A0A077Z3Q3_TRITR Loading...

Protein vertebrate piccolo

AlphaFold DB , UniProt , Accession A0A077Z3Q3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,211 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
1M37.8Very low34.6Very low244 Ų244149.7 Ų149.7100%1.20286%0.859SS**  0910-78.7177.6166.500107
2E37.6Very low34.4Very low193 Ų193148.7 Ų148.790%0.90286%0.857SS**  trans-142101.3172.3-68.5-169.6146.400106.9
3E33.4Very low34.1Very low182 Ų182149.2 Ų149.285%0.8586%0.855SS**  trans-104127.9173.9-72-171142.700109.4V5E3-V5 PolarHBondContact O-N 3.34Å
4P44.6Very low34.1Very low124 Ų124147.1 Ų147.181%0.80585%0.846SS**  trans-77.1113.3174.430.2-31.9000110.2S6P4-S6 PolarHBondContact O-N 3.04Å
5V35.6Very low33.8Very low125 Ų125151.2 Ų151.276%0.75885%0.851SS**  trans-67.9105.3178.9178.60000110.7E3 K7E3-V5 PolarHBondContact O-N 3.34Å; V5-K7 HydrophobicContact CG1-CG 4.46Å; V5-K7 PolarHBondContact O-N 3.36Å
6S32.7Very low33.7Very low113 Ų113150.8 Ų150.879%0.7985%0.846SS**  trans-65.8120.7169.854.70000110.7P4P4-S6 PolarHBondContact O-N 3.04Å
7K37Very low33.6Very low194 Ų194148.1 Ų148.184%0.84385%0.847SS**  trans-108.9127.5167.1-81.8-171.5174.1-179.60111.5V5V5-K7 HydrophobicContact CG1-CG 4.46Å; V5-K7 PolarHBondContact O-N 3.36Å
8T32.6Very low33.4Very low142 Ų142152.5 Ų152.587%0.87185%0.848SS**  trans-51.4139.2-170.3-23.50000114.2
9A27.2Very low33.2Very low100 Ų100149.7 Ų149.783%0.82685%0.846SS**  trans-84.2135.5167.400000111.2
10A30.3Very low32.9Very low96 Ų96149 Ų14979%0.79384%0.84SS**  trans-164.8160.1160.500000110.4
11V31.7Very low32.8Very low134 Ų134148.6 Ų148.681%0.81284%0.836SS**  trans105.889.8168.8-174.50000116.6
12V31.8Very low32.4Very low137 Ų137145.7 Ų145.783%0.8382%0.819SS**  trans73.5123.8139.4-178.70000119.8
13D30.8Very low31.9Very low155 Ų155146.7 Ų146.783%0.82982%0.821SS**  trans-73.2165.2-172.9-65.4-84.9000117.6
14V34.2Very low31.9Very low121 Ų121143 Ų14373%0.73382%0.822SS**  trans-81128.1176.2176.20000111.7N16V14-N16 PolarHBondContact O-N 3.21Å
15F30.1Very low31Very low208 Ų208142.5 Ų142.591%0.91282%0.821SS**  trans-63.3113.9168.2-108-100.5000111.2
16N31.9Very low30.7Very low144 Ų144144.3 Ų144.377%0.7783%0.826SS**  trans-128.689.3178.1-113.3-44.8000111.1V14 R18V14-N16 PolarHBondContact O-N 3.21Å; N16-R18 PolarHBondContact O-N 3.44Å; N16-R18 VanDerWaalsContact O-N 3.15Å
17A32Very low30.9Very low105 Ų105144.6 Ų144.687%0.86883%0.825SS**  trans-80.591.6-177.900000111.9
18R30.2Very low31.4Very low228 Ų228141.3 Ų141.386%0.8682%0.824SS**  trans-98.698.9179.2-167.3174.3-170.4165.53.2111.8N16 N20N16-R18 PolarHBondContact O-N 3.44Å; N16-R18 VanDerWaalsContact O-N 3.15Å; R18-N20 PolarHBondContact O-N 3.15Å
19A29.4Very low31.6Very low99 Ų99140.2 Ų140.282%0.81882%0.822SS**  trans-71.9122.3176.400000111.8
20N27.1Very low31.6Very low136 Ų136144.2 Ų144.273%0.72782%0.824SS**  trans-163108171.3-120.6-3.7000110.5R18R18-N20 PolarHBondContact O-N 3.15Å
21N31.2Very low31.4Very low140 Ų140150 Ų15075%0.74983%0.825SS**  trans176.4115.8155.6-94.3-24.6000107.6
22Q30.3Very low31.3Very low184 Ų184149.8 Ų149.886%0.8682%0.819SS**  99.5141.769.4-87.7-166.320.600111.5
23K25.8Very low31.1Very low213 Ų213151 Ų15193%0.92682%0.815SS**  trans-85.8147.3-176.3-66.8173.4176.5174.40111
24A32.9Very low31Very low106 Ų106147.6 Ų147.688%0.87680%0.804SS**  trans-134.7153.7161.900000109.8
25S27.1Very low30.7Very low112 Ų112146.4 Ų146.478%0.78380%0.801SS**  trans-142.2140.1-173.254.80000111.8
26N29.2Very low30.5Very low164 Ų164146.9 Ų146.988%0.87780%0.798SS**  trans-148.4139.7171.8-99.2-31.3000111.3
27P36.8Very low30.3Very low118 Ų118145 Ų14577%0.76680%0.795SS**  trans-110.4-150.8178.146.2-36.4000111.2
28P47.7Very low30Very low125 Ų125145.9 Ų145.981%0.81279%0.79SS**  -127176.8-115.835.2-13.4000116.2
29S35.4Very low29.7Very low120 Ų120141 Ų14184%0.83979%0.789SS**  trans-138.6161.3170.259.50000112.3
30Q28.2Very low29.8Very low184 Ų184141.2 Ų141.286%0.8679%0.791SS**  trans-133.5150.3-170-56.7173.3-800111.7
31R25.5Very low29.8Very low216 Ų216143 Ų14382%0.81580%0.795SS**  161.5140.9127.5-96.7-175.2152155.1-5.7114.4
32L29.9Very low29.6Very low131 Ų131141.8 Ų141.869%0.68680%0.797SS**  trans51.6152.8142.7-49.3173.9000119
33E28.1Very low29.4Very low162 Ų162136.6 Ų136.676%0.75779%0.793SS**  cis-170.4179.2-11.5-112.1179.3-60.700107.3
34S27.7Very low29.5Very low84 Ų84138.4 Ų138.459%0.58779%0.794SS**  cis-164.9175.9-9.952.30000109
35S28.5Very low29.3Very low96 Ų96141.1 Ų141.167%0.67179%0.794SS**  trans61.1157.4151.355.20000120.9
36Y26.5Very low29.5Very low217 Ų217142.6 Ų142.685%0.85180%0.798SS**  cis-164.4158.1-31.1-108.1-57.9000110.1
37C26.8Very low29.4Very low106 Ų106137.8 Ų137.872%0.71679%0.787SS**  trans60142.2164.3-56.70000119.3
38T25.2Very low29.1Very low122 Ų122139.9 Ų139.975%0.74879%0.787SS**  cis98.5111.29.5730000119.4
39C23.7Very low28.3Very low125 Ų125140.5 Ų140.585%0.84578%0.777SS**  trans74.6123.3145.5-62.20000122.1
40A31.4Very low27.9Very low104 Ų104141.7 Ų141.786%0.8677%0.769SS**  trans-149.5151.8146.700000109.1
41H28.5Very low27.8Very low173 Ų173139 Ų13980%0.80176%0.761SS**  trans-126.3151.2-171.4-90.5-69.8000113.6
42S26.9Very low28.2Very low115 Ų115136.8 Ų136.880%0.80476%0.763SS**  trans46.4117.9144.566.20000121.8
43G26.4Very low28.2Very low75 Ų75137.7 Ų137.777%0.77377%0.769SS**  107.216489.200000120.7
44R27.4Very low28.8Very low252 Ų252134.9 Ų134.995%0.95177%0.765SS**  trans86137165.4-68.1-172.7169.4-175.3-3120.7
45N27.5Very low28.8Very low162 Ų162139.4 Ų139.487%0.86678%0.777SS**  trans-78.7141.1177.2-47.7-15.5000112.4
46T33.2Very low28.9Very low143 Ų143144 Ų14488%0.87779%0.79SS**  trans-157.4144.4140.942.10000105.2
47G27Very low28.9Very low63 Ų63137.4 Ų137.465%0.64978%0.781SS**  cis132.7144.812.700000108.3
48E29.7Very low29Very low163 Ų163143.8 Ų143.876%0.76279%0.79SS**  trans70152.6179.6-47.9-152.6145.800115.3
49K30.1Very low29.2Very low137 Ų137142.5 Ų142.560%0.59679%0.791SS**  cis-159.8159.8-14.4-115169.6-169.1147.30109.6
50Q27.9Very low29.5Very low145 Ų145142.1 Ų142.168%0.67879%0.79SS**  trans15.6152.4134.2-58.5-176.4-93.100120.2
51D26.8Very low29.3Very low127 Ų127146.8 Ų146.868%0.67979%0.794SS**  cis-172.6-177.5-10.9-89.2-30.4000105.2
52I32.1Very low29.4Very low170 Ų170142.2 Ų142.287%0.87279%0.794SS**  trans109.287.7169.5-56.7165000115.3
53D30.8Very low29.5Very low150 Ų150141.4 Ų141.480%0.80279%0.794SS**  trans-73.4173.7140.7-79.8-53.9000110
54P40.1Very low29.7Very low103 Ų103144.7 Ų144.767%0.66980%0.799SS**  cis-140.8174.517.240.8-20.7000118.2
55E28.4Very low29.9Very low179 Ų179141 Ų14184%0.83679%0.793SS**  trans37.4123.7142.3-65.8-17911800122.1
56M31.6Very low29.9Very low192 Ų192138 Ų13895%0.94678%0.784SS**  -149.5126.7104.9-140.2175.3-168.800112
57A25.7Very low29.6Very low80 Ų80136.9 Ų136.966%0.66178%0.782SS**  trans-76.3168.3164.900000109.5
58W29.1Very low29.8Very low240 Ų240141.9 Ų141.991%0.90979%0.792SS**  -139.6145.253.7-72.816.4000109.9
59A28.1Very low29.7Very low95 Ų95140.7 Ų140.779%0.78580%0.796SS**  41.5133.991.900000115.7
60S30.5Very low29.5Very low116 Ų116145.9 Ų145.981%0.81181%0.812SS**  cis-142.7155.215.2520000114
61E27.6Very low29.4Very low203 Ų203143.1 Ų143.195%0.94981%0.808SS**  trans-86.3147.2171.6-64.5-172.413400112.2
62G31.1Very low29.6Very low77 Ų77143.5 Ų143.579%0.79482%0.815SS**  trans-147.1131.7170.500000110
63A28.7Very low29.3Very low97 Ų97145.8 Ų145.880%0.80282%0.815SS**  trans-84.4139.2-16700000113.7
64T31.4Very low29Very low145 Ų145146.5 Ų146.589%0.8982%0.818SS**  -170.9161119.919.20000113.9
65H30Very low28.5Very low175 Ų175147.9 Ų147.981%0.8182%0.824SS**  trans-56.7127.6-168-86.3-92.6000118.6
66S27.6Very low28.5Very low99 Ų99144 Ų14469%0.69282%0.817SS**  24.5114.3127.462.30000119.5
67S27.8Very low28.4Very low118 Ų118145.5 Ų145.583%0.82582%0.819SS**  trans-133.8131.1140.458.80000109.7
68I30.2Very low28.4Very low169 Ų169145.2 Ų145.287%0.86782%0.823SS**  trans-129.5121172.2-72.1-179000107.1
69T28.5Very low28.4Very low138 Ų138144.9 Ų144.985%0.84782%0.822SS**  trans-79.3139.1-179.342.10000111
70R25.9Very low28.4Very low246 Ų246147.7 Ų147.793%0.92882%0.823SS**  trans-136.6107.6166.8-152.8173.6-166.31764.3109.9
71S25Very low28.1Very low86 Ų86147.6 Ų147.660%0.60182%0.822SS**  trans-99.3138176179.70000110.1Y73S71-Y73 WeakPolarHBondContact OG-CE2 3.4Å
72T31.2Very low28.4Very low135 Ų135142 Ų14283%0.82881%0.811SS**  trans-141.8130.9166.437.60000108.1
73Y25.2Very low28.3Very low218 Ų218146.6 Ų146.686%0.85581%0.812SS**  trans-91.4162.6-160.8-83.8-101.3000115S71S71-Y73 WeakPolarHBondContact OG-CE2 3.4Å
74L24.9Very low28.1Very low166 Ų166152 Ų15287%0.86982%0.817SS**  trans-79.9142.8172.7-67.7157.6000112.4
75T30Very low28Very low131 Ų131149.1 Ų149.180%0.80482%0.816SS**  trans-147.2106.3153.332.90000107.7
76S29.1Very low27.9Very low99 Ų99144.2 Ų144.269%0.69281%0.813SS**  86.395.364.972.90000114.1
77F29.4Very low27.8Very low223 Ų223147.8 Ų147.898%0.97882%0.824SS**  trans-133.3137.5149.9-93.8-83.2000107.8
78G26.2Very low28Very low73 Ų73147.2 Ų147.275%0.75382%0.82SS**  trans-159.4139.4-176.900000112.9
79R28Very low27.9Very low233 Ų233143.6 Ų143.688%0.87981%0.81SS**  trans178.9146.2173.1-106.1-171.8172.8-172.5-3.7105.8
80L28.5Very low28Very low155 Ų155144.1 Ų144.181%0.81281%0.808SS**  cis-135.3170.71.4-95.5166.3000109.4
81S24.6Very low28.2Very low113 Ų113140.2 Ų140.279%0.7980%0.804SS**  trans-120.8142.7171.1-174.90000110.7
82A32.5Very low28.3Very low87 Ų87140.4 Ų140.472%0.71981%0.811SS**  trans-152.8114.2163.100000105.5
83E29.8Very low28.1Very low172 Ų172141.2 Ų141.280%0.80481%0.81SS**  55.198.378.9-60.1-154.8126.200111.9
84K25.1Very low28.4Very low211 Ų211138.9 Ų138.992%0.91781%0.812SS**  73.811874.8-83.1-167.4171.1-177.60113.8
85G28.9Very low28.4Very low84 Ų84137.1 Ų137.187%0.86681%0.808SS**  trans130.6138.6178.700000110
86G28Very low28.3Very low72 Ų72136.3 Ų136.374%0.74281%0.805SS**  cis-160.9172.4-4.600000110.4
87N25.4Very low28.3Very low174 Ų174137 Ų13793%0.9381%0.81SS**  trans-79.8139.4-171.2-60.1-12.3000113.3
88S32.3Very low28.1Very low107 Ų107134.4 Ų134.475%0.74880%0.801SS**  trans-147112.6151.956.30000107.6
89S28.5Very low28.4Very low93 Ų93137 Ų13765%0.6580%0.804SS**  82.3101.152.377.70000113.7
90D29.1Very low28.3Very low148 Ų148130.3 Ų130.379%0.79179%0.793SS**  trans82.3151.3143.6-48.8-32.5000121.6
91L30.6Very low28.2Very low165 Ų165125.4 Ų125.486%0.86478%0.78SS**  trans59.3113.2-170.1-75.377.1000114.9
92A26.7Very low28.3Very low89 Ų89127.7 Ų127.774%0.73678%0.784SS**  cis85.4139.937.800000114.7
93D27.9Very low28Very low152 Ų152134.3 Ų134.381%0.81379%0.79SS**  trans50.7101.8174.7-59.9-17.7000118.5
94L30.7Very low27.8Very low169 Ų169138.4 Ų138.489%0.88580%0.798SS**  -178.6116.5102.9-92.8166.8000112
95T24.6Very low27.9Very low129 Ų129133.4 Ų133.479%0.79179%0.785SS**  trans-113.5159.7155.657.70000107.3
96P27.6Very low27.7Very low114 Ų114137.3 Ų137.374%0.7479%0.787SS**  cis-138.6-156.621.544.7-26.1000114.8
97S29.1Very low27.7Very low114 Ų114142.3 Ų142.380%0.79779%0.791SS**  trans76.6113.4166.762.80000118.4
98Q25.9Very low27.8Very low169 Ų169138.9 Ų138.979%0.7978%0.776SS**  trans-73.6165.7160.7-55.8173.1-86.400109.7
99P31.8Very low27.5Very low127 Ų127143.5 Ų143.583%0.82579%0.786SS**  -124.513885.735.5-31.1000114
100S27.7Very low27.3Very low93 Ų93144.4 Ų144.465%0.6579%0.788SS**  trans-65.3148.1155.645.70000109.7
101G26Very low27.1Very low52 Ų52142.8 Ų142.854%0.53679%0.788SS.*  cis103.390.514.600000109.5W103G101-W103 PolarHBondContact O-N 3.23Å
102D27.1Very low26.9Very low161 Ų161142.4 Ų142.486%0.86179%0.785SS**  trans-65.7112.3-175.5-57.9-80.8000111.8
103W25.3Very low26.9Very low225 Ų225145.2 Ų145.285%0.85279%0.788SS**  trans-118.1108174.3-82.154.3000109.6G101 T105G101-W103 PolarHBondContact O-N 3.23Å; W103-T105 PolarHBondContact O-N 3.2Å
104W25.6Very low26.7Very low259 Ų259140.9 Ų140.998%0.98178%0.779SS**  trans-71.1117.1161.9-74.353.4000107.6
105T27.6Very low26.5Very low105 Ų105136.8 Ų136.864%0.64478%0.778SS**  trans-107.7120171.750.30000109.5W103 E107W103-T105 PolarHBondContact O-N 3.2Å; T105-E107 PolarHBondContact O-N 3.31Å
106D25.3Very low26.5Very low167 Ų167135.6 Ų135.689%0.89377%0.774SS**  trans-62.6101.6171-74.1-54.7000110.6T108D106-T108 PolarHBondContact O-N 2.87Å
107E26.6Very low26.5Very low176 Ų176136.1 Ų136.182%0.82277%0.771SS**  trans-78.178.7165.8-72.9-154142.200110.8T105T105-E107 PolarHBondContact O-N 3.31Å
108T28.2Very low26.4Very low103 Ų103138.1 Ų138.163%0.63277%0.766SS**  trans45.9108.6146.456.60000117.9D106 T110D106-T108 PolarHBondContact O-N 2.87Å; T108-T110 VanDerWaalsContact C-N 3.26Å; T108-T110 PolarHBondContact O-N 2.94Å
109E24.9Very low26.5Very low204 Ų204138.8 Ų138.895%0.95377%0.774SS**  trans-60.683.9160.6-65.6-173129.600111.4S111E109-S111 PolarHBondContact O-N 3.06Å
110T26.2Very low26.3Very low111 Ų111138.4 Ų138.468%0.68177%0.774SS**  trans-75.780.9168.442.20000109.3T108 I112T108-T110 VanDerWaalsContact C-N 3.26Å; T108-T110 PolarHBondContact O-N 2.94Å; T110-I112 PolarHBondContact O-N 3.14Å
111S23.6Very low26.3Very low114 Ų114138.9 Ų138.980%0.79778%0.784SS**  trans-6379170.3174.80000110.7E109 D113E109-S111 PolarHBondContact O-N 3.06Å; S111-D113 PolarHBondContact O-N 3.11Å
112I27.6Very low26.6Very low158 Ų158140.1 Ų140.181%0.8180%0.796SS**  trans-70.4117.8170.4-64.8177.4000107.6T110T110-I112 PolarHBondContact O-N 3.14Å
113D26.6Very low26.8Very low147 Ų147139.8 Ų139.879%0.78679%0.793SS**  trans-64.5155.9-166.4-162.37.1000113.5S111 G115S111-D113 PolarHBondContact O-N 3.11Å; D113-G115 PolarHBondContact O-N 3.39Å
114G23.5Very low27.4Very low61 Ų61135.5 Ų135.563%0.62979%0.786SS**  trans-69.285-175.100000112.7S116G114-S116 PolarHBondContact O-N 2.92Å
115G24.9Very low27.9Very low83 Ų83131.5 Ų131.586%0.85678%0.778SS**  trans-66.659.4176.300000114.9D113 D117D113-G115 PolarHBondContact O-N 3.39Å; G115-D117 PolarHBondContact O-N 3.48Å
116S24.9Very low28.2Very low104 Ų104137 Ų13773%0.72779%0.788SS**  trans-8294.1172.961.40000111.1G114G114-S116 PolarHBondContact O-N 2.92Å
117D27.6Very low28.5Very low125 Ų125135.3 Ų135.367%0.66878%0.778SS**  trans-177.8155134.6-109.9-18.1000116.7G115G115-D117 PolarHBondContact O-N 3.48Å
118K28.6Very low28.9Very low157 Ų157130.2 Ų130.268%0.68377%0.766SS**  trans56.474.2148.6-61.5168.9-174.3100.50119.1
119L27.5Very low29.2Very low183 Ų183131.3 Ų131.396%0.95876%0.764SS**  trans-130.450.8143-78.5-177.3000111.9
120S26.8Very low29.9Very low118 Ų118126.1 Ų126.183%0.82575%0.746SS**  trans-103.357.9176.663.20000112.2
121A29.1Very low29.9Very low104 Ų104130.9 Ų130.986%0.8675%0.751SS**  trans-151.2135.4174.200000110.8
122G30.7Very low30.6Very low77 Ų77131.9 Ų131.979%0.79474%0.743SS**SBendtrans129.52.316400000119.6
123I32.9Very low30.9Very low155 Ų155132 Ų13280%0.79574%0.738SS**SBendtrans-119.2-33.1-176.2-60.5-176.5000114.8E125I123-E125 PolarHBondContact O-N 3.41Å
124D36.7Very low31.4Very low134 Ų134129.6 Ų129.672%0.71773%0.728SS**THydrogen-bonded Turntrans-69.2-23.5-171.9-103.4-44.2000115.6R126 L127D124-R126 PolarHBondContact O-N 3.15Å; D124-R126 VanDerWaalsContact O-N 3.12Å; D124-L127 PolarHBondContact O-N 2.83Å
125E37.2Very low31.9Very low175 Ų175131 Ų13182%0.81873%0.725SS**Hα-helixtrans-62.6-24.1-177.4-65.9-163.2145.700113.5I123I123-E125 PolarHBondContact O-N 3.41Å
126R33.6Very low32.3Very low222 Ų222133.3 Ų133.384%0.83872%0.718SS**Hα-helixtrans-75.5-23175.1-77.7-173.1170.2-174.6-2.3113.7D124D124-R126 PolarHBondContact O-N 3.15Å; D124-R126 VanDerWaalsContact O-N 3.12Å
127L32Very low32.6Very low131 Ų131132 Ų13269%0.68671%0.713SS**Hα-helixtrans-79.8-40.1-179.2-142.575.3000111.7D124 H129 V130D124-L127 PolarHBondContact O-N 2.83Å; L127-H129 VanDerWaalsContact C-N 3.26Å; L127-H129 PolarHBondContact O-N 3.37Å; L127-V130 PolarHBondContact O-N 3.43Å
128A33.3Very low32.6Very low69 Ų69136 Ų13657%0.5772%0.72SS**Hα-helixtrans-58.3-38.8173.800000112.2V130 W131A128-V130 VanDerWaalsContact C-N 3.29Å; A128-V130 PolarHBondContact O-N 3.12Å; A128-W131 PolarHBondContact O-N 3.33Å
129H35.5Very low32.9Very low126 Ų126138.3 Ų138.358%0.58373%0.731SS**Hα-helixtrans-72.9-16.4-171.1-138.2-41.8000115L127L127-H129 VanDerWaalsContact C-N 3.26Å; L127-H129 PolarHBondContact O-N 3.37Å
130V38.3Very low33.1Very low95 Ų95138.6 Ų138.658%0.57672%0.724SS**Hα-helixtrans-79.7-45173.8178.80000111L127 A128 Q132 K133L127-V130 PolarHBondContact O-N 3.43Å; A128-V130 VanDerWaalsContact C-N 3.29Å; A128-V130 PolarHBondContact O-N 3.12Å; V130-Q132 PolarHBondContact O-N 2.89Å; V130-K133 PolarHBondContact O-N 3.24Å; V130-K133 VanDerWaalsContact O-N 3.09Å
