS**  cis-155.9-178.335.944.8-22.8000119.2
64D25.7Very low31Very low135 Ų135124.4 Ų124.472%0.72277%0.766SS**  trans64.8150.8138.1-77.5-33.6000121.2
65S30.2Very low31.3Very low90 Ų90124.4 Ų124.463%0.62977%0.772SS**  cis-168.3156-22.5-117.60000111.8
66S29.5Very low32.3Very low96 Ų96124.6 Ų124.667%0.67177%0.774SS**  trans66.1107.7136.774.10000124.4
67S29.3Very low32.7Very low104 Ų104125.3 Ų125.373%0.72777%0.773SS**  65.6139.5114.376.60000125.1
68S31.6Very low32.8Very low117 Ų117130.5 Ų130.582%0.81878%0.777SS**  trans114.8140.9135.6-58.30000120.4
69L32.8Very low33Very low165 Ų165132.3 Ų132.386%0.86478%0.779SS**  trans-82.6173.7-179.6-66160.2000113
70P46.5Very low34.3Very low130 Ų130129.2 Ų129.284%0.84477%0.769SS**  -147.5-166.295.537.5-18000116.3
71E33.3Very low34.4Very low163 Ų163131.7 Ų131.776%0.76277%0.773SS**  trans-99.5-179.2-157.9-61.8177.892.500118.8
72F35.6Very low34.3Very low189 Ų189128.7 Ų128.783%0.82977%0.768SS**  trans105.9115.9143.7-83.4-72.8000122.6
73G28.1Very low34.2Very low79 Ų79126.3 Ų126.381%0.81476%0.764SS**  115.8124.9119.900000120.7
74G26.5Very low33.4Very low83 Ų83129.8 Ų129.886%0.85677%0.772SS**  trans140.8116.9150.400000119.1
75V33Very low33.6Very low132 Ų132127.3 Ų127.380%0.877%0.766SS**  trans-137.5151.9166.6-166.20000108.5
76P48.5Very low33.7Very low121 Ų121132 Ų13279%0.78678%0.777SS**  -145.9137.6106.429.9-10.3000114.1
77Q35.2Very low33.6Very low171 Ų171132 Ų13280%0.79978%0.783SS**  58.3120.987.8-88.7-143.541.500118.8
78Q29.8Very low33.7Very low184 Ų184135.9 Ų135.986%0.8679%0.79SS**  -176.1161.4113.7-96.817825.700113.7
79S32.7Very low34.7Very low107 Ų107135.5 Ų135.575%0.74878%0.784SS**  trans-136.4-156.6-179.7-49.40000108.3
80P55.5Low34.9Very low106 Ų106133.8 Ų133.869%0.68878%0.783SS**  cis-144.7-158.9-6.129.2-1.3000116.1
81L29.6Very low34.2Very low155 Ų155131.8 Ų131.881%0.81278%0.778SS**  trans94.1145156.3-49.1-177.2000118
82V29.6Very low34.5Very low121 Ų121129.4 Ų129.473%0.73378%0.776SS**  cis-166160.58.198.70000115.7
83V27.1Very low34.1Very low112 Ų112129.5 Ų129.568%0.67978%0.779SS**  trans67.4133159160.30000120.1
84Q32.2Very low34.1Very low166 Ų166130.9 Ų130.978%0.77678%0.776SS**  cis90142.838.9-77.3172.1-69.800115.6
85S29.5Very low35.1Very low83 Ų83132.3 Ų132.358%0.5877%0.771SS**  cis-178.5171.8-1446.60000112.8
86H32.4Very low35.4Very low188 Ų188131.4 Ų131.487%0.8777%0.767SS**  trans76.9155167.9-63.2-68.4000119.4
87A27.6Very low34.3Very low96 Ų96129.6 Ų129.679%0.79376%0.763SS**  cis-164.3180-1100000112.7
88Q31.3Very low33.8Very low186 Ų186129.1 Ų129.187%0.86976%0.762SS**  trans-120.4-179.8175.5-91.6-174.6-71.300111.3
89P52.6Low33.6Very low109 Ų109127.1 Ų127.171%0.70876%0.757SS**  cis-123.9-164.6-41.838.4-20000111.3
90P37.4Very low33.4Very low128 Ų128129.5 Ų129.583%0.83176%0.756SS**  -156.3-178.195.240.5-20.1000116.9
91A31.4Very low32Very low89 Ų89130.1 Ų130.174%0.73675%0.753SS**  trans-115.9168.1169.900000111.1
92P39Very low32.1Very low112 Ų112131.4 Ų131.473%0.72776%0.76SS**  -162.9175.196.142-20.6000119.8
93Q26.8Very low32.3Very low191 Ų191133.6 Ų133.689%0.89376%0.762SS**  trans87148.4156.1-46-160.410.200122.5
94S28.4Very low32.5Very low108 Ų108135.8 Ų135.876%0.75577%0.765SS**  trans-154.8-177.9-172.466.30000108.2
95P48.5Very low32.3Very low114 Ų114133.3 Ų133.374%0.7476%0.763SS**  cis-124.7-139.39.133.7-7.6000109.6
96P39.3Very low32.2Very low113 Ų113135.5 Ų135.573%0.73477%0.769SS**  cis-140.8173.4-8.343.3-24000119.2
97A24.6Very low32.4Very low83 Ų83131.5 Ų131.569%0.68676%0.762SS**  trans59.8105.3145.500000122.6
98M24.9Very low32.8Very low160 Ų160131.6 Ų131.679%0.78875%0.753SS**  176.1132.397.9-81.3-102.687.700111.4
99L25.6Very low33Very low143 Ų143126.4 Ų126.475%0.74974%0.737SS**  trans24149.3146.6-62161.3000121.6
100H28.2Very low31.9Very low157 Ų157129.9 Ų129.973%0.72774%0.737SS**  cis-169.8167-22.5-160.7-87.7000107.1
101D26.4Very low31.8Very low118 Ų118128.2 Ų128.263%0.63173%0.725SS**  trans-20.9140.3-179.3-76.8-64.4000121.8
102L30.6Very low31.9Very low183 Ų183129.7 Ų129.796%0.95872%0.719SS**  trans-137.578.2145.3-94174.9000110.2
103Q33.8Very low31.7Very low166 Ų166129.1 Ų129.178%0.77671%0.71SS**  trans-105.6141.4170.5-164.572.3-7.700110.5
104Q31.9Very low32.1Very low159 Ų159124.6 Ų124.674%0.74369%0.692SS**  trans-36.1145.8-177.9-59.6-75.9-28.700116.6
105P28.1Very low32.5Very low113 Ų113123.6 Ų123.673%0.73468%0.677SS**  trans-74.9131.2-178.830.5-34.9000113.8
106D27Very low31.8Very low130 Ų130121 Ų12170%0.69567%0.665SS**  trans-73.6162-176.7-74.6-47.7000115.9T108 S109D106-T108 PolarHBondContact O-N 3.5Å; D106-S109 PolarHBondContact O-N 2.62Å
107S36.2Very low31.6Very low103 Ų103122.4 Ų122.472%0.7266%0.66SS**THydrogen-bonded Turntrans-54-15.6-177.3-1650000115.9S109 Y110S107-S109 PolarHBondContact O-N 3.43Å; S107-Y110 PolarHBondContact O-N 3.15Å
108T36.6Very low32.1Very low99 Ų99120.6 Ų120.661%0.60765%0.649SS**Hα-helixtrans-64.3-33.9178.243.30000113.5D106 Y110 V111 L112D106-T108 PolarHBondContact O-N 3.5Å; T108-Y110 VanDerWaalsContact C-N 3.3Å; T108-Y110 PolarHBondContact O-N 3.34Å; T108-V111 PolarHBondContact O-N 2.74Å; T108-L112 PolarHBondContact O-N 2.9Å
109S34.7Very low32.6Very low77 Ų77117.7 Ų117.754%0.53864%0.636SS.*Hα-helixtrans-64.6-31.8179.8-70.10000113.3D106 S107 V111 L113D106-S109 PolarHBondContact O-N 2.62Å; S107-S109 PolarHBondContact O-N 3.43Å; S109-V111 VanDerWaalsContact C-N 3.33Å; S109-V111 PolarHBondContact O-N 3.18Å; S109-L113 PolarHBondContact O-N 2.39Å
110Y29.9Very low33.1Very low181 Ų181116.8 Ų116.871%0.7164%0.636SS**Hα-helixtrans-73.9-24.8179.5-125.4-89000112.9S107 T108 N114S107-Y110 PolarHBondContact O-N 3.15Å; T108-Y110 VanDerWaalsContact C-N 3.3Å; T108-Y110 PolarHBondContact O-N 3.34Å; Y110-N114 PolarHBondContact O-ND2 3.47Å
111V35.1Very low33.4Very low94 Ų94113.4 Ų113.457%0.5764%0.636SS**Hα-helixtrans-77.4-44.3177.8-1790000110.7T108 S109 L113 N114 L115T108-V111 PolarHBondContact O-N 2.74Å; S109-V111 VanDerWaalsContact C-N 3.33Å; S109-V111 PolarHBondContact O-N 3.18Å; V111-L113 PolarHBondContact O-N 3.19Å; V111-N114 PolarHBondContact O-N 3.36Å; V111-L115 PolarHBondContact O-N 3.18Å
112L33.8Very low33.8Very low119 Ų119113 Ų11362%0.62364%0.642SS**Hα-helixtrans-63.6-42-179.1-69.6170.3000112.6T108 N114 L115 A116T108-L112 PolarHBondContact O-N 2.9Å; L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 PolarHBondContact O-N 3.12Å; L112-L115 WeakPolarHBondContact O-CB 3.4Å; L112-L115 PolarHBondContact O-N 3.41Å; L112-L115 VanDerWaalsContact O-N 3.17Å; L112-A116 PolarHBondContact O-N 3.11Å; L112-A116 VanDerWaalsContact O-N 3.08Å
113L35.4Very low34.2Very low101 Ų101109.1 Ų109.153%0.52963%0.631SS.*Hα-helixtrans-65.7-30.1179.6-163.571.3000113S109 V111 K117S109-L113 PolarHBondContact O-N 2.39Å; V111-L113 PolarHBondContact O-N 3.19Å; L113-K117 WeakPolarHBondContact O-CG 3.23Å; L113-K117 PolarHBondContact O-N 2.82Å
114N34.9Very low34.2Very low96 Ų96110.1 Ų110.151%0.51364%0.635SS.*Hα-helixtrans-82.1-26.5175.2-75.7-60000112.7Y110 V111 L112 G118Y110-N114 PolarHBondContact O-ND2 3.47Å; V111-N114 PolarHBondContact O-N 3.36Å; L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 PolarHBondContact O-N 3.12Å; N114-G118 PolarHBondContact O-N 3.03Å
115L37Very low34.5Very low86 Ų86108.2 Ų108.245%0.4564%0.639SS.*Hα-helixtrans-67.5-46172.5-152.275.3000111V111 L112 K117 G118 I119V111-L115 PolarHBondContact O-N 3.18Å; L112-L115 WeakPolarHBondContact O-CB 3.4Å; L112-L115 PolarHBondContact O-N 3.41Å; L112-L115 VanDerWaalsContact O-N 3.17Å; L115-K117 PolarHBondContact O-N 3.49Å; L115-G118 PolarHBondContact O-N 3.03Å; L115-G118 VanDerWaalsContact O-N 3.1Å; L115-I119 WeakPolarHBondContact O-CG1 3.19Å; L115-I119 PolarHBondContact O-N 3.19Å
116A34Very low34.7Very low59 Ų59110.6 Ų110.649%0.48865%0.645SS.*Hα-helixtrans-59.9-41.5177.300000112.9L112 G118 I119L112-A116 PolarHBondContact O-N 3.11Å; L112-A116 VanDerWaalsContact O-N 3.08Å; A116-G118 VanDerWaalsContact C-N 3.25Å; A116-G118 PolarHBondContact O-N 2.98Å; A116-I119 PolarHBondContact O-N 2.9Å
117K35.3Very low34.9Very low143 Ų143112.1 Ų112.162%0.62265%0.651SS**Hα-helixtrans-71.2-14.7176.8-70.9175.1-179.61760114.2L113 L115L113-K117 WeakPolarHBondContact O-CG 3.23Å; L113-K117 PolarHBondContact O-N 2.82Å; L115-K117 PolarHBondContact O-N 3.49Å
118G34.4Very low34.4Very low45 Ų45117 Ų11746%0.46466%0.66SS.*Hα-helixtrans-87-23.9177.200000114.4N114 L115 A116N114-G118 PolarHBondContact O-N 3.03Å; L115-G118 PolarHBondContact O-N 3.03Å; L115-G118 VanDerWaalsContact O-N 3.1Å; A116-G118 VanDerWaalsContact C-N 3.25Å; A116-G118 PolarHBondContact O-N 2.98Å
119I36.5Very low33.9Very low100 Ų100116.9 Ų116.951%0.51367%0.669SS.*Hα-helixtrans-77-28.7-172.6-68.2164.6000112L115 A116 A121L115-I119 WeakPolarHBondContact O-CG1 3.19Å; L115-I119 PolarHBondContact O-N 3.19Å; A116-I119 PolarHBondContact O-N 2.9Å; I119-A121 PolarHBondContact O-N 3.17Å; I119-A121 VanDerWaalsContact O-N 3.17Å
120T36Very low33.5Very low123 Ų123118 Ų11876%0.75568%0.683SS**THydrogen-bonded Turntrans-740.4179.954.20000115
121A33Very low33.4Very low87 Ų87117.7 Ų117.772%0.71969%0.694SS**THydrogen-bonded Turntrans-118.812.2-172.800000114.9I119I119-A121 PolarHBondContact O-N 3.17Å; I119-A121 VanDerWaalsContact O-N 3.17Å
122S36.6Very low33Very low108 Ų108116.9 Ų116.976%0.75571%0.705SS**  trans-149.744-175.5-171.70000114.7
123S37.6Very low32.8Very low103 Ų103115.7 Ų115.772%0.7271%0.712SS**  trans-107.444.9175.964.10000113.7
124E35.2Very low32.5Very low187 Ų187117.8 Ų117.887%0.87473%0.728SS**  trans-128.267170.8-72.9-167.4147.400110.9
125S38Very low32.2Very low118 Ų118119.9 Ų119.983%0.82574%0.74SS**SBendtrans-169.728168.8-85.30000115.8
126L31.6Very low31.8Very low164 Ų164123.9 Ų123.986%0.85976%0.761SS**  trans-144.177.3169.9-80.9-179.2000112.4
127I31.9Very low31.9Very low161 Ų161129.7 Ų129.783%0.82678%0.779SS**  trans-136.2151.5160.8-58.2-178.8000106.5
128F25.4Very low31.6Very low206 Ų206129.7 Ų129.790%0.90479%0.785SS**  trans80.5119.3-158.2-70.2-89000113.8
129A25.9Very low31.5Very low96 Ų96135.3 Ų135.379%0.79380%0.8SS**  cis-146.9147.83.300000111.9
130A26.6Very low31.1Very low101 Ų101133.6 Ų133.684%0.83581%0.807SS**  trans-143.695.3164.600000107.3
131D27.7Very low30.6Very low175 Ų175135.1 Ų135.194%0.93682%0.815SS**  trans-159135.4163.2-114.7-30.7000107.1
132G27.2Very low30.4Very low77 Ų77135.5 Ų135.579%0.79481%0.813SS**  trans133.765.1-169.900000112.6
133A28Very low30Very low94 Ų94135.8 Ų135.878%0.77782%0.815SS**  trans-77136.7164.900000110
134V29Very low29.4Very low144 Ų144134.6 Ų134.687%0.87382%0.818SS**  trans-146127.5145.1-151.50000107.1
135D28.7Very low29Very low141 Ų141132.9 Ų132.975%0.75482%0.815SS**  trans-71150.1169.3-48.2-93.4000110.5
136D28.3Very low28.6Very low169 Ų169138.6 Ų138.690%0.90482%0.821SS**  -171.8146.3129.7-104.9-42.3000109.6
137E36.7Very low28.5Very low182 Ų182133.6 Ų133.685%0.8581%0.809SS**  trans-96.6167.7-168.9-57.9-140.111000114
138D29.1Very low28.3Very low142 Ų142133.8 Ų133.876%0.75981%0.808SS**  trans107.8138.9137.5-113.3-18.1000122.8
139E33.1Very low28.6Very low164 Ų164130.8 Ų130.877%0.76680%0.801SS**  trans52.897.7163-63.5-62176.400122.6
140G26.6Very low28.9Very low64 Ų64130.1 Ų130.166%0.6680%0.804SS**  65115.610400000121.5
141V27.2Very low29.5Very low154 Ų154130.5 Ų130.593%0.93380%0.8SS**  trans-166.5157.2131.4135.30000110.7
142S27.6Very low30.2Very low96 Ų96125.2 Ų125.267%0.67178%0.781SS**  trans-96.2160.1-154.662.80000117.6
143S28.4Very low31.2Very low114 Ų114125.3 Ų125.380%0.79777%0.768SS**  trans56.2116.5138.262.40000120.1
144G26.2Very low32Very low77 Ų77130.2 Ų130.279%0.79477%0.766SS**  trans-16367.9168.500000112Y146G144-Y146 PolarHBondContact O-N 3.48Å
145D25.7Very low32.2Very low152 Ų152128.8 Ų128.881%0.81375%0.746SS**  trans-67.5120.6180-113.6-51.4000112.4
146Y30.5Very low32.9Very low238 Ų238126.5 Ų126.593%0.93373%0.733SS**  trans-146.985.7155.4-86.8-73.6000108.7G144G144-Y146 PolarHBondContact O-N 3.48Å
147G28.1Very low33.5Very low59 Ų59126.6 Ų126.661%0.60872%0.721SS**  trans-80.1141.3173.500000112.6
148M29.1Very low33.9Very low165 Ų165121.9 Ų121.981%0.81370%0.704SS**  trans-149.1131.3139.8-85.2-50.5168.700110.7G150M148-G150 PolarHBondContact O-N 2.9Å; M148-G150 VanDerWaalsContact O-N 3.14Å
149D31.1Very low34.7Very low142 Ų142120.1 Ų120.176%0.75969%0.691SS**  trans35.848.3148.763.715000123.5S151D149-S151 VanDerWaalsContact C-N 3.3Å; D149-S151 PolarHBondContact O-N 2.91Å
150G32.9Very low35.2Very low82 Ų82118.1 Ų118.185%0.84568%0.682SS**  trans-70.463.5166.300000116.4M148 A152M148-G150 PolarHBondContact O-N 2.9Å; M148-G150 VanDerWaalsContact O-N 3.14Å; G150-A152 PolarHBondContact O-N 2.78Å
151S38.4Very low36.2Very low110 Ų110120.4 Ų120.477%0.76968%0.678SS**  trans-75.185.4172.452.60000112.3D149D149-S151 VanDerWaalsContact C-N 3.3Å; D149-S151 PolarHBondContact O-N 2.91Å
152A42.2Very low37.2Very low63 Ų63115.7 Ų115.752%0.52166%0.656SS.*  trans-55.8127.2172.900000110.4G150 W154G150-A152 PolarHBondContact O-N 2.78Å; A152-W154 PolarHBondContact O-N 2.98Å
153P48.3Very low38.6Very low80 Ų80115.9 Ų115.952%0.51965%0.646SS.*  trans-50.8128.3178.7-3034.3000111.5Y155 L156P153-Y155 PolarHBondContact O-N 2.9Å; P153-L156 WeakPolarHBondContact O-CB 3.48Å; P153-L156 PolarHBondContact O-N 3.29Å
154W44.2Very low39.8Very low196 Ų196114.8 Ų114.874%0.74263%0.631SS**Hα-helixtrans-49.9-32.8-174.364.9-91.3000113.4A152 L156 R157 V158A152-W154 PolarHBondContact O-N 2.98Å; W154-L156 PolarHBondContact O-N 3.48Å; W154-R157 PolarHBondContact O-N 3Å; W154-V158 HydrophobicContact CE3-CG2 4.13Å; W154-V158 WeakPolarHBondContact O-CG2 3.34Å; W154-V158 PolarHBondContact O-N 3.5Å
155Y33.4Very low41.1Very low115 Ų115114.9 Ų114.945%0.45162%0.62SS.*Hα-helixtrans-56.9-42174.3-176-97.6000113.6P153 V158 Q159P153-Y155 PolarHBondContact O-N 2.9Å; Y155-V158 PolarHBondContact O-N 2.96Å; Y155-Q159 VanDerWaalsContact O-CB 3.3Å; Y155-Q159 WeakPolarHBondContact O-CB 3.43Å; Y155-Q159 PolarHBondContact O-N 3.37Å
156L43.2Very low42.5Very low93 Ų93111.9 Ų111.949%0.48760%0.603SS.*Hα-helixtrans-66.8-40.5178.1-68.7176.4000111.3P153 W154 Q159 E160P153-L156 WeakPolarHBondContact O-CB 3.48Å; P153-L156 PolarHBondContact O-N 3.29Å; W154-L156 PolarHBondContact O-N 3.48Å; L156-Q159 WeakPolarHBondContact O-CB 3.32Å; L156-Q159 PolarHBondContact O-N 3.38Å; L156-Q159 VanDerWaalsContact O-N 3.15Å; L156-E160 WeakPolarHBondContact O-CB 3.3Å; L156-E160 PolarHBondContact O-N 3.01Å
157R41.4Very low43.9Very low171 Ų171103.1 Ų103.165%0.64557%0.572SS**Hα-helixtrans-70.4-33.9179.6-155166-169.3149.82.8112.3W154 L161W154-R157 PolarHBondContact O-N 3Å; R157-L161 WeakPolarHBondContact O-CB 3.45Å; R157-L161 WeakPolarHBondContact O-CD1 3.22Å; R157-L161 VanDerWaalsContact O-CG 3.28Å; R157-L161 WeakPolarHBondContact O-CG 3.37Å; R157-L161 PolarHBondContact O-N 2.81Å
158V45.9Very low45.6Very low82 Ų82103.1 Ų103.150%0.49757%0.566SS.*Hα-helixtrans-65.8-38.7168.81700000111.2W154 Y155 A162W154-V158 HydrophobicContact CE3-CG2 4.13Å; W154-V158 WeakPolarHBondContact O-CG2 3.34Å; W154-V158 PolarHBondContact O-N 3.5Å; Y155-V158 PolarHBondContact O-N 2.96Å; V158-A162 VanDerWaalsContact O-CB 3.26Å; V158-A162 WeakPolarHBondContact O-CB 3.38Å; V158-A162 PolarHBondContact O-N 3.06Å
159Q45.5Very low47Very low105 Ų10597.8 Ų97.849%0.49155%0.548SS..Hα-helixtrans-69.6-36.6179-162.6165.429.600112.4Y155 L156 H163Y155-Q159 VanDerWaalsContact O-CB 3.3Å; Y155-Q159 WeakPolarHBondContact O-CB 3.43Å; Y155-Q159 PolarHBondContact O-N 3.37Å; L156-Q159 WeakPolarHBondContact O-CB 3.32Å; L156-Q159 PolarHBondContact O-N 3.38Å; L156-Q159 VanDerWaalsContact O-N 3.15Å; Q159-H163 VanDerWaalsContact O-CB 3.29Å; Q159-H163 WeakPolarHBondContact O-CB 3.42Å; Q159-H163 PolarHBondContact O-N 3.41Å