131W28.1Very low33.3Very low211 Ų211140.8 Ų140.880%0.79973%0.727SS**Hα-helixtrans-62.2-28.4-178.2-114.965.3000113.2A128 T134A128-W131 PolarHBondContact O-N 3.33Å; W131-T134 PolarHBondContact O-OG1 3.26Å
132Q36.6Very low33.4Very low135 Ų135140.5 Ų140.563%0.63172%0.724SS**Hα-helixtrans-84-9.3179.1-149.3170.917.100114V130V130-Q132 PolarHBondContact O-N 2.89Å
133K35.6Very low33.3Very low161 Ų161140.7 Ų140.770%0.773%0.726SS**Hα-helixtrans-90.9-32.7174.3-93.7-174.5172.8179.90113.2V130 T135 N136V130-K133 PolarHBondContact O-N 3.24Å; V130-K133 VanDerWaalsContact O-N 3.09Å; K133-T135 VanDerWaalsContact C-N 3.33Å; K133-T135 PolarHBondContact O-N 3.37Å; K133-N136 PolarHBondContact O-N 3.05Å
134T36.3Very low33.2Very low95 Ų95136.8 Ų136.858%0.58372%0.724SS**Hα-helixtrans-71.2-24.4-178.447.10000113.7W131W131-T134 PolarHBondContact O-OG1 3.26Å
135T34.1Very low32.8Very low91 Ų91139.1 Ų139.156%0.55874%0.736SS**THydrogen-bonded Turntrans-77-19.717656.90000114.2K133K133-T135 VanDerWaalsContact C-N 3.33Å; K133-T135 PolarHBondContact O-N 3.37Å
136N32.2Very low32.6Very low131 Ų131136.4 Ų136.470%0.70174%0.736SS**THydrogen-bonded Turntrans-105.59.4-170.2-68.511.5000113.6K133K133-N136 PolarHBondContact O-N 3.05Å
137A31.3Very low32.5Very low76 Ų76133 Ų13363%0.62874%0.735SS**SBendtrans-87.6-10.1179.400000114.4
138Y28.8Very low32.4Very low211 Ų211137.7 Ų137.783%0.82774%0.743SS**SBendtrans-113.729.1-169.4-89.2-76000115.3
139F33.6Very low32.5Very low204 Ų204139.9 Ų139.990%0.89575%0.751SS**  trans-139.178.9164.2-77.9-68.9000111.6
140K32.3Very low32.3Very low190 Ų190143.8 Ų143.883%0.82677%0.77SS**  trans-129.4166155.3-78.6-168.4172.6-1730108.7
141D31.5Very low32Very low164 Ų164142.9 Ų142.988%0.87778%0.78SS**  trans66.950171.3-49.3-19.6000115.7
142A31.7Very low31.9Very low97 Ų97138.1 Ų138.180%0.80278%0.779SS**  trans-133.271157.300000109.8G144A142-G144 PolarHBondContact O-N 3.04Å
143G26.7Very low31.6Very low82 Ų82137.8 Ų137.885%0.84579%0.785SS**  trans-71.392.6178.900000112.1L145G143-L145 PolarHBondContact O-N 3.03Å
144G32Very low31.1Very low73 Ų73139.2 Ų139.275%0.75379%0.792SS**  trans-76.5119.6-178.100000113.8A142A142-G144 PolarHBondContact O-N 3.04Å
145L28Very low30.8Very low182 Ų182140.1 Ų140.195%0.95380%0.797SS**  trans-83.6108.6160.4-83.7141.6000109.5G143G143-L145 PolarHBondContact O-N 3.03Å
146S32.3Very low30.7Very low118 Ų118139.9 Ų139.983%0.82580%0.799SS**  trans-158.7114.9161.462.20000110.9
147D32.8Very low30.7Very low151 Ų151144.5 Ų144.581%0.80781%0.807SS**  trans-86.4122.9-179.1-125.7-42.4000112.1
148R28.5Very low30.6Very low229 Ų229147.7 Ų147.786%0.86481%0.812SS**  trans58.1161.2152.4-78.7-170.1161.9-152.5-5.1121.1
149P35.8Very low30.9Very low115 Ų115147.6 Ų147.675%0.74782%0.817SS**  trans-135141.5-146.138.9-20000117
150E32.2Very low30.9Very low209 Ų209149 Ų14998%0.97782%0.816SS**  trans-139.9158.6157-68.1-165.1162.600110.5
151G32.1Very low30.8Very low75 Ų75144.2 Ų144.277%0.77381%0.806SS**  trans106.656.9174.500000116.3V153G151-V153 PolarHBondContact O-N 2.97Å
152S24.5Very low30.7Very low112 Ų112142.5 Ų142.578%0.78380%0.804SS**  trans-76.8111.2176.942.60000113.4
153V31.5Very low30.7Very low127 Ų127142 Ų14277%0.7780%0.8SS**  trans-128.588.4166.7-173.20000110.4G151 V155G151-V153 PolarHBondContact O-N 2.97Å; V153-V155 HydrophobicContact CG1-CG2 4.26Å; V153-V155 PolarHBondContact O-N 3.25Å
154F25.6Very low30.9Very low192 Ų192145.9 Ų145.984%0.84280%0.798SS**  trans-73102.5176.7-99.9-100.3000111.4S156F154-S156 PolarHBondContact O-N 2.79Å
155V29.8Very low30.9Very low113 Ų113149.8 Ų149.869%0.68580%0.8SS**  trans-97.777.9166.1-173.10000109.4V153 R157V153-V155 HydrophobicContact CG1-CG2 4.26Å; V153-V155 PolarHBondContact O-N 3.25Å; V155-R157 PolarHBondContact O-N 3.2Å
156S32.4Very low30.9Very low86 Ų86149.8 Ų149.860%0.60180%0.8SS**  trans-70.981.2-175.742.60000112.9F154 L158F154-S156 PolarHBondContact O-N 2.79Å; S156-L158 PolarHBondContact O-N 2.94Å
157R30.4Very low30.9Very low228 Ų228149.5 Ų149.586%0.8680%0.798SS**  trans-70.467.8170.9-70.5-170.5172.6-162.9-1.8112.2V155 K159V155-R157 PolarHBondContact O-N 3.2Å; R157-K159 PolarHBondContact O-N 2.96Å
158L31.1Very low30.8Very low143 Ų143146 Ų14675%0.74980%0.798SS**  trans-64.9121.8177.3-118.874.1000111.1S156 R160S156-L158 PolarHBondContact O-N 2.94Å; L158-R160 PolarHBondContact O-N 3.04Å; L158-R160 VanDerWaalsContact O-N 3.08Å
159K34.2Very low30.6Very low210 Ų210143.7 Ų143.791%0.91380%0.801SS**  trans-75.191.4174.7-63.9175.5-178173.20110R157R157-K159 PolarHBondContact O-N 2.96Å
160R32.8Very low30.3Very low233 Ų233146.2 Ų146.288%0.87980%0.8SS**  trans-75131.8164.2-74-176.5171.3170.4-2.4109.5L158L158-R160 PolarHBondContact O-N 3.04Å; L158-R160 VanDerWaalsContact O-N 3.08Å
161S31.9Very low30.4Very low90 Ų90142.2 Ų142.263%0.62979%0.785SS**  trans-78.1154.7178.359.90000111.3A163S161-A163 PolarHBondContact O-N 2.91Å
162P28.4Very low30.1Very low127 Ų127146.5 Ų146.583%0.82579%0.785SS**SBendtrans-74.614.3-168.6-19.734.9000116.8
163A31.1Very low30.2Very low88 Ų88147.6 Ų147.673%0.72778%0.782SS**SBendtrans-93.88.3-161.600000116.2S161S161-A163 PolarHBondContact O-N 2.91Å
164M30.7Very low30Very low163 Ų163148.3 Ų148.380%0.80378%0.781SS**  trans-12611.1-165.2-82.6-74.5-68.900115.7
165I33.9Very low30.2Very low155 Ų155144.9 Ų144.980%0.79578%0.781SS**  trans-108.437.5-169-36.8-177.1000112.7
166L27.8Very low29.9Very low182 Ų182144.7 Ų144.795%0.95379%0.785SS**SBendtrans-144.756.6176.4-83.5-180000113.1
167S31.1Very low29.8Very low112 Ų112148.1 Ų148.178%0.78380%0.796SS**SBendtrans-152.8147.8160.657.20000111.3
168G30.7Very low29.5Very low78 Ų78141 Ų14180%0.80479%0.786SS**  trans74.878.1164.600000117.7
169I25.7Very low29.4Very low179 Ų179142.3 Ų142.392%0.91879%0.789SS**  trans-99.1115.2145.2-62.4172.9000106
170K28.9Very low29Very low169 Ų169138.4 Ų138.474%0.73578%0.782SS**  trans-161140167.1-167.7152.6179.4165.30111.2
171D33.2Very low28.6Very low124 Ų124131.3 Ų131.366%0.66377%0.773SS**  trans32137162.5-49-5.3000118.5
172E27.3Very low28.8Very low165 Ų165132.7 Ų132.777%0.77178%0.78SS**  cis140.5145.71.2-104.1-154.2154.900106.6
173L25.5Very low28.7Very low135 Ų135132.2 Ų132.271%0.70778%0.78SS**  trans67.8130.3155.4-70.7163.8000123
174D27.8Very low28.4Very low142 Ų142136.2 Ų136.276%0.75979%0.787SS**  105.5150.9129.3-81.2-24.5000124.7
175S30.2Very low28.1Very low121 Ų121133.6 Ų133.685%0.84679%0.785SS**  trans78.4106.1172.570.90000118.8
176S22.7Very low27.7Very low109 Ų109131.4 Ų131.476%0.76278%0.783SS**  trans-106.8139.7162.357.50000110.8
177N30.2Very low27.7Very low157 Ų157127.8 Ų127.884%0.8477%0.773SS**  trans-159.6135.7160-90.8-35.1000106.9
178A25.4Very low27.5Very low78 Ų78126.6 Ų126.665%0.64577%0.77SS**  65130.270.400000112.2
179E27.3Very low27.4Very low172 Ų172130.5 Ų130.580%0.80477%0.772SS**  cis-164.9165.62.8-124.1-170.9141.500111.9
180V26.6Very low27.4Very low127 Ų127125.2 Ų125.277%0.7776%0.756SS**  trans62.2145.1144.1171.40000121.6
181A25.5Very low27.3Very low84 Ų84127.6 Ų127.669%0.69477%0.767SS**  trans-122.3-157.4169.300000108.2
182P34.6Very low26.9Very low120 Ų120130.6 Ų130.678%0.77977%0.774SS**  cis-127.5-167.9-21.943.2-27.5000111.7
183S27Very low27.2Very low117 Ų117128.9 Ų128.982%0.81877%0.774SS**  trans-175163.3140.836.10000112.4
184I23.8Very low27.2Very low172 Ų172127.7 Ų127.788%0.88277%0.773SS**  trans-149.9143-168.344.6168.6000112.2
185S25.4Very low27Very low107 Ų107128 Ų12875%0.74877%0.774SS**  trans-167.2113.7174.554.20000109.1
186S25.6Very low27Very low110 Ų110127.4 Ų127.477%0.76977%0.77SS**  62.7139.795.172.20000115.2
187S26.8Very low27.2Very low105 Ų105131.9 Ų131.973%0.73478%0.775SS**  cis-178.6163.9-1.3430000110.9
188A28Very low27Very low88 Ų88128 Ų12873%0.72777%0.773SS**  trans69.7163.1157.200000117.2
189D28.1Very low27Very low159 Ų159131 Ų13185%0.8578%0.783SS**  cis-149.4-178-4.3-140.1-33.7000113.4
190A24.5Very low27.4Very low69 Ų69127.8 Ų127.857%0.5778%0.777SS**  trans-71.8167.6-168.800000118.2
191F28.5Very low27.2Very low219 Ų219126.5 Ų126.596%0.96177%0.774SS**  -160.1170.5125.1-103.2-65000112.5
192K24.6Very low27.2Very low187 Ų187128.1 Ų128.181%0.81378%0.78SS**  trans-161.4123.3-148.7178.3-171.3-176.6-178.40115.9
193T32.5Very low26.9Very low128 Ų128127.2 Ų127.279%0.78578%0.777SS**  trans-153.4139.7163.841.10000108.5
194T26.1Very low26.8Very low110 Ų110130 Ų13068%0.67578%0.777SS**  cis75.3132.439.169.30000114.2
195L23.9Very low26.9Very low148 Ų148126.1 Ų126.178%0.77576%0.764SS**  cis-164.8-176.86.6-126.1170.3000111.9
196S30.6Very low27Very low109 Ų109128.6 Ų128.676%0.76277%0.769SS**  trans80.4162.5166.281.90000118.8
197K25.4Very low27.1Very low203 Ų203131 Ų13188%0.88377%0.774SS**  -177.9124-59.8-109.3-175.7175.8-175.60108.6
198G26.4Very low27Very low77 Ų77138.3 Ų138.379%0.79479%0.785SS**  trans-175.512617400000113.9
199V26.2Very low26.9Very low139 Ų139136.9 Ų136.984%0.84278%0.779SS**  trans-165.8150.8-164.1169.90000107.3
200P35.2Very low27Very low105 Ų105136.6 Ų136.668%0.68278%0.777SS**  cis-133.1-175.2-4.237.1-18.2000116.5
201S23.4Very low27.1Very low101 Ų101140.3 Ų140.371%0.70679%0.793SS**  trans85.7144135.970.50000122.8
202S25.3Very low27.1Very low118 Ų118139.1 Ų139.183%0.82579%0.787SS**  trans66.4143174.473.20000116.3
203S28.6Very low27.3Very low101 Ų101139.5 Ų139.571%0.70679%0.788SS**  cis-149.7162.4-5.448.30000112.2
204Q24.5Very low27Very low176 Ų176144.5 Ų144.582%0.82280%0.795SS**  trans36.7131.4148.5-88.3168.7-37.200123.6
205S25.5Very low27Very low89 Ų89146.6 Ų146.662%0.62280%0.801SS**  trans22.7134.5136.953.90000120.3
206D27.3Very low27.1Very low159 Ų159146.2 Ų146.285%0.8580%0.8SS**  cis-147146.610.8-90.1-43.2000111.4
207N28.5Very low26.9Very low161 Ų161147.7 Ų147.786%0.86180%0.799SS**  trans-148.694173.4-150.1-19.7000112.3
208R24.8Very low27.1Very low259 Ų259145.7 Ų145.798%0.97779%0.793SS**  trans-105.857.6-171.5-161.5174.7-174.6174.62.2111.7
209G26.1Very low27.2Very low57 Ų57149 Ų14959%0.58879%0.792SS**  trans-123.2-4-157.500000119.7
210N28.9Very low27Very low154 Ų154148.2 Ų148.282%0.82479%0.792SS**  trans-166.3117.4170.1-121.6-39000114.2
211V27.9Very low26.7Very low147 Ų147150.6 Ų150.689%0.89180%0.798SS**  trans-141.173.5170.6-170.40000110.5
212K27.8Very low26.9Very low193 Ų193149.8 Ų149.884%0.83979%0.793SS**  trans-148.267.2169-81-163.3175.6-177.50112
213K28.8Very low26.9Very low195 Ų195152.7 Ų152.785%0.84879%0.793SS**SBendtrans-179.971.4159.7-106.9173.2-179.5-174.10111.7
214Y25.5Very low26.8Very low233 Ų233154.1 Ų154.191%0.91480%0.803SS**  trans-152.2165.4160.2-88.7-66.7000108.6
215L26.9Very low27.1Very low155 Ų155149.5 Ų149.581%0.81280%0.802SS**  trans69.352.6-169.4-54.1177.4000114.7
216N24.8Very low27.2Very low140 Ų140151.6 Ų151.675%0.74982%0.817SS**  -89.4172.9119.4-150.568.4000107.6
217D27.7Very low27.3Very low139 Ų139147.1 Ų147.174%0.74381%0.809SS**  trans68.161171.4-47.9-21.3000115.9
218Q29.8Very low27.5Very low161 Ų161146.4 Ų146.475%0.75281%0.805SS**  trans-137.7152.6149.2-93.7-61.6-6.300110.7
219L28.2Very low27.7Very low148 Ų148143.1 Ų143.178%0.77580%0.803SS**  trans64.162.8175.6-55.6-178.8000117.4L221L219-L221 PolarHBondContact O-N 3.24Å
220S22.5Very low27.9Very low121 Ų121141.9 Ų141.985%0.84679%0.79SS**  trans-74.897.6142.8560000109.8
221L29Very low28Very low156 Ų156146.4 Ų146.482%0.81780%0.796SS**  trans-147.8136.1169.2-144.771.3000115.1L219L219-L221 PolarHBondContact O-N 3.24Å
222S26.2Very low28.1Very low84 Ų84151.2 Ų151.259%0.58780%0.798SS**  trans-18.8131.1174.457.60000122.2
223Q25.2Very low28.3Very low179 Ų179151.4 Ų151.484%0.83680%0.799SS**  71.4152.6124.9-63.6-178.19.700122.3
224S28Very low28.3Very low131 Ų131150 Ų15092%0.91680%0.8SS**  trans71.7144.2175.778.60000116.2
225G29.1Very low28.6Very low78 Ų78144.3 Ų144.380%0.80479%0.791SS**  trans108.351-175.400000115.3G227G225-G227 PolarHBondContact O-N 2.94Å; G225-G227 VanDerWaalsContact O-N 3.16Å
226S29.1Very low28.6Very low133 Ų133142.3 Ų142.393%0.9379%0.79SS**  trans-67.4110.9170.7-173.10000110.3
227G29.7Very low28.9Very low65 Ų65141.9 Ų141.967%0.6779%0.793SS**  trans-140.961.2-173.500000112G225 M229G225-G227 PolarHBondContact O-N 2.94Å; G225-G227 VanDerWaalsContact O-N 3.16Å; G227-M229 PolarHBondContact O-N 2.82Å
228D30.7Very low29.1Very low146 Ų146139.9 Ų139.978%0.78179%0.787SS**  trans-66.198.8-178.7-178.233.9000112G230D228-G230 PolarHBondContact O-N 2.76Å; D228-G230 VanDerWaalsContact O-N 3.08Å; D228-G230 VanDerWaalsContact OD1-CA 3.22Å; D228-G230 WeakPolarHBondContact OD1-CA 3.25Å; D228-G230 PolarHBondContact OD1-N 2.92Å
229M30Very low29Very low190 Ų190137.5 Ų137.594%0.93679%0.786SS**  trans-80.946.9161.7-67.9-142.6-64.600111.3G227G227-M229 PolarHBondContact O-N 2.82Å
230G31Very low29.1Very low32 Ų32137 Ų13733%0.3379%0.789SS.*  trans-58.9137.9176.100000111.2D228 R232D228-G230 PolarHBondContact O-N 2.76Å; D228-G230 VanDerWaalsContact O-N 3.08Å; D228-G230 VanDerWaalsContact OD1-CA 3.22Å; D228-G230 WeakPolarHBondContact OD1-CA 3.25Å; D228-G230 PolarHBondContact OD1-N 2.92Å; G230-R232 PolarHBondContact O-N 3.14Å
231R29.6Very low29.3Very low249 Ų249140.3 Ų140.394%0.9479%0.788SS**  trans-50.9101.7-176.7-64.3176.6175.9-156-0.5111.5K233R231-K233 PolarHBondContact O-N 2.94Å
232R31.3Very low29.3Very low248 Ų248140.2 Ų140.294%0.93679%0.789SS**  trans-65.6105174.5-67.6-173.9-1771742.3109.4G230G230-R232 PolarHBondContact O-N 3.14Å
233K30.5Very low29.3Very low196 Ų196146.3 Ų146.385%0.85280%0.799SS**PPolyproline II helixtrans-55.8146.7166.8-65.7178.9-180177.60108.9R231R231-K233 PolarHBondContact O-N 2.94Å
234L30.4Very low29.1Very low166 Ų166143.7 Ų143.787%0.86980%0.799SS**PPolyproline II helixtrans-58.1136.9172.7-72.9166.1000109.9S236L234-S236 PolarHBondContact O-N 3.39Å
235P31.8Very low29Very low113 Ų113145 Ų14573%0.73479%0.79SS**PPolyproline II helixtrans-72.8116.1-172.628-34.2000111.6V237P235-V237 PolarHBondContact O-N 3.2Å
236S27Very low28.8Very low113 Ų113150 Ų15079%0.7979%0.79SS**  trans-73.5100.3162.953.50000109.3L234L234-S236 PolarHBondContact O-N 3.39Å
237V30.2Very low28.7Very low132 Ų132149.9 Ų149.980%0.878%0.784SS**  trans-67.8127173.6179.90000108.8P235P235-V237 PolarHBondContact O-N 3.2Å
238P32.2Very low28.7Very low96 Ų96152.7 Ų152.762%0.62379%0.79SS**  trans-77.5152.8-17330.9-35.9000112.9T240P238-T240 PolarHBondContact O-N 3.24Å
239P28.1Very low28.7Very low112 Ų112150.4 Ų150.473%0.72779%0.792SS**  trans-78.7104.4176.931.5-33.4000111.3F241P239-F241 PolarHBondContact O-N 2.86Å; P239-F241 VanDerWaalsContact O-N 3.09Å
240T29.8Very low28.6Very low136 Ų136149.4 Ų149.483%0.83479%0.79SS**  trans-77.189.8167.852.90000110.3P238P238-T240 PolarHBondContact O-N 3.24Å
241F26.3Very low28.5Very low192 Ų192156.5 Ų156.584%0.84282%0.815SS**  trans-63.6129.5151.9-81.5-102.6000108.1P239P239-F241 PolarHBondContact O-N 2.86Å; P239-F241 VanDerWaalsContact O-N 3.09Å
242D29.3Very low28.7Very low154 Ų154149.5 Ų149.582%0.82480%0.801SS**  -162.9155.3115.8-133.7-28.2000114.8
243R25.7Very low28.3Very low211 Ų211147.1 Ų147.180%0.79680%0.801SS**  trans57.792.2150.8-152.1169.2-165.9137.10.8120.8
244C20.3Very low28.3Very low124 Ų124143.2 Ų143.284%0.83879%0.794SS**  trans-65.1148.7158.7-48.60000113
245Q27.9Very low28Very low159 Ų159140.1 Ų140.174%0.74379%0.786SS**  trans-164.8147.7145.1-113.91679.700112.2
246F24.6Very low27.5Very low183 Ų183147.1 Ų147.180%0.80380%0.798SS**  trans58.799.5-177.8-74.8-92.7000116.3
247V27.4Very low27.5Very low131 Ų131150.7 Ų150.779%0.79480%0.802SS**  78.3131.173.1172.80000111.7
248P29.6Very low27.1Very low124 Ų124155.6 Ų155.681%0.80581%0.808SS**  trans-110.3170.1-13741-35.6000116.2
249A29.5Very low26.9Very low98 Ų98158.2 Ų158.281%0.8182%0.817SS**  trans-135.1122.9155.500000110.2
250D29.3Very low27Very low168 Ų168162.3 Ų162.390%0.89882%0.823SS**  trans7124173.5-56.2-23.6000122.8
251Q27.9Very low27.1Very low182 Ų182164.7 Ų164.785%0.8582%0.824SS**  trans-81.6174.3155.1-67.4-177.4-1.700111.1
252P32.9Very low27.2Very low101 Ų101163.6 Ų163.666%0.65683%0.826SS**  cis-130.6167.2-39.634.1-19.1000112.4
253Q24.1Very low27.1Very low198 Ų198163.2 Ų163.293%0.92582%0.823SS**  trans-80124.4162.3-69.2-177.3-17.100111
254T30Very low27.4Very low115 Ų115157.6 Ų157.671%0.70682%0.821SS**  trans-134115.5166.149.40000112.8
255S23.6Very low27.9Very low100 Ų100158.9 Ų158.970%0.69982%0.819SS**  trans40.187151.360.20000118.6Q257S255-Q257 PolarHBondContact O-N 2.99Å; S255-Q257 VanDerWaalsContact O-N 3.1Å
256W21.7Very low28Very low261 Ų261157.4 Ų157.499%0.98982%0.823SS**  trans-3.195.2142.3-58.390.7000116.6