160E43.8Very low48.2Very low123 Ų12394.5 Ų94.558%0.57553%0.533SS*.Hα-helixtrans-68.9-50.1175.4-164.7163.2-134.700111.4L156 A162 H163 D164L156-E160 WeakPolarHBondContact O-CB 3.3Å; L156-E160 PolarHBondContact O-N 3.01Å; E160-A162 VanDerWaalsContact C-N 3.32Å; E160-A162 PolarHBondContact O-N 2.93Å; E160-H163 WeakPolarHBondContact O-CB 3.49Å; E160-H163 PolarHBondContact O-N 3.09Å; E160-D164 PolarHBondContact O-N 3.38Å
161L47.7Very low49.9Very low111 Ų11199.1 Ų99.158%0.58153%0.525SS*.Hα-helixtrans-60.3-37175-73.3167.7000113.4R157 S165R157-L161 WeakPolarHBondContact O-CB 3.45Å; R157-L161 WeakPolarHBondContact O-CD1 3.22Å; R157-L161 VanDerWaalsContact O-CG 3.28Å; R157-L161 WeakPolarHBondContact O-CG 3.37Å; R157-L161 PolarHBondContact O-N 2.81Å; L161-S165 VanDerWaalsContact O-CB 3.31Å; L161-S165 WeakPolarHBondContact O-CB 3.27Å; L161-S165 PolarHBondContact O-N 2.8Å; L161-S165 PolarHBondContact O-OG 3.04Å
162A47.9Very low51.4Low56 Ų5696.2 Ų96.246%0.46351%0.508SS..Hα-helixtrans-69.8-35.5174.200000112.5V158 E160 L166V158-A162 VanDerWaalsContact O-CB 3.26Å; V158-A162 WeakPolarHBondContact O-CB 3.38Å; V158-A162 PolarHBondContact O-N 3.06Å; E160-A162 VanDerWaalsContact C-N 3.32Å; E160-A162 PolarHBondContact O-N 2.93Å; A162-L166 WeakPolarHBondContact O-CB 3.27Å; A162-L166 PolarHBondContact O-N 3.01Å; A162-L166 VanDerWaalsContact O-N 3.09Å
163H57.7Low52.2Low100 Ų10096.8 Ų96.846%0.46350%0.5SS..Hα-helixtrans-68-44.5176.3-179.5-98.9000111.5Q159 E160 L166 I167Q159-H163 VanDerWaalsContact O-CB 3.29Å; Q159-H163 WeakPolarHBondContact O-CB 3.42Å; Q159-H163 PolarHBondContact O-N 3.41Å; E160-H163 WeakPolarHBondContact O-CB 3.49Å; E160-H163 PolarHBondContact O-N 3.09Å; H163-L166 WeakPolarHBondContact O-CB 3.24Å; H163-L166 PolarHBondContact O-N 3.35Å; H163-I167 WeakPolarHBondContact CE1-CD1 3.28Å; H163-I167 WeakPolarHBondContact O-CG1 3.42Å; H163-I167 PolarHBondContact O-N 3.41Å
164D52.3Low53.2Low90 Ų9098.3 Ų98.348%0.48150%0.503SS..Hα-helixtrans-69.9-37179.6-68-13.9000112.1E160 L166 I167 A168E160-D164 PolarHBondContact O-N 3.38Å; D164-L166 VanDerWaalsContact C-N 3.31Å; D164-L166 PolarHBondContact O-N 2.95Å; D164-I167 PolarHBondContact O-N 2.9Å; D164-A168 WeakPolarHBondContact O-CB 3.32Å; D164-A168 PolarHBondContact O-N 3.22Å
165S54.7Low54.5Low80 Ų8092 Ų9256%0.55949%0.492SS*.Hα-helixtrans-62-39.1171.6-60.70000112L161 A169L161-S165 VanDerWaalsContact O-CB 3.31Å; L161-S165 WeakPolarHBondContact O-CB 3.27Å; L161-S165 PolarHBondContact O-N 2.8Å; L161-S165 PolarHBondContact O-OG 3.04Å; S165-A169 WeakPolarHBondContact O-CB 3.45Å; S165-A169 PolarHBondContact O-N 3.14Å
166L54.7Low56.3Low89 Ų8993 Ų9347%0.46650%0.496SS..Hα-helixtrans-68.4-43.1176.1-176.562.6000111.5A162 H163 D164 A168 A169 T170A162-L166 WeakPolarHBondContact O-CB 3.27Å; A162-L166 PolarHBondContact O-N 3.01Å; A162-L166 VanDerWaalsContact O-N 3.09Å; H163-L166 WeakPolarHBondContact O-CB 3.24Å; H163-L166 PolarHBondContact O-N 3.35Å; D164-L166 VanDerWaalsContact C-N 3.31Å; D164-L166 PolarHBondContact O-N 2.95Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-A168 PolarHBondContact O-N 2.8Å; L166-A169 PolarHBondContact O-N 3.31Å; L166-T170 PolarHBondContact O-N 3.19Å; L166-T170 PolarHBondContact O-OG1 2.94Å
167I60.1Low57.4Low54 Ų5492.5 Ų92.528%0.27749%0.493SS..Hα-helixtrans-60.4-44174.5-72.8172.1000111H163 D164 T170 R171H163-I167 WeakPolarHBondContact CE1-CD1 3.28Å; H163-I167 WeakPolarHBondContact O-CG1 3.42Å; H163-I167 PolarHBondContact O-N 3.41Å; D164-I167 PolarHBondContact O-N 2.9Å; I167-T170 PolarHBondContact O-N 3.26Å; I167-R171 VanDerWaalsContact CG2-CZ 3.49Å; I167-R171 WeakPolarHBondContact O-CB 3.34Å; I167-R171 WeakPolarHBondContact O-CG 3.34Å; I167-R171 PolarHBondContact O-N 3.26Å
168A62.7Low58.8Low58 Ų5887.2 Ų87.248%0.47949%0.486SS..Hα-helixtrans-61.6-45.4176.500000111.6D164 L166 R171 A172D164-A168 WeakPolarHBondContact O-CB 3.32Å; D164-A168 PolarHBondContact O-N 3.22Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-A168 PolarHBondContact O-N 2.8Å; A168-R171 PolarHBondContact O-N 3.29Å; A168-A172 WeakPolarHBondContact O-CB 3.33Å; A168-A172 PolarHBondContact O-N 3.13Å
169A58.6Low60.2Low54 Ų5489.2 Ų89.245%0.44649%0.488SS..Hα-helixtrans-62.8-41.4176.100000112.7S165 L166 A172 Q173S165-A169 WeakPolarHBondContact O-CB 3.45Å; S165-A169 PolarHBondContact O-N 3.14Å; L166-A169 PolarHBondContact O-N 3.31Å; A169-A172 PolarHBondContact O-N 2.95Å; A169-Q173 PolarHBondContact O-N 3.46Å
170T57.7Low61.1Low72 Ų7286.9 Ų86.944%0.44249%0.487SS..Hα-helixtrans-65.5-43.2176.4-56.50000111.7L166 I167 A172 Q173 L174L166-T170 PolarHBondContact O-N 3.19Å; L166-T170 PolarHBondContact O-OG1 2.94Å; I167-T170 PolarHBondContact O-N 3.26Å; T170-A172 VanDerWaalsContact C-N 3.34Å; T170-A172 PolarHBondContact O-N 2.85Å; T170-Q173 PolarHBondContact O-N 3.47Å; T170-L174 HydrophobicContact CG2-CD1 4.24Å; T170-L174 WeakPolarHBondContact O-CG 3.44Å; T170-L174 PolarHBondContact O-N 3.32Å
171R67.4Low61.9Low180 Ų18085.2 Ų85.268%0.67948%0.482SS*.Hα-helixtrans-61-42.3173.6-74.2174.1176.6155.5-0.7111.6I167 A168 Q173 L174 A175I167-R171 VanDerWaalsContact CG2-CZ 3.49Å; I167-R171 WeakPolarHBondContact O-CB 3.34Å; I167-R171 WeakPolarHBondContact O-CG 3.34Å; I167-R171 PolarHBondContact O-N 3.26Å; A168-R171 PolarHBondContact O-N 3.29Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; R171-Q173 PolarHBondContact O-N 2.81Å; R171-L174 PolarHBondContact O-N 3.02Å; R171-A175 WeakPolarHBondContact O-CB 3.19Å; R171-A175 PolarHBondContact O-N 3.28Å
172A69.4Low62.8Low48 Ų4886.6 Ų86.640%0.39749%0.485SS..Hα-helixtrans-68-27.7176.800000113.6A168 A169 T170 R176A168-A172 WeakPolarHBondContact O-CB 3.33Å; A168-A172 PolarHBondContact O-N 3.13Å; A169-A172 PolarHBondContact O-N 2.95Å; T170-A172 VanDerWaalsContact C-N 3.34Å; T170-A172 PolarHBondContact O-N 2.85Å; A172-R176 WeakPolarHBondContact O-CG 3.44Å; A172-R176 PolarHBondContact O-N 2.89Å; A172-R176 PolarHBondContact O-NE 3.15Å
173Q58.5Low63.7Low76 Ų7687.7 Ų87.736%0.35548%0.483SS..Hα-helixtrans-72.6-50.7171.6-175.962.152.500111A169 T170 R171 A175 R176 D177A169-Q173 PolarHBondContact O-N 3.46Å; T170-Q173 PolarHBondContact O-N 3.47Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; R171-Q173 PolarHBondContact O-N 2.81Å; Q173-A175 VanDerWaalsContact C-N 3.27Å; Q173-A175 PolarHBondContact O-N 3.35Å; Q173-R176 WeakPolarHBondContact O-CA 3.46Å; Q173-R176 WeakPolarHBondContact O-CB 3.47Å; Q173-R176 PolarHBondContact O-N 2.88Å; Q173-D177 VanDerWaalsContact NE2-CG 3.3Å; Q173-D177 PolarHBondContact NE2-OD1 3.18Å; Q173-D177 PolarHBondContact NE2-OD2 3.37Å; Q173-D177 VanDerWaalsContact NE2-OD2 3.1Å; Q173-D177 VanDerWaalsContact O-CG 3.3Å; Q173-D177 PolarHBondContact O-N 3.37Å
174L69.9Low63.6Low111 Ų11185.7 Ų85.758%0.58148%0.484SS*.Hα-helixtrans-59-36.7177.6-69.7170.3000112.5T170 R171 D177 A178T170-L174 HydrophobicContact CG2-CD1 4.24Å; T170-L174 WeakPolarHBondContact O-CG 3.44Å; T170-L174 PolarHBondContact O-N 3.32Å; R171-L174 PolarHBondContact O-N 3.02Å; L174-D177 PolarHBondContact O-N 2.94Å; L174-A178 VanDerWaalsContact O-CB 3.23Å; L174-A178 WeakPolarHBondContact O-CB 3.28Å; L174-A178 PolarHBondContact O-N 2.82Å
175A72.2Confident63.9Low63 Ų6390.7 Ų90.752%0.52150%0.496SS..Hα-helixtrans-65.2-37.8173.700000112.9R171 Q173 K179R171-A175 WeakPolarHBondContact O-CB 3.19Å; R171-A175 PolarHBondContact O-N 3.28Å; Q173-A175 VanDerWaalsContact C-N 3.27Å; Q173-A175 PolarHBondContact O-N 3.35Å; A175-K179 WeakPolarHBondContact O-CB 3.36Å; A175-K179 PolarHBondContact O-N 3.41Å
176R71.1Confident64.2Low138 Ų13891 Ų9152%0.52150%0.504SS..Hα-helixtrans-69.8-40.2175-77.9179.7-73.4114.6-2.9111.9A172 Q173 K179 A180A172-R176 WeakPolarHBondContact O-CG 3.44Å; A172-R176 PolarHBondContact O-N 2.89Å; A172-R176 PolarHBondContact O-NE 3.15Å; Q173-R176 WeakPolarHBondContact O-CA 3.46Å; Q173-R176 WeakPolarHBondContact O-CB 3.47Å; Q173-R176 PolarHBondContact O-N 2.88Å; R176-K179 PolarHBondContact O-N 2.81Å; R176-A180 WeakPolarHBondContact O-CB 3.49Å; R176-A180 PolarHBondContact O-N 3.47Å
177D66.4Low64.4Low82 Ų8290 Ų9044%0.43951%0.508SS..Hα-helixtrans-70.7-37.3178.8-59.8-26.2000111.6Q173 L174 A180 N181Q173-D177 VanDerWaalsContact NE2-CG 3.3Å; Q173-D177 PolarHBondContact NE2-OD1 3.18Å; Q173-D177 PolarHBondContact NE2-OD2 3.37Å; Q173-D177 VanDerWaalsContact NE2-OD2 3.1Å; Q173-D177 VanDerWaalsContact O-CG 3.3Å; Q173-D177 PolarHBondContact O-N 3.37Å; L174-D177 PolarHBondContact O-N 2.94Å; D177-A180 PolarHBondContact O-N 3.42Å; D177-N181 WeakPolarHBondContact O-CB 3.44Å; D177-N181 PolarHBondContact O-N 2.94Å
178A69.9Low64.2Low59 Ų5990.2 Ų90.249%0.48852%0.523SS..Hα-helixtrans-62.4-44.7171.300000111.7L174 N181 Q182L174-A178 VanDerWaalsContact O-CB 3.23Å; L174-A178 WeakPolarHBondContact O-CB 3.28Å; L174-A178 PolarHBondContact O-N 2.82Å; A178-N181 PolarHBondContact O-N 3.33Å; A178-Q182 WeakPolarHBondContact O-CB 3.29Å; A178-Q182 PolarHBondContact O-N 2.97Å
179K75.1Confident63.4Low124 Ų12493.5 Ų93.554%0.53954%0.537SS..Hα-helixtrans-62.1-46.3174.9-174.1175.2172.555.50111.6A175 R176 N181 Q182 D183A175-K179 WeakPolarHBondContact O-CB 3.36Å; A175-K179 PolarHBondContact O-N 3.41Å; R176-K179 PolarHBondContact O-N 2.81Å; K179-N181 VanDerWaalsContact C-N 3.3Å; K179-N181 PolarHBondContact O-N 3.24Å; K179-Q182 WeakPolarHBondContact O-CB 3.47Å; K179-Q182 PolarHBondContact O-N 3.07Å; K179-Q182 VanDerWaalsContact O-N 3.11Å; K179-D183 WeakPolarHBondContact CG-OD2 3.46Å; K179-D183 IonicContact NZ-OD1 2.75Å; K179-D183 IonicContact NZ-OD2 3.22Å; K179-D183 WeakPolarHBondContact O-CB 3.38Å; K179-D183 PolarHBondContact O-N 3.11Å
180A65.3Low62.5Low57 Ų5795.5 Ų95.547%0.47155%0.548SS..Hα-helixtrans-60.7-36.717700000113R176 D177 A184R176-A180 WeakPolarHBondContact O-CB 3.49Å; R176-A180 PolarHBondContact O-N 3.47Å; D177-A180 PolarHBondContact O-N 3.42Å; A180-A184 VanDerWaalsContact O-CB 3.22Å; A180-A184 WeakPolarHBondContact O-CB 3.47Å; A180-A184 PolarHBondContact O-N 3.15Å
181N60.9Low61.4Low87 Ų8799.8 Ų99.847%0.46557%0.568SS.*Hα-helixtrans-70.6-35174.5-170.54.2000112.4D177 A178 K179 R185D177-N181 WeakPolarHBondContact O-CB 3.44Å; D177-N181 PolarHBondContact O-N 2.94Å; A178-N181 PolarHBondContact O-N 3.33Å; K179-N181 VanDerWaalsContact C-N 3.3Å; K179-N181 PolarHBondContact O-N 3.24Å; N181-R185 WeakPolarHBondContact O-CG 3.34Å; N181-R185 PolarHBondContact O-N 3.41Å; N181-R185 VanDerWaalsContact O-N 3.08Å; N181-R185 PolarHBondContact OD1-NH1 3.38Å
182Q66Low59.9Low141 Ų14194 Ų9466%0.65957%0.565SS**Hα-helixtrans-70.3-42.5174.4-167171.611.700111.6A178 K179 R185 A186A178-Q182 WeakPolarHBondContact O-CB 3.29Å; A178-Q182 PolarHBondContact O-N 2.97Å; K179-Q182 WeakPolarHBondContact O-CB 3.47Å; K179-Q182 PolarHBondContact O-N 3.07Å; K179-Q182 VanDerWaalsContact O-N 3.11Å; Q182-R185 PolarHBondContact O-N 3.4Å; Q182-A186 PolarHBondContact O-N 3.1Å
183D66.9Low58.3Low79 Ų7998.8 Ų98.842%0.42258%0.583SS.*Hα-helixtrans-66.4-38.2175.7-63.7-19.8000110.7K179 R185 A186 A187K179-D183 WeakPolarHBondContact CG-OD2 3.46Å; K179-D183 IonicContact NZ-OD1 2.75Å; K179-D183 IonicContact NZ-OD2 3.22Å; K179-D183 WeakPolarHBondContact O-CB 3.38Å; K179-D183 PolarHBondContact O-N 3.11Å; D183-R185 PolarHBondContact O-N 3.11Å; D183-A186 PolarHBondContact O-N 2.57Å; D183-A187 WeakPolarHBondContact O-CB 3.37Å; D183-A187 PolarHBondContact O-N 3.32Å
184A56.1Low57Low57 Ų57103.5 Ų103.547%0.47161%0.605SS.*Hα-helixtrans-65.1-34.717300000113.3A180 A187A180-A184 VanDerWaalsContact O-CB 3.22Å; A180-A184 WeakPolarHBondContact O-CB 3.47Å; A180-A184 PolarHBondContact O-N 3.15Å; A184-A187 PolarHBondContact O-N 2.88Å
185R59Low55.3Low195 Ų195106 Ų10674%0.73661%0.614SS**Hα-helixtrans-70.2-35.1171.5-80.7177.8158.5126.4-9.8112.5N181 Q182 D183 A187N181-R185 WeakPolarHBondContact O-CG 3.34Å; N181-R185 PolarHBondContact O-N 3.41Å; N181-R185 VanDerWaalsContact O-N 3.08Å; N181-R185 PolarHBondContact OD1-NH1 3.38Å; Q182-R185 PolarHBondContact O-N 3.4Å; D183-R185 PolarHBondContact O-N 3.11Å; R185-A187 VanDerWaalsContact C-N 3.33Å
186A60.7Low53.7Low88 Ų88108.8 Ų108.873%0.72762%0.624SS**Hα-helixtrans-71-28.2173.300000112.8Q182 D183 G188Q182-A186 PolarHBondContact O-N 3.1Å; D183-A186 PolarHBondContact O-N 2.57Å; A186-G188 VanDerWaalsContact C-N 3.3Å; A186-G188 PolarHBondContact O-N 3.11Å
187A58.9Low51.9Low68 Ų68111.8 Ų111.856%0.56264%0.644SS**THydrogen-bonded Turntrans-78.8-2-179.800000115.1D183 A184 R185 V189D183-A187 WeakPolarHBondContact O-CB 3.37Å; D183-A187 PolarHBondContact O-N 3.32Å; A184-A187 PolarHBondContact O-N 2.88Å; R185-A187 VanDerWaalsContact C-N 3.33Å; A187-V189 VanDerWaalsContact C-N 3.35Å; A187-V189 PolarHBondContact O-N 3.41Å
188G55.3Low50.1Low57 Ų57111.2 Ų111.259%0.58866%0.657SS**THydrogen-bonded Turntrans63.728.7165.300000116.4A186 S190A186-G188 VanDerWaalsContact C-N 3.3Å; A186-G188 PolarHBondContact O-N 3.11Å; G188-S190 PolarHBondContact O-N 3.16Å
189V45.3Very low48.7Very low127 Ų127114.2 Ų114.277%0.7767%0.674SS**  trans-7392.1179.2-174.40000110.4A187A187-V189 VanDerWaalsContact C-N 3.35Å; A187-V189 PolarHBondContact O-N 3.41Å
190S39.4Very low46.7Very low96 Ų96116 Ų11667%0.67169%0.689SS**  trans-80.6139169.852.70000111.2G188G188-S190 PolarHBondContact O-N 3.16Å
191N35.2Very low44.9Very low163 Ų163119.6 Ų119.687%0.87270%0.699SS**  trans-110106.4151.5-87.1-25.8000106
192G35.3Very low43.5Very low59 Ų59123.3 Ų123.361%0.60872%0.719SS**  trans-59.2139.3-179.500000112
193D36.3Very low41.8Very low147 Ų147120.2 Ų120.279%0.78673%0.726SS**  86.7114.462.9-77.4-43000112
194H32Very low40.5Very low176 Ų176126.1 Ų126.182%0.81575%0.751SS**  trans-144.894.1141.8-11141.7000112.4
195H33.3Very low39.3Very low163 Ų163129.2 Ų129.276%0.75576%0.759SS**  trans76141.9138.8-72.881.4000121.7
196T39.3Very low38.7Very low121 Ų121129 Ų12974%0.74277%0.766SS**  trans-114.2145.9-161.352.20000112.7
197H32.5Very low37.5Very low202 Ų202134.6 Ų134.694%0.93577%0.769SS**  trans-169.7140.5141.7-93.6-79.7000104.3
198G29.9Very low36.4Very low70 Ų70140.8 Ų140.872%0.72279%0.786SS**  cis158.7131.36.700000105.1
199S40.4Very low35.3Very low121 Ų121145.7 Ų145.785%0.84680%0.798SS**  trans-65149.6-168.8-49.40000114.3
200I31.5Very low34.8Very low163 Ų163144.7 Ų144.784%0.83679%0.794SS**  trans-164.2156145.9-96.5145.9000108.9
201D29Very low34.6Very low131 Ų131146 Ų14670%0.70180%0.8SS**  trans-68.3170.9-168.8-52-104.5000117.4
202D31.2Very low34.5Very low165 Ų165149.5 Ų149.588%0.88280%0.801SS**  trans45.3133.2151.3-63.9-34.5000121.6
203G30.9Very low34.5Very low77 Ų77152.6 Ų152.679%0.79481%0.811SS**  trans138.2115.6154.400000116.8
204E38.1Very low34.5Very low203 Ų203149 Ų14995%0.94981%0.808SS**  trans-28132.1156.1-55.5166.8163.100116
205D31.1Very low34.7Very low121 Ų121151.3 Ų151.365%0.64781%0.81SS**  -167.4138.6129.5-154.11000111.8R207D205-R207 IonicContact OD2-CZ 3.56Å; D205-R207 IonicContact OD2-NE 3.62Å; D205-R207 IonicContact OD2-NH2 2.67Å; D205-R207 PolarHBondContact OD2-NH2 3.12Å
206E46.5Very low34.9Very low190 Ų190148.9 Ų148.989%0.88881%0.809SS**  trans-82.6120.5171.8-73.4-157.3115.500110.5
207R36Very low35Very low207 Ų207150.5 Ų150.578%0.78181%0.812SS**  trans-140.4112.2164.6-110.1171.4-80-171.2-3.3111.2D205 L209D205-R207 IonicContact OD2-CZ 3.56Å; D205-R207 IonicContact OD2-NE 3.62Å; D205-R207 IonicContact OD2-NH2 2.67Å; D205-R207 PolarHBondContact OD2-NH2 3.12Å; R207-L209 PolarHBondContact O-N 2.93Å; R207-L209 VanDerWaalsContact O-N 3.15Å