257Q26.5Very low28.2Very low187 Ų187152.1 Ų152.187%0.87482%0.82SS**  trans-101.7126.1159.1-79.2-165-2700110.5S255 N259S255-Q257 PolarHBondContact O-N 2.99Å; S255-Q257 VanDerWaalsContact O-N 3.1Å; Q257-N259 PolarHBondContact O-N 3.46Å
258Y22.9Very low28.3Very low235 Ų235152.1 Ų152.192%0.92282%0.821SS**  trans-67.1115.5168.1-100.5-115.6000109.7
259N28.8Very low28.2Very low152 Ų152150.8 Ų150.881%0.81382%0.815SS**  trans-154.1130.6150.1-131.3-26.8000112.1Q257 Q261Q257-N259 PolarHBondContact O-N 3.46Å; N259-Q261 PolarHBondContact O-N 3.06Å
260K28.7Very low28.1Very low197 Ų197155.6 Ų155.686%0.85782%0.817SS**  trans-79.698.6175.9-76.7-176.8175-179.50108.8L262K260-L262 PolarHBondContact O-N 3.45Å
261Q32Very low28Very low186 Ų186151.1 Ų151.187%0.86981%0.81SS**  trans-69.6114.7171.1-70.8-176.1-11.100109.8N259N259-Q261 PolarHBondContact O-N 3.06Å
262L29.4Very low27.9Very low169 Ų169148.6 Ų148.689%0.88581%0.813SS**  trans-82.3124.5173.2-136.2163.6000107.8K260 A264K260-L262 PolarHBondContact O-N 3.45Å; L262-A264 PolarHBondContact O-N 3.49Å
263I27.3Very low27.8Very low147 Ų147149.4 Ų149.475%0.75482%0.821SS**  trans-74120.8-173.6-61.7170.4000109.8L265I263-L265 HydrophobicContact CG2-CD1 4.1Å
264A31.6Very low28Very low92 Ų92145.2 Ų145.276%0.7681%0.814SS**  trans-128.1134.8164.400000108.8L262L262-A264 PolarHBondContact O-N 3.49Å
265L31.2Very low28.1Very low151 Ų151151 Ų15179%0.79182%0.822SS**  trans-75.9161.1-171.2-103.367.7000113.3I263I263-L265 HydrophobicContact CG2-CD1 4.1Å
266P28.5Very low28.3Very low128 Ų128155.4 Ų155.483%0.83183%0.829SS**  trans-75.8132.8-164.729.4-35.3000114.1
267G30.5Very low28.8Very low72 Ų72153.6 Ų153.674%0.74282%0.824SS**  trans-128.483.5178.200000113.1S269G267-S269 PolarHBondContact O-N 3.33Å
268T28.5Very low28.9Very low131 Ų131148 Ų14880%0.80482%0.817SS**  trans-0.699.5163.8560000120.4
269S26.6Very low29.3Very low96 Ų96145.4 Ų145.467%0.67181%0.813SS**  67147.2125.578.30000123.5G267G267-S269 PolarHBondContact O-N 3.33Å
270K28.5Very low29.5Very low200 Ų200146.3 Ų146.387%0.8782%0.817SS**  trans84.5132.6158.4-56.2174.7-174.9177.60118.7
271G27.6Very low29.8Very low73 Ų73142.1 Ų142.175%0.75381%0.807SS**  trans71.2104.4166.900000114.4
272S25.5Very low29.8Very low129 Ų129140.5 Ų140.590%0.90281%0.805SS**  cis56.880.627.7-1570000114
273S29.8Very low30Very low119 Ų119142.8 Ų142.883%0.83280%0.801SS**  trans-145.9115.4153.9-169.70000108.7
274S29.1Very low30.2Very low109 Ų109140.4 Ų140.476%0.76280%0.798SS**  trans-81.1124.5-177.7-179.60000110.7
275R31.6Very low30.3Very low236 Ų236144 Ų14489%0.89180%0.799SS**  trans-107.2107.4161-94.2-174.3171.1176.9-2.2109.1Y277R275-Y277 PolarHBondContact O-N 3.24Å
276K29.1Very low30.5Very low194 Ų194141.7 Ų141.784%0.84379%0.793SS**  trans-60131.8168.2-66.6-178.9175.1-175.70109.5
277Y31Very low30.9Very low223 Ų223144.7 Ų144.788%0.87579%0.793SS**  trans-122.1163.6152-111-94.2000108.7R275R275-Y277 PolarHBondContact O-N 3.24Å
278G29.4Very low31.3Very low70 Ų70149.3 Ų149.372%0.72280%0.8SS**  trans-55.4135.2-163.400000115L280G278-L280 PolarHBondContact O-N 3.19Å
279E29.9Very low31.9Very low180 Ų180149.1 Ų149.184%0.84179%0.794SS**  trans-66.396.8170.5-174.4174167.400109.5V281E279-V281 PolarHBondContact O-N 3.39Å
280L32.7Very low32.9Very low171 Ų171150.2 Ų150.290%0.89580%0.801SS**  trans-69.9100.6170.2-108.8168.7000107.9G278 D282G278-L280 PolarHBondContact O-N 3.19Å; L280-D282 PolarHBondContact O-N 2.77Å
281V36.2Very low33.6Very low109 Ų109147 Ų14766%0.66179%0.791SS**  trans-57.1103.2-177.6177.30000109.7E279 R283E279-V281 PolarHBondContact O-N 3.39Å; V281-R283 HydrophobicContact CG1-CB 4.25Å; V281-R283 PolarHBondContact O-N 3.4Å
282D31.3Very low34.5Very low152 Ų152146.2 Ų146.281%0.81378%0.783SS**  trans-69.285.2168.9-174.48.9000108.2L280 S284L280-D282 PolarHBondContact O-N 2.77Å; D282-S284 PolarHBondContact O-N 3.19Å
283R34.1Very low35.8Very low216 Ų216150 Ų15082%0.81578%0.783SS**  trans-76.375.3-171.3-164.2-177.5-168-169.34.6109.5V281 Q285V281-R283 HydrophobicContact CG1-CB 4.25Å; V281-R283 PolarHBondContact O-N 3.4Å; R283-Q285 PolarHBondContact O-N 3.32Å
284S32.1Very low37.5Very low98 Ų98154.1 Ų154.169%0.68578%0.781SS**  trans-7.791.7178.563.70000113.8D282 P286D282-S284 PolarHBondContact O-N 3.19Å; S284-P286 WeakPolarHBondContact O-CD 3.46Å
285Q32.6Very low39.8Very low167 Ų167153.3 Ų153.378%0.7878%0.781SS**  trans-52.5118.2162.1-77.4-70.6-36.200106.5R283 K287R283-Q285 PolarHBondContact O-N 3.32Å; Q285-K287 PolarHBondContact O-N 2.79Å; Q285-K287 VanDerWaalsContact O-N 3.1Å
286P36.1Very low42.2Very low103 Ų103146.9 Ų146.967%0.66976%0.764SS**  trans-60.8125.1-175.424.4-32.6000107.1S284 L288S284-P286 WeakPolarHBondContact O-CD 3.46Å; P286-L288 VanDerWaalsContact C-N 3.28Å; P286-L288 PolarHBondContact O-N 2.78Å
287K36.5Very low45.2Very low190 Ų190141.2 Ų141.283%0.82675%0.747SS**  trans-57.8100.1170.6-70.7176.7-178.8172.90106.4Q285 N289Q285-K287 PolarHBondContact O-N 2.79Å; Q285-K287 VanDerWaalsContact O-N 3.1Å; K287-N289 PolarHBondContact O-N 3.02Å
288L38.4Very low47.8Very low170 Ų170135 Ų13589%0.8973%0.733SS**  trans-58.9102.4163-81168.6000104.2P286P286-L288 VanDerWaalsContact C-N 3.28Å; P286-L288 PolarHBondContact O-N 2.78Å
289N42Very low50.8Low126 Ų126135.9 Ų135.967%0.67473%0.725SS**  trans-51.3157.2-175.8-81.9-36.6000109.1K287 M291K287-N289 PolarHBondContact O-N 3.02Å; N289-M291 PolarHBondContact O-N 3.33Å
290S46.8Very low53.8Low119 Ų119131.9 Ų131.983%0.83271%0.709SS**  trans-61.879.1166.553.70000109.6G292S290-G292 PolarHBondContact O-N 3.47Å
291M43.7Very low56.5Low133 Ų133125.6 Ų125.666%0.65568%0.682SS**  trans-65.678.6166.7-72.8-69.6-8100105.3N289 K293N289-M291 PolarHBondContact O-N 3.33Å; M291-K293 PolarHBondContact O-N 2.94Å; M291-K293 VanDerWaalsContact O-N 3.08Å
292G46.2Very low59.3Low57 Ų57127.6 Ų127.659%0.58868%0.677SS**  trans-48118.3-163.200000109.3S290 R294S290-G292 PolarHBondContact O-N 3.47Å; G292-R294 WeakPolarHBondContact O-CA 3.42Å; G292-R294 PolarHBondContact O-N 3.5Å
293K54.2Low62.3Low207 Ų207124.5 Ų124.590%0.966%0.664SS**  trans-36.498.2-165.5-66178.4-179.7178.90109.5M291 A295M291-K293 PolarHBondContact O-N 2.94Å; M291-K293 VanDerWaalsContact O-N 3.08Å; K293-A295 VanDerWaalsContact C-N 3.35Å; K293-A295 PolarHBondContact O-N 3.11Å
294R64Low65.2Low206 Ų206117.6 Ų117.678%0.77764%0.643SS**  trans-66.398.8-168.1-76-173.7178.8174.3-0.1107.6G292 L296G292-R294 WeakPolarHBondContact O-CA 3.42Å; G292-R294 PolarHBondContact O-N 3.5Å; R294-L296 PolarHBondContact O-N 2.73Å; R294-L296 VanDerWaalsContact O-N 3.07Å
295A77.3Confident68.3Low92 Ų92118 Ų11876%0.7664%0.636SS**  trans-53.8119.7-178.300000107.7K293K293-A295 VanDerWaalsContact C-N 3.35Å; K293-A295 PolarHBondContact O-N 3.11Å
296L82.6Confident71.3Confident102 Ų102117.5 Ų117.553%0.53463%0.632SS.*  trans-54.2127.8-177.1-73.2165.8000108.1R294 A301 L304R294-L296 PolarHBondContact O-N 2.73Å; R294-L296 VanDerWaalsContact O-N 3.07Å; L296-A301 HydrophobicContact CB-CB 4.23Å; L296-L304 HydrophobicContact CD1-CD1 3.86Å
297P91.3Very high74.2Confident75 Ų75117.5 Ų117.549%0.48762%0.623SS.*  trans-45.4131.6178.5-31.534.7000110T299 L300 A301P297-T299 CarbonylContact O-C 3.46Å; P297-T299 PolarHBondContact O-N 3.12Å; P297-L300 HydrophobicContact CG-CD1 4.29Å; P297-L300 WeakPolarHBondContact O-CA 3.23Å; P297-L300 PolarHBondContact O-N 3.21Å; P297-A301 PolarHBondContact O-N 2.88Å; P297-A301 VanDerWaalsContact O-N 3.1Å
298P87.1Confident77Confident91 Ų91114.3 Ų114.359%0.59161%0.611SS**Hα-helixtrans-54.1-24.8-167.4-32.236.2000114.9R302P298-R302 WeakPolarHBondContact O-CB 3.2Å; P298-R302 VanDerWaalsContact O-CG 3.25Å; P298-R302 WeakPolarHBondContact O-CG 3.13Å; P298-R302 PolarHBondContact O-N 2.93Å; P298-R302 VanDerWaalsContact O-N 3.12Å; P298-R302 PolarHBondContact O-NE 2.97Å
299T91.9Very high79.8Confident90 Ų90111 Ų11155%0.55259%0.593SS**Hα-helixtrans-69.1-44171.5-55.80000113.2P297 R302 V303P297-T299 CarbonylContact O-C 3.46Å; P297-T299 PolarHBondContact O-N 3.12Å; T299-R302 PolarHBondContact O-N 3.37Å; T299-R302 PolarHBondContact OG1-NH2 3.22Å; T299-R302 VanDerWaalsContact OG1-NH2 3.13Å; T299-V303 WeakPolarHBondContact O-CG2 3.42Å; T299-V303 PolarHBondContact O-N 3.15Å; T299-V303 VanDerWaalsContact O-N 3.08Å
300L92.6Very high82.4Confident95 Ų95112.2 Ų112.250%0.49759%0.593SS.*Hα-helixtrans-67.5-42.1174.6-67-178.5000111.7P297 R302 V303 L304P297-L300 HydrophobicContact CG-CD1 4.29Å; P297-L300 WeakPolarHBondContact O-CA 3.23Å; P297-L300 PolarHBondContact O-N 3.21Å; L300-R302 VanDerWaalsContact C-N 3.29Å; L300-R302 PolarHBondContact O-N 3.36Å; L300-V303 PolarHBondContact O-N 3.35Å; L300-L304 PolarHBondContact O-N 3.44Å
301A90.6Very high84.8Confident40 Ų40110.3 Ų110.333%0.33157%0.571SS.*Hα-helixtrans-57.1-42.1174.600000112L296 P297 L305L296-A301 HydrophobicContact CB-CB 4.23Å; P297-A301 PolarHBondContact O-N 2.88Å; P297-A301 VanDerWaalsContact O-N 3.1Å; A301-L305 WeakPolarHBondContact O-CB 3.46Å; A301-L305 PolarHBondContact O-N 3.36Å
302R93Very high87.3Confident151 Ų151108.5 Ų108.557%0.5757%0.567SS**Hα-helixtrans-68.6-29.3174.6-75.8175.9-65-144.82.9114.1P298 T299 L300 K306P298-R302 WeakPolarHBondContact O-CB 3.2Å; P298-R302 VanDerWaalsContact O-CG 3.25Å; P298-R302 WeakPolarHBondContact O-CG 3.13Å; P298-R302 PolarHBondContact O-N 2.93Å; P298-R302 VanDerWaalsContact O-N 3.12Å; P298-R302 PolarHBondContact O-NE 2.97Å; T299-R302 PolarHBondContact O-N 3.37Å; T299-R302 PolarHBondContact OG1-NH2 3.22Å; T299-R302 VanDerWaalsContact OG1-NH2 3.13Å; L300-R302 VanDerWaalsContact C-N 3.29Å; L300-R302 PolarHBondContact O-N 3.36Å; R302-K306 WeakPolarHBondContact O-CB 3.31Å; R302-K306 VanDerWaalsContact O-CG 3.3Å; R302-K306 WeakPolarHBondContact O-CG 3.42Å; R302-K306 PolarHBondContact O-N 3.07Å
303V96.2Very high89.6Confident86 Ų86110.6 Ų110.652%0.52156%0.564SS.*Hα-helixtrans-72.6-47175.8168.30000110.4T299 L300 K306 Q307T299-V303 WeakPolarHBondContact O-CG2 3.42Å; T299-V303 PolarHBondContact O-N 3.15Å; T299-V303 VanDerWaalsContact O-N 3.08Å; L300-V303 PolarHBondContact O-N 3.35Å; V303-K306 PolarHBondContact O-N 3.22Å; V303-Q307 PolarHBondContact O-N 2.89Å
304L95.1Very high91.6Very high72 Ų72105 Ų10538%0.37754%0.544SS..Hα-helixtrans-61.9-47.7177.7-68.7165.6000111.4L296 L300 K306 Q307 E308L296-L304 HydrophobicContact CD1-CD1 3.86Å; L300-L304 PolarHBondContact O-N 3.44Å; L304-K306 VanDerWaalsContact C-N 3.27Å; L304-K306 PolarHBondContact O-N 2.68Å; L304-Q307 WeakPolarHBondContact O-CA 3.26Å; L304-Q307 WeakPolarHBondContact O-CB 3.49Å; L304-Q307 PolarHBondContact O-N 2.76Å; L304-E308 WeakPolarHBondContact O-CG 3.14Å; L304-E308 PolarHBondContact O-N 2.96Å
305L95.9Very high93.2Very high105 Ų10599.7 Ų99.755%0.5553%0.526SS..Hα-helixtrans-58.5-38175.5-171.7157.5000112.1A301 L309A301-L305 WeakPolarHBondContact O-CB 3.46Å; A301-L305 PolarHBondContact O-N 3.36Å; L305-L309 VanDerWaalsContact O-CB 3.28Å; L305-L309 WeakPolarHBondContact O-CB 3.29Å; L305-L309 PolarHBondContact O-N 3.07Å
306K95.8Very high94.1Very high157 Ų157103.3 Ų103.368%0.68352%0.52SS*.Hα-helixtrans-67.7-33.5174-81.4-176175-167.70113.2R302 V303 L304 K310R302-K306 WeakPolarHBondContact O-CB 3.31Å; R302-K306 VanDerWaalsContact O-CG 3.3Å; R302-K306 WeakPolarHBondContact O-CG 3.42Å; R302-K306 PolarHBondContact O-N 3.07Å; V303-K306 PolarHBondContact O-N 3.22Å; L304-K306 VanDerWaalsContact C-N 3.27Å; L304-K306 PolarHBondContact O-N 2.68Å; K306-K310 WeakPolarHBondContact O-CB 3.18Å; K306-K310 PolarHBondContact O-N 3.15Å; K306-K310 VanDerWaalsContact O-N 3.09Å
307Q96.7Very high94.7Very high104 Ų104101.1 Ų101.149%0.48652%0.517SS..Hα-helixtrans-68.1-51.7172.8179.4-176.7-26.500110.7V303 L304 L309 K310 E311V303-Q307 PolarHBondContact O-N 2.89Å; L304-Q307 WeakPolarHBondContact O-CA 3.26Å; L304-Q307 WeakPolarHBondContact O-CB 3.49Å; L304-Q307 PolarHBondContact O-N 2.76Å; Q307-L309 VanDerWaalsContact C-N 3.3Å; Q307-L309 PolarHBondContact O-N 3.1Å; Q307-K310 WeakPolarHBondContact O-CA 3.01Å; Q307-K310 WeakPolarHBondContact O-CB 3.33Å; Q307-K310 PolarHBondContact O-N 3.25Å; Q307-E311 WeakPolarHBondContact CG-OE1 3.49Å; Q307-E311 PolarHBondContact NE2-OE1 3.02Å; Q307-E311 PolarHBondContact O-N 2.73Å
308E96Very high95Very high122 Ų122102.6 Ų102.657%0.5752%0.517SS*.Hα-helixtrans-54.1-46.6177.1-69.6168.2179.400111.2L304 K310 E311 V312L304-E308 WeakPolarHBondContact O-CG 3.14Å; L304-E308 PolarHBondContact O-N 2.96Å; E308-K310 PolarHBondContact O-N 3.08Å; E308-E311 PolarHBondContact O-N 2.85Å; E308-V312 WeakPolarHBondContact O-CB 3.39Å; E308-V312 VanDerWaalsContact O-CG2 3.3Å; E308-V312 WeakPolarHBondContact O-CG2 3.13Å; E308-V312 PolarHBondContact O-N 3.17Å
309L96Very high95.4Very high100 Ų100106.3 Ų106.352%0.52452%0.519SS..Hα-helixtrans-61.1-42.2175.7-165.191.6000112L305 Q307 V312 L313L305-L309 VanDerWaalsContact O-CB 3.28Å; L305-L309 WeakPolarHBondContact O-CB 3.29Å; L305-L309 PolarHBondContact O-N 3.07Å; Q307-L309 VanDerWaalsContact C-N 3.3Å; Q307-L309 PolarHBondContact O-N 3.1Å; L309-V312 PolarHBondContact O-N 3.26Å; L309-L313 HydrophobicContact CD2-CD1 4.12Å; L309-L313 HydrophobicContact CG-CD1 4.11Å; L309-L313 WeakPolarHBondContact O-CB 3.24Å; L309-L313 VanDerWaalsContact O-CG 3.23Å; L309-L313 WeakPolarHBondContact O-CG 2.94Å; L309-L313 PolarHBondContact O-N 3.45Å
310K97.1Very high95.5Very high153 Ų153107 Ų10767%0.66552%0.519SS*.Hα-helixtrans-62.9-43.7177-174.9-172.8176.5-169.50111.2K306 Q307 E308 L313 L314K306-K310 WeakPolarHBondContact O-CB 3.18Å; K306-K310 PolarHBondContact O-N 3.15Å; K306-K310 VanDerWaalsContact O-N 3.09Å; Q307-K310 WeakPolarHBondContact O-CA 3.01Å; Q307-K310 WeakPolarHBondContact O-CB 3.33Å; Q307-K310 PolarHBondContact O-N 3.25Å; E308-K310 PolarHBondContact O-N 3.08Å; K310-L313 PolarHBondContact O-N 2.58Å; K310-L314 VanDerWaalsContact O-CB 3.3Å; K310-L314 WeakPolarHBondContact O-CB 3.33Å; K310-L314 PolarHBondContact O-N 2.9Å
311E96.6Very high95.6Very high78 Ų78108.1 Ų108.136%0.36452%0.522SS..Hα-helixtrans-66.6-39.9177.3-70.7-177.1-144.800112.5Q307 E308 L314 K315Q307-E311 WeakPolarHBondContact CG-OE1 3.49Å; Q307-E311 PolarHBondContact NE2-OE1 3.02Å; Q307-E311 PolarHBondContact O-N 2.73Å; E308-E311 PolarHBondContact O-N 2.85Å; E311-L314 PolarHBondContact O-N 2.97Å; E311-K315 WeakPolarHBondContact O-CB 3.41Å; E311-K315 VanDerWaalsContact O-CG 3.3Å; E311-K315 WeakPolarHBondContact O-CG 3.48Å; E311-K315 PolarHBondContact O-N 2.99Å; E311-K315 IonicContact OE2-NZ 3.74Å
312V96.3Very high95.8Very high96 Ų96109 Ų10958%0.58253%0.529SS*.Hα-helixtrans-65.7-41.1175.4168.10000111.3E308 L309 R316E308-V312 WeakPolarHBondContact O-CB 3.39Å; E308-V312 VanDerWaalsContact O-CG2 3.3Å; E308-V312 WeakPolarHBondContact O-CG2 3.13Å; E308-V312 PolarHBondContact O-N 3.17Å; L309-V312 PolarHBondContact O-N 3.26Å; V312-R316 WeakPolarHBondContact O-CB 3.2Å; V312-R316 PolarHBondContact O-N 3.41Å
313L96.3Very high95.7Very high100 Ų100105.1 Ų105.152%0.52453%0.525SS..Hα-helixtrans-67.5-40.5176-72.9170.4000112.1L309 K310 R316 A317L309-L313 HydrophobicContact CD2-CD1 4.12Å; L309-L313 HydrophobicContact CG-CD1 4.11Å; L309-L313 WeakPolarHBondContact O-CB 3.24Å; L309-L313 VanDerWaalsContact O-CG 3.23Å; L309-L313 WeakPolarHBondContact O-CG 2.94Å; L309-L313 PolarHBondContact O-N 3.45Å; K310-L313 PolarHBondContact O-N 2.58Å; L313-R316 WeakPolarHBondContact O-CB 3.42Å; L313-R316 PolarHBondContact O-N 3.44Å; L313-R316 VanDerWaalsContact O-N 3.16Å; L313-A317 PolarHBondContact O-N 3.16Å
314L96Very high95.6Very high90 Ų90107 Ų10747%0.47153%0.528SS..Hα-helixtrans-62.3-50.3174.9-175.8149.4000110.8K310 E311 R316 A317 E318K310-L314 VanDerWaalsContact O-CB 3.3Å; K310-L314 WeakPolarHBondContact O-CB 3.33Å; K310-L314 PolarHBondContact O-N 2.9Å; E311-L314 PolarHBondContact O-N 2.97Å; L314-R316 PolarHBondContact O-N 3.31Å; L314-R316 VanDerWaalsContact O-N 3.12Å; L314-A317 WeakPolarHBondContact O-CA 3.19Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 2.64Å; L314-E318 HydrophobicContact CD2-CG 4.27Å; L314-E318 VanDerWaalsContact CD2-OE1 3.25Å; L314-E318 WeakPolarHBondContact CD2-OE1 3.39Å; L314-E318 WeakPolarHBondContact O-CG 3.5Å; L314-E318 PolarHBondContact O-N 3.44Å
315K96.4Very high95.3Very high95 Ų95107.6 Ų107.641%0.41353%0.531SS..Hα-helixtrans-62.2-19.6174.2-70.1164.9-178.6157.90113.3E311 E318 R319E311-K315 WeakPolarHBondContact O-CB 3.41Å; E311-K315 VanDerWaalsContact O-CG 3.3Å; E311-K315 WeakPolarHBondContact O-CG 3.48Å; E311-K315 PolarHBondContact O-N 2.99Å; E311-K315 IonicContact OE2-NZ 3.74Å; K315-E318 WeakPolarHBondContact CA-OE2 3.25Å; K315-R319 WeakPolarHBondContact O-CG 3.41Å; K315-R319 PolarHBondContact O-NH1 2.86Å