208E35.6Very low35.6Very low198 Ų198146.3 Ų146.393%0.92581%0.805SS**  trans-55.4116179.1-64.4-168.5122.700111.4
209L32.4Very low36.9Very low160 Ų160150.2 Ų150.284%0.83880%0.802SS**PPolyproline II helixtrans-71.8122.9162.8-84.1160.4000108.1R207R207-L209 PolarHBondContact O-N 2.93Å; R207-L209 VanDerWaalsContact O-N 3.15Å
210P35.6Very low38.4Very low106 Ų106149.6 Ų149.669%0.68879%0.786SS**PPolyproline II helixtrans-60.8137.5177.525-33.5000109.6R212P210-R212 PolarHBondContact O-N 3.16Å; P210-R212 VanDerWaalsContact O-N 3.12Å
211P33.7Very low40.7Very low122 Ų122146.8 Ų146.879%0.79278%0.776SS**PPolyproline II helixtrans-59.5122.6-178.123.5-33.1000109.4P213P211-P213 VanDerWaalsContact O-N 3.16Å
212R33Very low43.4Very low237 Ų237141.5 Ų141.589%0.89475%0.748SS**PPolyproline II helixtrans-53.8123.7178.3-66.4-176.7179.7-146-0.5108.4P210 G214P210-R212 PolarHBondContact O-N 3.16Å; P210-R212 VanDerWaalsContact O-N 3.12Å; R212-G214 PolarHBondContact O-N 3.4Å
213P37.1Very low46Very low125 Ų125142.5 Ų142.581%0.81274%0.739SS**  trans-60.4115.317922.9-32.1000108.5P211 R215P211-P213 VanDerWaalsContact O-N 3.16Å; P213-R215 PolarHBondContact O-N 2.94Å
214G36.4Very low48.5Very low71 Ų71139.2 Ų139.273%0.73270%0.704SS**  trans-58.1111.5-178.500000109.4R212 P216R212-G214 PolarHBondContact O-N 3.4Å; G214-P216 VanDerWaalsContact O-CD 3.28Å; G214-P216 WeakPolarHBondContact O-CD 3.5Å
215R34.1Very low50.6Low224 Ų224134.7 Ų134.785%0.84570%0.695SS**  trans-54.6114.8177.3-169.5-169.4-55.5-98.82.6107.6P213 L217P213-R215 PolarHBondContact O-N 2.94Å; R215-L217 PolarHBondContact O-N 3.16Å
216P38.8Very low53Low113 Ų113134.5 Ų134.573%0.73469%0.688SS**  trans-67.7109.2-177.125.8-32.3000108.1G214 S218G214-P216 VanDerWaalsContact O-CD 3.28Å; G214-P216 WeakPolarHBondContact O-CD 3.5Å; P216-S218 PolarHBondContact O-N 2.75Å
217L40.8Very low54.4Low155 Ų155134.2 Ų134.281%0.81269%0.687SS**  trans-64.991.9163.6-74170.5000106.7R215 K219R215-L217 PolarHBondContact O-N 3.16Å; L217-K219 PolarHBondContact O-N 3.41Å
218S45.5Very low56.2Low113 Ų113128.5 Ų128.579%0.7969%0.693SS**  trans-65.481.1174.950.10000109.2P216 Q220P216-S218 PolarHBondContact O-N 2.75Å; S218-Q220 PolarHBondContact O-N 3.27Å
219K58Low58.4Low152 Ų152120.5 Ų120.566%0.66166%0.658SS**  trans-53.3106.7172-68.5176-176.7172.70106.9L217 V221 T234L217-K219 PolarHBondContact O-N 3.41Å; K219-V221 WeakPolarHBondContact O-CG2 3.45Å; K219-V221 PolarHBondContact O-N 3.07Å; K219-T234 HydrophobicContact CB-CG2 4.33Å; K219-T234 HydrophobicContact CD-CG2 4.35Å
220Q70.6Confident60.6Low108 Ų108115.6 Ų115.651%0.50565%0.646SS.*  trans-57.7110.9-175-174170.82300108.8S218 L222S218-Q220 PolarHBondContact O-N 3.27Å; Q220-L222 HydrophobicContact CG-CD2 3.96Å; Q220-L222 HydrophobicContact CG-CG 4.21Å; Q220-L222 PolarHBondContact O-N 3.35Å; Q220-L222 VanDerWaalsContact O-N 3.13Å
221V80.8Confident62.7Low104 Ų104117.8 Ų117.863%0.6364%0.641SS**  trans-80.198.4-178.6-1760000108K219 T232K219-V221 WeakPolarHBondContact O-CG2 3.45Å; K219-V221 PolarHBondContact O-N 3.07Å; V221-T232 HydrophobicContact CG1-CG2 3.8Å
222L85.9Confident65.2Low21 Ų21115.8 Ų115.811%0.1163%0.626CS.*EExtended strand (participates in β ladder)trans-89107.3-177.5-60.1156.2000108.6Q220 T232 F233 R236 L239Q220-L222 HydrophobicContact CG-CD2 3.96Å; Q220-L222 HydrophobicContact CG-CG 4.21Å; Q220-L222 PolarHBondContact O-N 3.35Å; Q220-L222 VanDerWaalsContact O-N 3.13Å; L222-T232 CarbonylContact O-C 3.53Å; L222-T232 WeakPolarHBondContact O-CA 3.33Å; L222-F233 WeakPolarHBondContact CB-O 3.43Å; L222-F233 PolarHBondContact N-O 3.25Å; L222-F233 PolarHBondContact O-N 2.59Å; L222-R236 HydrophobicContact CD1-CB 4.17Å; L222-R236 HydrophobicContact CD1-CG 3.52Å; L222-R236 VanDerWaalsContact CD1-N 3.3Å; L222-R236 HydrophobicContact CD2-CG 4.22Å; L222-L239 HydrophobicContact CB-CD2 3.83Å
223R84.2Confident67.7Low186 Ų186106.4 Ų106.470%0.70259%0.592SS**EExtended strand (participates in β ladder)trans-79.2145177.1-168.9177.3-77.3176-3.9110.7T232R223-T232 HydrophobicContact CB-CG2 4.28Å; R223-T232 HydrophobicContact CG-CG2 4.25Å
224C85.3Confident70.1Confident8 Ų8103.6 Ų103.65%0.05457%0.573CS.*  trans-62.8131.3166.9-172.40000110F226 C229 R231 L239 H242 H246C224-F226 VanDerWaalsContact C-N 3.26Å; C224-F226 PolarHBondContact O-N 3.07Å; C224-C229 HydrophobicContact CB-CB 4.39Å; C224-R231 HydrophobicContact CB-CB 4.49Å; C224-R231 WeakPolarHBondContact CB-O 3.3Å; C224-R231 PolarHBondContact N-O 3.18Å; C224-L239 HydrophobicContact CB-CD1 4.28Å; C224-H242 PolarHBondContact SG-NE2 3.13Å; C224-H242 VanDerWaalsContact SG-NE2 3.36Å; C224-H246 PolarHBondContact SG-NE2 3.22Å
225S82.4Confident72.3Confident108 Ų108108 Ų10876%0.75557%0.567SS**  trans-832.4178.759.40000114
226F79.9Confident74.6Confident116 Ų116105 Ų10551%0.50956%0.556SS.*SBendtrans-87.8127.4178.9-161.6-93.6000110.2C224 C229 H246C224-F226 VanDerWaalsContact C-N 3.26Å; C224-F226 PolarHBondContact O-N 3.07Å; F226-C229 HydrophobicContact CB-CB 4.18Å; F226-C229 HydrophobicContact CD1-CB 4.46Å; F226-C229 WeakPolarHBondContact O-CB 3.34Å; F226-C229 PolarHBondContact O-N 2.99Å; F226-C229 VanDerWaalsContact O-N 3.14Å; F226-H246 VanDerWaalsContact CB-CD2 3.48Å; F226-H246 WeakPolarHBondContact CB-CD2 3.37Å; F226-H246 AromaticContact CD1-ND1 3.97Å; F226-H246 HydrophobicContact CD2-CB 3.97Å; F226-H246 HydrophobicContact CE2-CB 4.24Å; F226-H246 HydrophobicContact CG-CB 4.15Å; F226-H246 AromaticContact CG-CD2 3.8Å; F226-H246 AromaticContact CG-CG 3.79Å
227E76.1Confident76.7Confident185 Ų185102 Ų10286%0.86454%0.541SS*.THydrogen-bonded Turntrans-60.8140.9-179.3-162.4158.3-151.700110.9C229E227-C229 PolarHBondContact O-N 2.67Å; E227-C229 VanDerWaalsContact O-N 3.13Å
228G74.4Confident78.6Confident87 Ų8799 Ų9990%0.89752%0.523SS*.THydrogen-bonded Turntrans71.7-9.1-172.400000116.5
229C81.4Confident80.5Confident30 Ų3094.8 Ų94.820%0.20349%0.491CS..THydrogen-bonded Turntrans-82.6-40.6-177.8-175.30000114.5C224 F226 E227 R231 H242 H246C224-C229 HydrophobicContact CB-CB 4.39Å; F226-C229 HydrophobicContact CB-CB 4.18Å; F226-C229 HydrophobicContact CD1-CB 4.46Å; F226-C229 WeakPolarHBondContact O-CB 3.34Å; F226-C229 PolarHBondContact O-N 2.99Å; F226-C229 VanDerWaalsContact O-N 3.14Å; E227-C229 PolarHBondContact O-N 2.67Å; E227-C229 VanDerWaalsContact O-N 3.13Å; C229-R231 PolarHBondContact O-N 3.22Å; C229-H242 PolarHBondContact SG-CE1 2.67Å; C229-H242 PolarHBondContact SG-NE2 2.25Å; C229-H246 PolarHBondContact SG-CE1 3.18Å; C229-H246 PolarHBondContact SG-NE2 2.8Å
230G79.4Confident81.7Confident56 Ų5694.7 Ų94.758%0.57749%0.491SS*.  trans64.3-13.9175.500000118
231R79.6Confident81.8Confident152 Ų15295 Ų9557%0.57449%0.488SS*.  trans-63.1140.3-172.1-73.2-177.9173.9168.91.8113.4C224 C229 F233C224-R231 HydrophobicContact CB-CB 4.49Å; C224-R231 WeakPolarHBondContact CB-O 3.3Å; C224-R231 PolarHBondContact N-O 3.18Å; C229-R231 PolarHBondContact O-N 3.22Å; R231-F233 HydrophobicContact CB-CE2 3.66Å; R231-F233 HydrophobicContact CB-CZ 3.85Å
232T86.6Confident81.8Confident80 Ų8090.6 Ų90.649%0.49146%0.46SS..EExtended strand (participates in β ladder)trans-117.5147.4178.152.60000111.8V221 L222 R223V221-T232 HydrophobicContact CG1-CG2 3.8Å; L222-T232 CarbonylContact O-C 3.53Å; L222-T232 WeakPolarHBondContact O-CA 3.33Å; R223-T232 HydrophobicContact CB-CG2 4.28Å; R223-T232 HydrophobicContact CG-CG2 4.25Å
233F85Confident81.5Confident40 Ų4092.5 Ų92.518%0.17547%0.471CS..EExtended strand (participates in β ladder)trans-135.7141.3-175-59.4-88.6000110.5L222 R231 H238 L239 H242L222-F233 WeakPolarHBondContact CB-O 3.43Å; L222-F233 PolarHBondContact N-O 3.25Å; L222-F233 PolarHBondContact O-N 2.59Å; R231-F233 HydrophobicContact CB-CE2 3.66Å; R231-F233 HydrophobicContact CB-CZ 3.85Å; F233-H238 HydrophobicContact CB-CB 4.46Å; F233-H238 HydrophobicContact CD1-CB 3.77Å; F233-H238 HydrophobicContact CG-CB 4.45Å; F233-L239 HydrophobicContact CB-CB 4.11Å; F233-L239 HydrophobicContact CD2-CB 3.98Å; F233-L239 HydrophobicContact CD2-CD1 3.8Å; F233-L239 HydrophobicContact CD2-CG 4.45Å; F233-L239 HydrophobicContact CE2-CD1 4.07Å; F233-L239 HydrophobicContact CG-CB 4.08Å; F233-H242 HydrophobicContact CE1-CB 3.89Å; F233-H242 HydrophobicContact CE2-CB 4.04Å; F233-H242 AromaticContact CE2-CD2 3.19Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.46Å; F233-H242 AromaticContact CE2-CG 3.79Å; F233-H242 HydrophobicContact CZ-CB 3.46Å; F233-H242 VanDerWaalsContact CZ-CB 3.46Å; F233-H242 AromaticContact CZ-CD2 3.21Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.31Å; F233-H242 AromaticContact CZ-CG 3.33Å
234T86.8Confident81.1Confident66 Ų6687.3 Ų87.341%0.40545%0.453SS..SBendtrans-81.9-16.1174.749.40000113.5K219K219-T234 HydrophobicContact CB-CG2 4.33Å; K219-T234 HydrophobicContact CD-CG2 4.35Å
235W81.9Confident80.4Confident163 Ų16389 Ų8962%0.61746%0.463SS*.SBendtrans-132.1135-174.7-62.9-46.2000112A237 H238 L239W235-A237 PolarHBondContact O-N 3.06Å; W235-H238 AromaticContact CE3-CE1 3.44Å; W235-H238 VanDerWaalsContact CE3-CE1 3.44Å; W235-H238 AromaticContact CE3-ND1 3.63Å; W235-H238 AromaticContact CE3-NE2 3.93Å; W235-H238 AromaticContact CZ3-CE1 3.66Å; W235-H238 PolarHBondContact O-N 3.17Å; W235-H238 VanDerWaalsContact O-N 3.1Å; W235-L239 PolarHBondContact O-N 2.91Å
236R83.7Confident80.1Confident161 Ų16186.6 Ų86.661%0.60844%0.44SS*.Hα-helixtrans-57.3-36.1178.3-79-172.8164.774.26.2112.7L222 L239 K240L222-R236 HydrophobicContact CD1-CB 4.17Å; L222-R236 HydrophobicContact CD1-CG 3.52Å; L222-R236 VanDerWaalsContact CD1-N 3.3Å; L222-R236 HydrophobicContact CD2-CG 4.22Å; R236-L239 PolarHBondContact O-N 3.33Å; R236-K240 WeakPolarHBondContact O-CB 3.34Å; R236-K240 PolarHBondContact O-N 2.96Å
237A81.6Confident79.6Confident51 Ų5190 Ų9042%0.42145%0.449SS..Hα-helixtrans-58.5-49.1175.300000111.6W235 L239 K240 Y241W235-A237 PolarHBondContact O-N 3.06Å; A237-L239 PolarHBondContact O-N 3.48Å; A237-K240 WeakPolarHBondContact O-CB 3.47Å; A237-K240 PolarHBondContact O-N 3.27Å; A237-K240 VanDerWaalsContact O-N 3.14Å; A237-Y241 HydrophobicContact CB-CE2 4.29Å; A237-Y241 WeakPolarHBondContact O-CD2 3.43Å; A237-Y241 PolarHBondContact O-N 3.19Å
238H82.3Confident79.1Confident92 Ų9286.4 Ų86.443%0.42644%0.436SS..Hα-helixtrans-65-41.2-179.6-72-167.7000112.5F233 W235 K240 Y241 H242F233-H238 HydrophobicContact CB-CB 4.46Å; F233-H238 HydrophobicContact CD1-CB 3.77Å; F233-H238 HydrophobicContact CG-CB 4.45Å; W235-H238 AromaticContact CE3-CE1 3.44Å; W235-H238 VanDerWaalsContact CE3-CE1 3.44Å; W235-H238 AromaticContact CE3-ND1 3.63Å; W235-H238 AromaticContact CE3-NE2 3.93Å; W235-H238 AromaticContact CZ3-CE1 3.66Å; W235-H238 PolarHBondContact O-N 3.17Å; W235-H238 VanDerWaalsContact O-N 3.1Å; H238-K240 VanDerWaalsContact C-N 3.35Å; H238-K240 PolarHBondContact O-N 3.07Å; H238-Y241 PolarHBondContact O-N 2.9Å; H238-H242 WeakPolarHBondContact O-CB 3.29Å; H238-H242 PolarHBondContact O-N 3.42Å
239L84.6Confident78.5Confident24 Ų2485.2 Ų85.213%0.12641%0.409CS..Hα-helixtrans-60.3-44.4171.317558.6000111.2L222 C224 F233 W235 R236 A237 Y241 H242 L243L222-L239 HydrophobicContact CB-CD2 3.83Å; C224-L239 HydrophobicContact CB-CD1 4.28Å; F233-L239 HydrophobicContact CB-CB 4.11Å; F233-L239 HydrophobicContact CD2-CB 3.98Å; F233-L239 HydrophobicContact CD2-CD1 3.8Å; F233-L239 HydrophobicContact CD2-CG 4.45Å; F233-L239 HydrophobicContact CE2-CD1 4.07Å; F233-L239 HydrophobicContact CG-CB 4.08Å; W235-L239 PolarHBondContact O-N 2.91Å; R236-L239 PolarHBondContact O-N 3.33Å; A237-L239 PolarHBondContact O-N 3.48Å; L239-Y241 VanDerWaalsContact C-N 3.33Å; L239-Y241 PolarHBondContact O-N 3.49Å; L239-H242 CarbonylContact O-C 3.21Å; L239-H242 PolarHBondContact O-N 2.94Å; L239-H242 VanDerWaalsContact O-N 3.13Å; L239-L243 HydrophobicContact CD1-CD1 4.06Å; L239-L243 HydrophobicContact CD1-CD2 4.23Å; L239-L243 HydrophobicContact CD1-CG 3.84Å; L239-L243 HydrophobicContact CG-CD1 4Å; L239-L243 HydrophobicContact CG-CG 4.27Å; L239-L243 WeakPolarHBondContact O-CG 3.23Å; L239-L243 PolarHBondContact O-N 2.84Å
240K82.5Confident77.5Confident150 Ų15092.9 Ų92.965%0.65243%0.434SS*.Hα-helixtrans-62.1-36.2178.2-171.7176.7-176.1176.80112.9R236 A237 H238R236-K240 WeakPolarHBondContact O-CB 3.34Å; R236-K240 PolarHBondContact O-N 2.96Å; A237-K240 WeakPolarHBondContact O-CB 3.47Å; A237-K240 PolarHBondContact O-N 3.27Å; A237-K240 VanDerWaalsContact O-N 3.14Å; H238-K240 VanDerWaalsContact C-N 3.35Å; H238-K240 PolarHBondContact O-N 3.07Å
241Y74.2Confident77.5Confident115 Ų11592.4 Ų92.445%0.45142%0.417SS..Hα-helixtrans-71.4-38.8172-69-65.9000112.2A237 H238 L239 K244A237-Y241 HydrophobicContact CB-CE2 4.29Å; A237-Y241 WeakPolarHBondContact O-CD2 3.43Å; A237-Y241 PolarHBondContact O-N 3.19Å; H238-Y241 PolarHBondContact O-N 2.9Å; L239-Y241 VanDerWaalsContact C-N 3.33Å; L239-Y241 PolarHBondContact O-N 3.49Å; Y241-K244 WeakPolarHBondContact O-CB 3.39Å; Y241-K244 PolarHBondContact O-N 2.87Å
242H80.8Confident77.6Confident11 Ų1189.3 Ų89.35%0.05141%0.408CS..Hα-helixtrans-67.9-37.7177.1170.745.9000113.1C224 C229 F233 H238 L239 K244 T245 H246C224-H242 PolarHBondContact SG-NE2 3.13Å; C224-H242 VanDerWaalsContact SG-NE2 3.36Å; C229-H242 PolarHBondContact SG-CE1 2.67Å; C229-H242 PolarHBondContact SG-NE2 2.25Å; F233-H242 HydrophobicContact CE1-CB 3.89Å; F233-H242 HydrophobicContact CE2-CB 4.04Å; F233-H242 AromaticContact CE2-CD2 3.19Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.46Å; F233-H242 AromaticContact CE2-CG 3.79Å; F233-H242 HydrophobicContact CZ-CB 3.46Å; F233-H242 VanDerWaalsContact CZ-CB 3.46Å; F233-H242 AromaticContact CZ-CD2 3.21Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.31Å; F233-H242 AromaticContact CZ-CG 3.33Å; H238-H242 WeakPolarHBondContact O-CB 3.29Å; H238-H242 PolarHBondContact O-N 3.42Å; L239-H242 CarbonylContact O-C 3.21Å; L239-H242 PolarHBondContact O-N 2.94Å; L239-H242 VanDerWaalsContact O-N 3.13Å; H242-K244 PolarHBondContact O-N 2.81Å; H242-K244 VanDerWaalsContact O-N 3.16Å; H242-T245 PolarHBondContact ND1-OG1 3.46Å; H242-T245 WeakPolarHBondContact O-CA 3.29Å; H242-T245 WeakPolarHBondContact O-CB 3.28Å; H242-T245 PolarHBondContact O-N 3.38Å; H242-T245 PolarHBondContact O-OG1 3.23Å; H242-H246 AromaticContact CE1-CE1 3.62Å; H242-H246 AromaticContact CE1-NE2 3.2Å; H242-H246 PolarHBondContact CE1-NE2 3.45Å; H242-H246 AromaticContact NE2-CE1 4Å; H242-H246 AromaticContact NE2-NE2 3.21Å; H242-H246 PolarHBondContact NE2-NE2 3.26Å
243L78.6Confident77.4Confident62 Ų6291.9 Ų91.933%0.32541%0.414SS..Hα-helixtrans-61.1-26.5177.2-71.3169.7000112.6L239 T245 H246L239-L243 HydrophobicContact CD1-CD1 4.06Å; L239-L243 HydrophobicContact CD1-CD2 4.23Å; L239-L243 HydrophobicContact CD1-CG 3.84Å; L239-L243 HydrophobicContact CG-CD1 4Å; L239-L243 HydrophobicContact CG-CG 4.27Å; L239-L243 WeakPolarHBondContact O-CG 3.23Å; L239-L243 PolarHBondContact O-N 2.84Å; L243-T245 PolarHBondContact O-N 2.93Å; L243-H246 PolarHBondContact O-N 3.25Å
244K75.8Confident77.5Confident77 Ų7790.2 Ų90.234%0.33541%0.407SS..Hα-helixtrans-65.2-22.6170.2-60.5176.5180-178.20113Y241 H242 H246 N248Y241-K244 WeakPolarHBondContact O-CB 3.39Å; Y241-K244 PolarHBondContact O-N 2.87Å; H242-K244 PolarHBondContact O-N 2.81Å; H242-K244 VanDerWaalsContact O-N 3.16Å; K244-H246 VanDerWaalsContact C-N 3.3Å; K244-H246 PolarHBondContact O-N 3.09Å; K244-N248 PolarHBondContact O-N 2.88Å