316R96.8Very high95.1Very high168 Ų168107 Ų10763%0.63453%0.525SS*.Hα-helixtrans-82.2-37.7171.3-173.4174-178.6162.72.3111.8V312 L313 L314 L320V312-R316 WeakPolarHBondContact O-CB 3.2Å; V312-R316 PolarHBondContact O-N 3.41Å; L313-R316 WeakPolarHBondContact O-CB 3.42Å; L313-R316 PolarHBondContact O-N 3.44Å; L313-R316 VanDerWaalsContact O-N 3.16Å; L314-R316 PolarHBondContact O-N 3.31Å; L314-R316 VanDerWaalsContact O-N 3.12Å; R316-L320 HydrophobicContact CG-CD1 4.24Å; R316-L320 VanDerWaalsContact O-CG 3.32Å; R316-L320 WeakPolarHBondContact O-CG 3.29Å; R316-L320 PolarHBondContact O-N 2.96Å; R316-L320 VanDerWaalsContact O-N 3.14Å
317A95.9Very high94.9Very high56 Ų56101.9 Ų101.946%0.46351%0.513SS..Hα-helixtrans-62.3-49.4173.900000111.1L313 L314 R319 L320 E321L313-A317 PolarHBondContact O-N 3.16Å; L314-A317 WeakPolarHBondContact O-CA 3.19Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 2.64Å; A317-R319 VanDerWaalsContact C-N 3.29Å; A317-R319 PolarHBondContact O-N 3.1Å; A317-L320 PolarHBondContact O-N 2.75Å; A317-E321 PolarHBondContact O-N 3.45Å
318E96.6Very high94.7Very high105 Ų105101.1 Ų101.149%0.49151%0.512SS..Hα-helixtrans-53.4-43.2177-67.3170.3155.500112.7L314 K315 A322L314-E318 HydrophobicContact CD2-CG 4.27Å; L314-E318 VanDerWaalsContact CD2-OE1 3.25Å; L314-E318 WeakPolarHBondContact CD2-OE1 3.39Å; L314-E318 WeakPolarHBondContact O-CG 3.5Å; L314-E318 PolarHBondContact O-N 3.44Å; K315-E318 WeakPolarHBondContact CA-OE2 3.25Å; E318-A322 WeakPolarHBondContact O-CB 3.38Å; E318-A322 PolarHBondContact O-N 2.81Å
319R95.2Very high94.5Very high169 Ų169101 Ų10164%0.63851%0.511SS*.Hα-helixtrans-69.7-33.5177.6-71.3-177.5-170.6100.4-12.3113.1K315 A317 S323K315-R319 WeakPolarHBondContact O-CG 3.41Å; K315-R319 PolarHBondContact O-NH1 2.86Å; A317-R319 VanDerWaalsContact C-N 3.29Å; A317-R319 PolarHBondContact O-N 3.1Å; R319-S323 WeakPolarHBondContact O-CB 3.46Å; R319-S323 PolarHBondContact O-N 2.75Å; R319-S323 PolarHBondContact O-OG 2.83Å
320L94.5Very high94.1Very high104 Ų104103.6 Ų103.655%0.54551%0.514SS..Hα-helixtrans-71.7-42176.4-72.6169.4000110.7R316 A317 S323 E324R316-L320 HydrophobicContact CG-CD1 4.24Å; R316-L320 VanDerWaalsContact O-CG 3.32Å; R316-L320 WeakPolarHBondContact O-CG 3.29Å; R316-L320 PolarHBondContact O-N 2.96Å; R316-L320 VanDerWaalsContact O-N 3.14Å; A317-L320 PolarHBondContact O-N 2.75Å; L320-S323 WeakPolarHBondContact O-CB 3.49Å; L320-S323 PolarHBondContact O-N 3.15Å; L320-E324 WeakPolarHBondContact O-CB 3.47Å; L320-E324 PolarHBondContact O-N 2.91Å
321E95.6Very high93.7Very high120 Ų120102.4 Ų102.456%0.56151%0.511SS*.Hα-helixtrans-61.6-46.1173.9-178.2172.3-168.300111.5A317 S323 E324 I325A317-E321 PolarHBondContact O-N 3.45Å; E321-S323 VanDerWaalsContact C-N 3.3Å; E321-S323 PolarHBondContact O-N 2.92Å; E321-E324 PolarHBondContact O-N 3.48Å; E321-I325 HydrophobicContact CG-CD1 3.99Å; E321-I325 WeakPolarHBondContact O-CB 3.41Å; E321-I325 VanDerWaalsContact O-CG1 3.29Å; E321-I325 WeakPolarHBondContact O-CG1 3.32Å; E321-I325 PolarHBondContact O-N 2.92Å
322A93.5Very high93.4Very high58 Ų58105 Ų10548%0.47952%0.521SS..Hα-helixtrans-59.6-39.6173.500000112.6E318 E326E318-A322 WeakPolarHBondContact O-CB 3.38Å; E318-A322 PolarHBondContact O-N 2.81Å; A322-E326 WeakPolarHBondContact O-CB 3.33Å; A322-E326 PolarHBondContact O-N 3.42Å
323S91.8Very high92.9Very high70 Ų70101.9 Ų101.949%0.4950%0.502SS..Hα-helixtrans-68.8-35.4175.9-55.70000112.6R319 L320 E321 A327R319-S323 WeakPolarHBondContact O-CB 3.46Å; R319-S323 PolarHBondContact O-N 2.75Å; R319-S323 PolarHBondContact O-OG 2.83Å; L320-S323 WeakPolarHBondContact O-CB 3.49Å; L320-S323 PolarHBondContact O-N 3.15Å; E321-S323 VanDerWaalsContact C-N 3.3Å; E321-S323 PolarHBondContact O-N 2.92Å; S323-A327 VanDerWaalsContact O-CB 3.28Å; S323-A327 WeakPolarHBondContact O-CB 3.4Å; S323-A327 PolarHBondContact O-N 2.9Å
324E92.9Very high92.3Very high126 Ų126101 Ų10159%0.58950%0.501SS*.Hα-helixtrans-70.5-42.3176.1-178.7167.8-175.900111.2L320 E321 A327 N328L320-E324 WeakPolarHBondContact O-CB 3.47Å; L320-E324 PolarHBondContact O-N 2.91Å; E321-E324 PolarHBondContact O-N 3.48Å; E324-A327 PolarHBondContact O-N 3.46Å; E324-N328 VanDerWaalsContact O-CB 3.32Å; E324-N328 WeakPolarHBondContact O-CB 3.36Å; E324-N328 PolarHBondContact O-N 3.25Å; E324-N328 PolarHBondContact O-ND2 2.78Å; E324-N328 VanDerWaalsContact O-ND2 3.07Å
325I89.8Confident91.9Very high84 Ų84100.5 Ų100.543%0.43150%0.502SS..Hα-helixtrans-60.2-46.2172.3-68.6165.9000110.5E321 N328 Q329E321-I325 HydrophobicContact CG-CD1 3.99Å; E321-I325 WeakPolarHBondContact O-CB 3.41Å; E321-I325 VanDerWaalsContact O-CG1 3.29Å; E321-I325 WeakPolarHBondContact O-CG1 3.32Å; E321-I325 PolarHBondContact O-N 2.92Å; I325-N328 PolarHBondContact O-N 3.4Å; I325-Q329 WeakPolarHBondContact O-CB 3.47Å; I325-Q329 VanDerWaalsContact O-CG 3.28Å; I325-Q329 WeakPolarHBondContact O-CG 3.29Å; I325-Q329 PolarHBondContact O-N 2.86Å
326E92.3Very high91.4Very high91 Ų91102.2 Ų102.243%0.42551%0.505SS..Hα-helixtrans-64.4-42.9177.2-162.6-164.9178.100112A322 N328 Q329 R330A322-E326 WeakPolarHBondContact O-CB 3.33Å; A322-E326 PolarHBondContact O-N 3.42Å; E326-N328 PolarHBondContact O-N 3.05Å; E326-Q329 PolarHBondContact O-N 3.28Å; E326-R330 WeakPolarHBondContact O-CB 3.27Å; E326-R330 VanDerWaalsContact O-CG 3.28Å; E326-R330 WeakPolarHBondContact O-CG 3.28Å; E326-R330 PolarHBondContact O-N 2.84Å; E326-R330 IonicContact OE1-CZ 2.99Å; E326-R330 IonicContact OE1-NE 2.68Å; E326-R330 PolarHBondContact OE1-NE 2.99Å; E326-R330 IonicContact OE1-NH2 3.28Å; E326-R330 PolarHBondContact OE1-NH2 2.93Å; E326-R330 IonicContact OE2-NH2 3.86Å
327A90.7Very high91Very high51 Ų5199.8 Ų99.842%0.42150%0.497SS..Hα-helixtrans-60.4-46.1176.400000111.7S323 E324 Q329 R330 E331S323-A327 VanDerWaalsContact O-CB 3.28Å; S323-A327 WeakPolarHBondContact O-CB 3.4Å; S323-A327 PolarHBondContact O-N 2.9Å; E324-A327 PolarHBondContact O-N 3.46Å; A327-Q329 PolarHBondContact O-N 3.22Å; A327-R330 PolarHBondContact O-N 3.17Å; A327-E331 WeakPolarHBondContact O-CB 3.41Å; A327-E331 PolarHBondContact O-N 3.1Å
328N93.5Very high90.7Very high87 Ų87103.6 Ų103.647%0.46551%0.509SS..Hα-helixtrans-64.4-37177.3-69.8-29.3000112.1E324 I325 E326 F332E324-N328 VanDerWaalsContact O-CB 3.32Å; E324-N328 WeakPolarHBondContact O-CB 3.36Å; E324-N328 PolarHBondContact O-N 3.25Å; E324-N328 PolarHBondContact O-ND2 2.78Å; E324-N328 VanDerWaalsContact O-ND2 3.07Å; I325-N328 PolarHBondContact O-N 3.4Å; E326-N328 PolarHBondContact O-N 3.05Å; N328-F332 WeakPolarHBondContact O-CB 3.22Å; N328-F332 PolarHBondContact O-N 2.93Å
329Q90.3Very high90.3Very high120 Ų120102.5 Ų102.556%0.56152%0.518SS*.Hα-helixtrans-65.2-45.6172.7-74.7174.49.300111.8I325 E326 A327 F332 V333I325-Q329 WeakPolarHBondContact O-CB 3.47Å; I325-Q329 VanDerWaalsContact O-CG 3.28Å; I325-Q329 WeakPolarHBondContact O-CG 3.29Å; I325-Q329 PolarHBondContact O-N 2.86Å; E326-Q329 PolarHBondContact O-N 3.28Å; A327-Q329 PolarHBondContact O-N 3.22Å; Q329-F332 PolarHBondContact O-N 2.81Å; Q329-V333 WeakPolarHBondContact O-CG2 3.43Å; Q329-V333 PolarHBondContact O-N 2.76Å
330R88.4Confident90.1Very high155 Ų15597.2 Ų97.259%0.58551%0.505SS*.Hα-helixtrans-61.9-43.2176.1-70.7167.9174.7-143.96.4111.3E326 A327 V333 V334E326-R330 WeakPolarHBondContact O-CB 3.27Å; E326-R330 VanDerWaalsContact O-CG 3.28Å; E326-R330 WeakPolarHBondContact O-CG 3.28Å; E326-R330 PolarHBondContact O-N 2.84Å; E326-R330 IonicContact OE1-CZ 2.99Å; E326-R330 IonicContact OE1-NE 2.68Å; E326-R330 PolarHBondContact OE1-NE 2.99Å; E326-R330 IonicContact OE1-NH2 3.28Å; E326-R330 PolarHBondContact OE1-NH2 2.93Å; E326-R330 IonicContact OE2-NH2 3.86Å; A327-R330 PolarHBondContact O-N 3.17Å; R330-V333 PolarHBondContact O-N 3.3Å; R330-V334 WeakPolarHBondContact O-CB 3.26Å; R330-V334 WeakPolarHBondContact O-CG2 3.49Å; R330-V334 PolarHBondContact O-N 3.23Å
331E89.2Confident89.7Confident127 Ų12795 Ų9559%0.59351%0.506SS*.Hα-helixtrans-63.7-42.2175.4-175173.2178.400111.8A327 V334 T335A327-E331 WeakPolarHBondContact O-CB 3.41Å; A327-E331 PolarHBondContact O-N 3.1Å; E331-V334 PolarHBondContact O-N 2.88Å; E331-T335 WeakPolarHBondContact O-CB 3.2Å; E331-T335 PolarHBondContact O-N 3.1Å; E331-T335 PolarHBondContact O-OG1 2.84Å
332F88.6Confident89.1Confident133 Ų13395.1 Ų95.158%0.58351%0.51SS*.Hα-helixtrans-60.3-46.4174175.4-97.1000112N328 Q329 T335 R336N328-F332 WeakPolarHBondContact O-CB 3.22Å; N328-F332 PolarHBondContact O-N 2.93Å; Q329-F332 PolarHBondContact O-N 2.81Å; F332-T335 PolarHBondContact O-N 2.89Å; F332-R336 HydrophobicContact CE1-CG 4.1Å; F332-R336 HydrophobicContact CE2-CG 4.26Å; F332-R336 HydrophobicContact CZ-CG 3.9Å; F332-R336 WeakPolarHBondContact O-CB 3.5Å; F332-R336 PolarHBondContact O-N 2.81Å
333V86.7Confident88.4Confident31 Ų3199.4 Ų99.419%0.18852%0.515CS..Hα-helixtrans-61.4-47.7178.3167.20000111.4Q329 R330 R336 Y337 Y343 P344Q329-V333 WeakPolarHBondContact O-CG2 3.43Å; Q329-V333 PolarHBondContact O-N 2.76Å; R330-V333 PolarHBondContact O-N 3.3Å; V333-R336 PolarHBondContact O-N 3.39Å; V333-Y337 WeakPolarHBondContact O-CB 3.15Å; V333-Y337 PolarHBondContact O-N 2.95Å; V333-Y343 HydrophobicContact CG1-CD2 4.2Å; V333-Y343 HydrophobicContact CG1-CE1 4.34Å; V333-Y343 HydrophobicContact CG1-CE2 3.48Å; V333-Y343 VanDerWaalsContact CG1-CE2 3.48Å; V333-P344 HydrophobicContact CB-CG 4.25Å; V333-P344 HydrophobicContact CG1-CG 3.95Å; V333-P344 HydrophobicContact CG2-CG 3.99Å
334V84.5Confident87.5Confident81 Ų8197.4 Ų97.449%0.49150%0.5SS..Hα-helixtrans-63.9-44.9177.6170.20000111R330 E331 R336 Y337 L338R330-V334 WeakPolarHBondContact O-CB 3.26Å; R330-V334 WeakPolarHBondContact O-CG2 3.49Å; R330-V334 PolarHBondContact O-N 3.23Å; E331-V334 PolarHBondContact O-N 2.88Å; V334-R336 PolarHBondContact O-N 2.93Å; V334-Y337 PolarHBondContact O-N 2.82Å; V334-L338 HydrophobicContact CG1-CD1 3.84Å; V334-L338 HydrophobicContact CG1-CG 4.32Å; V334-L338 WeakPolarHBondContact O-CB 3.43Å; V334-L338 WeakPolarHBondContact O-CG 3.38Å; V334-L338 PolarHBondContact O-N 2.86Å
335T87.6Confident86Confident80 Ų80101.5 Ų101.549%0.49152%0.516SS..Hα-helixtrans-64.4-40.8178.9-57.40000111.5E331 F332 L338 A339E331-T335 WeakPolarHBondContact O-CB 3.2Å; E331-T335 PolarHBondContact O-N 3.1Å; E331-T335 PolarHBondContact O-OG1 2.84Å; F332-T335 PolarHBondContact O-N 2.89Å; T335-L338 PolarHBondContact O-N 2.86Å; T335-A339 VanDerWaalsContact O-CB 3.24Å; T335-A339 WeakPolarHBondContact O-CB 3.41Å; T335-A339 PolarHBondContact O-N 3.46Å
336R86.1Confident84.1Confident130 Ų130101.8 Ų101.849%0.49153%0.525SS..Hα-helixtrans-60.7-45.7172.5-101.5-64.4-143.1156.75.1112.1F332 V333 V334 A339 T340 P344F332-R336 HydrophobicContact CE1-CG 4.1Å; F332-R336 HydrophobicContact CE2-CG 4.26Å; F332-R336 HydrophobicContact CZ-CG 3.9Å; F332-R336 WeakPolarHBondContact O-CB 3.5Å; F332-R336 PolarHBondContact O-N 2.81Å; V333-R336 PolarHBondContact O-N 3.39Å; V334-R336 PolarHBondContact O-N 2.93Å; R336-A339 PolarHBondContact O-N 2.91Å; R336-T340 PolarHBondContact O-N 2.75Å; R336-T340 VanDerWaalsContact O-N 3.09Å; R336-T340 PolarHBondContact O-OG1 3.38Å; R336-P344 HydrophobicContact CB-CG 4.46Å
337Y87.9Confident82.2Confident118 Ų118103.8 Ų103.846%0.46354%0.543SS..Hα-helixtrans-63-47.4178.7175.4-112.5000111.4V333 V334 A339 T340 G341V333-Y337 WeakPolarHBondContact O-CB 3.15Å; V333-Y337 PolarHBondContact O-N 2.95Å; V334-Y337 PolarHBondContact O-N 2.82Å; Y337-A339 VanDerWaalsContact C-N 3.29Å; Y337-A339 PolarHBondContact O-N 3.32Å; Y337-T340 PolarHBondContact O-N 2.93Å; Y337-G341 WeakPolarHBondContact CE2-O 3.41Å; Y337-G341 WeakPolarHBondContact O-CA 3.48Å; Y337-G341 PolarHBondContact O-N 2.79Å
338L88.3Confident80.2Confident135 Ų135104.7 Ų104.771%0.70756%0.557SS**Hα-helixtrans-62.9-32.9176.5-69.1172.9000113V334 T335V334-L338 HydrophobicContact CG1-CD1 3.84Å; V334-L338 HydrophobicContact CG1-CG 4.32Å; V334-L338 WeakPolarHBondContact O-CB 3.43Å; V334-L338 WeakPolarHBondContact O-CG 3.38Å; V334-L338 PolarHBondContact O-N 2.86Å; T335-L338 PolarHBondContact O-N 2.86Å
339A89.5Confident78Confident82 Ų82107.8 Ų107.868%0.67857%0.572SS**Hα-helixtrans-81.7-18.1179.900000114.8T335 R336 Y337T335-A339 VanDerWaalsContact O-CB 3.24Å; T335-A339 WeakPolarHBondContact O-CB 3.41Å; T335-A339 PolarHBondContact O-N 3.46Å; R336-A339 PolarHBondContact O-N 2.91Å; Y337-A339 VanDerWaalsContact C-N 3.29Å; Y337-A339 PolarHBondContact O-N 3.32Å
340T89.5Confident75.9Confident59 Ų59109.3 Ų109.336%0.36258%0.584SS.*Hα-helixtrans-129.3-14-174.1610000115.4R336 Y337 I342R336-T340 PolarHBondContact O-N 2.75Å; R336-T340 VanDerWaalsContact O-N 3.09Å; R336-T340 PolarHBondContact O-OG1 3.38Å; Y337-T340 PolarHBondContact O-N 2.93Å; T340-I342 PolarHBondContact O-N 3.24Å; T340-I342 PolarHBondContact OG1-N 3.45Å; T340-I342 PolarHBondContact OG1-O 2.81Å
341G86.1Confident73.8Confident56 Ų56106.5 Ų106.558%0.57759%0.588SS**SBendtrans68.9-1.9-166.200000114.4Y337Y337-G341 WeakPolarHBondContact CE2-O 3.41Å; Y337-G341 WeakPolarHBondContact O-CA 3.48Å; Y337-G341 PolarHBondContact O-N 2.79Å
342I83.7Confident71.7Confident123 Ų123103.7 Ų103.763%0.63159%0.587SS**  trans-112.9117.8-173.6-60.2170.3000109T340T340-I342 PolarHBondContact O-N 3.24Å; T340-I342 PolarHBondContact OG1-N 3.45Å; T340-I342 PolarHBondContact OG1-O 2.81Å
343Y79.6Confident69.3Low149 Ų149102.2 Ų102.258%0.58459%0.591SS**  trans-68.4127.8174.7-168.2-88.6000109.3V333 K345V333-Y343 HydrophobicContact CG1-CD2 4.2Å; V333-Y343 HydrophobicContact CG1-CE1 4.34Å; V333-Y343 HydrophobicContact CG1-CE2 3.48Å; V333-Y343 VanDerWaalsContact CG1-CE2 3.48Å; Y343-K345 PolarHBondContact O-N 3.07Å; Y343-K345 VanDerWaalsContact O-N 3.1Å
344P73.1Confident67.5Low28 Ų28112.5 Ų112.518%0.18263%0.626CS.*  trans-65.7112.6-174.725.4-33.6000111.4V333 R336 S346V333-P344 HydrophobicContact CB-CG 4.25Å; V333-P344 HydrophobicContact CG1-CG 3.95Å; V333-P344 HydrophobicContact CG2-CG 3.99Å; R336-P344 HydrophobicContact CB-CG 4.46Å; P344-S346 PolarHBondContact O-N 2.82Å
345K59.7Low66Low211 Ų211114 Ų11492%0.91764%0.635SS**  trans-80.654.7176.9-67.7-171.3176.7-177.30112.5Y343Y343-K345 PolarHBondContact O-N 3.07Å; Y343-K345 VanDerWaalsContact O-N 3.1Å
346S51.9Low64.4Low91 Ų91116.7 Ų116.764%0.63665%0.651SS**  trans-164.6143.1171.852.20000109.1P344P344-S346 PolarHBondContact O-N 2.82Å
347V52.3Low62.7Low133 Ų133117.6 Ų117.681%0.80666%0.661SS**SBendcis-132.6135.214.2-178.40000111I349V347-I349 PolarHBondContact O-N 2.86Å
348G47.9Very low61.5Low69 Ų69115.1 Ų115.171%0.71166%0.66SS**SBendtrans72.7-16.1144.200000121.5
349I47.8Very low60.3Low153 Ų153112.9 Ų112.979%0.78567%0.67SS**  trans-125.819.8-175.1-27.2-178.4000114.2V347 S351V347-I349 PolarHBondContact O-N 2.86Å; I349-S351 PolarHBondContact O-N 2.81Å
350D45.9Very low59.2Low152 Ų152113.8 Ų113.881%0.81366%0.663SS**  trans-79.344.4158.3-16218.8000111A352D350-A352 PolarHBondContact O-N 2.9Å
351S44Very low58.3Low95 Ų95114.7 Ų114.766%0.66467%0.669SS**  trans-88.326.4167.4-60.80000110.3I349 P353I349-S351 PolarHBondContact O-N 2.81Å; S351-P353 WeakPolarHBondContact O-CD 3.49Å
352A45.1Very low57.2Low69 Ų69118.5 Ų118.557%0.5768%0.676SS**  trans-65107161.700000106.6D350 R354D350-A352 PolarHBondContact O-N 2.9Å; A352-R354 PolarHBondContact O-N 3.44Å
353P37.5Very low56.6Low101 Ų101119.9 Ų119.966%0.65668%0.68SS**  trans-65.5134.2-171.228.1-34.3000109S351 V355S351-P353 WeakPolarHBondContact O-CD 3.49Å; P353-V355 HydrophobicContact CB-CB 4.29Å; P353-V355 HydrophobicContact CB-CG2 3.96Å; P353-V355 PolarHBondContact O-N 3.26Å
354R49.9Very low55.8Low247 Ų247118.5 Ų118.593%0.93268%0.68SS**  trans-70.341.1168.4-86.5-174.1161.8-154.3-3.4112.1A352 V356A352-R354 PolarHBondContact O-N 3.44Å; R354-V356 PolarHBondContact O-N 3.44Å
355V53Low55.6Low113 Ų113119.8 Ų119.869%0.68569%0.687SS**  trans-92.288.6173.5174.70000107P353 Q357P353-V355 HydrophobicContact CB-CB 4.29Å; P353-V355 HydrophobicContact CB-CG2 3.96Å; P353-V355 PolarHBondContact O-N 3.26Å; V355-Q357 PolarHBondContact O-N 2.96Å
356V54Low55.7Low136 Ų136117.6 Ų117.682%0.82468%0.678SS**  trans-69.6107.4161.1179.50000106.1R354 C358R354-V356 PolarHBondContact O-N 3.44Å; V356-C358 PolarHBondContact O-N 2.88Å
357Q49.4Very low56.2Low149 Ų149116.8 Ų116.870%0.69668%0.684SS**  trans-69.193.9-178.5-175.7171.2-7.900109.8V355V355-Q357 PolarHBondContact O-N 2.96Å
358C63.1Low56.2Low66 Ų66114.6 Ų114.645%0.44667%0.674SS.*  trans-71.1135.9176.767.80000110.8V356 L360V356-C358 PolarHBondContact O-N 2.88Å; C358-L360 PolarHBondContact O-N 2.92Å
359G63.6Low56.3Low88 Ų88117 Ų11791%0.90767%0.674SS**  trans-76.923.7179.400000114.8
360L66.9Low56.5Low101 Ų101116.9 Ų116.953%0.52967%0.674SS.*SBendtrans-87.4144.4179.9-70.1174.3000110.7C358 V365C358-L360 PolarHBondContact O-N 2.92Å; L360-V365 HydrophobicContact CB-CG2 3.8Å
361P68.9Low56.8Low78 Ų78118.3 Ų118.351%0.50667%0.673SS.*  trans-56.5141.6174.9-24.734.5000112E363 M364 V365P361-E363 PolarHBondContact O-N 3.29Å; P361-E363 VanDerWaalsContact O-N 3.12Å; P361-M364 PolarHBondContact O-N 3.32Å; P361-V365 PolarHBondContact O-N 3.05Å
362L64.9Low56.8Low136 Ų136120.7 Ų120.771%0.71268%0.677SS**Hα-helixtrans-55.5-35.4-176.1-175.162.1000112.7M364 V365 K366L362-M364 VanDerWaalsContact C-N 3.27Å; L362-M364 PolarHBondContact O-N 2.9Å; L362-V365 PolarHBondContact O-N 3.06Å; L362-V365 VanDerWaalsContact O-N 3.14Å; L362-K366 VanDerWaalsContact O-CB 3.25Å; L362-K366 WeakPolarHBondContact O-CB 3.39Å; L362-K366 PolarHBondContact O-N 3.1Å
363E69.8Low56.5Low153 Ų153123.8 Ų123.872%0.71568%0.684SS**Hα-helixtrans-52.4-40.4172.4-66.4-63.7111.200113.1P361P361-E363 PolarHBondContact O-N 3.29Å; P361-E363 VanDerWaalsContact O-N 3.12Å
364M63.5Low56.8Low120 Ų120127 Ų12759%0.59169%0.691SS**Hα-helixtrans-81.4-24.4179.8-65.4-175.766.700113.2P361 L362 C368P361-M364 PolarHBondContact O-N 3.32Å; L362-M364 VanDerWaalsContact C-N 3.27Å; L362-M364 PolarHBondContact O-N 2.9Å; M364-C368 PolarHBondContact O-SG 2.97Å
365V68.5Low56.2Low54 Ų54126.5 Ų126.533%0.32769%0.689SS.*Hα-helixtrans-85.5-27.2179.9-175.80000111.3L360 P361 L362 G367 C368L360-V365 HydrophobicContact CB-CG2 3.8Å; P361-V365 PolarHBondContact O-N 3.05Å; L362-V365 PolarHBondContact O-N 3.06Å; L362-V365 VanDerWaalsContact O-N 3.14Å; V365-G367 PolarHBondContact O-N 2.98Å; V365-C368 PolarHBondContact O-N 2.63Å
366K61.5Low55.6Low165 Ų165126.5 Ų126.572%0.71769%0.689SS**THydrogen-bonded Turntrans-68.291.3-176.2-173.5178.4179.8-173.80112.1L362L362-K366 VanDerWaalsContact O-CB 3.25Å; L362-K366 WeakPolarHBondContact O-CB 3.39Å; L362-K366 PolarHBondContact O-N 3.1Å
367G63Low55Low74 Ų74125.9 Ų125.976%0.76369%0.688SS**THydrogen-bonded Turntrans113.3-5.3-178.500000114.2V365 T369V365-G367 PolarHBondContact O-N 2.98Å; G367-T369 PolarHBondContact O-N 3.35Å; G367-T369 VanDerWaalsContact O-N 3.11Å
368C51.9Low54.4Low88 Ų88123.2 Ų123.260%0.59569%0.692SS**  trans-72.1103.5174.8-86.90000111.9M364 V365 I370M364-C368 PolarHBondContact O-SG 2.97Å; V365-C368 PolarHBondContact O-N 2.63Å; C368-I370 PolarHBondContact O-N 2.98Å
369T50.5Low53Low119 Ų119126.9 Ų126.973%0.7371%0.712SS**  trans-73.2108.6168.8-55.90000110.2G367 K371G367-T369 PolarHBondContact O-N 3.35Å; G367-T369 VanDerWaalsContact O-N 3.11Å; T369-K371 VanDerWaalsContact C-N 3.34Å; T369-K371 HydrophobicContact CG2-CG 4.41Å; T369-K371 PolarHBondContact O-N 3.06Å
370I52.8Low51.6Low151 Ų151128.5 Ų128.577%0.77471%0.708SS**  trans-70.390.3174.6-57.2173.4000109.2C368 L372C368-I370 PolarHBondContact O-N 2.98Å; I370-L372 HydrophobicContact CG2-CD2 4.39Å; I370-L372 PolarHBondContact O-N 3.45Å
371K50.2Low50.2Low181 Ų181129.5 Ų129.579%0.78771%0.714SS**  trans-74.7104.3164-68.4-173.5178.3-177.20108T369 N373T369-K371 VanDerWaalsContact C-N 3.34Å; T369-K371 HydrophobicContact CG2-CG 4.41Å; T369-K371 PolarHBondContact O-N 3.06Å; K371-N373 PolarHBondContact O-N 2.92Å
372L44.5Very low48.4Very low145 Ų145134.2 Ų134.276%0.75973%0.726SS**  trans-62.7101.9165-70175.8000107.5I370 E374I370-L372 HydrophobicContact CG2-CD2 4.39Å; I370-L372 PolarHBondContact O-N 3.45Å; L372-E374 VanDerWaalsContact C-N 3.29Å; L372-E374 PolarHBondContact O-N 3.4Å
373N39.5Very low47Very low134 Ų134136.1 Ų136.172%0.71774%0.736SS**  trans-75.787.4177.8-161.444.7000108K371 R375K371-N373 PolarHBondContact O-N 2.92Å; N373-R375 PolarHBondContact O-N 2.75Å
374E44.5Very low45.3Very low169 Ų169136.8 Ų136.879%0.7974%0.739SS**  trans-51.5125.4164.3-65.3-162.6163.900107.3L372 T376L372-E374 VanDerWaalsContact C-N 3.29Å; L372-E374 PolarHBondContact O-N 3.4Å; E374-T376 VanDerWaalsContact C-N 3.33Å; E374-T376 PolarHBondContact O-N 3.03Å
375R37.3Very low44Very low237 Ų237136.7 Ų136.789%0.89475%0.745SS**  trans-68.692.8-169.4-73.9-178.9174178.8-2.9109.5N373 P377N373-R375 PolarHBondContact O-N 2.75Å; R375-P377 WeakPolarHBondContact O-CD 3.04Å; R375-P377 VanDerWaalsContact O-N 3.14Å
376T40.3Very low42.7Very low113 Ų113139.8 Ų139.869%0.69376%0.76SS**PPolyproline II helixtrans-50.5118.5161.120.60000107.5E374 A378E374-T376 VanDerWaalsContact C-N 3.33Å; E374-T376 PolarHBondContact O-N 3.03Å; T376-A378 PolarHBondContact O-N 3.15Å
377P40.7Very low41.8Very low122 Ų122137.6 Ų137.679%0.79276%0.761SS**PPolyproline II helixtrans-60.4128.9-175.722.7-32.2000108.9R375 T379R375-P377 WeakPolarHBondContact O-CD 3.04Å; R375-P377 VanDerWaalsContact O-N 3.14Å; P377-T379 PolarHBondContact O-N 2.78Å
378A36.8Very low40.8Very low94 Ų94140.1 Ų140.178%0.77776%0.757SS**PPolyproline II helixtrans-59.8136-168.300000111.5T376 C380T376-A378 PolarHBondContact O-N 3.15Å; A378-C380 VanDerWaalsContact C-N 3.33Å; A378-C380 PolarHBondContact O-N 2.93Å
379T32.7Very low40.6Very low143 Ų143140.1 Ų140.188%0.87775%0.754SS**  trans-66.288.5178.1-46.30000110.2P377P377-T379 PolarHBondContact O-N 2.78Å
380C36Very low40.7Very low121 Ų121138.8 Ų138.882%0.81875%0.746SS**  trans-90128.2170.9-163.40000109.1A378 K382A378-C380 VanDerWaalsContact C-N 3.33Å; A378-C380 PolarHBondContact O-N 2.93Å; C380-K382 PolarHBondContact O-N 2.85Å
381D35.5Very low40.6Very low122 Ų122139 Ų13965%0.65274%0.743SS**  trans-68.2124.3-175.1-99.4-66.2000112.8L383D381-L383 PolarHBondContact O-N 2.86Å; D381-L383 VanDerWaalsContact O-N 3.15Å
382K33Very low40.6Very low178 Ų178137.2 Ų137.277%0.77474%0.736SS**  trans41.759.4144.1-58.3174.8-171.81660117.1C380C380-K382 PolarHBondContact O-N 2.85Å
383L34.1Very low41.6Very low175 Ų175132.5 Ų132.592%0.91672%0.715SS**  trans-108.4127.2145.5-83.7166000108.9D381D381-L383 PolarHBondContact O-N 2.86Å; D381-L383 VanDerWaalsContact O-N 3.15Å
384H35Very low42.6Very low168 Ų168132.2 Ų132.278%0.77871%0.709SS**  trans-78.3159.4-170.5-86.3-103.8000112.7
385T36.2Very low43.8Very low117 Ų117130 Ų13072%0.71870%0.702SS**SBendtrans75.8139.4159.433.40000120
386D41.2Very low45.8Very low119 Ų119123.9 Ų123.964%0.63668%0.683SS**  trans82.43.8151.7-57.1-5.5000123N388 T389D386-N388 PolarHBondContact O-N 2.97Å; D386-T389 PolarHBondContact O-N 3.49Å; D386-T389 PolarHBondContact O-OG1 2.94Å
387T42.5Very low47.6Very low120 Ų120126 Ų12674%0.73668%0.679SS**G310 helixtrans-60-26.5168.3510000114.3T389 V390T387-T389 PolarHBondContact O-N 2.9Å; T387-V390 PolarHBondContact O-N 3.44Å
388N41.5Very low49.5Very low126 Ų126126.2 Ų126.267%0.67467%0.669SS**G310 helixtrans-61.9-2.9179.3-98.4-49.9000115.5D386 K392D386-N388 PolarHBondContact O-N 2.97Å; N388-K392 WeakPolarHBondContact O-CD 3.43Å
389T48.9Very low51.9Low88 Ų88128.4 Ų128.454%0.5466%0.657SS.*G310 helixtrans-89.9-33.3177.7570000113.1D386 T387 S393D386-T389 PolarHBondContact O-N 3.49Å; D386-T389 PolarHBondContact O-OG1 2.94Å; T387-T389 PolarHBondContact O-N 2.9Å; T389-S393 PolarHBondContact O-N 2.79Å; T389-S393 VanDerWaalsContact O-N 3.12Å
390V51Low54.5Low92 Ų92126.6 Ų126.656%0.55864%0.639SS**Hα-helixtrans-76.4-51.7-166.7-176.30000112.1T387 K392 S393 E394T387-V390 PolarHBondContact O-N 3.44Å; V390-K392 VanDerWaalsContact C-N 3.29Å; V390-K392 PolarHBondContact O-N 3.03Å; V390-S393 WeakPolarHBondContact O-CA 3.35Å; V390-S393 VanDerWaalsContact O-CB 3.31Å; V390-S393 WeakPolarHBondContact O-CB 3.44Å; V390-S393 PolarHBondContact O-N 3.4Å; V390-S393 PolarHBondContact O-OG 2.92Å; V390-E394 PolarHBondContact O-N 2.84Å
391E50.4Low56.9Low155 Ų155125.3 Ų125.372%0.72462%0.623SS**Hα-helixtrans-63-36.9178.1-65.2-172.7157.600112.1S393 E394 L395E391-S393 PolarHBondContact O-N 2.92Å; E391-E394 PolarHBondContact O-N 3.38Å; E391-L395 PolarHBondContact O-N 3.17Å
392K51Low59.6Low144 Ų144124.6 Ų124.663%0.62662%0.618SS**Hα-helixtrans-59.4-37.2170.9-74.8-173.7-177.8172.80111.4N388 V390 Q396N388-K392 WeakPolarHBondContact O-CD 3.43Å; V390-K392 VanDerWaalsContact C-N 3.29Å; V390-K392 PolarHBondContact O-N 3.03Å; K392-Q396 WeakPolarHBondContact O-CB 3.35Å; K392-Q396 PolarHBondContact O-N 2.88Å
393S65.1Low62.4Low46 Ų46120.8 Ų120.832%0.32261%0.607SS.*Hα-helixtrans-66.5-36.2177.286.40000112.9T389 V390 E391 Q396 R397T389-S393 PolarHBondContact O-N 2.79Å; T389-S393 VanDerWaalsContact O-N 3.12Å; V390-S393 WeakPolarHBondContact O-CA 3.35Å; V390-S393 VanDerWaalsContact O-CB 3.31Å; V390-S393 WeakPolarHBondContact O-CB 3.44Å; V390-S393 PolarHBondContact O-N 3.4Å; V390-S393 PolarHBondContact O-OG 2.92Å; E391-S393 PolarHBondContact O-N 2.92Å; S393-Q396 PolarHBondContact O-N 3.29Å; S393-R397 WeakPolarHBondContact O-CG 3.49Å; S393-R397 PolarHBondContact O-N 3.04Å
394E61.3Low65.1Low128 Ų128120 Ų12060%0.59859%0.592SS**Hα-helixtrans-73.1-43.5177.5-65.6-135.4127.500112.3V390 E391 Q396 R397 H398V390-E394 PolarHBondContact O-N 2.84Å; E391-E394 PolarHBondContact O-N 3.38Å; E394-Q396 VanDerWaalsContact C-N 3.26Å; E394-Q396 PolarHBondContact O-N 3.44Å; E394-R397 PolarHBondContact O-N 2.88Å; E394-H398 PolarHBondContact O-N 3.28Å
395L70.4Confident67.7Low121 Ų121116.3 Ų116.363%0.63458%0.576SS**Hα-helixtrans-63.7-33.7172.8-69.9175.4000112E391 R399E391-L395 PolarHBondContact O-N 3.17Å; L395-R399 PolarHBondContact O-N 3.18Å
396Q79.3Confident70.3Confident109 Ų109115.3 Ų115.351%0.50957%0.57SS.*Hα-helixtrans-67.1-45.7173.1-16676.51.300111.3K392 S393 E394 H398 R399 E400K392-Q396 WeakPolarHBondContact O-CB 3.35Å; K392-Q396 PolarHBondContact O-N 2.88Å; S393-Q396 PolarHBondContact O-N 3.29Å; E394-Q396 VanDerWaalsContact C-N 3.26Å; E394-Q396 PolarHBondContact O-N 3.44Å; Q396-H398 PolarHBondContact O-N 3.22Å; Q396-R399 PolarHBondContact O-N 3.16Å; Q396-E400 WeakPolarHBondContact O-CB 3.4Å; Q396-E400 PolarHBondContact O-N 3.06Å
397R77.6Confident72.7Confident158 Ų158113.8 Ų113.860%0.59656%0.559SS**Hα-helixtrans-57.9-45.5173.2-73.8175.3-159.2-109.79.6111.6S393 E394 R399 E400 I401S393-R397 WeakPolarHBondContact O-CG 3.49Å; S393-R397 PolarHBondContact O-N 3.04Å; E394-R397 PolarHBondContact O-N 2.88Å; R397-R399 VanDerWaalsContact C-N 3.32Å; R397-R399 PolarHBondContact O-N 2.86Å; R397-E400 PolarHBondContact O-N 3.12Å; R397-I401 VanDerWaalsContact O-CG1 3.26Å; R397-I401 WeakPolarHBondContact O-CG1 3.32Å; R397-I401 PolarHBondContact O-N 2.99Å
398H80.1Confident74.8Confident127 Ų127112.9 Ų112.959%0.58855%0.548SS*.Hα-helixtrans-63.1-38.6179.4-102.5-67.8000112.4E394 Q396 L402E394-H398 PolarHBondContact O-N 3.28Å; Q396-H398 PolarHBondContact O-N 3.22Å; H398-L402 WeakPolarHBondContact O-CG 3.34Å; H398-L402 PolarHBondContact O-N 3.41Å
399R88.1Confident77Confident140 Ų140111.8 Ų111.853%0.52854%0.539SS..Hα-helixtrans-65.8-47172.1-168.3-176.4-62.8132.40.7111.7L395 Q396 R397 I401 L402 D403L395-R399 PolarHBondContact O-N 3.18Å; Q396-R399 PolarHBondContact O-N 3.16Å; R397-R399 VanDerWaalsContact C-N 3.32Å; R397-R399 PolarHBondContact O-N 2.86Å; R399-I401 VanDerWaalsContact C-N 3.29Å; R399-I401 PolarHBondContact O-N 3.17Å; R399-L402 WeakPolarHBondContact O-CB 3.39Å; R399-L402 PolarHBondContact O-N 3.36Å; R399-D403 PolarHBondContact O-N 3.37Å
400E86.8Confident79Confident104 Ų104113.5 Ų113.549%0.48654%0.536SS..Hα-helixtrans-60.4-36.5179.7-170.7-178.5-174.900112.4Q396 R397 R404Q396-E400 WeakPolarHBondContact O-CB 3.4Å; Q396-E400 PolarHBondContact O-N 3.06Å; R397-E400 PolarHBondContact O-N 3.12Å; E400-R404 WeakPolarHBondContact O-CB 3.41Å; E400-R404 PolarHBondContact O-N 2.76Å; E400-R404 IonicContact OE1-NH1 2.79Å
401I86.7Confident80.8Confident94 Ų94114.5 Ų114.548%0.48254%0.536SS..Hα-helixtrans-64.2-43.1173.2-71163.7000111.3R397 R399 R404 I405R397-I401 VanDerWaalsContact O-CG1 3.26Å; R397-I401 WeakPolarHBondContact O-CG1 3.32Å; R397-I401 PolarHBondContact O-N 2.99Å; R399-I401 VanDerWaalsContact C-N 3.29Å; R399-I401 PolarHBondContact O-N 3.17Å; I401-R404 WeakPolarHBondContact O-CB 2.94Å; I401-R404 PolarHBondContact O-N 3.11Å; I401-I405 HydrophobicContact CG2-CD1 4.24Å; I401-I405 WeakPolarHBondContact O-CG1 3.38Å; I401-I405 PolarHBondContact O-N 3.35Å
402L91Very high82.2Confident107 Ų107111 Ų11156%0.5653%0.525SS*.Hα-helixtrans-67.1-44.3178.2-69.4169.5000111.6H398 R399 R404 I405 V406H398-L402 WeakPolarHBondContact O-CG 3.34Å; H398-L402 PolarHBondContact O-N 3.41Å; R399-L402 WeakPolarHBondContact O-CB 3.39Å; R399-L402 PolarHBondContact O-N 3.36Å; L402-R404 VanDerWaalsContact C-N 3.27Å; L402-R404 PolarHBondContact O-N 2.68Å; L402-I405 PolarHBondContact O-N 3.32Å; L402-I405 VanDerWaalsContact O-N 3.11Å; L402-V406 WeakPolarHBondContact O-CG2 3.42Å; L402-V406 PolarHBondContact O-N 2.97Å
403D91.4Very high83.5Confident99 Ų99110.2 Ų110.253%0.52952%0.522SS..Hα-helixtrans-60.2-38.3174.4-70.1-31.5000111.2R399 I405 V406 E407R399-D403 PolarHBondContact O-N 3.37Å; D403-I405 VanDerWaalsContact C-N 3.33Å; D403-I405 PolarHBondContact O-N 2.78Å; D403-V406 PolarHBondContact O-N 2.88Å; D403-E407 WeakPolarHBondContact O-CB 3.34Å; D403-E407 PolarHBondContact O-N 3.3Å
404R92.1Very high84.1Confident159 Ų159112.1 Ų112.160%0.653%0.525SS*.Hα-helixtrans-58.5-42173.6-139.374168-138.3-0.7112.5E400 I401 L402 I408E400-R404 WeakPolarHBondContact O-CB 3.41Å; E400-R404 PolarHBondContact O-N 2.76Å; E400-R404 IonicContact OE1-NH1 2.79Å; I401-R404 WeakPolarHBondContact O-CB 2.94Å; I401-R404 PolarHBondContact O-N 3.11Å; L402-R404 VanDerWaalsContact C-N 3.27Å; L402-R404 PolarHBondContact O-N 2.68Å; R404-I408 WeakPolarHBondContact O-CB 3.45Å; R404-I408 WeakPolarHBondContact O-CD1 3.49Å; R404-I408 VanDerWaalsContact O-CG1 3.22Å; R404-I408 WeakPolarHBondContact O-CG1 3.22Å; R404-I408 PolarHBondContact O-N 3.22Å
405I89.3Confident84.4Confident89 Ų89108.7 Ų108.746%0.45652%0.519SS..Hα-helixtrans-68.2-42.5179.6-67.3163.1000110.3I401 L402 D403 I408 E409I401-I405 HydrophobicContact CG2-CD1 4.24Å; I401-I405 WeakPolarHBondContact O-CG1 3.38Å; I401-I405 PolarHBondContact O-N 3.35Å; L402-I405 PolarHBondContact O-N 3.32Å; L402-I405 VanDerWaalsContact O-N 3.11Å; D403-I405 VanDerWaalsContact C-N 3.33Å; D403-I405 PolarHBondContact O-N 2.78Å; I405-I408 PolarHBondContact O-N 3.24Å; I405-E409 PolarHBondContact O-N 2.95Å
406V90.6Very high83.3Confident96 Ų96107.2 Ų107.258%0.58252%0.518SS*.Hα-helixtrans-64.8-41.2176.6175.80000111.7L402 D403 E409 R410L402-V406 WeakPolarHBondContact O-CG2 3.42Å; L402-V406 PolarHBondContact O-N 2.97Å; D403-V406 PolarHBondContact O-N 2.88Å; V406-E409 PolarHBondContact O-N 3.35Å; V406-R410 WeakPolarHBondContact O-CB 3.43Å; V406-R410 PolarHBondContact O-N 3.09Å
407E90.7Very high82.1Confident88 Ų88110 Ų11041%0.41153%0.528SS..Hα-helixtrans-62.4-44.3173.2-177.190.5-88.100111.3D403 E409 R410 M411D403-E407 WeakPolarHBondContact O-CB 3.34Å; D403-E407 PolarHBondContact O-N 3.3Å; E407-E409 PolarHBondContact O-N 3.31Å; E407-R410 CarbonylContact O-C 3.6Å; E407-R410 WeakPolarHBondContact O-CB 3.28Å; E407-R410 PolarHBondContact O-N 2.93Å; E407-R410 VanDerWaalsContact O-N 3.15Å; E407-R410 IonicContact OE1-CZ 3.16Å; E407-R410 VanDerWaalsContact OE1-CZ 3.22Å; E407-R410 IonicContact OE1-NE 2.71Å; E407-R410 PolarHBondContact OE1-NE 3.18Å; E407-R410 IonicContact OE1-NH2 3.36Å; E407-R410 PolarHBondContact OE1-NH2 3.2Å; E407-M411 HydrophobicContact CG-CG 4.46Å; E407-M411 HydrophobicContact CG-SD 4.25Å; E407-M411 WeakPolarHBondContact O-CB 3.34Å; E407-M411 WeakPolarHBondContact O-CG 3.32Å; E407-M411 PolarHBondContact O-N 2.75Å
408I86.7Confident80.6Confident100 Ų100111.1 Ų111.151%0.51353%0.533SS..Hα-helixtrans-59.4-48.1176.1-72.4163.4000110.5R404 I405 R410 M411 T412R404-I408 WeakPolarHBondContact O-CB 3.45Å; R404-I408 WeakPolarHBondContact O-CD1 3.49Å; R404-I408 VanDerWaalsContact O-CG1 3.22Å; R404-I408 WeakPolarHBondContact O-CG1 3.22Å; R404-I408 PolarHBondContact O-N 3.22Å; I405-I408 PolarHBondContact O-N 3.24Å; I408-R410 VanDerWaalsContact C-N 3.31Å; I408-R410 PolarHBondContact O-N 3.44Å; I408-M411 PolarHBondContact O-N 2.92Å; I408-T412 PolarHBondContact O-N 3.43Å; I408-T412 PolarHBondContact O-OG1 2.95Å; I408-T412 VanDerWaalsContact O-OG1 3.05Å
409E89Confident78.7Confident103 Ų103112.7 Ų112.748%0.48154%0.542SS..Hα-helixtrans-58.5-41.9174.2-80.7-158.5-169.900112.5I405 V406 E407 T412 K413I405-E409 PolarHBondContact O-N 2.95Å; V406-E409 PolarHBondContact O-N 3.35Å; E407-E409 PolarHBondContact O-N 3.31Å; E409-T412 PolarHBondContact O-N 2.75Å; E409-K413 WeakPolarHBondContact O-CB 3.5Å; E409-K413 WeakPolarHBondContact O-CD 3.44Å; E409-K413 WeakPolarHBondContact O-CG 3.26Å; E409-K413 PolarHBondContact O-N 2.64Å; E409-K413 IonicContact OE2-NZ 3.15Å; E409-K413 PolarHBondContact OE2-NZ 3.02Å