245T71.8Confident77.4Confident42 Ų4292 Ų9226%0.25842%0.422SS..Hα-helixtrans-73.9-20.8177.9730000113.7H242 L243 M251H242-T245 PolarHBondContact ND1-OG1 3.46Å; H242-T245 WeakPolarHBondContact O-CA 3.29Å; H242-T245 WeakPolarHBondContact O-CB 3.28Å; H242-T245 PolarHBondContact O-N 3.38Å; H242-T245 PolarHBondContact O-OG1 3.23Å; L243-T245 PolarHBondContact O-N 2.93Å; T245-M251 VanDerWaalsContact CA-CE 3.47Å; T245-M251 HydrophobicContact CG2-CE 4.36Å; T245-M251 WeakPolarHBondContact O-CE 3.48Å
246H74.9Confident77.6Confident59 Ų5985.3 Ų85.327%0.27340%0.402SS..Hα-helixtrans-86.3-30.8174.7-62.1-47.6000112.5C224 F226 C229 H242 L243 K244C224-H246 PolarHBondContact SG-NE2 3.22Å; F226-H246 VanDerWaalsContact CB-CD2 3.48Å; F226-H246 WeakPolarHBondContact CB-CD2 3.37Å; F226-H246 AromaticContact CD1-ND1 3.97Å; F226-H246 HydrophobicContact CD2-CB 3.97Å; F226-H246 HydrophobicContact CE2-CB 4.24Å; F226-H246 HydrophobicContact CG-CB 4.15Å; F226-H246 AromaticContact CG-CD2 3.8Å; F226-H246 AromaticContact CG-CG 3.79Å; C229-H246 PolarHBondContact SG-CE1 3.18Å; C229-H246 PolarHBondContact SG-NE2 2.8Å; H242-H246 AromaticContact CE1-CE1 3.62Å; H242-H246 AromaticContact CE1-NE2 3.2Å; H242-H246 PolarHBondContact CE1-NE2 3.45Å; H242-H246 AromaticContact NE2-CE1 4Å; H242-H246 AromaticContact NE2-NE2 3.21Å; H242-H246 PolarHBondContact NE2-NE2 3.26Å; L243-H246 PolarHBondContact O-N 3.25Å; K244-H246 VanDerWaalsContact C-N 3.3Å; K244-H246 PolarHBondContact O-N 3.09Å
247R69.3Low77.5Confident188 Ų18886.5 Ų86.571%0.70942%0.415SS*.Hα-helixtrans-82.7-18.9-175.9-160.1175.8151.8128.3-1.8113.2D249R247-D249 HydrophobicContact CB-CB 4.22Å; R247-D249 HydrophobicContact CG-CB 3.71Å; R247-D249 IonicContact CZ-OD2 2.67Å; R247-D249 IonicContact NE-OD2 3.31Å; R247-D249 PolarHBondContact NE-OD2 3.13Å; R247-D249 IonicContact NH2-OD2 2.8Å; R247-D249 PolarHBondContact NH2-OD2 3.25Å; R247-D249 PolarHBondContact O-N 3.16Å
248N65.8Low77.5Confident108 Ų10888.3 Ų88.358%0.57844%0.438SS*.  trans55-20.5-168.7-75-19.2000116.5K244 R250 M251K244-N248 PolarHBondContact O-N 2.88Å; N248-R250 PolarHBondContact O-N 3.14Å; N248-R250 VanDerWaalsContact O-N 3.08Å; N248-M251 PolarHBondContact O-N 2.81Å; N248-M251 VanDerWaalsContact O-N 3.12Å; N248-M251 WeakPolarHBondContact OD1-CE 3.45Å
249D61.2Low77.7Confident62 Ų6284.8 Ų84.833%0.33242%0.423SS..THydrogen-bonded Turntrans-51.6106.4170.8-170-7.8000110.6R247R247-D249 HydrophobicContact CB-CB 4.22Å; R247-D249 HydrophobicContact CG-CB 3.71Å; R247-D249 IonicContact CZ-OD2 2.67Å; R247-D249 IonicContact NE-OD2 3.31Å; R247-D249 PolarHBondContact NE-OD2 3.13Å; R247-D249 IonicContact NH2-OD2 2.8Å; R247-D249 PolarHBondContact NH2-OD2 3.25Å; R247-D249 PolarHBondContact O-N 3.16Å
250R61.8Low77.5Confident192 Ų19286.5 Ų86.573%0.72545%0.447SS*.THydrogen-bonded Turntrans78.535.5-178.5-45.1167.7-159.8-160.60.6116.5N248N248-R250 PolarHBondContact O-N 3.14Å; N248-R250 VanDerWaalsContact O-N 3.08Å
251M78.2Confident77.4Confident45 Ų4584.8 Ų84.822%0.22244%0.439CS..  trans-81.6142.4155.1-63.3-169-175.100111.7T245 N248 S262T245-M251 VanDerWaalsContact CA-CE 3.47Å; T245-M251 HydrophobicContact CG2-CE 4.36Å; T245-M251 WeakPolarHBondContact O-CE 3.48Å; N248-M251 PolarHBondContact O-N 2.81Å; N248-M251 VanDerWaalsContact O-N 3.12Å; N248-M251 WeakPolarHBondContact OD1-CE 3.45Å; M251-S262 PolarHBondContact SD-OG 3.47Å
252F81.8Confident77.8Confident87 Ų8782 Ų8238%0.38244%0.437SS..EExtended strand (participates in β ladder)trans-85.6108.8169.3-58.4-85.8000109S262 F263 L266 L269F252-S262 WeakPolarHBondContact O-CA 3.34Å; F252-F263 WeakPolarHBondContact CD2-O 3.43Å; F252-F263 PolarHBondContact N-O 2.85Å; F252-F263 PolarHBondContact O-N 3.32Å; F252-L266 HydrophobicContact CD1-CB 4.14Å; F252-L266 HydrophobicContact CD1-CD1 3.83Å; F252-L266 HydrophobicContact CD2-CB 4.18Å; F252-L266 VanDerWaalsContact CD2-N 3.29Å; F252-L266 HydrophobicContact CE1-CB 3.96Å; F252-L266 HydrophobicContact CE1-CD1 4.18Å; F252-L266 HydrophobicContact CE1-CG 4.47Å; F252-L266 HydrophobicContact CE2-CB 4.02Å; F252-L266 HydrophobicContact CG-CB 4.25Å; F252-L266 HydrophobicContact CG-CD1 4.3Å; F252-L266 HydrophobicContact CZ-CB 3.9Å; F252-L269 HydrophobicContact CB-CB 4.12Å; F252-L269 HydrophobicContact CB-CD2 3.7Å
253Q82.6Confident77.9Confident134 Ų13483.6 Ų83.663%0.62644%0.444SS*.EExtended strand (participates in β ladder)trans-80.9145.7178.8-169.6172.4-4.800111.4S255 L269Q253-S255 PolarHBondContact O-N 3.49Å; Q253-L269 WeakPolarHBondContact O-CD2 3.29Å
254C88.4Confident77.9Confident5 Ų584.4 Ų84.43%0.03444%0.443CS..  trans-72.1121.6168.4-175.10000109.9A256 C259 K261 L269 H272 M273 H276C254-A256 VanDerWaalsContact C-N 3.25Å; C254-A256 PolarHBondContact O-N 3.33Å; C254-A256 VanDerWaalsContact SG-CB 3.58Å; C254-C259 HydrophobicContact CB-CB 4.33Å; C254-K261 WeakPolarHBondContact CB-O 3.4Å; C254-K261 PolarHBondContact N-O 3.31Å; C254-L269 HydrophobicContact CB-CD1 3.94Å; C254-H272 PolarHBondContact SG-NE2 3.48Å; C254-H272 VanDerWaalsContact SG-NE2 3.45Å; C254-M273 PolarHBondContact SG-SD 3.18Å; C254-H276 PolarHBondContact SG-NE2 3.2Å
255S83.9Confident78.2Confident103 Ų10383.1 Ų83.172%0.7244%0.442SS*.  trans-81.32.7176.8550000114Q253Q253-S255 PolarHBondContact O-N 3.49Å
256A85.4Confident78.7Confident24 Ų2485 Ų8520%0.19845%0.45CS..SBendtrans-76127.7175.900000110.5C254 G258 C259C254-A256 VanDerWaalsContact C-N 3.25Å; C254-A256 PolarHBondContact O-N 3.33Å; C254-A256 VanDerWaalsContact SG-CB 3.58Å; A256-G258 PolarHBondContact O-N 3.46Å; A256-C259 HydrophobicContact CB-CB 4.11Å; A256-C259 WeakPolarHBondContact O-CB 3.34Å; A256-C259 PolarHBondContact O-N 2.89Å
257E81.8Confident79.3Confident186 Ų18688.7 Ų88.787%0.86947%0.467SS*.THydrogen-bonded Turntrans-50.9135.6178.1-68.8-60.2159.600112C259E257-C259 PolarHBondContact O-N 3.46Å; E257-C259 VanDerWaalsContact O-N 3.14Å
258G81.3Confident80.1Confident88 Ų8886.1 Ų86.191%0.90746%0.457SS*.THydrogen-bonded Turntrans68.60.5-177.700000116.2A256A256-G258 PolarHBondContact O-N 3.46Å
259C86.8Confident81.2Confident18 Ų1881.9 Ų81.912%0.12244%0.435CS..THydrogen-bonded Turntrans-82.8-45.9-177.5-167.90000114.3C254 A256 E257 K261 H272 H276C254-C259 HydrophobicContact CB-CB 4.33Å; A256-C259 HydrophobicContact CB-CB 4.11Å; A256-C259 WeakPolarHBondContact O-CB 3.34Å; A256-C259 PolarHBondContact O-N 2.89Å; E257-C259 PolarHBondContact O-N 3.46Å; E257-C259 VanDerWaalsContact O-N 3.14Å; C259-K261 PolarHBondContact O-N 2.78Å; C259-H272 PolarHBondContact SG-NE2 3.29Å; C259-H276 WeakPolarHBondContact CB-CE1 3.21Å; C259-H276 WeakPolarHBondContact CB-NE2 3.27Å; C259-H276 PolarHBondContact SG-CE1 3.13Å; C259-H276 PolarHBondContact SG-NE2 3.26Å
260G80.1Confident82.5Confident60 Ų6084 Ų8462%0.61944%0.443SS*.  trans63.8-5.2176.900000117.4
261K81.8Confident83.8Confident114 Ų11477 Ų7750%0.49642%0.421SS..  trans-74.3145.4-174.1-69.9170.6-168.5166.90112.5C254 C259 F263C254-K261 WeakPolarHBondContact CB-O 3.4Å; C254-K261 PolarHBondContact N-O 3.31Å; C259-K261 PolarHBondContact O-N 2.78Å; K261-F263 HydrophobicContact CB-CE2 3.81Å; K261-F263 HydrophobicContact CB-CZ 4.07Å
262S82.3Confident84.3Confident58 Ų5875.6 Ų75.641%0.40641%0.414SS..EExtended strand (participates in β ladder)trans-130.9148.3179.359.20000112M251 F252M251-S262 PolarHBondContact SD-OG 3.47Å; F252-S262 WeakPolarHBondContact O-CA 3.34Å
263F83.3Confident84.7Confident44 Ų4474 Ų7419%0.19341%0.408CS..EExtended strand (participates in β ladder)trans-134.6133.9-171.7-59.9-92.3000110.7F252 K261 V265 R268 L269 H272F252-F263 WeakPolarHBondContact CD2-O 3.43Å; F252-F263 PolarHBondContact N-O 2.85Å; F252-F263 PolarHBondContact O-N 3.32Å; K261-F263 HydrophobicContact CB-CE2 3.81Å; K261-F263 HydrophobicContact CB-CZ 4.07Å; F263-V265 PolarHBondContact O-N 3.22Å; F263-R268 HydrophobicContact CB-CB 4.19Å; F263-R268 HydrophobicContact CD1-CB 3.82Å; F263-R268 HydrophobicContact CG-CB 4.29Å; F263-L269 HydrophobicContact CB-CB 4.22Å; F263-L269 HydrophobicContact CD2-CB 3.97Å; F263-L269 HydrophobicContact CD2-CD1 3.91Å; F263-L269 HydrophobicContact CE2-CD1 4.16Å; F263-L269 HydrophobicContact CG-CB 4.25Å; F263-H272 HydrophobicContact CE1-CB 3.97Å; F263-H272 HydrophobicContact CE2-CB 3.87Å; F263-H272 AromaticContact CE2-CD2 3.18Å; F263-H272 WeakPolarHBondContact CE2-CD2 3.44Å; F263-H272 AromaticContact CE2-CG 3.67Å; F263-H272 HydrophobicContact CZ-CB 3.45Å; F263-H272 VanDerWaalsContact CZ-CB 3.45Å; F263-H272 AromaticContact CZ-CD2 3.35Å; F263-H272 WeakPolarHBondContact CZ-CD2 3.3Å; F263-H272 AromaticContact CZ-CG 3.34Å
264Y77.3Confident85.1Confident79 Ų7970.3 Ų70.331%0.3139%0.389SS..SBendtrans-76.51.1178.770.1-83.6000114.4R268Y264-R268 PolarHBondContact OH-NH1 3.26Å; Y264-R268 PolarHBondContact OH-NH2 2.82Å
265V81.7Confident85.2Confident50 Ų5074.2 Ų74.230%0.30341%0.412SS..SBendtrans-142.4131.3177.6178.40000110F263 Q267 R268 L269F263-V265 PolarHBondContact O-N 3.22Å; V265-Q267 HydrophobicContact CG1-CB 4.01Å; V265-Q267 PolarHBondContact O-N 3.33Å; V265-R268 HydrophobicContact CB-CG 4.32Å; V265-R268 WeakPolarHBondContact O-CB 3.22Å; V265-R268 PolarHBondContact O-N 3.18Å; V265-L269 PolarHBondContact O-N 2.83Å
266L83.8Confident85.4Confident81 Ų8173.7 Ų73.742%0.42440%0.398SS..Hα-helixtrans-57.6-42.2-179.2-17960.7000113.1F252 R268 L269 Q270F252-L266 HydrophobicContact CD1-CB 4.14Å; F252-L266 HydrophobicContact CD1-CD1 3.83Å; F252-L266 HydrophobicContact CD2-CB 4.18Å; F252-L266 VanDerWaalsContact CD2-N 3.29Å; F252-L266 HydrophobicContact CE1-CB 3.96Å; F252-L266 HydrophobicContact CE1-CD1 4.18Å; F252-L266 HydrophobicContact CE1-CG 4.47Å; F252-L266 HydrophobicContact CE2-CB 4.02Å; F252-L266 HydrophobicContact CG-CB 4.25Å; F252-L266 HydrophobicContact CG-CD1 4.3Å; F252-L266 HydrophobicContact CZ-CB 3.9Å; L266-R268 PolarHBondContact O-N 3.27Å; L266-L269 HydrophobicContact CD1-CD2 4.4Å; L266-L269 CarbonylContact O-C 3.58Å; L266-L269 WeakPolarHBondContact O-CA 3.46Å; L266-L269 WeakPolarHBondContact O-CB 3.48Å; L266-L269 PolarHBondContact O-N 3.11Å; L266-Q270 HydrophobicContact CG-CG 4.49Å; L266-Q270 PolarHBondContact O-N 3.08Å
267Q86.7Confident85.5Confident137 Ų13776.6 Ų76.664%0.6441%0.411SS*.Hα-helixtrans-56.7-35.4175.5-168.1-164.53100112.4V265 Q270 V271V265-Q267 HydrophobicContact CG1-CB 4.01Å; V265-Q267 PolarHBondContact O-N 3.33Å; Q267-Q270 PolarHBondContact O-N 3.1Å; Q267-V271 VanDerWaalsContact O-CG2 3.32Å; Q267-V271 WeakPolarHBondContact O-CG2 3.45Å; Q267-V271 PolarHBondContact O-N 3.34Å
268R86.3Confident85.8Confident133 Ų13369.9 Ų69.950%0.50239%0.391SS..Hα-helixtrans-72.4-37.2176.1-69.2-171.5174.6-158.21111.8F263 Y264 V265 L266 H272F263-R268 HydrophobicContact CB-CB 4.19Å; F263-R268 HydrophobicContact CD1-CB 3.82Å; F263-R268 HydrophobicContact CG-CB 4.29Å; Y264-R268 PolarHBondContact OH-NH1 3.26Å; Y264-R268 PolarHBondContact OH-NH2 2.82Å; V265-R268 HydrophobicContact CB-CG 4.32Å; V265-R268 WeakPolarHBondContact O-CB 3.22Å; V265-R268 PolarHBondContact O-N 3.18Å; L266-R268 PolarHBondContact O-N 3.27Å; R268-H272 WeakPolarHBondContact O-CB 3.33Å; R268-H272 PolarHBondContact O-N 3.34Å
269L88.7Confident86.2Confident20 Ų2070.5 Ų70.511%0.10537%0.371CS..Hα-helixtrans-61.2-48.8169.3172.660.4000110.7F252 Q253 C254 F263 V265 L266 V271 H272 M273F252-L269 HydrophobicContact CB-CB 4.12Å; F252-L269 HydrophobicContact CB-CD2 3.7Å; Q253-L269 WeakPolarHBondContact O-CD2 3.29Å; C254-L269 HydrophobicContact CB-CD1 3.94Å; F263-L269 HydrophobicContact CB-CB 4.22Å; F263-L269 HydrophobicContact CD2-CB 3.97Å; F263-L269 HydrophobicContact CD2-CD1 3.91Å; F263-L269 HydrophobicContact CE2-CD1 4.16Å; F263-L269 HydrophobicContact CG-CB 4.25Å; V265-L269 PolarHBondContact O-N 2.83Å; L266-L269 HydrophobicContact CD1-CD2 4.4Å; L266-L269 CarbonylContact O-C 3.58Å; L266-L269 WeakPolarHBondContact O-CA 3.46Å; L266-L269 WeakPolarHBondContact O-CB 3.48Å; L266-L269 PolarHBondContact O-N 3.11Å; L269-V271 PolarHBondContact O-N 2.97Å; L269-H272 CarbonylContact O-C 3.46Å; L269-H272 WeakPolarHBondContact O-CA 3.42Å; L269-H272 WeakPolarHBondContact O-CB 3.41Å; L269-H272 PolarHBondContact O-N 3.4Å; L269-M273 HydrophobicContact CD1-CG 4.11Å; L269-M273 HydrophobicContact CD1-SD 3.9Å; L269-M273 HydrophobicContact CG-CG 4.34Å; L269-M273 WeakPolarHBondContact O-CG 3.35Å; L269-M273 PolarHBondContact O-N 3.45Å
270Q88.2Confident86.4Confident107 Ų10775 Ų7550%0.539%0.388SS..Hα-helixtrans-57.7-45178.2-71.7174.6-29.200112.4L266 Q267 H272 M273 R274L266-Q270 HydrophobicContact CG-CG 4.49Å; L266-Q270 PolarHBondContact O-N 3.08Å; Q267-Q270 PolarHBondContact O-N 3.1Å; Q270-H272 VanDerWaalsContact C-N 3.27Å; Q270-H272 PolarHBondContact O-N 3.45Å; Q270-M273 PolarHBondContact O-N 3.21Å; Q270-R274 PolarHBondContact O-N 3.3Å
271V89.2Confident86.9Confident43 Ų4375.7 Ų75.726%0.26138%0.381SS..Hα-helixtrans-64.1-32.5174170.40000111.8Q267 L269 R274 T295Q267-V271 VanDerWaalsContact O-CG2 3.32Å; Q267-V271 WeakPolarHBondContact O-CG2 3.45Å; Q267-V271 PolarHBondContact O-N 3.34Å; L269-V271 PolarHBondContact O-N 2.97Å; V271-R274 WeakPolarHBondContact O-CB 3.19Å; V271-T295 HydrophobicContact CG1-CG2 3.55Å
272H90Very high87.4Confident17 Ų1773.4 Ų73.48%0.07937%0.372CS..Hα-helixtrans-72.3-37172.5169.745.9000112.8C254 C259 F263 R268 L269 Q270 R274 T275 H276C254-H272 PolarHBondContact SG-NE2 3.48Å; C254-H272 VanDerWaalsContact SG-NE2 3.45Å; C259-H272 PolarHBondContact SG-NE2 3.29Å; F263-H272 HydrophobicContact CE1-CB 3.97Å; F263-H272 HydrophobicContact CE2-CB 3.87Å; F263-H272 AromaticContact CE2-CD2 3.18Å; F263-H272 WeakPolarHBondContact CE2-CD2 3.44Å; F263-H272 AromaticContact CE2-CG 3.67Å; F263-H272 HydrophobicContact CZ-CB 3.45Å; F263-H272 VanDerWaalsContact CZ-CB 3.45Å; F263-H272 AromaticContact CZ-CD2 3.35Å; F263-H272 WeakPolarHBondContact CZ-CD2 3.3Å; F263-H272 AromaticContact CZ-CG 3.34Å; R268-H272 WeakPolarHBondContact O-CB 3.33Å; R268-H272 PolarHBondContact O-N 3.34Å; L269-H272 CarbonylContact O-C 3.46Å; L269-H272 WeakPolarHBondContact O-CA 3.42Å; L269-H272 WeakPolarHBondContact O-CB 3.41Å; L269-H272 PolarHBondContact O-N 3.4Å; Q270-H272 VanDerWaalsContact C-N 3.27Å; Q270-H272 PolarHBondContact O-N 3.45Å; H272-R274 PolarHBondContact O-N 3.36Å; H272-R274 VanDerWaalsContact O-N 3.08Å; H272-T275 PolarHBondContact CE1-OG1 3.22Å; H272-T275 PolarHBondContact ND1-OG1 2.9Å; H272-T275 VanDerWaalsContact ND1-OG1 3.11Å; H272-T275 WeakPolarHBondContact O-CB 3.41Å; H272-T275 PolarHBondContact O-N 2.77Å; H272-T275 PolarHBondContact O-OG1 3.16Å; H272-H276 AromaticContact CD2-NE2 3.55Å; H272-H276 AromaticContact CE1-CD2 3.9Å; H272-H276 AromaticContact CE1-NE2 2.84Å; H272-H276 PolarHBondContact CE1-NE2 2.96Å; H272-H276 AromaticContact ND1-NE2 3.96Å; H272-H276 AromaticContact NE2-CD2 3.92Å; H272-H276 AromaticContact NE2-NE2 2.48Å; H272-H276 PolarHBondContact NE2-NE2 3.27Å
273M89.7Confident87.9Confident54 Ų5474.4 Ų74.427%0.26637%0.372SS..Hα-helixtrans-57.5-27.3175.3-64.9-52.9-70.100112C254 L269 Q270 T275 H276 N277C254-M273 PolarHBondContact SG-SD 3.18Å; L269-M273 HydrophobicContact CD1-CG 4.11Å; L269-M273 HydrophobicContact CD1-SD 3.9Å; L269-M273 HydrophobicContact CG-CG 4.34Å; L269-M273 WeakPolarHBondContact O-CG 3.35Å; L269-M273 PolarHBondContact O-N 3.45Å; Q270-M273 PolarHBondContact O-N 3.21Å; M273-T275 PolarHBondContact O-N 2.83Å; M273-T275 VanDerWaalsContact O-N 3.13Å; M273-H276 PolarHBondContact O-N 2.91Å; M273-N277 PolarHBondContact O-N 3.21Å; M273-N277 VanDerWaalsContact O-N 3.15Å; M273-N277 PolarHBondContact O-OD1 3.2Å