410R90.7Very high76.4Confident125 Ų125112.2 Ų112.247%0.47255%0.55SS..Hα-helixtrans-64.1-42178.6-166.9-174.976.393.1-1.9111.2V406 E407 I408 K413 Q414V406-R410 WeakPolarHBondContact O-CB 3.43Å; V406-R410 PolarHBondContact O-N 3.09Å; E407-R410 CarbonylContact O-C 3.6Å; E407-R410 WeakPolarHBondContact O-CB 3.28Å; E407-R410 PolarHBondContact O-N 2.93Å; E407-R410 VanDerWaalsContact O-N 3.15Å; E407-R410 IonicContact OE1-CZ 3.16Å; E407-R410 VanDerWaalsContact OE1-CZ 3.22Å; E407-R410 IonicContact OE1-NE 2.71Å; E407-R410 PolarHBondContact OE1-NE 3.18Å; E407-R410 IonicContact OE1-NH2 3.36Å; E407-R410 PolarHBondContact OE1-NH2 3.2Å; I408-R410 VanDerWaalsContact C-N 3.31Å; I408-R410 PolarHBondContact O-N 3.44Å; R410-K413 PolarHBondContact O-N 2.6Å; R410-Q414 WeakPolarHBondContact O-CB 3.28Å; R410-Q414 WeakPolarHBondContact O-CG 3.48Å; R410-Q414 PolarHBondContact O-N 3.25Å
411M88.6Confident74.1Confident112 Ų112114.3 Ų114.355%0.55256%0.563SS**Hα-helixtrans-64.2-44.9174.5-74.3-179.265.300111.5E407 I408 Q414 A415E407-M411 HydrophobicContact CG-CG 4.46Å; E407-M411 HydrophobicContact CG-SD 4.25Å; E407-M411 WeakPolarHBondContact O-CB 3.34Å; E407-M411 WeakPolarHBondContact O-CG 3.32Å; E407-M411 PolarHBondContact O-N 2.75Å; I408-M411 PolarHBondContact O-N 2.92Å; M411-Q414 PolarHBondContact O-N 3.1Å; M411-A415 WeakPolarHBondContact O-CB 3.12Å; M411-A415 PolarHBondContact O-N 3.49Å
412T79Confident71.7Confident81 Ų81114.7 Ų114.750%0.49757%0.574SS.*Hα-helixtrans-60.8-46.7175.3-55.40000111.1I408 E409 Q414 A415 C416I408-T412 PolarHBondContact O-N 3.43Å; I408-T412 PolarHBondContact O-OG1 2.95Å; I408-T412 VanDerWaalsContact O-OG1 3.05Å; E409-T412 PolarHBondContact O-N 2.75Å; T412-Q414 VanDerWaalsContact C-N 3.33Å; T412-Q414 PolarHBondContact O-N 3.06Å; T412-A415 PolarHBondContact O-N 2.79Å; T412-A415 VanDerWaalsContact O-N 3.17Å; T412-C416 PolarHBondContact O-N 3.28Å; T412-C416 PolarHBondContact O-SG 3.09Å; T412-C416 VanDerWaalsContact O-SG 3.34Å
413K79.1Confident68.9Low129 Ų129116 Ų11656%0.56159%0.587SS**Hα-helixtrans-60.9-39176.3-70.7162-170.9166.40112E409 R410 K417E409-K413 WeakPolarHBondContact O-CB 3.5Å; E409-K413 WeakPolarHBondContact O-CD 3.44Å; E409-K413 WeakPolarHBondContact O-CG 3.26Å; E409-K413 PolarHBondContact O-N 2.64Å; E409-K413 IonicContact OE2-NZ 3.15Å; E409-K413 PolarHBondContact OE2-NZ 3.02Å; R410-K413 PolarHBondContact O-N 2.6Å; K413-K417 PolarHBondContact O-N 2.8Å
414Q78.2Confident66.2Low85 Ų85114.4 Ų114.440%0.39759%0.593SS.*Hα-helixtrans-71.5-34173.5-77.7-162.5-13.700113.9R410 M411 T412 K417 R418R410-Q414 WeakPolarHBondContact O-CB 3.28Å; R410-Q414 WeakPolarHBondContact O-CG 3.48Å; R410-Q414 PolarHBondContact O-N 3.25Å; M411-Q414 PolarHBondContact O-N 3.1Å; T412-Q414 VanDerWaalsContact C-N 3.33Å; T412-Q414 PolarHBondContact O-N 3.06Å; Q414-K417 PolarHBondContact O-N 3.21Å; Q414-R418 PolarHBondContact O-N 3.1Å
415A66.4Low63.2Low57 Ų57113 Ų11347%0.47160%0.602SS.*Hα-helixtrans-66.3-45.3176.800000110.8M411 T412 K417 R418M411-A415 WeakPolarHBondContact O-CB 3.12Å; M411-A415 PolarHBondContact O-N 3.49Å; T412-A415 PolarHBondContact O-N 2.79Å; T412-A415 VanDerWaalsContact O-N 3.17Å; A415-K417 PolarHBondContact O-N 3.34Å; A415-R418 PolarHBondContact O-N 2.82Å; A415-R418 VanDerWaalsContact O-N 3.1Å
416C47.5Very low60.5Low90 Ų90114.2 Ų114.261%0.60862%0.618SS**Hα-helixtrans-57-38.9172.3-64.80000112.1T412 R418T412-C416 PolarHBondContact O-N 3.28Å; T412-C416 PolarHBondContact O-SG 3.09Å; T412-C416 VanDerWaalsContact O-SG 3.34Å; C416-R418 VanDerWaalsContact C-N 3.3Å; C416-R418 PolarHBondContact O-N 2.85Å
417K53.6Low57.6Low166 Ų166116.6 Ų116.672%0.72263%0.628SS**THydrogen-bonded Turntrans-80.80.6179.1-142.9-177.9-175.2-175.50115.1K413 Q414 A415K413-K417 PolarHBondContact O-N 2.8Å; Q414-K417 PolarHBondContact O-N 3.21Å; A415-K417 PolarHBondContact O-N 3.34Å
418R48Very low54.7Low183 Ų183116.5 Ų116.569%0.69164%0.642SS**THydrogen-bonded Turntrans-95.7-1.7173.2-85.4-170.1174.3100.5-4.3113.9Q414 A415 C416Q414-R418 PolarHBondContact O-N 3.1Å; A415-R418 PolarHBondContact O-N 2.82Å; A415-R418 VanDerWaalsContact O-N 3.1Å; C416-R418 VanDerWaalsContact C-N 3.3Å; C416-R418 PolarHBondContact O-N 2.85Å
419M40.2Very low52.1Low159 Ų159120.1 Ų120.178%0.78366%0.662SS**  trans-85.5-9.9174-59.8-143-54.900113.6I421M419-I421 PolarHBondContact O-N 2.84Å
420D38.1Very low49.2Very low130 Ų130123 Ų12370%0.69568%0.68SS**  trans-75.365.4167.9-61.5-34.9000110.2S422D420-S422 VanDerWaalsContact C-N 3.34Å; D420-S422 PolarHBondContact O-N 3.47Å
421I39.4Very low46.4Very low148 Ų148120.4 Ų120.476%0.75969%0.693SS**  trans-71.594.7172.9-61.7-178.9000107.8M419 V423M419-I421 PolarHBondContact O-N 2.84Å; I421-V423 PolarHBondContact O-N 2.92Å
422S35.1Very low43.6Very low103 Ų103119.3 Ų119.372%0.7270%0.702SS**  trans-51.4129.9172.1-175.10000110.8D420 G424D420-S422 VanDerWaalsContact C-N 3.34Å; D420-S422 PolarHBondContact O-N 3.47Å; S422-G424 VanDerWaalsContact C-N 3.34Å; S422-G424 PolarHBondContact O-N 2.98Å
423V34.2Very low41.1Very low135 Ų135120.8 Ų120.882%0.81871%0.711SS**  trans-71.693.3170.9178.80000107.6I421 T425I421-V423 PolarHBondContact O-N 2.92Å; V423-T425 PolarHBondContact O-N 2.82Å; V423-T425 VanDerWaalsContact O-N 3.16Å
424G34.2Very low38.9Very low64 Ų64122.9 Ų122.966%0.6672%0.722SS**  trans-64.1112.1-179.100000111.5S422 S426S422-G424 VanDerWaalsContact C-N 3.34Å; S422-G424 PolarHBondContact O-N 2.98Å; G424-S426 PolarHBondContact O-N 3.29Å
425T28.5Very low36.6Very low129 Ų129123.3 Ų123.379%0.79173%0.734SS**  trans-66.7111.6169.149.80000109.9V423V423-T425 PolarHBondContact O-N 2.82Å; V423-T425 VanDerWaalsContact O-N 3.16Å
426S33.7Very low34.7Very low115 Ų115128.1 Ų128.180%0.80475%0.752SS**  trans-108.6113.317060.50000109.7G424G424-S426 PolarHBondContact O-N 3.29Å
427D28.7Very low33.9Very low147 Ų147129.6 Ų129.679%0.78676%0.764SS**  trans-74156.9-170.9-69.1-66.4000115.4
428A29.6Very low32.7Very low86 Ų86127.7 Ų127.771%0.71177%0.766SS**  trans47.588.7146.700000119
429L32Very low31.8Very low175 Ų175125 Ų12592%0.91677%0.77SS**  trans-121.891.2147.4-102.7168.7000110.1G431L429-G431 PolarHBondContact O-N 2.9Å
430N29.3Very low31.3Very low163 Ų163124.9 Ų124.987%0.87277%0.767SS**  trans-74.4117.8171.4-74.2-37.9000109.5
431G30.4Very low30.8Very low71 Ų71124.7 Ų124.773%0.73277%0.771SS**  trans-158.986-17400000114.8L429L429-G431 PolarHBondContact O-N 2.9Å
432A29.5Very low30Very low90 Ų90128.1 Ų128.174%0.74478%0.776SS**  trans25.3106.2153.300000120.2
433T27.1Very low29.7Very low111 Ų111128.4 Ų128.468%0.68178%0.778SS**  31.1115.1126.955.50000119.9
434H32.6Very low29.4Very low174 Ų174133.1 Ų133.181%0.80678%0.781SS**  172.3146.998.4-87.2-64.4000114.5
435S29.5Very low29.2Very low93 Ų93136 Ų13665%0.6579%0.788SS**  trans51.5114.6151600000122.8
436N27.3Very low29.3Very low159 Ų159137.4 Ų137.485%0.8579%0.79SS**  62.4105.5124.6-51.3-9.1000121.1
437S30.3Very low29.1Very low121 Ų121139.3 Ų139.385%0.84679%0.79SS**  -158.9154.511860.30000112.4
438T28.9Very low29.2Very low125 Ų125141.9 Ų141.977%0.76779%0.794SS**PPolyproline II helixtrans-75.3124.8-167.8-560000114.3
439T28.6Very low29.2Very low126 Ų126144.8 Ų144.877%0.77380%0.798SS**PPolyproline II helixtrans-73125.7164.9-52.50000110.8
440Q29.5Very low29Very low157 Ų157141.5 Ų141.573%0.73480%0.795SS**PPolyproline II helixtrans-102.8128.6168.3-67.2-167.313.600111.3
441T27.4Very low29.1Very low127 Ų127141.7 Ų141.778%0.77979%0.791SS**  trans-91.9113.7-174.7-55.40000111.4S443T441-S443 PolarHBondContact O-N 3.02Å
442Y23.4Very low28.9Very low219 Ų219145.2 Ų145.286%0.85980%0.799SS**  trans-79.3104.7171.5-79.8-88.3000111.4
443S29.8Very low28.9Very low109 Ų109149.3 Ų149.376%0.76280%0.803SS**PPolyproline II helixtrans-87.7150.7170.852.10000111.9T441T441-S443 PolarHBondContact O-N 3.02Å
444R26.3Very low28.9Very low234 Ų234150.7 Ų150.788%0.88381%0.811SS**PPolyproline II helixtrans-82.4145.8-179.8-82.6178.6166.9168.3-4.4111.9
445P30Very low28.6Very low125 Ų125148.5 Ų148.581%0.81281%0.805SS**PPolyproline II helixtrans-71.7141.5175.430.6-34.9000111.6
446I31.4Very low28.6Very low159 Ų159152.3 Ų152.382%0.81582%0.817SS**PPolyproline II helixtrans-93.9135.6174.3-66.8171.7000109
447L29Very low28.6Very low155 Ų155151.9 Ų151.981%0.81281%0.809SS**PPolyproline II helixtrans-67.5136.6176-148.698.8000109.7
448K32Very low28.6Very low200 Ų200152.6 Ų152.687%0.8781%0.809SS**PPolyproline II helixtrans-101.5124.9175.6-70.1-173177.1-175.90110.5
449D29.6Very low28.4Very low148 Ų148154.4 Ų154.479%0.79181%0.814SS**PPolyproline II helixtrans-73.2139.6173.8-64.6-56000111.5
450A26.8Very low28.3Very low105 Ų105155 Ų15587%0.86882%0.817SS**  trans-92108.1179.300000110.6
451Q31.8Very low28.1Very low168 Ų168155 Ų15579%0.78582%0.822SS**  trans-98.6115.2169.7-69.1-170.2-7.900110.4Q453Q451-Q453 PolarHBondContact O-N 2.81Å
452T25.7Very low28.3Very low145 Ų145155.7 Ų155.789%0.8983%0.826SS**  trans-71.6119.1168.343.70000110.2
453Q28.9Very low28.4Very low176 Ų176151.9 Ų151.982%0.82282%0.816SS**  trans-118.4145.6160.8-68-167.60.600109.6Q451Q451-Q453 PolarHBondContact O-N 2.81Å
454T27.9Very low28.3Very low140 Ų140154.9 Ų154.986%0.85982%0.816SS**  trans-84.2133.6-170.143.20000112.5
455L25.7Very low28.3Very low128 Ų128152.5 Ų152.567%0.6781%0.812SS**  trans-64.8130.1175.3176156.2000111.8E457L455-E457 HydrophobicContact CD1-CG 4.42Å; L455-E457 HydrophobicContact CD2-CG 3.76Å; L455-E457 HydrophobicContact CG-CG 3.98Å
456L30.4Very low27.9Very low172 Ų172154.5 Ų154.590%0.90182%0.815SS**  trans-140.3113.8160.9-91.2172.7000107.6
457E28.2Very low27.5Very low150 Ų150152 Ų15270%0.70181%0.807SS**  trans-99.6121.7-174.8-66.1167163.100110.7L455L455-E457 HydrophobicContact CD1-CG 4.42Å; L455-E457 HydrophobicContact CD2-CG 3.76Å; L455-E457 HydrophobicContact CG-CG 3.98Å
458T28.9Very low27.5Very low137 Ų137153.9 Ų153.984%0.8481%0.812SS**  trans-148.670.1162.155.90000110.7
459D24.4Very low27Very low163 Ų163152.3 Ų152.387%0.87281%0.811SS**  trans-80119.1171.7-75.8-47.1000111.2
460V28.3Very low26.9Very low138 Ų138154 Ų15484%0.83681%0.814SS**  trans-133.6121.1164.6178.80000109.1T462V460-T462 PolarHBondContact O-N 2.74Å
461N24Very low27.1Very low158 Ų158154 Ų15485%0.84581%0.806SS**  trans-54.1135.1178.3-69.7-43.7000112.8
462T32.1Very low26.9Very low140 Ų140154.8 Ų154.886%0.85981%0.814SS**  trans-145.5135.8140.4-650000108.6V460V460-T462 PolarHBondContact O-N 2.74Å
463E24.3Very low27.1Very low139 Ų139153.5 Ų153.565%0.6581%0.811SS**  trans-88.6177.5-171.7-46.9161.293.600113.3
464K28.5Very low27.2Very low172 Ų172149.7 Ų149.775%0.74881%0.809SS**  trans87.3130.7148.7-69.6146.7-178.1153.90119.6
465K27.2Very low27.3Very low184 Ų184147 Ų14780%0.881%0.809SS**  trans96.171.3141.3-147174.3-175.3-1760119.3T467K465-T467 PolarHBondContact O-N 3.33Å
466L20Very low27.5Very low167 Ų167145 Ų14587%0.87481%0.812SS**  trans-30.7116.6136.7178.997000112.6
467T24.5Very low27.5Very low107 Ų107145.1 Ų145.166%0.65681%0.813SS**  trans-176.3166.7144.321.60000111.8K465K465-T467 PolarHBondContact O-N 3.33Å
468Q27.7Very low27.7Very low194 Ų194142.8 Ų142.891%0.90781%0.813SS**  trans72.1109.2171.4-68.5-175.4-70.400117.8
469I23.3Very low27.7Very low167 Ų167144.3 Ų144.386%0.85681%0.811SS**  trans-91.2142.1167.8-63.4154.6000107.4
470E26Very low27.6Very low185 Ų185148.9 Ų148.986%0.86482%0.816SS**  trans-121.4154.2156-94.5-161.1127.500110.8
471P32.3Very low27.7Very low105 Ų105150.6 Ų150.668%0.68281%0.812SS**  trans-93.3143.5-162.335.3-35000114.2
472L27.7Very low27.8Very low184 Ų184148.8 Ų148.896%0.96381%0.812SS**  trans-130.887.4163.8-94.6164.6000109.7
473S28Very low27.6Very low117 Ų117148.4 Ų148.482%0.81881%0.809SS**  trans-118.687.9176.760.80000111
474A32Very low27.7Very low96 Ų96146.2 Ų146.279%0.79382%0.815SS**  trans-137.687.7170.300000108.8
475G29.4Very low27.6Very low83 Ų83144 Ų14486%0.85682%0.815SS**  trans-77.1134.8179.500000111.9
476A31.3Very low27.5Very low88 Ų88138.4 Ų138.473%0.72781%0.81SS**  trans-149.460.517800000111.4S478A476-S478 PolarHBondContact O-N 2.91Å
477D29.7Very low28.1Very low174 Ų174137.4 Ų137.493%0.9381%0.811SS**  trans-59.7117.7171.8-72.5-48.2000110.5
478S31.8Very low28.3Very low100 Ų100136.9 Ų136.970%0.69981%0.812SS**  trans-136.8102.3172.847.10000110.6A476 W480A476-S478 PolarHBondContact O-N 2.91Å; S478-W480 PolarHBondContact O-N 2.76Å
479Q28.8Very low28.4Very low169 Ų169134.8 Ų134.879%0.7981%0.807SS**  trans-60.2132.5176.9-66.8175.9-35.800111K481Q479-K481 PolarHBondContact O-N 2.63Å
480W23.3Very low28.7Very low260 Ų260131.8 Ų131.899%0.98581%0.807SS**  trans-67.199.1166.7-65-7.4000109.8S478S478-W480 PolarHBondContact O-N 2.76Å
481K30.3Very low28.9Very low174 Ų174130.8 Ų130.876%0.75780%0.803SS**  trans-79.8130.3172.9-72.8-175.1175.9179.70110.2Q479 V483Q479-K481 PolarHBondContact O-N 2.63Å; K481-V483 PolarHBondContact O-N 2.89Å
482S26.4Very low28.8Very low119 Ų119130.5 Ų130.583%0.83281%0.809SS**  trans-61.6129.6174.6-173.80000110.9A484S482-A484 PolarHBondContact O-N 2.69Å
483V26.5Very low28.8Very low132 Ų132131.8 Ų131.880%0.880%0.802SS**  trans-89.691.3178.4-179.60000109.1K481 V485K481-V483 PolarHBondContact O-N 2.89Å; V483-V485 HydrophobicContact CG1-CG2 3.89Å
484A26.4Very low28.6Very low93 Ų93135.6 Ų135.677%0.76980%0.804SS**  trans-105.391.4167.100000109S482S482-A484 PolarHBondContact O-N 2.69Å
485V26.3Very low28.4Very low125 Ų125138 Ų13876%0.75881%0.809SS**  trans-85.5116.1172.7177.40000108.3V483V483-V485 HydrophobicContact CG1-CG2 3.89Å
486G26.3Very low28.3Very low68 Ų68138.7 Ų138.770%0.70181%0.806SS**  trans-75.6135.817300000111.5
487T32Very low28.2Very low145 Ų145138.8 Ų138.889%0.8981%0.807SS**  trans-9296.1164.752.40000108.5
488S28.4Very low28.3Very low97 Ų97136.5 Ų136.568%0.67880%0.8SS**  trans-79.1141.2176.750.90000112.2
489D29.5Very low28Very low149 Ų149139.2 Ų139.280%0.79781%0.806SS**  trans51.699.2142.6-48.4-29.1000118.5
490A30Very low28.3Very low104 Ų104136.8 Ų136.886%0.8680%0.803SS**  trans-91.8108.8160.400000109.8A492A490-A492 PolarHBondContact O-N 2.89Å; A490-A492 VanDerWaalsContact O-N 3.09Å
491E30Very low28.6Very low165 Ų165132.8 Ų132.877%0.77180%0.795SS**  trans-71.2100.7178-65.6-168.6131.100111.7Y493E491-Y493 PolarHBondContact O-N 3.34Å
492A30Very low28.4Very low98 Ų98133.6 Ų133.681%0.8180%0.802SS**  trans-82.2109.5173.800000110.9A490A490-A492 PolarHBondContact O-N 2.89Å; A490-A492 VanDerWaalsContact O-N 3.09Å
493Y27.4Very low28.7Very low211 Ų211136 Ų13683%0.82781%0.805SS**  trans-66133.8179.2-79-90.7000112.6E491E491-Y493 PolarHBondContact O-N 3.34Å
494K25.2Very low28.7Very low198 Ų198137.1 Ų137.186%0.86180%0.801SS**  trans-67.3132.5173.9-67.2175.6177.1175.90111.3
495V28.2Very low29Very low146 Ų146138.4 Ų138.489%0.88580%0.802SS**  trans-125.7118.1144.8-1790000106.6
496A26.2Very low29Very low98 Ų98137.7 Ų137.781%0.8180%0.797SS**  trans-102131.7178.700000109.7
497A30.3Very low29Very low89 Ų89139.8 Ų139.874%0.73680%0.802SS**  trans-129.498.6174.100000109.4D499A497-D499 PolarHBondContact O-N 2.91Å
498T31.5Very low28.7Very low127 Ų127136.6 Ų136.678%0.77979%0.79SS**  trans20.691.3150.754.70000117.9
499D25.4Very low28.5Very low156 Ų156142.6 Ų142.683%0.83480%0.798SS**  18.3116.7117-169.79.4000117.7A497A497-D499 PolarHBondContact O-N 2.91Å
500T33.7Very low28.5Very low118 Ų118144.5 Ų144.572%0.72480%0.799SS**  trans-148.7106.3162.6-10.30000112.8
501Q31.2Very low28.4Very low177 Ų177145.7 Ų145.783%0.82780%0.798SS**  trans60.3112.6143.9-68177.8-16.900120.4
502E25.1Very low28.4Very low190 Ų190145.2 Ų145.289%0.88880%0.796SS**  trans-39134.7159.2-51.6165.5139.600115
503L33.5Very low28.4Very low171 Ų171147.5 Ų147.590%0.89580%0.795SS**  trans-148119.8143.9-84.5-172.5000110.8
504E25.8Very low28.6Very low154 Ų154144.2 Ų144.272%0.7280%0.796SS**  trans-75.3137.5166.4-97.4-81.3137.200111T506E504-T506 PolarHBondContact OE2-N 3.23Å; E504-T506 PolarHBondContact OE2-OG1 3.49Å
505P32.4Very low28.9Very low121 Ų121142.7 Ų142.779%0.78680%0.796SS**  trans-123.593.7146.434-22.9000110.6
506T26.5Very low29Very low109 Ų109145.3 Ų145.367%0.66980%0.797SS**  trans-68.1144.2176.5-35.70000111.8E504E504-T506 PolarHBondContact OE2-N 3.23Å; E504-T506 PolarHBondContact OE2-OG1 3.49Å
507S25.8Very low29.3Very low113 Ų113145 Ų14579%0.7979%0.788SS**  trans71.9155.5167.989.60000116.3