274R91.6Very high88.5Confident55 Ų5572.5 Ų72.521%0.20836%0.364CS..THydrogen-bonded Turntrans-58.5-20.4170.8-59.2-173.6-174.3144.98114.9Q270 V271 H272 N277 G278 E279 T294Q270-R274 PolarHBondContact O-N 3.3Å; V271-R274 WeakPolarHBondContact O-CB 3.19Å; H272-R274 PolarHBondContact O-N 3.36Å; H272-R274 VanDerWaalsContact O-N 3.08Å; R274-N277 WeakPolarHBondContact CA-OD1 3.31Å; R274-N277 PolarHBondContact O-OD1 3.07Å; R274-G278 CarbonylContact O-C 3.58Å; R274-G278 WeakPolarHBondContact O-CA 3.39Å; R274-G278 PolarHBondContact O-N 3.43Å; R274-E279 HydrophobicContact CB-CB 4.25Å; R274-E279 HydrophobicContact CG-CB 4.06Å; R274-E279 PolarHBondContact O-N 2.81Å; R274-T294 HydrophobicContact CB-CG2 4.25Å; R274-T294 PolarHBondContact NH1-O 2.91Å
275T89.6Confident89.2Confident87 Ų8778.5 Ų78.553%0.53439%0.392SS..THydrogen-bonded Turntrans-81.4-16.9174.569.90000113.1H272 M273H272-T275 PolarHBondContact CE1-OG1 3.22Å; H272-T275 PolarHBondContact ND1-OG1 2.9Å; H272-T275 VanDerWaalsContact ND1-OG1 3.11Å; H272-T275 WeakPolarHBondContact O-CB 3.41Å; H272-T275 PolarHBondContact O-N 2.77Å; H272-T275 PolarHBondContact O-OG1 3.16Å; M273-T275 PolarHBondContact O-N 2.83Å; M273-T275 VanDerWaalsContact O-N 3.13Å
276H88.6Confident89.5Confident92 Ų9278.9 Ų78.943%0.42639%0.39SS..THydrogen-bonded Turntrans-95.6-46.7178.3-64.6-61.2000112.1C254 C259 H272 M273 G278C254-H276 PolarHBondContact SG-NE2 3.2Å; C259-H276 WeakPolarHBondContact CB-CE1 3.21Å; C259-H276 WeakPolarHBondContact CB-NE2 3.27Å; C259-H276 PolarHBondContact SG-CE1 3.13Å; C259-H276 PolarHBondContact SG-NE2 3.26Å; H272-H276 AromaticContact CD2-NE2 3.55Å; H272-H276 AromaticContact CE1-CD2 3.9Å; H272-H276 AromaticContact CE1-NE2 2.84Å; H272-H276 PolarHBondContact CE1-NE2 2.96Å; H272-H276 AromaticContact ND1-NE2 3.96Å; H272-H276 AromaticContact NE2-CD2 3.92Å; H272-H276 AromaticContact NE2-NE2 2.48Å; H272-H276 PolarHBondContact NE2-NE2 3.27Å; M273-H276 PolarHBondContact O-N 2.91Å; H276-G278 VanDerWaalsContact C-N 3.32Å
277N87.7Confident89.6Confident85 Ų8584 Ų8446%0.45541%0.409SS..SBendtrans-82.2-7.4177.66713.1000113.6M273 R274 E279M273-N277 PolarHBondContact O-N 3.21Å; M273-N277 VanDerWaalsContact O-N 3.15Å; M273-N277 PolarHBondContact O-OD1 3.2Å; R274-N277 WeakPolarHBondContact CA-OD1 3.31Å; R274-N277 PolarHBondContact O-OD1 3.07Å; N277-E279 VanDerWaalsContact C-N 3.28Å; N277-E279 WeakPolarHBondContact ND2-CG 3.4Å; N277-E279 PolarHBondContact ND2-OE1 3.26Å; N277-E279 VanDerWaalsContact ND2-OE1 3.09Å; N277-E279 PolarHBondContact ND2-OE2 2.9Å; N277-E279 VanDerWaalsContact ND2-OE2 3.09Å; N277-E279 PolarHBondContact O-N 2.91Å; N277-E279 VanDerWaalsContact OD1-CB 3.25Å; N277-E279 WeakPolarHBondContact OD1-CB 3.36Å; N277-E279 WeakPolarHBondContact OD1-CG 3.39Å; N277-E279 PolarHBondContact OD1-N 3.11Å
278G88Confident89.6Confident45 Ų4585.3 Ų85.346%0.46442%0.42SS..  trans75.16.4-179.800000115.7R274 H276 K280R274-G278 CarbonylContact O-C 3.58Å; R274-G278 WeakPolarHBondContact O-CA 3.39Å; R274-G278 PolarHBondContact O-N 3.43Å; H276-G278 VanDerWaalsContact C-N 3.32Å; G278-K280 PolarHBondContact O-N 3.49Å
279E90Very high89.9Confident101 Ų10179.9 Ų79.947%0.47240%0.403SS..  trans-58.7123.8-177.8-80.3172.3-177.400112.6R274 N277R274-E279 HydrophobicContact CB-CB 4.25Å; R274-E279 HydrophobicContact CG-CB 4.06Å; R274-E279 PolarHBondContact O-N 2.81Å; N277-E279 VanDerWaalsContact C-N 3.28Å; N277-E279 WeakPolarHBondContact ND2-CG 3.4Å; N277-E279 PolarHBondContact ND2-OE1 3.26Å; N277-E279 VanDerWaalsContact ND2-OE1 3.09Å; N277-E279 PolarHBondContact ND2-OE2 2.9Å; N277-E279 VanDerWaalsContact ND2-OE2 3.09Å; N277-E279 PolarHBondContact O-N 2.91Å; N277-E279 VanDerWaalsContact OD1-CB 3.25Å; N277-E279 WeakPolarHBondContact OD1-CB 3.36Å; N277-E279 WeakPolarHBondContact OD1-CG 3.39Å; N277-E279 PolarHBondContact OD1-N 3.11Å
280K90.8Very high89.9Confident114 Ų11481.1 Ų81.150%0.49642%0.42SS..  trans-128.577177.1-68.9167.9-172.2176.20110.1G278 F282 K292 F293 T294G278-K280 PolarHBondContact O-N 3.49Å; K280-F282 PolarHBondContact O-N 3.14Å; K280-K292 HydrophobicContact CB-CB 3.52Å; K280-K292 HydrophobicContact CD-CB 4.23Å; K280-K292 HydrophobicContact CG-CB 4.47Å; K280-F293 CarbonylContact C-O 3.15Å; K280-F293 VanDerWaalsContact CA-O 3.25Å; K280-F293 WeakPolarHBondContact CA-O 3.23Å; K280-T294 HydrophobicContact CG-CG2 3.97Å
281P90Very high90Very high73 Ų7381.8 Ų81.847%0.47442%0.421SS..  trans-66.7-23-172.7-2133.8000114.1
282F92.6Very high90.2Very high67 Ų6785.7 Ų85.729%0.29444%0.435SS..EExtended strand (participates in β ladder)trans-96.1104.1-171.2-58.1-81.3000110.3K280 K292 F293 T295 A296 L299K280-F282 PolarHBondContact O-N 3.14Å; F282-K292 CarbonylContact O-C 3.6Å; F282-K292 WeakPolarHBondContact O-CA 3.5Å; F282-F293 HydrophobicContact CB-CB 4.23Å; F282-F293 PolarHBondContact N-O 3.27Å; F282-F293 VanDerWaalsContact N-O 3.11Å; F282-F293 PolarHBondContact O-N 3Å; F282-T295 VanDerWaalsContact CD2-CA 3.47Å; F282-A296 HydrophobicContact CD1-CB 3.86Å; F282-A296 HydrophobicContact CE1-CB 3.69Å; F282-A296 HydrophobicContact CG-CB 4.48Å; F282-A296 HydrophobicContact CZ-CB 4.17Å; F282-L299 HydrophobicContact CB-CB 4.09Å; F282-L299 HydrophobicContact CB-CD2 3.91Å
283I93Very high90.3Very high78 Ų7886.9 Ų86.940%0.444%0.44SS..EExtended strand (participates in β ladder)trans-100.9135.3-175.3-50.1-176.9000110.5K285 K292I283-K285 PolarHBondContact O-N 3.39Å; I283-K292 HydrophobicContact CD1-CD 4.16Å; I283-K292 HydrophobicContact CD1-CG 4.44Å; I283-K292 HydrophobicContact CG1-CD 4.18Å; I283-K292 HydrophobicContact CG1-CG 4.01Å; I283-K292 HydrophobicContact CG2-CG 4.33Å
284C94.8Very high90.4Very high4 Ų485.8 Ų85.83%0.02744%0.436CS..  trans-73.7112.1170.6-1690000110.1E286 C289 G290 K291 F293 L299 H306C284-E286 VanDerWaalsContact C-N 3.28Å; C284-E286 VanDerWaalsContact SG-CG 3.51Å; C284-C289 HydrophobicContact CB-CB 4.37Å; C284-G290 PolarHBondContact O-N 3.1Å; C284-K291 HydrophobicContact CB-CB 4.48Å; C284-K291 WeakPolarHBondContact CB-O 3.49Å; C284-K291 PolarHBondContact N-O 3.43Å; C284-F293 HydrophobicContact CB-CE2 4.37Å; C284-L299 HydrophobicContact CB-CD1 3.77Å; C284-H306 PolarHBondContact SG-NE2 3.4Å
285K91.6Very high90.4Very high206 Ų20684.7 Ų84.790%0.89644%0.436SS*.  trans-81.8-0.5178.9-61.5-171.6177.8-173.70114I283I283-K285 PolarHBondContact O-N 3.39Å
286E89.4Confident90.4Very high57 Ų5783.1 Ų83.127%0.26643%0.432SS..SBendtrans-65.2140.8178.4-54.3-64.4166.400110.6C284 N288 C289 R303 H306C284-E286 VanDerWaalsContact C-N 3.28Å; C284-E286 VanDerWaalsContact SG-CG 3.51Å; E286-N288 PolarHBondContact O-N 3.46Å; E286-C289 HydrophobicContact CB-CB 4.18Å; E286-C289 WeakPolarHBondContact O-CB 3.22Å; E286-C289 PolarHBondContact O-N 3.49Å; E286-R303 IonicContact OE1-CZ 3.81Å; E286-R303 VanDerWaalsContact OE1-CZ 3.31Å; E286-R303 IonicContact OE1-NE 3.05Å; E286-R303 PolarHBondContact OE1-NE 2.83Å; E286-R303 IonicContact OE1-NH2 2.99Å; E286-R303 PolarHBondContact OE1-NH2 3.32Å; E286-H306 HydrophobicContact CG-CB 4.26Å
287K85.9Confident90.5Very high190 Ų19080.7 Ų80.783%0.82643%0.431SS*.THydrogen-bonded Turntrans-55.5134.5-175.5-169.9174.6-178.9179.40110.7C289K287-C289 PolarHBondContact O-N 3.34Å; K287-C289 VanDerWaalsContact O-N 3.17Å
288N86.2Confident90.6Very high163 Ų16380.5 Ų80.587%0.87243%0.43SS*.THydrogen-bonded Turntrans61.112-177.3-55.3-3.7000116E286E286-N288 PolarHBondContact O-N 3.46Å
289C91.6Very high90.8Very high20 Ų2079.7 Ų79.714%0.13542%0.415CS..THydrogen-bonded Turntrans-95-64.4178.9-173.80000114.2C284 E286 K287 K291 H302 H306C284-C289 HydrophobicContact CB-CB 4.37Å; E286-C289 HydrophobicContact CB-CB 4.18Å; E286-C289 WeakPolarHBondContact O-CB 3.22Å; E286-C289 PolarHBondContact O-N 3.49Å; K287-C289 PolarHBondContact O-N 3.34Å; K287-C289 VanDerWaalsContact O-N 3.17Å; C289-K291 PolarHBondContact O-N 2.97Å; C289-H302 PolarHBondContact SG-NE2 3.11Å; C289-H306 WeakPolarHBondContact CB-CE1 3.49Å; C289-H306 WeakPolarHBondContact CB-NE2 3.5Å; C289-H306 PolarHBondContact SG-CE1 3.44Å; C289-H306 PolarHBondContact SG-NE2 2.93Å
290G89Confident90.9Very high46 Ų4681.8 Ų81.847%0.47442%0.422SS..  trans61.2-0.4179.900000117.3C284C284-G290 PolarHBondContact O-N 3.1Å
291K91.6Very high90.9Very high120 Ų12079.1 Ų79.152%0.52241%0.413SS..  trans-63.4135.5-173.4-70.7174.7-176172.40111.8C284 C289 F293C284-K291 HydrophobicContact CB-CB 4.48Å; C284-K291 WeakPolarHBondContact CB-O 3.49Å; C284-K291 PolarHBondContact N-O 3.43Å; C289-K291 PolarHBondContact O-N 2.97Å; K291-F293 HydrophobicContact CB-CE2 3.78Å; K291-F293 HydrophobicContact CB-CZ 3.92Å; K291-F293 WeakPolarHBondContact O-CE2 3.36Å
292K93.2Very high91Very high126 Ų12676.3 Ų76.355%0.54839%0.394SS..EExtended strand (participates in β ladder)trans-107.9142-176.6-46.7-169-179.4179.70111.9K280 F282 I283K280-K292 HydrophobicContact CB-CB 3.52Å; K280-K292 HydrophobicContact CD-CB 4.23Å; K280-K292 HydrophobicContact CG-CB 4.47Å; F282-K292 CarbonylContact O-C 3.6Å; F282-K292 WeakPolarHBondContact O-CA 3.5Å; I283-K292 HydrophobicContact CD1-CD 4.16Å; I283-K292 HydrophobicContact CD1-CG 4.44Å; I283-K292 HydrophobicContact CG1-CD 4.18Å; I283-K292 HydrophobicContact CG1-CG 4.01Å; I283-K292 HydrophobicContact CG2-CG 4.33Å
293F92.3Very high90.9Very high42 Ų4279 Ų7918%0.18440%0.402CS..EExtended strand (participates in β ladder)trans-130.1151.2-174.9-59.6-87.9000112.1K280 F282 C284 K291 N298 L299 H302K280-F293 CarbonylContact C-O 3.15Å; K280-F293 VanDerWaalsContact CA-O 3.25Å; K280-F293 WeakPolarHBondContact CA-O 3.23Å; F282-F293 HydrophobicContact CB-CB 4.23Å; F282-F293 PolarHBondContact N-O 3.27Å; F282-F293 VanDerWaalsContact N-O 3.11Å; F282-F293 PolarHBondContact O-N 3Å; C284-F293 HydrophobicContact CB-CE2 4.37Å; K291-F293 HydrophobicContact CB-CE2 3.78Å; K291-F293 HydrophobicContact CB-CZ 3.92Å; K291-F293 WeakPolarHBondContact O-CE2 3.36Å; F293-N298 HydrophobicContact CB-CB 4.25Å; F293-N298 HydrophobicContact CD1-CB 3.97Å; F293-N298 HydrophobicContact CG-CB 4.41Å; F293-L299 HydrophobicContact CB-CB 4.3Å; F293-L299 HydrophobicContact CD2-CB 3.99Å; F293-L299 HydrophobicContact CD2-CD1 3.83Å; F293-L299 HydrophobicContact CD2-CG 4.49Å; F293-L299 HydrophobicContact CE2-CD1 4.03Å; F293-L299 HydrophobicContact CG-CB 4.26Å; F293-H302 HydrophobicContact CE1-CB 3.82Å; F293-H302 HydrophobicContact CE2-CB 3.96Å; F293-H302 AromaticContact CE2-CD2 3.31Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.36Å; F293-H302 AromaticContact CE2-CG 3.67Å; F293-H302 HydrophobicContact CZ-CB 3.44Å; F293-H302 VanDerWaalsContact CZ-CB 3.44Å; F293-H302 AromaticContact CZ-CD2 3.3Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.48Å; F293-H302 AromaticContact CZ-CG 3.18Å; F293-H302 AromaticContact CZ-ND1 3.82Å; F293-H302 AromaticContact CZ-NE2 3.98Å
294T90.9Very high90.8Very high30 Ų3077 Ų7718%0.18439%0.39CS..SBendtrans-78.6-19.617953.80000113.5R274 K280R274-T294 HydrophobicContact CB-CG2 4.25Å; R274-T294 PolarHBondContact NH1-O 2.91Å; K280-T294 HydrophobicContact CG-CG2 3.97Å
295T91Very high90.6Very high33 Ų3382.6 Ų82.620%0.20242%0.418CS..SBendtrans-139.5149.8-179.168.80000112.4V271 F282 G297 N298 L299V271-T295 HydrophobicContact CG1-CG2 3.55Å; F282-T295 VanDerWaalsContact CD2-CA 3.47Å; T295-G297 VanDerWaalsContact C-N 3.31Å; T295-G297 PolarHBondContact O-N 3.45Å; T295-N298 PolarHBondContact O-N 3.44Å; T295-N298 WeakPolarHBondContact OG1-CB 3.45Å; T295-N298 PolarHBondContact OG1-N 2.98Å; T295-N298 PolarHBondContact OG1-ND2 2.87Å; T295-N298 PolarHBondContact OG1-OD1 3.37Å; T295-L299 PolarHBondContact O-N 2.88Å
296A90.3Very high90.5Very high54 Ų5476.9 Ų76.945%0.44639%0.394SS..Hα-helixtrans-61.2-36.9174.900000112.8F282 N298 L299 K300F282-A296 HydrophobicContact CD1-CB 3.86Å; F282-A296 HydrophobicContact CE1-CB 3.69Å; F282-A296 HydrophobicContact CG-CB 4.48Å; F282-A296 HydrophobicContact CZ-CB 4.17Å; A296-N298 VanDerWaalsContact C-N 3.35Å; A296-N298 PolarHBondContact O-N 3.45Å; A296-L299 PolarHBondContact O-N 3.36Å; A296-K300 PolarHBondContact O-N 3.04Å
297G89.6Confident90.5Very high40 Ų4077.6 Ų77.641%0.41240%0.403SS..Hα-helixtrans-62.3-39.917700000112.9T295 K300 N301T295-G297 VanDerWaalsContact C-N 3.31Å; T295-G297 PolarHBondContact O-N 3.45Å; G297-K300 PolarHBondContact O-N 2.95Å; G297-N301 PolarHBondContact O-N 2.88Å
298N90.8Very high90.6Very high81 Ų8170.9 Ų70.943%0.43339%0.388SS..Hα-helixtrans-67.7-39.2176-69.14.4000111.3F293 T295 A296 H302F293-N298 HydrophobicContact CB-CB 4.25Å; F293-N298 HydrophobicContact CD1-CB 3.97Å; F293-N298 HydrophobicContact CG-CB 4.41Å; T295-N298 PolarHBondContact O-N 3.44Å; T295-N298 WeakPolarHBondContact OG1-CB 3.45Å; T295-N298 PolarHBondContact OG1-N 2.98Å; T295-N298 PolarHBondContact OG1-ND2 2.87Å; T295-N298 PolarHBondContact OG1-OD1 3.37Å; A296-N298 VanDerWaalsContact C-N 3.35Å; A296-N298 PolarHBondContact O-N 3.45Å; N298-H302 VanDerWaalsContact O-CB 3.29Å; N298-H302 WeakPolarHBondContact O-CB 3.42Å; N298-H302 PolarHBondContact O-N 2.48Å
299L93.1Very high90.8Very high28 Ų2868 Ų6815%0.14737%0.369CS..Hα-helixtrans-62.4-44.6171.9173.859.9000111.7F282 C284 F293 T295 A296 N301 H302 R303F282-L299 HydrophobicContact CB-CB 4.09Å; F282-L299 HydrophobicContact CB-CD2 3.91Å; C284-L299 HydrophobicContact CB-CD1 3.77Å; F293-L299 HydrophobicContact CB-CB 4.3Å; F293-L299 HydrophobicContact CD2-CB 3.99Å; F293-L299 HydrophobicContact CD2-CD1 3.83Å; F293-L299 HydrophobicContact CD2-CG 4.49Å; F293-L299 HydrophobicContact CE2-CD1 4.03Å; F293-L299 HydrophobicContact CG-CB 4.26Å; T295-L299 PolarHBondContact O-N 2.88Å; A296-L299 PolarHBondContact O-N 3.36Å; L299-N301 PolarHBondContact O-N 2.81Å; L299-H302 WeakPolarHBondContact O-CB 3.32Å; L299-H302 PolarHBondContact O-N 3.45Å; L299-R303 HydrophobicContact CD1-CG 4.21Å; L299-R303 WeakPolarHBondContact O-CG 3.37Å; L299-R303 PolarHBondContact O-N 2.8Å
300K91.1Very high90.8Very high145 Ų14572.6 Ų72.663%0.6339%0.387SS*.Hα-helixtrans-60.2-46.5177.6-174.9173.6-177.5172.50111.7A296 G297 H302 R303A296-K300 PolarHBondContact O-N 3.04Å; G297-K300 PolarHBondContact O-N 2.95Å; K300-H302 VanDerWaalsContact C-N 3.33Å; K300-H302 PolarHBondContact O-N 2.84Å; K300-R303 PolarHBondContact O-N 3.13Å
301N90Very high90.8Very high58 Ų5873.6 Ų73.631%0.3139%0.385SS..Hα-helixtrans-64.3-37.8175.3-73.9-12.5000111.8G297 L299 R304G297-N301 PolarHBondContact O-N 2.88Å; L299-N301 PolarHBondContact O-N 2.81Å; N301-R304 WeakPolarHBondContact O-CB 2.98Å; N301-R304 PolarHBondContact O-N 3.49Å; N301-R304 PolarHBondContact OD1-NH1 3.33Å; N301-R304 VanDerWaalsContact OD1-NH1 3.11Å
302H92.1Very high90.9Very high15 Ų1570.7 Ų70.77%0.06937%0.372CS..Hα-helixtrans-64.2-39.3175.4170.857.3000112.9C289 F293 N298 L299 K300 R304 I305 H306C289-H302 PolarHBondContact SG-NE2 3.11Å; F293-H302 HydrophobicContact CE1-CB 3.82Å; F293-H302 HydrophobicContact CE2-CB 3.96Å; F293-H302 AromaticContact CE2-CD2 3.31Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.36Å; F293-H302 AromaticContact CE2-CG 3.67Å; F293-H302 HydrophobicContact CZ-CB 3.44Å; F293-H302 VanDerWaalsContact CZ-CB 3.44Å; F293-H302 AromaticContact CZ-CD2 3.3Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.48Å; F293-H302 AromaticContact CZ-CG 3.18Å; F293-H302 AromaticContact CZ-ND1 3.82Å; F293-H302 AromaticContact CZ-NE2 3.98Å; N298-H302 VanDerWaalsContact O-CB 3.29Å; N298-H302 WeakPolarHBondContact O-CB 3.42Å; N298-H302 PolarHBondContact O-N 2.48Å; L299-H302 WeakPolarHBondContact O-CB 3.32Å; L299-H302 PolarHBondContact O-N 3.45Å; K300-H302 VanDerWaalsContact C-N 3.33Å; K300-H302 PolarHBondContact O-N 2.84Å; H302-R304 PolarHBondContact O-N 2.8Å; H302-R304 VanDerWaalsContact O-N 3.16Å; H302-I305 VanDerWaalsContact O-CB 3.29Å; H302-I305 WeakPolarHBondContact O-CB 3.46Å; H302-I305 PolarHBondContact O-N 2.94Å; H302-H306 AromaticContact CD2-NE2 3.27Å; H302-H306 PolarHBondContact CD2-NE2 3.08Å; H302-H306 VanDerWaalsContact CD2-NE2 3.27Å; H302-H306 AromaticContact CE1-NE2 2.8Å; H302-H306 PolarHBondContact CE1-NE2 3.36Å; H302-H306 AromaticContact ND1-NE2 3.9Å; H302-H306 AromaticContact NE2-CD2 3.9Å; H302-H306 AromaticContact NE2-NE2 2.25Å; H302-H306 PolarHBondContact NE2-NE2 2.93Å
303R91.1Very high90.9Very high123 Ų12369.8 Ų69.846%0.46437%0.373SS..Hα-helixtrans-58.1-28.6179.1-74.7-174.974-146.4-2113.3E286 L299 K300 I305 H306 T307E286-R303 IonicContact OE1-CZ 3.81Å; E286-R303 VanDerWaalsContact OE1-CZ 3.31Å; E286-R303 IonicContact OE1-NE 3.05Å; E286-R303 PolarHBondContact OE1-NE 2.83Å; E286-R303 IonicContact OE1-NH2 2.99Å; E286-R303 PolarHBondContact OE1-NH2 3.32Å; L299-R303 HydrophobicContact CD1-CG 4.21Å; L299-R303 WeakPolarHBondContact O-CG 3.37Å; L299-R303 PolarHBondContact O-N 2.8Å; K300-R303 PolarHBondContact O-N 3.13Å; R303-I305 PolarHBondContact O-N 2.97Å; R303-I305 VanDerWaalsContact O-N 3.16Å; R303-H306 WeakPolarHBondContact O-CB 3.44Å; R303-H306 PolarHBondContact O-N 3.41Å; R303-T307 PolarHBondContact O-N 3.43Å; R303-T307 VanDerWaalsContact O-N 3.12Å
304R92.1Very high91Very high35 Ų3568.2 Ų68.213%0.13237%0.367CS..Hα-helixtrans-61-20.1173.1-63-171.6175.5130.63.9114.5N301 H302 H306 G308 E309 A324N301-R304 WeakPolarHBondContact O-CB 2.98Å; N301-R304 PolarHBondContact O-N 3.49Å; N301-R304 PolarHBondContact OD1-NH1 3.33Å; N301-R304 VanDerWaalsContact OD1-NH1 3.11Å; H302-R304 PolarHBondContact O-N 2.8Å; H302-R304 VanDerWaalsContact O-N 3.16Å; R304-H306 VanDerWaalsContact C-N 3.3Å; R304-G308 CarbonylContact O-C 3.55Å; R304-G308 WeakPolarHBondContact O-CA 3.39Å; R304-G308 PolarHBondContact O-N 3.32Å; R304-E309 HydrophobicContact CB-CB 4.13Å; R304-E309 HydrophobicContact CG-CB 3.9Å; R304-E309 IonicContact NE-OE2 2.73Å; R304-E309 PolarHBondContact O-N 3.34Å; R304-A324 HydrophobicContact CB-CB 4.05Å; R304-A324 VanDerWaalsContact CD-O 3.28Å; R304-A324 WeakPolarHBondContact CD-O 3.36Å; R304-A324 PolarHBondContact NH1-O 2.97Å
305I89.4Confident91Very high123 Ų12375.5 Ų75.563%0.63140%0.399SS*.Hα-helixtrans-70.5-30.8173-62.1163.9000110.6H302 R303H302-I305 VanDerWaalsContact O-CB 3.29Å; H302-I305 WeakPolarHBondContact O-CB 3.46Å; H302-I305 PolarHBondContact O-N 2.94Å; R303-I305 PolarHBondContact O-N 2.97Å; R303-I305 VanDerWaalsContact O-N 3.16Å
306H89.9Confident90.9Very high85 Ų8575.1 Ų75.139%0.39440%0.399SS..Hα-helixtrans-84.1-41.3177.2-58.4-67.6000112.1C284 E286 C289 H302 R303 R304 G308C284-H306 PolarHBondContact SG-NE2 3.4Å; E286-H306 HydrophobicContact CG-CB 4.26Å; C289-H306 WeakPolarHBondContact CB-CE1 3.49Å; C289-H306 WeakPolarHBondContact CB-NE2 3.5Å; C289-H306 PolarHBondContact SG-CE1 3.44Å; C289-H306 PolarHBondContact SG-NE2 2.93Å; H302-H306 AromaticContact CD2-NE2 3.27Å; H302-H306 PolarHBondContact CD2-NE2 3.08Å; H302-H306 VanDerWaalsContact CD2-NE2 3.27Å; H302-H306 AromaticContact CE1-NE2 2.8Å; H302-H306 PolarHBondContact CE1-NE2 3.36Å; H302-H306 AromaticContact ND1-NE2 3.9Å; H302-H306 AromaticContact NE2-CD2 3.9Å; H302-H306 AromaticContact NE2-NE2 2.25Å; H302-H306 PolarHBondContact NE2-NE2 2.93Å; R303-H306 WeakPolarHBondContact O-CB 3.44Å; R303-H306 PolarHBondContact O-N 3.41Å; R304-H306 VanDerWaalsContact C-N 3.3Å; H306-G308 VanDerWaalsContact C-N 3.34Å
307T88.5Confident90.8Very high73 Ų7380.5 Ų80.545%0.44842%0.42SS..Hα-helixtrans-80.6-13.4178.763.70000113.9R303 E309R303-T307 PolarHBondContact O-N 3.43Å; R303-T307 VanDerWaalsContact O-N 3.12Å; T307-E309 PolarHBondContact O-N 3.38Å; T307-E309 WeakPolarHBondContact OG1-CB 3.42Å; T307-E309 WeakPolarHBondContact OG1-CG 3.43Å; T307-E309 PolarHBondContact OG1-OE1 3.24Å
308G89Confident90.6Very high49 Ų4983 Ų8351%0.50545%0.447SS..  trans72.52.9-174.600000114.6R304 H306 K310R304-G308 CarbonylContact O-C 3.55Å; R304-G308 WeakPolarHBondContact O-CA 3.39Å; R304-G308 PolarHBondContact O-N 3.32Å; H306-G308 VanDerWaalsContact C-N 3.34Å; G308-K310 PolarHBondContact O-N 2.92Å
309E91.3Very high90.7Very high103 Ų10380.2 Ų80.248%0.48143%0.433SS..  trans-56.2123-178.5-86.6172.4-131.300113.1R304 T307 P311R304-E309 HydrophobicContact CB-CB 4.13Å; R304-E309 HydrophobicContact CG-CB 3.9Å; R304-E309 IonicContact NE-OE2 2.73Å; R304-E309 PolarHBondContact O-N 3.34Å; T307-E309 PolarHBondContact O-N 3.38Å; T307-E309 WeakPolarHBondContact OG1-CB 3.42Å; T307-E309 WeakPolarHBondContact OG1-CG 3.43Å; T307-E309 PolarHBondContact OG1-OE1 3.24Å; E309-P311 WeakPolarHBondContact O-CD 3.39Å
310K90.4Very high90.4Very high116 Ų11681.9 Ų81.950%0.50446%0.457SS..  trans-126.670.6177.4-70.1170-178.3-173.40110.9G308 F312 S322 F323G308-K310 PolarHBondContact O-N 2.92Å; K310-F312 PolarHBondContact O-N 3.04Å; K310-S322 WeakPolarHBondContact CB-OG 3.41Å; K310-S322 WeakPolarHBondContact CD-O 3.46Å; K310-S322 WeakPolarHBondContact CD-OG 3.41Å; K310-F323 CarbonylContact C-O 3.59Å; K310-F323 VanDerWaalsContact C-O 3.28Å; K310-F323 VanDerWaalsContact CA-O 3.29Å; K310-F323 WeakPolarHBondContact CA-O 3.47Å
311P89.9Confident90.4Very high66 Ų6682.4 Ų82.443%0.42946%0.455SS..  trans-71.5-9.3-172.629.9-36.2000114.2E309E309-P311 WeakPolarHBondContact O-CD 3.39Å
312F92.8Very high90.4Very high60 Ų6081.6 Ų81.626%0.26345%0.453SS..EExtended strand (participates in β ladder)trans-103.596.7-179.5-54.8-71000109.9K310 S322 F323 Y326 L329K310-F312 PolarHBondContact O-N 3.04Å; F312-S322 CarbonylContact O-C 3.28Å; F312-S322 WeakPolarHBondContact O-CA 3.43Å; F312-F323 HydrophobicContact CB-CB 4.37Å; F312-F323 WeakPolarHBondContact CD2-O 3.37Å; F312-F323 PolarHBondContact N-O 2.92Å; F312-F323 VanDerWaalsContact N-O 3.14Å; F312-F323 PolarHBondContact O-N 3.36Å; F312-Y326 HydrophobicContact CD1-CD2 4.02Å; F312-Y326 HydrophobicContact CD1-CG 4.47Å; F312-Y326 HydrophobicContact CE1-CD2 4.34Å; F312-Y326 HydrophobicContact CE1-CG 4.49Å; F312-Y326 VanDerWaalsContact CE2-N 3.35Å; F312-L329 HydrophobicContact CB-CB 4.22Å; F312-L329 HydrophobicContact CB-CD2 3.93Å
313L93.2Very high90.4Very high106 Ų10682.9 Ų82.956%0.55546%0.459SS*.EExtended strand (participates in β ladder)trans-83.6150.1176.8-65.6120.9000111.3L329L313-L329 VanDerWaalsContact O-CD2 3.27Å; L313-L329 WeakPolarHBondContact O-CD2 3.48Å
314C94.1Very high90.3Very high9 Ų978.5 Ų78.56%0.06145%0.449CS..  trans-86.4113168.3-174.80000109A316 C319 R321 F323 L329 H336C314-A316 PolarHBondContact O-N 2.96Å; C314-C319 HydrophobicContact CB-CB 4.42Å; C314-C319 VanDerWaalsContact SG-SG 3.63Å; C314-R321 HydrophobicContact CB-CB 4.43Å; C314-R321 VanDerWaalsContact CB-O 3.24Å; C314-R321 WeakPolarHBondContact CB-O 3.35Å; C314-R321 PolarHBondContact N-O 3.02Å; C314-F323 HydrophobicContact CB-CE2 4.44Å; C314-L329 HydrophobicContact CB-CD1 3.88Å; C314-H336 PolarHBondContact SG-NE2 3.14Å
315E91.1Very high90.2Very high184 Ų18480.7 Ų80.786%0.8646%0.461SS*.  trans-80.45.8179.4-63.5169.9-179.500113
316A89.2Confident90.2Very high24 Ų2480.7 Ų80.720%0.19845%0.454CS..SBendtrans-73130.8174.200000110.5C314 G318 C319 M333C314-A316 PolarHBondContact O-N 2.96Å; A316-G318 PolarHBondContact O-N 3.46Å; A316-C319 HydrophobicContact CB-CB 4.17Å; A316-C319 WeakPolarHBondContact O-CB 3.18Å; A316-C319 PolarHBondContact O-N 3.42Å; A316-M333 HydrophobicContact CB-CE 4.43Å
317D88.7Confident90.2Very high167 Ų16778.6 Ų78.689%0.89345%0.448SS*.THydrogen-bonded Turntrans-53.4133.5-176.7-67.9-49.1000112.3C319D317-C319 PolarHBondContact O-N 3.23Å; D317-C319 VanDerWaalsContact O-N 3.15Å
318G85.9Confident90.3Very high94 Ų9477.2 Ų77.297%0.96944%0.442SS*.THydrogen-bonded Turntrans70.9-2.7-178.400000116.1A316A316-G318 PolarHBondContact O-N 3.46Å
319C91.6Very high90.5Very high21 Ų2175.9 Ų75.914%0.14242%0.423CS..THydrogen-bonded Turntrans-80.2-51.6-178.1-174.60000113.4C314 A316 D317 R321 H332 H336C314-C319 HydrophobicContact CB-CB 4.42Å; C314-C319 VanDerWaalsContact SG-SG 3.63Å; A316-C319 HydrophobicContact CB-CB 4.17Å; A316-C319 WeakPolarHBondContact O-CB 3.18Å; A316-C319 PolarHBondContact O-N 3.42Å; D317-C319 PolarHBondContact O-N 3.23Å; D317-C319 VanDerWaalsContact O-N 3.15Å; C319-R321 PolarHBondContact O-N 3.17Å; C319-H332 PolarHBondContact SG-NE2 3.23Å; C319-H336 WeakPolarHBondContact CB-CE1 3.38Å; C319-H336 WeakPolarHBondContact CB-NE2 3.42Å; C319-H336 PolarHBondContact SG-CE1 3.04Å; C319-H336 PolarHBondContact SG-NE2 2.77Å
320G86.7Confident90.4Very high63 Ų6378.8 Ų78.865%0.64943%0.43SS*.  trans60.72178.800000116.8
321R90.4Very high90.4Very high156 Ų15678.3 Ų78.359%0.58943%0.428SS*.  trans-74.2136.6-175-70.9-179.3175.5-167.5-0.9112C314 C319 F323C314-R321 HydrophobicContact CB-CB 4.43Å; C314-R321 VanDerWaalsContact CB-O 3.24Å; C314-R321 WeakPolarHBondContact CB-O 3.35Å; C314-R321 PolarHBondContact N-O 3.02Å; C319-R321 PolarHBondContact O-N 3.17Å; R321-F323 HydrophobicContact CB-CE2 3.84Å; R321-F323 HydrophobicContact CB-CZ 4.01Å
322S91.8Very high90.5Very high41 Ų4176 Ų7629%0.28741%0.411SS..EExtended strand (participates in β ladder)trans-119.2150.3176.763.10000112.6K310 F312K310-S322 WeakPolarHBondContact CB-OG 3.41Å; K310-S322 WeakPolarHBondContact CD-O 3.46Å; K310-S322 WeakPolarHBondContact CD-OG 3.41Å; F312-S322 CarbonylContact O-C 3.28Å; F312-S322 WeakPolarHBondContact O-CA 3.43Å
323F90.8Very high90.4Very high42 Ų4276.6 Ų76.618%0.18442%0.416CS..EExtended strand (participates in β ladder)trans-132.1144.7-172-59.3-90.4000111.7K310 F312 C314 R321 E325 L329 H332K310-F323 CarbonylContact C-O 3.59Å; K310-F323 VanDerWaalsContact C-O 3.28Å; K310-F323 VanDerWaalsContact CA-O 3.29Å; K310-F323 WeakPolarHBondContact CA-O 3.47Å; F312-F323 HydrophobicContact CB-CB 4.37Å; F312-F323 WeakPolarHBondContact CD2-O 3.37Å; F312-F323 PolarHBondContact N-O 2.92Å; F312-F323 VanDerWaalsContact N-O 3.14Å; F312-F323 PolarHBondContact O-N 3.36Å; C314-F323 HydrophobicContact CB-CE2 4.44Å; R321-F323 HydrophobicContact CB-CE2 3.84Å; R321-F323 HydrophobicContact CB-CZ 4.01Å; F323-E325 VanDerWaalsContact C-N 3.29Å; F323-L329 HydrophobicContact CB-CB 4.36Å; F323-L329 HydrophobicContact CD2-CB 3.97Å; F323-L329 HydrophobicContact CD2-CD1 3.85Å; F323-L329 HydrophobicContact CD2-CG 4.49Å; F323-L329 HydrophobicContact CE2-CD1 3.99Å; F323-L329 HydrophobicContact CG-CB 4.26Å; F323-H332 HydrophobicContact CE1-CB 4.01Å; F323-H332 HydrophobicContact CE2-CB 4.06Å; F323-H332 AromaticContact CE2-CD2 3.32Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.49Å; F323-H332 AromaticContact CE2-CG 3.86Å; F323-H332 HydrophobicContact CZ-CB 3.53Å; F323-H332 AromaticContact CZ-CD2 3.27Å; F323-H332 WeakPolarHBondContact CZ-CD2 3.35Å; F323-H332 AromaticContact CZ-CG 3.36Å
324A89.6Confident90.2Very high31 Ų3173.1 Ų73.126%0.25640%0.397SS..SBendtrans-75.7-16.4175.600000113.5R304R304-A324 HydrophobicContact CB-CB 4.05Å; R304-A324 VanDerWaalsContact CD-O 3.28Å; R304-A324 WeakPolarHBondContact CD-O 3.36Å; R304-A324 PolarHBondContact NH1-O 2.97Å
325E89.9Confident90Very high81 Ų8177.3 Ų77.338%0.37942%0.422SS..SBendtrans-139.1136-178.5-161.5-164.3144.100111.9F323 S327 S328 L329F323-E325 VanDerWaalsContact C-N 3.29Å; E325-S327 VanDerWaalsContact C-N 3.29Å; E325-S327 PolarHBondContact O-N 3.38Å; E325-S327 VanDerWaalsContact OE1-CB 3.23Å; E325-S327 WeakPolarHBondContact OE1-CB 3.35Å; E325-S327 PolarHBondContact OE1-OG 2.87Å; E325-S328 WeakPolarHBondContact O-CB 3.37Å; E325-S328 PolarHBondContact O-N 3.3Å; E325-S328 VanDerWaalsContact O-N 3.1Å; E325-L329 PolarHBondContact O-N 3.47Å
326Y89.5Confident89.8Confident124 Ų12473 Ų7349%0.48640%0.402SS..Hα-helixtrans-60.4-33.1178.6-178.1-105.9000113.5F312 S328 L329 R330F312-Y326 HydrophobicContact CD1-CD2 4.02Å; F312-Y326 HydrophobicContact CD1-CG 4.47Å; F312-Y326 HydrophobicContact CE1-CD2 4.34Å; F312-Y326 HydrophobicContact CE1-CG 4.49Å; F312-Y326 VanDerWaalsContact CE2-N 3.35Å; Y326-S328 VanDerWaalsContact C-N 3.26Å; Y326-S328 PolarHBondContact O-N 2.97Å; Y326-L329 HydrophobicContact CD2-CD2 4.38Å; Y326-L329 PolarHBondContact O-N 2.88Å; Y326-R330 HydrophobicContact CD1-CG 4.18Å; Y326-R330 HydrophobicContact CE1-CG 3.63Å; Y326-R330 HydrophobicContact CE2-CG 4.27Å; Y326-R330 PolarHBondContact O-N 2.93Å
327S88.9Confident89.7Confident40 Ų4074.9 Ų74.928%0.2841%0.414SS..Hα-helixtrans-66.1-3117782.80000112.2E325 K331E325-S327 VanDerWaalsContact C-N 3.29Å; E325-S327 PolarHBondContact O-N 3.38Å; E325-S327 VanDerWaalsContact OE1-CB 3.23Å; E325-S327 WeakPolarHBondContact OE1-CB 3.35Å; E325-S327 PolarHBondContact OE1-OG 2.87Å; S327-K331 VanDerWaalsContact O-CG 3.29Å; S327-K331 WeakPolarHBondContact O-CG 3.19Å; S327-K331 PolarHBondContact O-N 2.82Å; S327-K331 VanDerWaalsContact O-N 3.09Å
328S91.1Very high89.7Confident45 Ų4569.3 Ų69.332%0.31540%0.396SS..Hα-helixtrans-72.3-40.5173.9-62.20000111.5E325 Y326 K331 H332E325-S328 WeakPolarHBondContact O-CB 3.37Å; E325-S328 PolarHBondContact O-N 3.3Å; E325-S328 VanDerWaalsContact O-N 3.1Å; Y326-S328 VanDerWaalsContact C-N 3.26Å; Y326-S328 PolarHBondContact O-N 2.97Å; S328-K331 PolarHBondContact O-N 3.23Å; S328-H332 WeakPolarHBondContact O-CB 3.42Å; S328-H332 PolarHBondContact O-N 3.48Å
329L93.3Very high89.8Confident20 Ų2070.1 Ų70.111%0.10537%0.374CS..Hα-helixtrans-59.2-48.8170.4174.361.1000111.1F312 L313 C314 F323 E325 Y326 K331 H332 M333F312-L329 HydrophobicContact CB-CB 4.22Å; F312-L329 HydrophobicContact CB-CD2 3.93Å; L313-L329 VanDerWaalsContact O-CD2 3.27Å; L313-L329 WeakPolarHBondContact O-CD2 3.48Å; C314-L329 HydrophobicContact CB-CD1 3.88Å; F323-L329 HydrophobicContact CB-CB 4.36Å; F323-L329 HydrophobicContact CD2-CB 3.97Å; F323-L329 HydrophobicContact CD2-CD1 3.85Å; F323-L329 HydrophobicContact CD2-CG 4.49Å; F323-L329 HydrophobicContact CE2-CD1 3.99Å; F323-L329 HydrophobicContact CG-CB 4.26Å; E325-L329 PolarHBondContact O-N 3.47Å; Y326-L329 HydrophobicContact CD2-CD2 4.38Å; Y326-L329 PolarHBondContact O-N 2.88Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 2.93Å; L329-H332 CarbonylContact O-C 3.59Å; L329-H332 WeakPolarHBondContact O-CA 3.25Å; L329-H332 WeakPolarHBondContact O-CB 3.45Å; L329-H332 PolarHBondContact O-N 3.35Å; L329-M333 HydrophobicContact CD1-CG 4.33Å; L329-M333 HydrophobicContact CD1-SD 4.06Å; L329-M333 WeakPolarHBondContact O-CG 3.47Å; L329-M333 PolarHBondContact O-N 3.39Å
330R90.4Very high89.7Confident165 Ų16574.2 Ų74.262%0.62339%0.389SS*.Hα-helixtrans-60.2-39.8178.6-73.6-147.372.6163.83.1113.4Y326 H332 M333Y326-R330 HydrophobicContact CD1-CG 4.18Å; Y326-R330 HydrophobicContact CE1-CG 3.63Å; Y326-R330 HydrophobicContact CE2-CG 4.27Å; Y326-R330 PolarHBondContact O-N 2.93Å; R330-H332 VanDerWaalsContact C-N 3.31Å; R330-M333 PolarHBondContact O-N 3.34Å
331K89.4Confident89.8Confident106 Ų10675 Ų7546%0.46138%0.383SS..Hα-helixtrans-64.9-35.8173-70.7165-172.21660112S327 S328 L329 L334S327-K331 VanDerWaalsContact O-CG 3.29Å; S327-K331 WeakPolarHBondContact O-CG 3.19Å; S327-K331 PolarHBondContact O-N 2.82Å; S327-K331 VanDerWaalsContact O-N 3.09Å; S328-K331 PolarHBondContact O-N 3.23Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 2.93Å; K331-L334 WeakPolarHBondContact O-CB 3.37Å; K331-L334 PolarHBondContact O-N 3.03Å