508A26.8Very low29.3Very low78 Ų78143 Ų14365%0.64578%0.776SS**  cis-162.4159.4-22.300000110.2
509R25.1Very low29.7Very low222 Ų222141.7 Ų141.784%0.83877%0.773SS**  trans31.8107.7152.9-59.9172.3-175.3161.71.5117.6
510F28.1Very low30.3Very low189 Ų189143.2 Ų143.283%0.82977%0.767SS**  -178.4115.1110.3-92.6-62.8000110.4
511P28.8Very low30.8Very low129 Ų129145.7 Ų145.784%0.83877%0.767SS**  trans-96.191.6179.635-30.5000111.7
512E28.9Very low31.1Very low155 Ų155145.3 Ų145.372%0.72476%0.763SS**  trans-101.4151.7170.6-65.4-159.4155.600112.8
513N30.6Very low32.1Very low147 Ų147146.3 Ų146.379%0.78676%0.759SS**  trans61.649.6158-56.6-38000118.6L515N513-L515 PolarHBondContact O-N 3.48Å; N513-L515 VanDerWaalsContact O-N 3.16Å
514V32.3Very low32.9Very low142 Ų142143 Ų14386%0.86174%0.742SS**  trans-71.5103.4156-179.90000109.5
515L31Very low33.9Very low165 Ų165141.7 Ų141.786%0.86474%0.739SS**  trans-62.8135.4-178.5-166.470.7000112.1N513 S517N513-L515 PolarHBondContact O-N 3.48Å; N513-L515 VanDerWaalsContact O-N 3.16Å; L515-S517 PolarHBondContact O-N 2.87Å
516F31Very low34.3Very low202 Ų202142.2 Ų142.289%0.88673%0.731SS**  trans-6794-173.4-110.4-106.2000113.1G518F516-G518 PolarHBondContact O-N 2.97Å
517S32.7Very low35.2Very low91 Ų91140.4 Ų140.464%0.63672%0.723SS**  trans-75.555.8174.4-157.90000112.6L515L515-S517 PolarHBondContact O-N 2.87Å
518G30.1Very low35.9Very low47 Ų47142.8 Ų142.849%0.48572%0.719SS.*  trans-81.4-14.1-169.400000116.2F516 R520F516-G518 PolarHBondContact O-N 2.97Å; G518-R520 PolarHBondContact O-N 3.49Å
519S38.1Very low36.6Very low100 Ų100141.7 Ų141.770%0.69971%0.71SS**THydrogen-bonded Turntrans-75.6-16-164.455.20000116K521S519-K521 PolarHBondContact O-N 3.37Å
520R39.2Very low37.2Very low188 Ų188138.5 Ų138.571%0.70970%0.702SS**THydrogen-bonded Turntrans-69.2-35.3-174-59.2-170.9-171.4-164.31.9113.6G518 F522 R523G518-R520 PolarHBondContact O-N 3.49Å; R520-F522 VanDerWaalsContact C-N 3.26Å; R520-F522 PolarHBondContact O-N 3.15Å; R520-F522 VanDerWaalsContact O-N 3.1Å; R520-R523 PolarHBondContact O-N 3.48Å
521K43.1Very low38Very low169 Ų169132.6 Ų132.674%0.73569%0.688SS**Hα-helixtrans-65.7-17.3-168.5-66.6-170.3177.3-176.80115.7S519S519-K521 PolarHBondContact O-N 3.37Å
522F38.4Very low38.8Very low169 Ų169133.8 Ų133.874%0.74169%0.687SS**Hα-helixtrans-78.3-24.8178.7-86-81.2000114R520R520-F522 VanDerWaalsContact C-N 3.26Å; R520-F522 PolarHBondContact O-N 3.15Å; R520-F522 VanDerWaalsContact O-N 3.1Å
523R45.7Very low39.5Very low211 Ų211134.8 Ų134.880%0.79669%0.689SS**Hα-helixtrans-74-33177.2-61.3-174.479.6141.1-0.3111.6R520 L525 H526 S527R520-R523 PolarHBondContact O-N 3.48Å; R523-L525 PolarHBondContact O-N 2.79Å; R523-H526 PolarHBondContact O-N 2.79Å; R523-S527 PolarHBondContact O-N 3.05Å; R523-S527 VanDerWaalsContact O-N 3.14Å
524D49.8Very low40Very low101 Ų101130.9 Ų130.954%0.5467%0.673SS.*Hα-helixtrans-74.4-21.7-178.4-60.2-28.5000114.2S527 K528D524-S527 WeakPolarHBondContact CA-OG 3.18Å; D524-S527 PolarHBondContact O-OG 2.88Å; D524-S527 VanDerWaalsContact O-OG 3.12Å; D524-K528 PolarHBondContact O-N 3.26Å
525L48.2Very low40.9Very low128 Ų128128.6 Ų128.667%0.6767%0.669SS**Hα-helixtrans-73.6-40.5169.2-107.978.6000111.5R523 K528 A529R523-L525 PolarHBondContact O-N 2.79Å; L525-K528 PolarHBondContact O-N 2.88Å; L525-A529 PolarHBondContact O-N 3.42Å
526H39.4Very low41.8Very low132 Ų132127.8 Ų127.861%0.61166%0.661SS**Hα-helixtrans-70.3-35-179.7-97.3-82.7000113R523 A529 F530R523-H526 PolarHBondContact O-N 2.79Å; H526-A529 PolarHBondContact O-N 3.47Å; H526-F530 PolarHBondContact O-N 2.95Å
527S46.3Very low43.1Very low70 Ų70120.2 Ų120.249%0.4963%0.63SS.*Hα-helixtrans-63.8-41.7172.259.40000111.8R523 D524 F530 A531R523-S527 PolarHBondContact O-N 3.05Å; R523-S527 VanDerWaalsContact O-N 3.14Å; D524-S527 WeakPolarHBondContact CA-OG 3.18Å; D524-S527 PolarHBondContact O-OG 2.88Å; D524-S527 VanDerWaalsContact O-OG 3.12Å; S527-F530 PolarHBondContact O-N 3.37Å; S527-A531 WeakPolarHBondContact O-CB 3.13Å; S527-A531 PolarHBondContact O-N 3.14Å
528K39.9Very low45.2Very low164 Ų164121.2 Ų121.271%0.71363%0.628SS**Hα-helixtrans-68.1-30.6174.3-85.6-174.9172.5178.70114.3D524 L525 A531 L532D524-K528 PolarHBondContact O-N 3.26Å; L525-K528 PolarHBondContact O-N 2.88Å; K528-A531 PolarHBondContact O-N 2.85Å; K528-L532 PolarHBondContact O-N 2.83Å
529A41.3Very low47.4Very low55 Ų55124 Ų12446%0.45564%0.64SS.*Hα-helixtrans-64.7-40.6175.200000112.1L525 H526L525-A529 PolarHBondContact O-N 3.42Å; H526-A529 PolarHBondContact O-N 3.47Å
530F38.6Very low49.5Very low154 Ų154122.9 Ų122.968%0.67564%0.637SS**Hα-helixtrans-76.9-32.5175.8-84.1-84.4000113.4H526 S527 L532 F533H526-F530 PolarHBondContact O-N 2.95Å; S527-F530 PolarHBondContact O-N 3.37Å; F530-L532 PolarHBondContact O-N 2.94Å; F530-L532 VanDerWaalsContact O-N 3.11Å; F530-F533 CarbonylContact O-C 3.55Å; F530-F533 PolarHBondContact O-N 3.32Å
531A45.2Very low51.6Low65 Ų65116.6 Ų116.654%0.53762%0.622SS.*THydrogen-bonded Turntrans-66.1-8.6175.500000114.7S527 K528 S534S527-A531 WeakPolarHBondContact O-CB 3.13Å; S527-A531 PolarHBondContact O-N 3.14Å; K528-A531 PolarHBondContact O-N 2.85Å; A531-S534 PolarHBondContact O-OG 2.92Å
532L45.7Very low53.2Low154 Ų154115.1 Ų115.181%0.80661%0.612SS**THydrogen-bonded Turntrans-94.9-0.1170.1-104.4166.4000113.7K528 F530K528-L532 PolarHBondContact O-N 2.83Å; F530-L532 PolarHBondContact O-N 2.94Å; F530-L532 VanDerWaalsContact O-N 3.11Å
533F43.3Very low55.3Low177 Ų177111.5 Ų111.578%0.77660%0.597SS**SBendtrans-120.338.4170.3-75.7-81.1000111.3F530F530-F533 CarbonylContact O-C 3.55Å; F530-F533 PolarHBondContact O-N 3.32Å
534S41.4Very low57.5Low65 Ų65108.9 Ų108.946%0.45559%0.588SS.*  trans-54.5150.3165.8-53.10000110.7A531 E536A531-S534 PolarHBondContact O-OG 2.92Å; S534-E536 VanDerWaalsContact CB-OE2 3.27Å; S534-E536 WeakPolarHBondContact CB-OE2 3.27Å; S534-E536 PolarHBondContact O-N 2.73Å; S534-E536 VanDerWaalsContact O-N 3.11Å
535A50.8Low59.3Low94 Ų94109.8 Ų109.878%0.77758%0.584SS**THydrogen-bonded Turntrans-68.1-14.5-169.100000113.6D537A535-D537 VanDerWaalsContact C-N 3.3Å; A535-D537 PolarHBondContact O-N 2.85Å
536E50Low61.1Low148 Ų148109.1 Ų109.169%0.69258%0.576SS**THydrogen-bonded Turntrans-87.124.3-175.2-55.570.7-153.500113.5S534 D538S534-E536 VanDerWaalsContact CB-OE2 3.27Å; S534-E536 WeakPolarHBondContact CB-OE2 3.27Å; S534-E536 PolarHBondContact O-N 2.73Å; S534-E536 VanDerWaalsContact O-N 3.11Å; E536-D538 PolarHBondContact O-N 2.9Å
537D58.1Low63.7Low43 Ų43105.6 Ų105.623%0.2357%0.566CS.*  trans-71.777.7168.9-17642.7000110.8A535 R542 R545A535-D537 VanDerWaalsContact C-N 3.3Å; A535-D537 PolarHBondContact O-N 2.85Å; D537-R542 WeakPolarHBondContact OD2-CD 3.03Å; D537-R542 WeakPolarHBondContact OD2-CG 3.44Å; D537-R542 IonicContact OD2-CZ 3.16Å; D537-R542 IonicContact OD2-NE 2.82Å; D537-R545 IonicContact OD1-CZ 3.24Å; D537-R545 IonicContact OD1-NH1 2.91Å; D537-R545 PolarHBondContact OD1-NH1 3.3Å; D537-R545 IonicContact OD1-NH2 2.69Å; D537-R545 PolarHBondContact OD1-NH2 3.5Å; D537-R545 IonicContact OD2-CZ 3.66Å; D537-R545 IonicContact OD2-NH1 3.87Å; D537-R545 PolarHBondContact OD2-NH1 2.94Å; D537-R545 IonicContact OD2-NH2 3.94Å
538D77.3Confident66Low112 Ų112110.6 Ų110.660%0.59957%0.574SS**  trans-40.8141.9-177.9-92.9-36.2000113.4E536 A540 S541 R542E536-D538 PolarHBondContact O-N 2.9Å; D538-A540 PolarHBondContact O-N 2.91Å; D538-S541 WeakPolarHBondContact O-CA 3.12Å; D538-S541 WeakPolarHBondContact O-CB 3.43Å; D538-S541 PolarHBondContact O-N 3.47Å; D538-R542 PolarHBondContact O-N 2.84Å
539S75.8Confident68.5Low105 Ų105107.6 Ų107.673%0.73457%0.565SS**Hα-helixtrans-49.6-38.3175.6-64.10000112.3R542 E543S539-R542 PolarHBondContact O-N 2.78Å; S539-E543 VanDerWaalsContact O-CB 3.23Å; S539-E543 WeakPolarHBondContact O-CB 3.32Å; S539-E543 PolarHBondContact O-N 2.96Å
540A81.1Confident70.9Confident76 Ų76111 Ų11163%0.62857%0.566SS**Hα-helixtrans-65.6-45.8175.500000113.1D538 R542 E543 Y544D538-A540 PolarHBondContact O-N 2.91Å; A540-R542 VanDerWaalsContact C-N 3.31Å; A540-R542 PolarHBondContact O-N 3.25Å; A540-E543 PolarHBondContact O-N 3.44Å; A540-Y544 VanDerWaalsContact O-CB 3.28Å; A540-Y544 WeakPolarHBondContact O-CB 3.29Å; A540-Y544 PolarHBondContact O-N 2.96Å
541S83.6Confident73.5Confident57 Ų57105 Ų10540%0.39955%0.548SS..Hα-helixtrans-61.2-40.4175.3-67.40000111.8D538 R545D538-S541 WeakPolarHBondContact O-CA 3.12Å; D538-S541 WeakPolarHBondContact O-CB 3.43Å; D538-S541 PolarHBondContact O-N 3.47Å; S541-R545 WeakPolarHBondContact O-CB 3.37Å; S541-R545 PolarHBondContact O-N 2.92Å
542R76.9Confident75.8Confident138 Ų138105 Ų10552%0.52154%0.536SS..Hα-helixtrans-71-39.7179-143.6162.8-172155.61.1112.2D537 D538 S539 A540 K546D537-R542 WeakPolarHBondContact OD2-CD 3.03Å; D537-R542 WeakPolarHBondContact OD2-CG 3.44Å; D537-R542 IonicContact OD2-CZ 3.16Å; D537-R542 IonicContact OD2-NE 2.82Å; D538-R542 PolarHBondContact O-N 2.84Å; S539-R542 PolarHBondContact O-N 2.78Å; A540-R542 VanDerWaalsContact C-N 3.31Å; A540-R542 PolarHBondContact O-N 3.25Å; R542-K546 WeakPolarHBondContact O-CG 3.19Å; R542-K546 PolarHBondContact O-N 2.89Å; R542-K546 VanDerWaalsContact O-N 3.07Å
543E83.9Confident77.5Confident92 Ų92101.6 Ų101.643%0.4352%0.518SS..Hα-helixtrans-66.3-46.1172.6-170.667.1-116.700111.2S539 A540 R545 K546 S547 R550S539-E543 VanDerWaalsContact O-CB 3.23Å; S539-E543 WeakPolarHBondContact O-CB 3.32Å; S539-E543 PolarHBondContact O-N 2.96Å; A540-E543 PolarHBondContact O-N 3.44Å; E543-R545 VanDerWaalsContact C-N 3.33Å; E543-R545 PolarHBondContact O-N 3.35Å; E543-K546 WeakPolarHBondContact O-CB 3.34Å; E543-K546 PolarHBondContact O-N 3.43Å; E543-S547 WeakPolarHBondContact O-CB 3.08Å; E543-S547 PolarHBondContact O-N 3Å; E543-R550 IonicContact OE1-CZ 2.77Å; E543-R550 IonicContact OE1-NH1 3.6Å; E543-R550 PolarHBondContact OE1-NH1 3.16Å; E543-R550 VanDerWaalsContact OE1-NH1 3.1Å; E543-R550 IonicContact OE1-NH2 2.78Å; E543-R550 PolarHBondContact OE1-NH2 2.99Å
544Y90.3Very high79.5Confident156 Ų15696.1 Ų96.161%0.61251%0.506SS*.Hα-helixtrans-56.8-46.1174.9176.1-94.5000111.3A540 S547 R548A540-Y544 VanDerWaalsContact O-CB 3.28Å; A540-Y544 WeakPolarHBondContact O-CB 3.29Å; A540-Y544 PolarHBondContact O-N 2.96Å; Y544-S547 PolarHBondContact O-N 3.14Å; Y544-S547 VanDerWaalsContact O-N 3.16Å; Y544-R548 PolarHBondContact O-N 2.85Å
545R88Confident81.7Confident120 Ų12099.5 Ų99.545%0.45351%0.508SS..Hα-helixtrans-60.5-46.3176.8-162.1-179.3-57.4117.28.6111.9D537 S541 E543 S547 R548 I549D537-R545 IonicContact OD1-CZ 3.24Å; D537-R545 IonicContact OD1-NH1 2.91Å; D537-R545 PolarHBondContact OD1-NH1 3.3Å; D537-R545 IonicContact OD1-NH2 2.69Å; D537-R545 PolarHBondContact OD1-NH2 3.5Å; D537-R545 IonicContact OD2-CZ 3.66Å; D537-R545 IonicContact OD2-NH1 3.87Å; D537-R545 PolarHBondContact OD2-NH1 2.94Å; D537-R545 IonicContact OD2-NH2 3.94Å; S541-R545 WeakPolarHBondContact O-CB 3.37Å; S541-R545 PolarHBondContact O-N 2.92Å; E543-R545 VanDerWaalsContact C-N 3.33Å; E543-R545 PolarHBondContact O-N 3.35Å; R545-S547 VanDerWaalsContact C-N 3.35Å; R545-S547 PolarHBondContact O-N 3.26Å; R545-R548 PolarHBondContact O-N 2.9Å; R545-I549 WeakPolarHBondContact O-CG1 3.3Å; R545-I549 PolarHBondContact O-N 3.47Å
546K87.2Confident83.6Confident115 Ų115103.1 Ų103.150%0.550%0.502SS..Hα-helixtrans-59.1-44.2171.8-72.8171.7-177.91750111.6R542 E543 R548 I549 R550R542-K546 WeakPolarHBondContact O-CG 3.19Å; R542-K546 PolarHBondContact O-N 2.89Å; R542-K546 VanDerWaalsContact O-N 3.07Å; E543-K546 WeakPolarHBondContact O-CB 3.34Å; E543-K546 PolarHBondContact O-N 3.43Å; K546-R548 PolarHBondContact O-N 3.07Å; K546-I549 PolarHBondContact O-N 2.71Å; K546-R550 WeakPolarHBondContact O-CG 3.37Å; K546-R550 PolarHBondContact O-N 2.98Å
547S92.8Very high84.8Confident58 Ų58104.6 Ų104.641%0.40650%0.501SS..Hα-helixtrans-64.4-40-179.9-133.50000112.5E543 Y544 R545 I549 R550 G551E543-S547 WeakPolarHBondContact O-CB 3.08Å; E543-S547 PolarHBondContact O-N 3Å; Y544-S547 PolarHBondContact O-N 3.14Å; Y544-S547 VanDerWaalsContact O-N 3.16Å; R545-S547 VanDerWaalsContact C-N 3.35Å; R545-S547 PolarHBondContact O-N 3.26Å; S547-I549 VanDerWaalsContact C-N 3.3Å; S547-I549 PolarHBondContact O-N 3.18Å; S547-R550 PolarHBondContact O-N 2.94Å; S547-R550 PolarHBondContact OG-NH2 3.07Å; S547-G551 PolarHBondContact O-N 3.12Å
548R95.2Very high85.6Confident175 Ų175104.5 Ų104.566%0.6651%0.511SS*.Hα-helixtrans-61.7-38.1175-138.5-174.484.5-178.95.9112Y544 R545 K546 E552Y544-R548 PolarHBondContact O-N 2.85Å; R545-R548 PolarHBondContact O-N 2.9Å; K546-R548 PolarHBondContact O-N 3.07Å; R548-E552 WeakPolarHBondContact O-CB 3.37Å; R548-E552 PolarHBondContact O-N 3.25Å
549I92.4Very high85.3Confident101 Ų101104 Ų10452%0.51851%0.508SS..Hα-helixtrans-68.9-45.2174.6-65.3165.5000110.9R545 K546 S547 G551 E552 I553R545-I549 WeakPolarHBondContact O-CG1 3.3Å; R545-I549 PolarHBondContact O-N 3.47Å; K546-I549 PolarHBondContact O-N 2.71Å; S547-I549 VanDerWaalsContact C-N 3.3Å; S547-I549 PolarHBondContact O-N 3.18Å; I549-G551 VanDerWaalsContact C-N 3.34Å; I549-G551 PolarHBondContact O-N 2.84Å; I549-E552 PolarHBondContact O-N 3.37Å; I549-I553 HydrophobicContact CG2-CD1 3.82Å; I549-I553 HydrophobicContact CG2-CG1 4.49Å; I549-I553 WeakPolarHBondContact O-CG1 3.38Å; I549-I553 PolarHBondContact O-N 3.23Å
550R91.7Very high84.1Confident126 Ų126106.8 Ų106.848%0.47551%0.507SS..Hα-helixtrans-56.3-47.1174.5-69.6-177.8-63.5-126.4-0.1111.3E543 K546 S547 I553 A554E543-R550 IonicContact OE1-CZ 2.77Å; E543-R550 IonicContact OE1-NH1 3.6Å; E543-R550 PolarHBondContact OE1-NH1 3.16Å; E543-R550 VanDerWaalsContact OE1-NH1 3.1Å; E543-R550 IonicContact OE1-NH2 2.78Å; E543-R550 PolarHBondContact OE1-NH2 2.99Å; K546-R550 WeakPolarHBondContact O-CG 3.37Å; K546-R550 PolarHBondContact O-N 2.98Å; S547-R550 PolarHBondContact O-N 2.94Å; S547-R550 PolarHBondContact OG-NH2 3.07Å; R550-I553 PolarHBondContact O-N 2.75Å; R550-A554 WeakPolarHBondContact O-CB 3.48Å; R550-A554 PolarHBondContact O-N 2.93Å
551G93Very high82.5Confident29 Ų29108.8 Ų108.830%0.29951%0.507SS..Hα-helixtrans-66.4-35.417800000114.1S547 I549 A554 R555S547-G551 PolarHBondContact O-N 3.12Å; I549-G551 VanDerWaalsContact C-N 3.34Å; I549-G551 PolarHBondContact O-N 2.84Å; G551-A554 PolarHBondContact O-N 3.47Å; G551-R555 PolarHBondContact O-N 3.28Å
552E92.4Very high80.9Confident63 Ų63109.8 Ų109.829%0.29451%0.514SS..Hα-helixtrans-68.5-41.8174.2179.161.1-169.700112.2R548 I549 A554 R555 R556R548-E552 WeakPolarHBondContact O-CB 3.37Å; R548-E552 PolarHBondContact O-N 3.25Å; I549-E552 PolarHBondContact O-N 3.37Å; E552-A554 VanDerWaalsContact C-N 3.33Å; E552-R555 PolarHBondContact O-N 3.48Å; E552-R555 IonicContact OE2-CZ 3.91Å; E552-R555 IonicContact OE2-NE 3.03Å; E552-R555 PolarHBondContact OE2-NE 2.87Å; E552-R555 VanDerWaalsContact OE2-NE 3.16Å; E552-R555 IonicContact OE2-NH2 3.22Å; E552-R555 PolarHBondContact OE2-NH2 3.14Å; E552-R556 WeakPolarHBondContact O-CG 3.37Å; E552-R556 PolarHBondContact O-N 3.08Å; E552-R556 IonicContact OE1-CZ 3.38Å; E552-R556 IonicContact OE1-NE 2.7Å; E552-R556 PolarHBondContact OE1-NE 2.78Å; E552-R556 IonicContact OE1-NH2 3.42Å; E552-R556 PolarHBondContact OE1-NH2 2.78Å
553I82.3Confident79.3Confident84 Ų84106.7 Ų106.743%0.43151%0.513SS..Hα-helixtrans-64.2-39.8173.6-67.4167.2000110.7I549 R550 R556 R557I549-I553 HydrophobicContact CG2-CD1 3.82Å; I549-I553 HydrophobicContact CG2-CG1 4.49Å; I549-I553 WeakPolarHBondContact O-CG1 3.38Å; I549-I553 PolarHBondContact O-N 3.23Å; R550-I553 PolarHBondContact O-N 2.75Å; I553-R556 PolarHBondContact O-N 2.99Å; I553-R557 WeakPolarHBondContact O-CG 3.34Å; I553-R557 PolarHBondContact O-N 3.07Å
554A85.7Confident77.5Confident61 Ų61110.2 Ų110.250%0.50453%0.53SS..Hα-helixtrans-63.7-45.2175.300000112R550 G551 E552 R557 G558R550-A554 WeakPolarHBondContact O-CB 3.48Å; R550-A554 PolarHBondContact O-N 2.93Å; G551-A554 PolarHBondContact O-N 3.47Å; E552-A554 VanDerWaalsContact C-N 3.33Å; A554-R557 PolarHBondContact O-N 3.44Å; A554-G558 PolarHBondContact O-N 2.99Å
555R87.5Confident75.2Confident136 Ų136109.9 Ų109.951%0.51354%0.538SS..Hα-helixtrans-57.1-51.7172.1-82.7-168.5-65.1-95.1-0.9111.7G551 E552 R557 G558 N559G551-R555 PolarHBondContact O-N 3.28Å; E552-R555 PolarHBondContact O-N 3.48Å; E552-R555 IonicContact OE2-CZ 3.91Å; E552-R555 IonicContact OE2-NE 3.03Å; E552-R555 PolarHBondContact OE2-NE 2.87Å; E552-R555 VanDerWaalsContact OE2-NE 3.16Å; E552-R555 IonicContact OE2-NH2 3.22Å; E552-R555 PolarHBondContact OE2-NH2 3.14Å; R555-R557 PolarHBondContact O-N 2.94Å; R555-G558 CarbonylContact O-C 3.55Å; R555-G558 WeakPolarHBondContact O-CA 3.19Å; R555-G558 PolarHBondContact O-N 3.47Å; R555-N559 PolarHBondContact O-N 2.82Å; R555-N559 PolarHBondContact O-OD1 2.82Å