332H91.7Very high89.8Confident16 Ų1670.4 Ų70.47%0.07437%0.368CS..Hα-helixtrans-68.5-36.2175.8172.947.3000112.5C319 F323 S328 L329 R330 L334 V335 H336C319-H332 PolarHBondContact SG-NE2 3.23Å; F323-H332 HydrophobicContact CE1-CB 4.01Å; F323-H332 HydrophobicContact CE2-CB 4.06Å; F323-H332 AromaticContact CE2-CD2 3.32Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.49Å; F323-H332 AromaticContact CE2-CG 3.86Å; F323-H332 HydrophobicContact CZ-CB 3.53Å; F323-H332 AromaticContact CZ-CD2 3.27Å; F323-H332 WeakPolarHBondContact CZ-CD2 3.35Å; F323-H332 AromaticContact CZ-CG 3.36Å; S328-H332 WeakPolarHBondContact O-CB 3.42Å; S328-H332 PolarHBondContact O-N 3.48Å; L329-H332 CarbonylContact O-C 3.59Å; L329-H332 WeakPolarHBondContact O-CA 3.25Å; L329-H332 WeakPolarHBondContact O-CB 3.45Å; L329-H332 PolarHBondContact O-N 3.35Å; R330-H332 VanDerWaalsContact C-N 3.31Å; H332-L334 PolarHBondContact O-N 2.9Å; H332-L334 VanDerWaalsContact O-N 3.17Å; H332-V335 WeakPolarHBondContact O-CB 3.32Å; H332-V335 WeakPolarHBondContact O-CG2 3.44Å; H332-V335 PolarHBondContact O-N 2.95Å; H332-H336 AromaticContact CD2-NE2 3.34Å; H332-H336 PolarHBondContact CD2-NE2 2.62Å; H332-H336 VanDerWaalsContact CD2-NE2 3.34Å; H332-H336 AromaticContact CE1-NE2 2.9Å; H332-H336 PolarHBondContact CE1-NE2 2.93Å; H332-H336 AromaticContact ND1-NE2 3.95Å; H332-H336 AromaticContact NE2-CD2 3.95Å; H332-H336 AromaticContact NE2-NE2 2.39Å; H332-H336 PolarHBondContact NE2-NE2 3.49Å
333M90.4Very high89.7Confident74 Ų7471.6 Ų71.637%0.36537%0.374SS..Hα-helixtrans-59.1-27.5176.9-64.7-51.8-64.900113.3A316 L329 R330 V335 H336 S337A316-M333 HydrophobicContact CB-CE 4.43Å; L329-M333 HydrophobicContact CD1-CG 4.33Å; L329-M333 HydrophobicContact CD1-SD 4.06Å; L329-M333 WeakPolarHBondContact O-CG 3.47Å; L329-M333 PolarHBondContact O-N 3.39Å; R330-M333 PolarHBondContact O-N 3.34Å; M333-V335 PolarHBondContact O-N 2.56Å; M333-H336 PolarHBondContact O-N 3.24Å; M333-S337 PolarHBondContact O-N 3.15Å; M333-S337 PolarHBondContact O-OG 3.27Å
334L90.5Very high89.8Confident32 Ų3269.7 Ų69.717%0.16837%0.365CS..Hα-helixtrans-61.9-20.5172.8-57.1175000113.3K331 H332 S337 G338 E339 P341 S352K331-L334 WeakPolarHBondContact O-CB 3.37Å; K331-L334 PolarHBondContact O-N 3.03Å; H332-L334 PolarHBondContact O-N 2.9Å; H332-L334 VanDerWaalsContact O-N 3.17Å; L334-S337 WeakPolarHBondContact CA-OG 3.14Å; L334-G338 WeakPolarHBondContact O-CA 3.21Å; L334-G338 PolarHBondContact O-N 2.74Å; L334-G338 VanDerWaalsContact O-N 3.11Å; L334-E339 HydrophobicContact CD2-CB 3.98Å; L334-E339 WeakPolarHBondContact CD2-OE2 3.46Å; L334-E339 PolarHBondContact O-N 3.08Å; L334-P341 HydrophobicContact CD2-CG 4.39Å; L334-S352 VanDerWaalsContact CD1-O 3.28Å; L334-S352 WeakPolarHBondContact CD1-O 3.44Å
335V88.1Confident89.7Confident97 Ų9771.6 Ų71.659%0.58839%0.389SS*.Hα-helixtrans-73.2-33.4173.2-175.70000110.9H332 M333H332-V335 WeakPolarHBondContact O-CB 3.32Å; H332-V335 WeakPolarHBondContact O-CG2 3.44Å; H332-V335 PolarHBondContact O-N 2.95Å; M333-V335 PolarHBondContact O-N 2.56Å
336H88.6Confident89.6Confident94 Ų9471.4 Ų71.444%0.43539%0.389SS..Hα-helixtrans-82.2-38.5178.6-63.1-61.3000112.4C314 C319 H332 M333 G338C314-H336 PolarHBondContact SG-NE2 3.14Å; C319-H336 WeakPolarHBondContact CB-CE1 3.38Å; C319-H336 WeakPolarHBondContact CB-NE2 3.42Å; C319-H336 PolarHBondContact SG-CE1 3.04Å; C319-H336 PolarHBondContact SG-NE2 2.77Å; H332-H336 AromaticContact CD2-NE2 3.34Å; H332-H336 PolarHBondContact CD2-NE2 2.62Å; H332-H336 VanDerWaalsContact CD2-NE2 3.34Å; H332-H336 AromaticContact CE1-NE2 2.9Å; H332-H336 PolarHBondContact CE1-NE2 2.93Å; H332-H336 AromaticContact ND1-NE2 3.95Å; H332-H336 AromaticContact NE2-CD2 3.95Å; H332-H336 AromaticContact NE2-NE2 2.39Å; H332-H336 PolarHBondContact NE2-NE2 3.49Å; M333-H336 PolarHBondContact O-N 3.24Å; H336-G338 VanDerWaalsContact C-N 3.28Å; H336-G338 PolarHBondContact O-N 3.14Å
337S87Confident89.6Confident64 Ų6468 Ų6845%0.44838%0.383SS..Hα-helixtrans-75.5-16.1174.162.30000113.4M333 L334 E339M333-S337 PolarHBondContact O-N 3.15Å; M333-S337 PolarHBondContact O-OG 3.27Å; L334-S337 WeakPolarHBondContact CA-OG 3.14Å; S337-E339 PolarHBondContact O-N 3.12Å; S337-E339 WeakPolarHBondContact OG-CB 3.22Å; S337-E339 VanDerWaalsContact OG-CD 3.3Å; S337-E339 VanDerWaalsContact OG-CG 3.3Å; S337-E339 WeakPolarHBondContact OG-CG 3.13Å; S337-E339 PolarHBondContact OG-N 2.76Å; S337-E339 PolarHBondContact OG-OE2 3.37Å
338G87.8Confident89.6Confident49 Ų4968.3 Ų68.351%0.50539%0.393SS..  trans70.30.9-173.300000114.3L334 H336L334-G338 WeakPolarHBondContact O-CA 3.21Å; L334-G338 PolarHBondContact O-N 2.74Å; L334-G338 VanDerWaalsContact O-N 3.11Å; H336-G338 VanDerWaalsContact C-N 3.28Å; H336-G338 PolarHBondContact O-N 3.14Å
339E88.5Confident89.5Confident111 Ų11171.6 Ų71.652%0.51940%0.401SS..  trans-61.7135.8-177.2-72.1168.9148.200111.7L334 S337L334-E339 HydrophobicContact CD2-CB 3.98Å; L334-E339 WeakPolarHBondContact CD2-OE2 3.46Å; L334-E339 PolarHBondContact O-N 3.08Å; S337-E339 PolarHBondContact O-N 3.12Å; S337-E339 WeakPolarHBondContact OG-CB 3.22Å; S337-E339 VanDerWaalsContact OG-CD 3.3Å; S337-E339 VanDerWaalsContact OG-CG 3.3Å; S337-E339 WeakPolarHBondContact OG-CG 3.13Å; S337-E339 PolarHBondContact OG-N 2.76Å; S337-E339 PolarHBondContact OG-OE2 3.37Å
340K88.5Confident89.4Confident107 Ų10773.2 Ų73.247%0.46541%0.412SS..  trans-127.372.1179.1-68.6174.2-172.1169.30111.1H342 T350 F351K340-H342 PolarHBondContact O-N 3.2Å; K340-T350 WeakPolarHBondContact CD-OG1 3.32Å; K340-F351 CarbonylContact C-O 3.56Å; K340-F351 WeakPolarHBondContact CA-O 3.5Å
341P88.7Confident89.3Confident79 Ų7967.4 Ų67.451%0.51339%0.392SS..  trans-68.1-10.9-167.7-20.234000115.3L334L334-P341 HydrophobicContact CD2-CG 4.39Å
342H90.9Very high89.2Confident60 Ų6064.3 Ų64.328%0.27838%0.383SS..EExtended strand (participates in β ladder)trans-106.7103.6-173.9-58.5-70.5000110.7K340 T350 F351 S354 R357K340-H342 PolarHBondContact O-N 3.2Å; H342-T350 CarbonylContact O-C 3.57Å; H342-F351 HydrophobicContact CB-CB 4.35Å; H342-F351 WeakPolarHBondContact CB-O 3.25Å; H342-F351 PolarHBondContact N-O 3.15Å; H342-F351 WeakPolarHBondContact O-CD2 3.3Å; H342-F351 PolarHBondContact O-N 3.04Å; H342-S354 PolarHBondContact CD2-N 3.32Å; H342-S354 PolarHBondContact NE2-N 3.07Å; H342-R357 HydrophobicContact CB-CB 4.04Å; H342-R357 HydrophobicContact CB-CG 4.24Å
343V90.9Very high89.1Confident67 Ų6767.9 Ų67.941%0.40640%0.4SS..EExtended strand (participates in β ladder)trans-89.7144.5179.2-163.60000110.5G348 K349 T350 R357V343-G348 WeakPolarHBondContact CG1-O 3.41Å; V343-K349 CarbonylContact C-O 3.58Å; V343-T350 HydrophobicContact CG1-CG2 4.42Å; V343-T350 HydrophobicContact CG2-CG2 4.25Å; V343-R357 PolarHBondContact O-NH1 2.85Å
344C90.9Very high89.1Confident1 Ų167 Ų671%0.00740%0.401CS..  trans-77.4114.5162170.70000108.9I346 C347 G348 K349 F351 H360 M361C344-I346 PolarHBondContact O-N 3.23Å; C344-I346 VanDerWaalsContact O-N 3.13Å; C344-I346 PolarHBondContact SG-N 3.38Å; C344-C347 PolarHBondContact SG-N 3.33Å; C344-C347 PolarHBondContact SG-SG 3.09Å; C344-G348 VanDerWaalsContact O-CA 3.32Å; C344-G348 WeakPolarHBondContact O-CA 3.32Å; C344-G348 PolarHBondContact O-N 3.47Å; C344-K349 HydrophobicContact CB-CB 4.36Å; C344-K349 WeakPolarHBondContact CB-O 3.41Å; C344-K349 PolarHBondContact N-O 3.46Å; C344-F351 HydrophobicContact CB-CE2 4.29Å; C344-H360 PolarHBondContact SG-NE2 3.43Å; C344-M361 HydrophobicContact CB-SD 3.85Å; C344-M361 PolarHBondContact SG-SD 2.78Å
345G88.2Confident89.1Confident72 Ų7267.5 Ų67.574%0.74241%0.414SS*.THydrogen-bonded Turntrans-65.1-12.2179.200000115.2
346I87.6Confident89.2Confident76 Ų7665.5 Ų65.539%0.3940%0.404SS..THydrogen-bonded Turntrans-98.2-42.6-177.9-60.3173.9000112.2C344 M361 H365 E368C344-I346 PolarHBondContact O-N 3.23Å; C344-I346 VanDerWaalsContact O-N 3.13Å; C344-I346 PolarHBondContact SG-N 3.38Å; I346-M361 HydrophobicContact CB-CE 4.44Å; I346-M361 HydrophobicContact CD1-CE 3.77Å; I346-M361 HydrophobicContact CG1-CE 3.99Å; I346-H365 HydrophobicContact CD1-CB 3.68Å; I346-H365 WeakPolarHBondContact CG2-ND1 3.42Å; I346-E368 HydrophobicContact CD1-CB 4.45Å
347C90.8Very high89.4Confident52 Ų5262.7 Ų62.735%0.35139%0.39SS..THydrogen-bonded Turntrans-122.413.8-177.474.40000115C344 K349 H360 H365C344-C347 PolarHBondContact SG-N 3.33Å; C344-C347 PolarHBondContact SG-SG 3.09Å; C347-K349 PolarHBondContact O-N 3.09Å; C347-H360 PolarHBondContact SG-NE2 2.75Å; C347-H365 PolarHBondContact SG-NE2 2.84Å; C347-H365 VanDerWaalsContact SG-NE2 3.37Å
348G88Confident89.6Confident48 Ų4861.9 Ų61.950%0.49538%0.381SS..  trans67.8-2.8175.100000115.9V343 C344 T350V343-G348 WeakPolarHBondContact CG1-O 3.41Å; C344-G348 VanDerWaalsContact O-CA 3.32Å; C344-G348 WeakPolarHBondContact O-CA 3.32Å; C344-G348 PolarHBondContact O-N 3.47Å; G348-T350 PolarHBondContact O-N 2.87Å
349K88.6Confident89.8Confident113 Ų11362.6 Ų62.649%0.49138%0.375SS..  trans-65.6129.2-175.8-73-179.8-177.6175.50111.7V343 C344 C347 F351V343-K349 CarbonylContact C-O 3.58Å; C344-K349 HydrophobicContact CB-CB 4.36Å; C344-K349 WeakPolarHBondContact CB-O 3.41Å; C344-K349 PolarHBondContact N-O 3.46Å; C347-K349 PolarHBondContact O-N 3.09Å; K349-F351 HydrophobicContact CB-CE2 3.88Å; K349-F351 HydrophobicContact CB-CZ 4.06Å; K349-F351 WeakPolarHBondContact O-CD2 3.46Å; K349-F351 WeakPolarHBondContact O-CE2 3.33Å
350T90.7Very high89.9Confident55 Ų5558.4 Ų58.434%0.33736%0.355SS..EExtended strand (participates in β ladder)trans-96.6141.7-175.963.10000111.9K340 H342 V343 G348K340-T350 WeakPolarHBondContact CD-OG1 3.32Å; H342-T350 CarbonylContact O-C 3.57Å; V343-T350 HydrophobicContact CG1-CG2 4.42Å; V343-T350 HydrophobicContact CG2-CG2 4.25Å; G348-T350 PolarHBondContact O-N 2.87Å
351F89.4Confident89.8Confident43 Ų4353.5 Ų53.519%0.18933%0.334CS..EExtended strand (participates in β ladder)trans-134.2143.9-178.7-57.9-91.3000110.9K340 H342 C344 K349 Q353 R357 H360K340-F351 CarbonylContact C-O 3.56Å; K340-F351 WeakPolarHBondContact CA-O 3.5Å; H342-F351 HydrophobicContact CB-CB 4.35Å; H342-F351 WeakPolarHBondContact CB-O 3.25Å; H342-F351 PolarHBondContact N-O 3.15Å; H342-F351 WeakPolarHBondContact O-CD2 3.3Å; H342-F351 PolarHBondContact O-N 3.04Å; C344-F351 HydrophobicContact CB-CE2 4.29Å; K349-F351 HydrophobicContact CB-CE2 3.88Å; K349-F351 HydrophobicContact CB-CZ 4.06Å; K349-F351 WeakPolarHBondContact O-CD2 3.46Å; K349-F351 WeakPolarHBondContact O-CE2 3.33Å; F351-Q353 PolarHBondContact O-N 3.09Å; F351-R357 HydrophobicContact CB-CB 4.03Å; F351-R357 HydrophobicContact CD2-CB 3.58Å; F351-R357 HydrophobicContact CD2-CG 3.62Å; F351-R357 HydrophobicContact CE2-CB 4.3Å; F351-R357 HydrophobicContact CE2-CG 4.13Å; F351-R357 HydrophobicContact CG-CB 3.9Å; F351-R357 HydrophobicContact CG-CG 4.43Å; F351-H360 HydrophobicContact CE1-CB 3.9Å; F351-H360 HydrophobicContact CE2-CB 4.14Å; F351-H360 AromaticContact CE2-CD2 3.61Å; F351-H360 AromaticContact CE2-CG 3.89Å; F351-H360 HydrophobicContact CZ-CB 3.47Å; F351-H360 VanDerWaalsContact CZ-CB 3.47Å; F351-H360 AromaticContact CZ-CD2 3.52Å; F351-H360 AromaticContact CZ-CG 3.31Å; F351-H360 AromaticContact CZ-ND1 3.85Å
352S87.8Confident89.9Confident40 Ų4056.4 Ų56.428%0.2834%0.335SS..SBendtrans-75.8-9.6173.954.60000113.7L334L334-S352 VanDerWaalsContact CD1-O 3.28Å; L334-S352 WeakPolarHBondContact CD1-O 3.44Å
353Q88.8Confident89.9Confident91 Ų9161.3 Ų61.343%0.42536%0.355SS..SBendtrans-141.6135.5178.5-58.5-174.74000111.6F351 G355 S356 R357F351-Q353 PolarHBondContact O-N 3.09Å; Q353-G355 VanDerWaalsContact C-N 3.27Å; Q353-G355 PolarHBondContact O-N 3.46Å; Q353-S356 WeakPolarHBondContact O-CB 3.47Å; Q353-S356 PolarHBondContact O-N 3.06Å; Q353-S356 VanDerWaalsContact O-N 3.15Å; Q353-R357 PolarHBondContact O-N 2.91Å; Q353-R357 VanDerWaalsContact O-N 3.11Å
354S90.6Very high89.8Confident56 Ų5666.4 Ų66.439%0.39237%0.367SS..Hα-helixtrans-59.2-36.2176.456.50000112.7H342 S356 R357 N358H342-S354 PolarHBondContact CD2-N 3.32Å; H342-S354 PolarHBondContact NE2-N 3.07Å; S354-S356 VanDerWaalsContact C-N 3.34Å; S354-S356 PolarHBondContact O-N 3.48Å; S354-R357 WeakPolarHBondContact O-CB 3.29Å; S354-R357 PolarHBondContact O-N 3.45Å; S354-N358 WeakPolarHBondContact O-CB 3.49Å; S354-N358 VanDerWaalsContact O-CG 3.23Å; S354-N358 PolarHBondContact O-N 3.48Å; S354-N358 PolarHBondContact O-OD1 2.73Å
355G89.8Confident89.6Confident42 Ų4268.1 Ų68.143%0.43338%0.375SS..Hα-helixtrans-58.5-43.8175.100000112.7Q353 N358 V359Q353-G355 VanDerWaalsContact C-N 3.27Å; Q353-G355 PolarHBondContact O-N 3.46Å; G355-N358 PolarHBondContact O-N 2.8Å; G355-V359 WeakPolarHBondContact O-CG2 3.38Å; G355-V359 PolarHBondContact O-N 2.86Å
356S90.9Very high89.2Confident55 Ų5566.5 Ų66.539%0.38536%0.359SS..Hα-helixtrans-65.8-42.6176-540000111.7Q353 S354 V359 H360Q353-S356 WeakPolarHBondContact O-CB 3.47Å; Q353-S356 PolarHBondContact O-N 3.06Å; Q353-S356 VanDerWaalsContact O-N 3.15Å; S354-S356 VanDerWaalsContact C-N 3.34Å; S354-S356 PolarHBondContact O-N 3.48Å; S356-V359 PolarHBondContact O-N 3.14Å; S356-H360 WeakPolarHBondContact O-CB 3.31Å; S356-H360 PolarHBondContact O-N 3.03Å
357R93.8Very high88.1Confident35 Ų3571.4 Ų71.413%0.13238%0.38CS..Hα-helixtrans-57.6-47.9173-168.9-87-59.8-106.910.5110.9H342 V343 F351 Q353 S354 H360 M361 D373H342-R357 HydrophobicContact CB-CB 4.04Å; H342-R357 HydrophobicContact CB-CG 4.24Å; V343-R357 PolarHBondContact O-NH1 2.85Å; F351-R357 HydrophobicContact CB-CB 4.03Å; F351-R357 HydrophobicContact CD2-CB 3.58Å; F351-R357 HydrophobicContact CD2-CG 3.62Å; F351-R357 HydrophobicContact CE2-CB 4.3Å; F351-R357 HydrophobicContact CE2-CG 4.13Å; F351-R357 HydrophobicContact CG-CB 3.9Å; F351-R357 HydrophobicContact CG-CG 4.43Å; Q353-R357 PolarHBondContact O-N 2.91Å; Q353-R357 VanDerWaalsContact O-N 3.11Å; S354-R357 WeakPolarHBondContact O-CB 3.29Å; S354-R357 PolarHBondContact O-N 3.45Å; R357-H360 CarbonylContact O-C 3.43Å; R357-H360 WeakPolarHBondContact O-CA 3.38Å; R357-H360 WeakPolarHBondContact O-CB 3.38Å; R357-H360 PolarHBondContact O-N 3.17Å; R357-H360 VanDerWaalsContact O-N 3.15Å; R357-M361 VanDerWaalsContact O-CG 3.31Å; R357-M361 WeakPolarHBondContact O-CG 3.4Å; R357-M361 PolarHBondContact O-N 2.83Å; R357-D373 IonicContact CZ-OD1 3.31Å; R357-D373 IonicContact CZ-OD2 2.87Å; R357-D373 VanDerWaalsContact CZ-OD2 3.31Å; R357-D373 IonicContact NE-OD2 3.69Å; R357-D373 IonicContact NH1-OD1 3.78Å; R357-D373 PolarHBondContact NH1-OD1 3.39Å; R357-D373 IonicContact NH2-OD1 2.84Å; R357-D373 PolarHBondContact NH2-OD1 3.49Å; R357-D373 IonicContact NH2-OD2 3.72Å; R357-D373 PolarHBondContact NH2-OD2 3.24Å
358N90.5Very high86.9Confident48 Ų4876.1 Ų76.126%0.25740%0.397SS..Hα-helixtrans-70.4-33.8-178-66.921.8000112.8S354 G355 H360 M361 R362S354-N358 WeakPolarHBondContact O-CB 3.49Å; S354-N358 VanDerWaalsContact O-CG 3.23Å; S354-N358 PolarHBondContact O-N 3.48Å; S354-N358 PolarHBondContact O-OD1 2.73Å; G355-N358 PolarHBondContact O-N 2.8Å; N358-H360 VanDerWaalsContact C-N 3.34Å; N358-M361 PolarHBondContact O-N 2.95Å; N358-R362 PolarHBondContact O-N 3.48Å
359V90.9Very high85.4Confident63 Ų6373.9 Ų73.938%0.38237%0.373SS..Hα-helixtrans-65.5-39.6169.71700000110.7G355 S356 K363G355-V359 WeakPolarHBondContact O-CG2 3.38Å; G355-V359 PolarHBondContact O-N 2.86Å; S356-V359 PolarHBondContact O-N 3.14Å; V359-K363 HydrophobicContact CG1-CD 4.02Å; V359-K363 HydrophobicContact CG1-CG 4.42Å; V359-K363 VanDerWaalsContact O-CB 3.3Å; V359-K363 WeakPolarHBondContact O-CB 3.38Å; V359-K363 WeakPolarHBondContact O-CG 3.49Å; V359-K363 PolarHBondContact O-N 2.95Å
360H90.6Very high84Confident23 Ų2372.7 Ų72.711%0.10637%0.372CS..Hα-helixtrans-63.2-47.6172.6161.780.5000111.9C344 C347 F351 S356 R357 N358 R362 K363 R364 H365C344-H360 PolarHBondContact SG-NE2 3.43Å; C347-H360 PolarHBondContact SG-NE2 2.75Å; F351-H360 HydrophobicContact CE1-CB 3.9Å; F351-H360 HydrophobicContact CE2-CB 4.14Å; F351-H360 AromaticContact CE2-CD2 3.61Å; F351-H360 AromaticContact CE2-CG 3.89Å; F351-H360 HydrophobicContact CZ-CB 3.47Å; F351-H360 VanDerWaalsContact CZ-CB 3.47Å; F351-H360 AromaticContact CZ-CD2 3.52Å; F351-H360 AromaticContact CZ-CG 3.31Å; F351-H360 AromaticContact CZ-ND1 3.85Å; S356-H360 WeakPolarHBondContact O-CB 3.31Å; S356-H360 PolarHBondContact O-N 3.03Å; R357-H360 CarbonylContact O-C 3.43Å; R357-H360 WeakPolarHBondContact O-CA 3.38Å; R357-H360 WeakPolarHBondContact O-CB 3.38Å; R357-H360 PolarHBondContact O-N 3.17Å; R357-H360 VanDerWaalsContact O-N 3.15Å; N358-H360 VanDerWaalsContact C-N 3.34Å; H360-R362 PolarHBondContact O-N 3.3Å; H360-K363 PolarHBondContact O-N 2.98Å; H360-R364 WeakPolarHBondContact O-CB 3.39Å; H360-R364 PolarHBondContact O-N 3.24Å; H360-H365 AromaticContact CE1-NE2 3.93Å; H360-H365 AromaticContact NE2-CD2 3.84Å; H360-H365 AromaticContact NE2-NE2 3.51Å
361M88.2Confident82.3Confident4 Ų474 Ų742%0.0239%0.389CS..Hα-helixtrans-51.9-55.3175.6-59.9-44.9-73.100110.6C344 I346 R357 N358 K363 R364 H365 G366 G369C344-M361 HydrophobicContact CB-SD 3.85Å; C344-M361 PolarHBondContact SG-SD 2.78Å; I346-M361 HydrophobicContact CB-CE 4.44Å; I346-M361 HydrophobicContact CD1-CE 3.77Å; I346-M361 HydrophobicContact CG1-CE 3.99Å; R357-M361 VanDerWaalsContact O-CG 3.31Å; R357-M361 WeakPolarHBondContact O-CG 3.4Å; R357-M361 PolarHBondContact O-N 2.83Å; N358-M361 PolarHBondContact O-N 2.95Å; M361-K363 VanDerWaalsContact C-N 3.33Å; M361-K363 PolarHBondContact O-N 3.26Å; M361-R364 PolarHBondContact O-N 3.01Å; M361-H365 CarbonylContact O-C 3.58Å; M361-H365 WeakPolarHBondContact O-CA 3.43Å; M361-H365 WeakPolarHBondContact O-CB 3.26Å; M361-H365 PolarHBondContact O-N 3.35Å; M361-G366 PolarHBondContact O-N 3.08Å; M361-G369 WeakPolarHBondContact CB-O 3.28Å; M361-G369 VanDerWaalsContact CE-O 3.27Å; M361-G369 WeakPolarHBondContact CE-O 3.49Å; M361-G369 WeakPolarHBondContact CG-O 3.41Å
362R90.1Very high80.6Confident140 Ų14074.9 Ų74.953%0.52840%0.404SS..Hα-helixtrans-60.4-38.9-179.3-165.5-170.2-55.1103.63113.1N358 H360N358-R362 PolarHBondContact O-N 3.48Å; H360-R362 PolarHBondContact O-N 3.3Å
363K91.2Very high78.9Confident163 Ų16376.7 Ų76.771%0.70941%0.41SS*.Hα-helixtrans-82.6-20.4-176.7-74.7-171.1176.2-168.70114.7V359 H360 M361V359-K363 HydrophobicContact CG1-CD 4.02Å; V359-K363 HydrophobicContact CG1-CG 4.42Å; V359-K363 VanDerWaalsContact O-CB 3.3Å; V359-K363 WeakPolarHBondContact O-CB 3.38Å; V359-K363 WeakPolarHBondContact O-CG 3.49Å; V359-K363 PolarHBondContact O-N 2.95Å; H360-K363 PolarHBondContact O-N 2.98Å; M361-K363 VanDerWaalsContact C-N 3.33Å; M361-K363 PolarHBondContact O-N 3.26Å
364R88.9Confident76.9Confident175 Ų17575.5 Ų75.566%0.6642%0.423SS*.Hα-helixtrans-122.2-18.9-172.6-59.7-58.7-178.291.5-2.3114.4H360 M361H360-R364 WeakPolarHBondContact O-CB 3.39Å; H360-R364 PolarHBondContact O-N 3.24Å; M361-R364 PolarHBondContact O-N 3.01Å
365H86.8Confident74.5Confident36 Ų3683.7 Ų83.717%0.16745%0.445CS..SBendtrans-132.59.4-177.4-55.2-62.5000112.7I346 C347 H360 M361 E367 E368 G369I346-H365 HydrophobicContact CD1-CB 3.68Å; I346-H365 WeakPolarHBondContact CG2-ND1 3.42Å; C347-H365 PolarHBondContact SG-NE2 2.84Å; C347-H365 VanDerWaalsContact SG-NE2 3.37Å; H360-H365 AromaticContact CE1-NE2 3.93Å; H360-H365 AromaticContact NE2-CD2 3.84Å; H360-H365 AromaticContact NE2-NE2 3.51Å; M361-H365 CarbonylContact O-C 3.58Å; M361-H365 WeakPolarHBondContact O-CA 3.43Å; M361-H365 WeakPolarHBondContact O-CB 3.26Å; M361-H365 PolarHBondContact O-N 3.35Å; H365-E367 PolarHBondContact O-N 3.1Å; H365-E368 PolarHBondContact O-N 3.48Å; H365-G369 PolarHBondContact O-N 3.41Å
366G79.6Confident72Confident39 Ų3990.8 Ų90.840%0.40247%0.467SS..THydrogen-bonded Turntrans53-128.7172.900000114.1M361M361-G366 PolarHBondContact O-N 3.08Å
367E64Low69.3Low179 Ų17995.5 Ų95.584%0.83649%0.494SS*.THydrogen-bonded Turntrans-75.9-36.9179.3-59.4-167.5141.900112.6H365 G369 L370H365-E367 PolarHBondContact O-N 3.1Å; E367-G369 PolarHBondContact O-N 3.03Å; E367-L370 PolarHBondContact O-N 3.04Å; E367-L370 VanDerWaalsContact O-N 3.09Å
368E64.8Low66.6Low150 Ų15097.1 Ų97.170%0.70152%0.521SS*.Hα-helixtrans-54.9-37.6176.5-56.6179.9152.900111.4I346 H365 L370 A371I346-E368 HydrophobicContact CD1-CB 4.45Å; H365-E368 PolarHBondContact O-N 3.48Å; E368-L370 VanDerWaalsContact C-N 3.26Å; E368-L370 PolarHBondContact O-N 2.8Å; E368-A371 PolarHBondContact O-N 3.34Å
369G57.6Low63.6Low1 Ų1103.1 Ų103.11%0.0155%0.548CS..Hα-helixtrans-68.5-13.9-17900000116.4M361 H365 E367M361-G369 WeakPolarHBondContact CB-O 3.28Å; M361-G369 VanDerWaalsContact CE-O 3.27Å; M361-G369 WeakPolarHBondContact CE-O 3.49Å; M361-G369 WeakPolarHBondContact CG-O 3.41Å; H365-G369 PolarHBondContact O-N 3.41Å; E367-G369 PolarHBondContact O-N 3.03Å
370L58.4Low60.8Low89 Ų89105 Ų10547%0.46657%0.569SS.*Hα-helixtrans-98.9-24.1179.3-66.6171.9000112.8E367 E368E367-L370 PolarHBondContact O-N 3.04Å; E367-L370 VanDerWaalsContact O-N 3.09Å; E368-L370 VanDerWaalsContact C-N 3.26Å; E368-L370 PolarHBondContact O-N 2.8Å
371A56.4Low58.1Low83 Ų83110.8 Ų110.869%0.68660%0.601SS**Hα-helixtrans-74.5-31.5178.600000113.2E368 D373 G374E368-A371 PolarHBondContact O-N 3.34Å; A371-D373 VanDerWaalsContact C-N 3.26Å; A371-D373 PolarHBondContact O-N 3.31Å; A371-G374 PolarHBondContact O-N 3.49Å
372A53.7Low55.5Low61 Ų61116.8 Ų116.850%0.50464%0.637SS.*G310 helixtrans-66-21.2-176.600000114.6G374A372-G374 PolarHBondContact O-N 2.93Å
373D50.8Low52.8Low77 Ų77118.1 Ų118.141%0.41265%0.65SS.*G310 helixtrans-77.51.2-177.3-119.7-0.7000113.6R357 A371R357-D373 IonicContact CZ-OD1 3.31Å; R357-D373 IonicContact CZ-OD2 2.87Å; R357-D373 VanDerWaalsContact CZ-OD2 3.31Å; R357-D373 IonicContact NE-OD2 3.69Å; R357-D373 IonicContact NH1-OD1 3.78Å; R357-D373 PolarHBondContact NH1-OD1 3.39Å; R357-D373 IonicContact NH2-OD1 2.84Å; R357-D373 PolarHBondContact NH2-OD1 3.49Å; R357-D373 IonicContact NH2-OD2 3.72Å; R357-D373 PolarHBondContact NH2-OD2 3.24Å; A371-D373 VanDerWaalsContact C-N 3.26Å; A371-D373 PolarHBondContact O-N 3.31Å
374G46.6Very low50Low67 Ų67115.3 Ų115.369%0.69165%0.651SS**G310 helixtrans-87.6-7.3-169.900000117A371 A372A371-G374 PolarHBondContact O-N 3.49Å; A372-G374 PolarHBondContact O-N 2.93Å
375R41.4Very low47.3Very low227 Ų227112.8 Ų112.886%0.85766%0.66SS**SBendtrans-145.585.2178.8-77.6-170.5174.595.5-3.9111.6
376E37.6Very low44.7Very low192 Ų192118.3 Ų118.390%0.89769%0.69SS**  trans-170.968.9159.1-110156.2-140.700110.9G378E376-G378 PolarHBondContact O-N 3.44Å; E376-G378 VanDerWaalsContact O-N 3.16Å
377T32.5Very low42.4Very low154 Ų154124.1 Ų124.195%0.94571%0.711SS**  trans-82.886167.3520000110.8
378G37.3Very low40.8Very low69 Ų69123.9 Ų123.971%0.71171%0.71SS**  trans106.266148.600000117.7E376E376-G378 PolarHBondContact O-N 3.44Å; E376-G378 VanDerWaalsContact O-N 3.16Å
379E28.7Very low39.2Very low174 Ų174121.5 Ų121.581%0.81372%0.716SS**  trans-117.7111.4145.9-67.2-162.3145.400109.5L381E379-L381 VanDerWaalsContact C-N 3.28Å; E379-L381 PolarHBondContact O-N 3.43Å
380A32Very low37.7Very low101 Ų101129.6 Ų129.684%0.83576%0.759SS**  trans-79.384169.400000107.9T382A380-T382 PolarHBondContact O-N 3.35Å
381L33.7Very low36.3Very low146 Ų146128.7 Ų128.776%0.76477%0.771SS**  trans-61.8102.9172.8-67.5178.7000109E379 Q383E379-L381 VanDerWaalsContact C-N 3.28Å; E379-L381 PolarHBondContact O-N 3.43Å; L381-Q383 PolarHBondContact O-N 3.4Å
382T32.6Very low34.9Very low129 Ų129133.9 Ų133.979%0.79178%0.781SS**  trans-65102.4171.947.60000108.6A380 S384A380-T382 PolarHBondContact O-N 3.35Å; T382-S384 PolarHBondContact O-N 3.3Å
383Q34.5Very low33.7Very low168 Ų168139 Ų13979%0.78580%0.8SS**  trans-68.8102.5172.1-82-171.7-38.600110L381L381-Q383 PolarHBondContact O-N 3.4Å
384S32.9Very low32.4Very low104 Ų104139 Ų13973%0.72782%0.817SS**  trans-114.7144.4155-72.10000108.5T382T382-S384 PolarHBondContact O-N 3.3Å
385S32Very low31.4Very low122 Ų122139.9 Ų139.985%0.85383%0.827SS**  trans81.6108.1175.3-52.80000117.5
386L31.9Very low30.5Very low153 Ų153132.7 Ų132.780%0.80182%0.823SS**  trans-44.7159.7150.9-101.367.7000113
387L30.5Very low29.8Very low161 Ų161131.1 Ų131.184%0.84382%0.82SS**  -166.5172105.1-93.3172.7000111
388E31.6Very low29.4Very low174 Ų174129.5 Ų129.581%0.81381%0.81SS**  trans-87.6160.9-153.6-53.7170.7133.600115.5
389A30.3Very low28.8Very low100 Ų100131.6 Ų131.683%0.82681%0.809SS**  trans-173.4128.1135.400000112
390D27.4Very low28.6Very low171 Ų171131.2 Ų131.291%0.91481%0.809SS**  trans-78.5174.9162.3-65.6-69000111.6
391G27Very low28.3Very low70 Ų70132.7 Ų132.772%0.72281%0.808SS**  trans120.795.8150.900000118.4
392E27.3Very low27.9Very low191 Ų191131.9 Ų131.989%0.89381%0.81SS**  42117.6128.7-55.3-170.8120.800122.8
393N28.5Very low27.5Very low170 Ų170130.6 Ų130.691%0.90981%0.812SS**  38.6112125.1-158.823.8000120.4
394G25.1Very low27Very low75 Ų75128.6 Ų128.677%0.77381%0.811SS**  trans-175.7118.5164.200000112.9
395G24.1Very low26.7Very low86 Ų86132 Ų13289%0.88782%0.815SS**  trans-81.8145.7175.300000112.4
396G22.9Very low26.7Very low76 Ų76131.6 Ų131.678%0.78481%0.809SS**  trans-169.495-178.700000114.6
397L23.1Very low26.3Very low160 Ų160133.2 Ų133.284%0.83882%0.815SS**  trans39.1107.4150.2-164.363.8000119.3T399L397-T399 PolarHBondContact O-N 3.34Å
398V24.7Very low26.1Very low119 Ų119133.5 Ų133.572%0.72182%0.817SS**  trans-77.6117.6166.8-155.20000109.9M400V398-M400 HydrophobicContact CG1-CE 4.33Å
399T24.9Very low25.8Very low114 Ų114131.3 Ų131.370%0.69981%0.811SS**  trans-95.4102.5166.751.10000109.9L397 T401L397-T399 PolarHBondContact O-N 3.34Å; T399-T401 PolarHBondContact O-N 3.28Å
400M24Very low25.7Very low165 Ų165135.6 Ų135.681%0.81381%0.813SS**  trans-72.3109.5173.6-68.8-71.6-174.300110.4V398V398-M400 HydrophobicContact CG1-CE 4.33Å
401T25.6Very low25.7Very low132 Ų132135.1 Ų135.181%0.8181%0.805SS**  trans-98.9106.2161.548.70000109.3T399 A403T399-T401 PolarHBondContact O-N 3.28Å; T401-A403 PolarHBondContact O-N 3.35Å
402T24.4Very low25.6Very low130 Ų130135.7 Ų135.780%0.79880%0.803SS**  trans-63.7122.5174.247.60000111.2
403A24.3Very low25.5Very low101 Ų101135.8 Ų135.884%0.83581%0.806SS**  trans-114.7123.4157.200000107.5T401T401-A403 PolarHBondContact O-N 3.35Å
404V24.8Very low25.3Very low127 Ų127135.3 Ų135.377%0.7780%0.802SS**  trans-107.6158-178-177.20000108.3
405E26.3Very low25.3Very low176 Ų176143.7 Ų143.782%0.82281%0.811SS**  trans92.1148.2171.2-54.7-159.5156.800118
406P31Very low25.4Very low112 Ų112145 Ų14573%0.72781%0.807SS**  cis-126.1152.1-32.830.6-14.8000113
407M25.1Very low25.7Very low188 Ų188147.4 Ų147.493%0.92681%0.808SS**  trans-69.2134.1171.7-59.3-169.68200110.4
408N26.6Very low25.8Very low166 Ų166142.9 Ų142.989%0.88880%0.8SS**  trans-109.7114.2163.8-140.9-22.9000109.3
409L24.9Very low25.9Very low128 Ų128142.8 Ų142.867%0.6780%0.804SS**  trans-88.1118.8-169-176.775.8000109.9
410H27Very low26Very low190 Ų190141.5 Ų141.588%0.8881%0.806SS**  trans-125.8131.1158.6-116.4-104000110.2
411H28.1Very low26.3Very low162 Ų162140.1 Ų140.175%0.7580%0.802SS**  trans-65.5138.2-163.7-9340.7000113.9
412A24.1Very low26.3Very low81 Ų81139.7 Ų139.767%0.66980%0.804SS**  trans-72.3138.2161.200000110.6
413M24.8Very low26.3Very low194 Ų194139 Ų13996%0.95680%0.8SS**  trans-107.395.8160-83.4-81.6-173.600107.8
414L26Very low26.3Very low160 Ų160140.4 Ų140.484%0.83880%0.797SS**  trans-85.2125.6169.2-71.4170000109.5
415R24.6Very low26.3Very low251 Ų251140 Ų14095%0.94780%0.795SS**  trans-130.8134.2149-88.2-165.9178-143.8-0109.4
416S26.5Very low26.1Very low114 Ų114139.4 Ų139.480%0.79780%0.796SS**  trans-75.6158.2-165.2-50.10000114
417P29.6Very low25.8Very low126 Ų126138.4 Ų138.482%0.81880%0.797SS**  trans-80.6148.3169.733.8-34.4000112.2
418G24.8Very low25.9Very low65 Ų65138.7 Ų138.767%0.6780%0.796SS**  trans-104.8116.1148.800000107.3
419S25.7Very low26.2Very low116 Ų116136.1 Ų136.181%0.81179%0.789SS**  71.7130.990.568.90000112.6
420A28.5Very low26.3Very low88 Ų88138.6 Ų138.673%0.72780%0.797SS**  cis-175.2169.2-3.900000105.2
421D28.6Very low26.3Very low136 Ų136137.5 Ų137.573%0.72779%0.792SS**  cis-160162-19.5-118.2-43.8000106.9
422S26.7Very low26Very low123 Ų123136.8 Ų136.886%0.8679%0.793SS**  trans-174.878.8152.9-84.70000110.4
423V24.6Very low26Very low116 Ų116139.9 Ų139.970%0.70380%0.803SS**  trans-92.1117.2169.2179.60000108.7V425V423-V425 HydrophobicContact CG1-CG2 3.9Å
424V24.7Very low25.9Very low129 Ų129135.8 Ų135.878%0.78279%0.789SS**  trans-97.2108.4167.51760000108.6
425V23.6Very low25.8Very low118 Ų118136 Ų13672%0.71579%0.788SS**  trans-96.9121.2165.6-179.90000108.3V423V423-V425 HydrophobicContact CG1-CG2 3.9Å
426L22.5Very low25.7Very low164 Ų164129.2 Ų129.286%0.85978%0.775SS**  trans-132.1124.3157.2-76.9178.1000109
427A25.7Very low25.6Very low91 Ų91129 Ų12975%0.75277%0.769SS**  trans-87.4161179.300000111.7
428Q26.1Very low25.5Very low194 Ų194131.9 Ų131.991%0.90777%0.771SS**  trans-83.6147.6169.3-65.4178.5-29.700110.9
429P33.9Very low25.5Very low113 Ų113131.8 Ų131.873%0.73477%0.77SS**  trans-116.2136.7166.836.8-27000113.8
430H26.6Very low25.6Very low180 Ų180135.8 Ų135.883%0.83378%0.776SS**  trans-170.3130.1159.5-99-82.8000104.1
431E25.7Very low25.5Very low166 Ų166136 Ų13678%0.77678%0.777SS**  cis-141.4-179.66.3-71.8-171.1115.700112.3
432L23Very low25.5Very low147 Ų147141.1 Ų141.177%0.7779%0.788SS**  trans-21.7134.4175.4-72.770.4000119.1
433V24.6Very low25.5Very low146 Ų146138.1 Ų138.189%0.88578%0.776SS**  -141.4142.5116.5178.30000108.7
434T22.1Very low25.7Very low109 Ų109140.2 Ų140.267%0.66978%0.784SS**  trans-80.5151177.946.80000113
435M23.3Very low25.9Very low165 Ų165141.4 Ų141.481%0.81379%0.786SS**  -178.4155.9123.1-90.3-86.877.900111.6
436T23.1Very low26.2Very low108 Ų108141.3 Ų141.366%0.66379%0.785SS**  trans-74.1154.7-177.347.30000112.2
437T25.3Very low26.5Very low110 Ų110139.5 Ų139.568%0.67578%0.781SS**  -173.315868.941.90000111.7
438E25.9Very low26.7Very low186 Ų186139.1 Ų139.187%0.86978%0.777SS**  trans29.4136.5137.9-54.8170.5-169.400119.9
439G24.5Very low26.8Very low63 Ų63137.4 Ų137.465%0.64977%0.774SS**  cis153.5174.711.600000110.3
440H28.1Very low26.6Very low200 Ų200143.6 Ų143.693%0.92680%0.799SS**  trans82.9130.9179-5799.8000118.9
441A28Very low26.7Very low91 Ų91141.8 Ų141.875%0.75280%0.798SS**  trans-114144.9172.600000109.9
442Y28Very low26.7Very low244 Ų244140.5 Ų140.596%0.95780%0.799SS**  trans-159.3140.5153.4-103-87000103.7
443G27.3Very low26.9Very low60 Ų60140.2 Ų140.262%0.61980%0.801SS**  cis135.285.214.600000107.1
444D28.2Very low27Very low160 Ų160139.8 Ų139.886%0.85680%0.796SS**  trans38.7149.4164.6-57.8-41.3000122.9
445D29.2Very low27.4Very low155 Ų155141.8 Ų141.883%0.82980%0.803SS**  trans107.5140.5131.6-115.3-12.7000122.1
446V29.3Very low27.6Very low115 Ų115140.2 Ų140.270%0.69780%0.803SS**  trans87.797.7151.4177.80000122
447V29.3Very low27.9Very low127 Ų127142.5 Ų142.577%0.7781%0.813SS**  68.9105.5122.2-179.20000122
448A29Very low28.2Very low82 Ų82145 Ų14568%0.67882%0.824SS**  71.2154.2125.200000124.8
449L29Very low28.3Very low159 Ų159141.6 Ų141.683%0.83282%0.82SS**  trans66.194.3156.1-73.5156.8000118.1
450L30.3Very low28.7Very low243 Ų243148.7 Ų148.7100%1.27284%0.835SS**  -160.8097.4-98.7163.2000111.6

Retrieved 450 of 450 residues in 118.4 ms (Link to these results)