556R89.7Confident72.8Confident171 Ų171111 Ų11165%0.64555%0.553SS**Hα-helixtrans-58.4-34.4-179.8-70.8179.2-169.2-153.6-0.1112.8E552 I553 F560E552-R556 WeakPolarHBondContact O-CG 3.37Å; E552-R556 PolarHBondContact O-N 3.08Å; E552-R556 IonicContact OE1-CZ 3.38Å; E552-R556 IonicContact OE1-NE 2.7Å; E552-R556 PolarHBondContact OE1-NE 2.78Å; E552-R556 IonicContact OE1-NH2 3.42Å; E552-R556 PolarHBondContact OE1-NH2 2.78Å; I553-R556 PolarHBondContact O-N 2.99Å; R556-F560 WeakPolarHBondContact O-CB 3.32Å; R556-F560 PolarHBondContact O-N 2.84Å
557R76.8Confident70.3Confident178 Ų178110.7 Ų110.767%0.67256%0.56SS**Hα-helixtrans-68.8-42.8171.2-72.9174.4172.8-175.7-3.2112.6I553 A554 R555 F560 N561I553-R557 WeakPolarHBondContact O-CG 3.34Å; I553-R557 PolarHBondContact O-N 3.07Å; A554-R557 PolarHBondContact O-N 3.44Å; R555-R557 PolarHBondContact O-N 2.94Å; R557-F560 PolarHBondContact O-N 3.41Å; R557-N561 PolarHBondContact O-N 3.02Å; R557-N561 PolarHBondContact O-OD1 3.12Å
558G73.9Confident67.4Low42 Ų42117.5 Ų117.543%0.43358%0.583SS.*Hα-helixtrans-59.9-48.3173.200000112.7A554 R555 F560 N561 S562A554-G558 PolarHBondContact O-N 2.99Å; R555-G558 CarbonylContact O-C 3.55Å; R555-G558 WeakPolarHBondContact O-CA 3.19Å; R555-G558 PolarHBondContact O-N 3.47Å; G558-F560 VanDerWaalsContact C-N 3.3Å; G558-F560 PolarHBondContact O-N 2.86Å; G558-N561 CarbonylContact O-C 3.58Å; G558-N561 PolarHBondContact O-N 3.09Å; G558-N561 VanDerWaalsContact O-N 3.16Å; G558-S562 PolarHBondContact O-N 2.8Å; G558-S562 PolarHBondContact O-OG 3.18Å
559N71.2Confident64.4Low100 Ų100114.1 Ų114.154%0.53559%0.586SS.*Hα-helixtrans-61.5-34.9176.1-77.988.6000112.9R555 S562 C563R555-N559 PolarHBondContact O-N 2.82Å; R555-N559 PolarHBondContact O-OD1 2.82Å; N559-S562 VanDerWaalsContact CA-OG 3.32Å; N559-S562 WeakPolarHBondContact CA-OG 3.48Å; N559-S562 PolarHBondContact O-N 3.22Å; N559-S562 PolarHBondContact O-OG 3Å; N559-C563 PolarHBondContact O-SG 2.7Å; N559-C563 VanDerWaalsContact O-SG 3.4Å
560F51.3Low61.4Low164 Ų164117.3 Ų117.372%0.71960%0.601SS**Hα-helixtrans-68.5-40.2174.3-165.8-93.2000111.5R556 R557 G558 S562 C563R556-F560 WeakPolarHBondContact O-CB 3.32Å; R556-F560 PolarHBondContact O-N 2.84Å; R557-F560 PolarHBondContact O-N 3.41Å; G558-F560 VanDerWaalsContact C-N 3.3Å; G558-F560 PolarHBondContact O-N 2.86Å; F560-S562 VanDerWaalsContact C-N 3.32Å; F560-S562 PolarHBondContact O-N 2.85Å; F560-C563 PolarHBondContact O-N 3.12Å
561N47.1Very low58.6Low118 Ų118121.4 Ų121.463%0.63162%0.616SS**Hα-helixtrans-71-24.3175.1-69.216.5000113R557 G558 C563R557-N561 PolarHBondContact O-N 3.02Å; R557-N561 PolarHBondContact O-OD1 3.12Å; G558-N561 CarbonylContact O-C 3.58Å; G558-N561 PolarHBondContact O-N 3.09Å; G558-N561 VanDerWaalsContact O-N 3.16Å; N561-C563 VanDerWaalsContact C-N 3.25Å; N561-C563 PolarHBondContact O-N 3.14Å
562S48.8Very low55.7Low78 Ų78128.5 Ų128.555%0.54564%0.642SS.*G310 helixtrans-80.11174.462.30000114.3G558 N559 F560 E564G558-S562 PolarHBondContact O-N 2.8Å; G558-S562 PolarHBondContact O-OG 3.18Å; N559-S562 VanDerWaalsContact CA-OG 3.32Å; N559-S562 WeakPolarHBondContact CA-OG 3.48Å; N559-S562 PolarHBondContact O-N 3.22Å; N559-S562 PolarHBondContact O-OG 3Å; F560-S562 VanDerWaalsContact C-N 3.32Å; F560-S562 PolarHBondContact O-N 2.85Å; S562-E564 VanDerWaalsContact C-N 3.3Å
563C44.8Very low52.8Low74 Ų74130.7 Ų130.750%0.566%0.661SS.*G310 helixtrans-85.56.8176.6-73.10000114.2N559 F560 N561 D565 L566N559-C563 PolarHBondContact O-SG 2.7Å; N559-C563 VanDerWaalsContact O-SG 3.4Å; F560-C563 PolarHBondContact O-N 3.12Å; N561-C563 VanDerWaalsContact C-N 3.25Å; N561-C563 PolarHBondContact O-N 3.14Å; C563-D565 PolarHBondContact O-N 2.72Å; C563-L566 PolarHBondContact O-N 2.82Å
564E45.9Very low50.4Low166 Ų166136.3 Ų136.378%0.77668%0.678SS**G310 helixtrans-67.7-19.7177.8-65.1-168.6158.100113.3S562 L566S562-E564 VanDerWaalsContact C-N 3.3Å; E564-L566 PolarHBondContact O-N 3.42Å
565D42.1Very low47.7Very low149 Ų149142.6 Ų142.680%0.79770%0.695SS**G310 helixtrans-75.68.1173.8-81.8-23.2000114.6C563 T567C563-D565 PolarHBondContact O-N 2.72Å; D565-T567 PolarHBondContact O-N 2.91Å
566L37Very low45Very low143 Ų143144 Ų14475%0.74971%0.713SS**  trans-8334.5166.2-66.4-178.7000112.9C563 E564 F568C563-L566 PolarHBondContact O-N 2.82Å; E564-L566 PolarHBondContact O-N 3.42Å; L566-F568 PolarHBondContact O-N 2.69Å
567T34.9Very low42.2Very low108 Ų108144.6 Ų144.666%0.66372%0.723SS**  trans-69.7116.4163.543.30000109.2D565 S569D565-T567 PolarHBondContact O-N 2.91Å; T567-S569 VanDerWaalsContact C-N 3.29Å; T567-S569 PolarHBondContact O-N 2.78Å
568F31.4Very low39.8Very low202 Ų202145.7 Ų145.789%0.88674%0.738SS**  trans-60.285.7175.6-93.9-117.7000110.9L566 M570L566-F568 PolarHBondContact O-N 2.69Å; F568-M570 PolarHBondContact O-N 2.77Å
569S32.7Very low37.7Very low103 Ų103146.5 Ų146.572%0.7275%0.746SS**  trans-79.6103.4166.751.20000108.8T567 R571T567-S569 VanDerWaalsContact C-N 3.29Å; T567-S569 PolarHBondContact O-N 2.78Å; S569-R571 PolarHBondContact O-N 2.82Å
570M29.9Very low35.7Very low169 Ų169152.5 Ų152.583%0.83376%0.763SS**  trans-6868.2169.8-70.7-86.8-71.300109.8F568 E572F568-M570 PolarHBondContact O-N 2.77Å; M570-E572 PolarHBondContact O-N 3.03Å
571R32.4Very low34.7Very low212 Ų212156.1 Ų156.180%0.877%0.772SS**  trans-79.793173.3-179.9177.9-76-177-3.4108.3S569 P573S569-R571 PolarHBondContact O-N 2.82Å; R571-P573 VanDerWaalsContact O-CD 3.25Å; R571-P573 WeakPolarHBondContact O-CD 3.48Å
572E32.3Very low33.7Very low177 Ų177162.9 Ų162.983%0.82779%0.788SS**  trans-56.6116.8172.7-67.9-178.9116.800110M570 Y574M570-E572 PolarHBondContact O-N 3.03Å; E572-Y574 PolarHBondContact O-N 3.17Å
573P31Very low32.8Very low109 Ų109167.9 Ų167.971%0.70880%0.803SS**  trans-10671.2-167.238.5-31.7000111.8R571R571-P573 VanDerWaalsContact O-CD 3.25Å; R571-P573 WeakPolarHBondContact O-CD 3.48Å
574Y31.7Very low32.2Very low202 Ų202169.7 Ų169.779%0.79282%0.817SS**  trans-139.7149.5175.5-90.8-82.5000112.9E572E572-Y574 PolarHBondContact O-N 3.17Å
575F29Very low31.3Very low193 Ų193170.2 Ų170.285%0.84682%0.824SS**SBendtrans71.866.3177.6-55.9-75.4000117.4
576D31Very low30.7Very low167 Ų167171.1 Ų171.189%0.89383%0.828SS**  -148.1173.5118.2-111-35.4000109.3
577E31.1Very low30.4Very low182 Ų182167.7 Ų167.785%0.8583%0.827SS**  trans80.745.5-173.1-66.7-81.611300117.8
578M27.3Very low30.1Very low202 Ų202171.2 Ų171.2100%0.99584%0.836SS**  trans-129.542.3154.3-75.2-156.4-166.600113
579G28Very low29.8Very low59 Ų59172.6 Ų172.661%0.60884%0.837SS**  trans-89.8-33.2-174.100000116.9
580Y31.1Very low29.6Very low225 Ų225178.7 Ų178.788%0.88284%0.844SS**SBendtrans-13674.4-158.8-67.4-75.1000116.1
581R29.9Very low29.6Very low240 Ų240176.7 Ų176.791%0.90684%0.843SS**  trans-178.991.1140.8-102.7173.7-169.9-1775.1111.5
582R25.8Very low29.6Very low260 Ų260171.7 Ų171.798%0.98184%0.841SS**  trans-118.854.8162-77-162.6-175.9-1355.5111.5
583Q29.5Very low29.3Very low183 Ų183166.8 Ų166.886%0.85584%0.838SS**  trans-156.9135.1167.2-97162.6-0.300106.1
584S32.3Very low29.5Very low112 Ų112166.9 Ų166.978%0.78384%0.839SS**  cis-125.8146.70.948.40000111.3
585L28Very low29.5Very low177 Ų177168.4 Ų168.493%0.92785%0.845SS**  trans-104.559.8-176.7-168.883.9000111.7
586L29.3Very low29.5Very low169 Ų169164.7 Ų164.789%0.88584%0.838SS**  trans-158.7117.8165.8-145.167.7000111.2
587G29.4Very low29.6Very low71 Ų71161.8 Ų161.873%0.73283%0.831SS**  trans178.5129.9-179.700000110.1
588H29.4Very low29.7Very low181 Ų181159.2 Ų159.284%0.83883%0.828SS**  trans-78.5151-166.3-68.9-91.5000113.8R590H588-R590 PolarHBondContact O-N 3.42Å
589Y25.2Very low29.9Very low231 Ų231156.8 Ų156.891%0.90682%0.818SS**  trans-47.3130.3174.5-64.4-95.1000113.1
590R28.1Very low30.2Very low231 Ų231158.8 Ų158.887%0.87282%0.82SS**  trans-134.4101.9160.3-165.7172.7-167.4155.95.2110H588H588-R590 PolarHBondContact O-N 3.42Å
591P29.2Very low30.2Very low127 Ų127159.3 Ų159.383%0.82582%0.821SS**  trans-82.9118-17931.1-32000111.3
592S33.9Very low30.5Very low107 Ų107158.8 Ų158.875%0.74882%0.82SS**  trans-151.5113.3165.955.80000109.6
593G24.9Very low31.1Very low74 Ų74151.4 Ų151.476%0.76381%0.809SS**  trans-86.1-159.9168.600000111.9
594P36Very low31.4Very low112 Ų112147 Ų14773%0.72780%0.798SS**  cis-129.9120.6-4.634.7-16.9000113.1
595Y30.2Very low31.5Very low233 Ų233149.1 Ų149.191%0.91480%0.8SS**  trans-100.695.5166-91.3-82.8000110.7S597Y595-S597 PolarHBondContact O-N 3.33Å; Y595-S597 VanDerWaalsContact O-N 3.15Å
596T29.6Very low32Very low116 Ų116146.1 Ų146.171%0.71279%0.791SS**  trans-82.180175.253.50000110.4T598T596-T598 VanDerWaalsContact C-N 3.35Å; T596-T598 PolarHBondContact O-N 3.31Å
597S33.1Very low32.4Very low106 Ų106148 Ų14874%0.74179%0.786SS**  trans-73.385.2176.744.70000111.7Y595 L599Y595-S597 PolarHBondContact O-N 3.33Å; Y595-S597 VanDerWaalsContact O-N 3.15Å; S597-L599 PolarHBondContact O-N 2.8Å
598T33.4Very low32.8Very low127 Ų127151.6 Ų151.678%0.77979%0.787SS**  trans-7355.1179.744.90000113.4T596 P600T596-T598 VanDerWaalsContact C-N 3.35Å; T596-T598 PolarHBondContact O-N 3.31Å; T598-P600 VanDerWaalsContact O-CD 3.28Å; T598-P600 WeakPolarHBondContact O-CD 3.24Å
599L32.5Very low33.3Very low151 Ų151149.4 Ų149.479%0.79178%0.782SS**  trans-73.7115.4167.8-82.5167.5000109.6S597 R601S597-L599 PolarHBondContact O-N 2.8Å; L599-R601 PolarHBondContact O-N 2.87Å; L599-R601 VanDerWaalsContact O-N 3.12Å
600P33.9Very low34Very low102 Ų102145.5 Ų145.566%0.66278%0.775SS**  trans-66.5115.8-179.9-1933.2000110T598 Y602T598-P600 VanDerWaalsContact O-CD 3.28Å; T598-P600 WeakPolarHBondContact O-CD 3.24Å; P600-Y602 PolarHBondContact O-N 3.11Å; P600-Y602 VanDerWaalsContact O-N 3.09Å
601R30.3Very low34.2Very low236 Ų236142.3 Ų142.389%0.89178%0.775SS**  trans-66.8109.6164.9-69.6-176.6-178.3176.50.9107.4L599 S603L599-R601 PolarHBondContact O-N 2.87Å; L599-R601 VanDerWaalsContact O-N 3.12Å; R601-S603 PolarHBondContact O-N 2.76Å
602Y36.4Very low34.4Very low228 Ų228146.5 Ų146.589%0.89478%0.776SS**  trans-65.184.2159.8-73.2-88.1000107.8P600P600-Y602 PolarHBondContact O-N 3.11Å; P600-Y602 VanDerWaalsContact O-N 3.09Å
603S38.5Very low34.5Very low106 Ų106149.5 Ų149.574%0.74178%0.784SS**  trans-58142.5165.3490000108.5R601R601-S603 PolarHBondContact O-N 2.76Å
604S36.8Very low34.9Very low91 Ų91148.3 Ų148.364%0.63677%0.771SS**  trans-44.2147.3-175.954.40000113.2
605L33.6Very low34.9Very low156 Ų156148.7 Ų148.782%0.81777%0.773SS**SBendtrans-37.4144.4169.3-75162.6000112.1R607L605-R607 PolarHBondContact O-N 3.39Å; L605-R607 VanDerWaalsContact O-N 3.15Å
606P39.4Very low35.2Very low113 Ų113144 Ų14473%0.73477%0.772SS**  trans-48.6124.9-179.9-27.534.6000111I608P606-I608 PolarHBondContact O-N 2.8Å
607R36Very low35.3Very low210 Ų210150 Ų15079%0.79278%0.781SS**  trans-66.2108.9167.4-67.2-174.8-179.5-160-0.6105.8L605 D609L605-R607 PolarHBondContact O-N 3.39Å; L605-R607 VanDerWaalsContact O-N 3.15Å; R607-D609 PolarHBondContact O-N 3.28Å; R607-D609 VanDerWaalsContact O-N 3.1Å
608I38.4Very low35.4Very low145 Ų145149.4 Ų149.474%0.74478%0.777SS**  trans-70.9104.9170.3-61.5174.1000104.9P606 L610P606-I608 PolarHBondContact O-N 2.8Å; I608-L610 VanDerWaalsContact C-N 3.32Å; I608-L610 PolarHBondContact O-N 3.05Å
609D40.4Very low35.3Very low136 Ų136152.9 Ų152.973%0.72779%0.785SS**  trans-66.694.2178.7-68.1-44.9000108.8R607 L611R607-D609 PolarHBondContact O-N 3.28Å; R607-D609 VanDerWaalsContact O-N 3.1Å; D609-L611 VanDerWaalsContact C-N 3.33Å; D609-L611 PolarHBondContact O-N 2.81Å
610L39.2Very low35.2Very low148 Ų148150.9 Ų150.978%0.77578%0.779SS**  trans-67.495.3172-70.2174.6000107.9I608 Y612I608-L610 VanDerWaalsContact C-N 3.32Å; I608-L610 PolarHBondContact O-N 3.05Å; L610-Y612 VanDerWaalsContact C-N 3.28Å; L610-Y612 PolarHBondContact O-N 3.3Å
611L33.2Very low35.1Very low164 Ų164155.9 Ų155.986%0.85979%0.786SS**  trans-58.589.7173-69.8170.2000109.7D609 D613D609-L611 VanDerWaalsContact C-N 3.33Å; D609-L611 PolarHBondContact O-N 2.81Å; L611-D613 PolarHBondContact O-N 3.33Å
612Y33.8Very low35.1Very low215 Ų215155.1 Ų155.184%0.84379%0.789SS**  trans-94.890.5178.7-145.9-87.3000107.9L610 G614L610-Y612 VanDerWaalsContact C-N 3.28Å; L610-Y612 PolarHBondContact O-N 3.3Å; Y612-G614 PolarHBondContact O-N 2.87Å
613D34.9Very low34.9Very low171 Ų171150 Ų15091%0.91477%0.774SS**  trans-66.775.7177.1-94.8-39.9000111.1L611L611-D613 PolarHBondContact O-N 3.33Å
614G33.8Very low34.5Very low48 Ų48154 Ų15450%0.49577%0.773SS.*  trans-105.8127.6171.800000110.1Y612Y612-G614 PolarHBondContact O-N 2.87Å
615P35.2Very low34.3Very low120 Ų120158.9 Ų158.978%0.77979%0.788SS**  trans-61.5149.2-176.623.7-33.4000112.4R617P615-R617 PolarHBondContact O-N 2.89Å
616P36.4Very low34.3Very low136 Ų136156.9 Ų156.988%0.88378%0.784SS**  trans-67.4101.5-164.726.3-35.6000112.5
617R32.9Very low33.9Very low241 Ų241160.3 Ų160.391%0.90979%0.79SS**  trans-82.6124.5176.3-148.9170.5-170.81672.3109.7P615P615-R617 PolarHBondContact O-N 2.89Å
618S34.7Very low33.6Very low94 Ų94160.5 Ų160.566%0.65779%0.791SS**  trans-61135.2-167.156.20000113.9T620S618-T620 PolarHBondContact O-N 3.05Å; S618-T620 PolarHBondContact OG-OG1 3.42Å
619Q30.3Very low33Very low200 Ų200158.5 Ų158.594%0.93579%0.79SS**  trans-77.564178-68.2179.1-14.100111.6
620T31.6Very low32.6Very low108 Ų108160 Ų16066%0.66379%0.79SS**  trans-131.951.4-174.655.60000112S618S618-T620 PolarHBondContact O-N 3.05Å; S618-T620 PolarHBondContact OG-OG1 3.42Å
621Y32.4Very low32.2Very low207 Ų207159.1 Ų159.181%0.81279%0.791SS**  trans-148.550.8167.8-146.2-91.5000113.6
622F29.2Very low31.9Very low220 Ų220161.4 Ų161.497%0.96579%0.789SS**  trans-10564.1162.7-91.5-74.4000110
623E31.6Very low31.7Very low121 Ų121156.8 Ų156.857%0.56579%0.786SS**  trans-125.1116.6173.6-86.4-111.987.400111.1
624R30.8Very low31.4Very low191 Ų191159.9 Ų159.972%0.72179%0.786SS**  trans66.163.7138.1-149.8-178.3-57142.65.5118.3
625M33.1Very low31.3Very low193 Ų193163.4 Ų163.495%0.95180%0.803SS**PPolyproline II helixtrans-89.5123.2144.6-98-168.9169.600109.5
626P33.9Very low31.1Very low113 Ų113161.2 Ų161.273%0.73480%0.802SS**PPolyproline II helixtrans-76.2150.6-176.9-1530.1000113.5R628P626-R628 PolarHBondContact O-N 2.77Å
627E30.1Very low30.9Very low185 Ų185161 Ų16186%0.86480%0.801SS**PPolyproline II helixtrans-63.5128.7170.5-63-172.4-179.900111.5
628R29.4Very low30.8Very low214 Ų214155.8 Ų155.881%0.80880%0.796SS**  trans-122.589.4162-82.9-167.5172.1-168.2-1.5109.7P626 F630P626-R628 PolarHBondContact O-N 2.77Å; R628-F630 HydrophobicContact CB-CD2 4.39Å; R628-F630 HydrophobicContact CB-CE2 4.15Å; R628-F630 PolarHBondContact O-N 3.38Å; R628-F630 VanDerWaalsContact O-N 3.08Å
629S26.4Very low30.7Very low104 Ų104156.8 Ų156.873%0.72780%0.8SS**  trans-6993.5173.334.80000111.1V631S629-V631 PolarHBondContact O-N 3.45Å
630F31.7Very low30.5Very low168 Ų168158.6 Ų158.674%0.73780%0.798SS**  trans-80.3104.5169.7-81.8-79.1000110.6R628R628-F630 HydrophobicContact CB-CD2 4.39Å; R628-F630 HydrophobicContact CB-CE2 4.15Å; R628-F630 PolarHBondContact O-N 3.38Å; R628-F630 VanDerWaalsContact O-N 3.08Å
631V30.3Very low30.3Very low129 Ų129161.4 Ų161.478%0.78281%0.808SS**PPolyproline II helixtrans-76.8122.2179.9178.30000110.3S629S629-V631 PolarHBondContact O-N 3.45Å
632Y26.6Very low30.2Very low212 Ų212156.9 Ų156.983%0.83180%0.804SS**PPolyproline II helixtrans-88.2126.2167.9-94.3-92.7000110.6
633P31.1Very low30Very low118 Ų118157.4 Ų157.477%0.76680%0.8SS**PPolyproline II helixtrans-82136.2-179.831.6-33.8000112.8
634Y27.6Very low30.2Very low236 Ų236158.9 Ų158.993%0.92581%0.811SS**  trans-104.6120.5172.3-102.6-91.5000110.6
635S32.6Very low30Very low122 Ų122156.4 Ų156.485%0.85381%0.812SS**  trans-167.6128.8164.757.60000112.9
636G29.8Very low29.9Very low74 Ų74155.3 Ų155.376%0.76380%0.804SS**  trans140.2108.2169.700000114.6
637P33Very low29.5Very low131 Ų131153 Ų15385%0.85180%0.801SS**PPolyproline II helixtrans-93.7158.4-177.435.8-34.4000114.6
638V31.1Very low29.2Very low132 Ų132154.8 Ų154.880%0.880%0.801SS**PPolyproline II helixtrans-86.6133.7-175.7179.70000112.3
639P32.7Very low29.7Very low115 Ų115149.9 Ų149.975%0.74780%0.797SS**PPolyproline II helixtrans-74.4145.7173.131.2-34.9000112.4
640R25.6Very low29.7Very low238 Ų238153.9 Ų153.990%0.89880%0.804SS**  trans-108.5141.3174.1-63.3179.4178.3179.8-0.9110.4
641L27.1Very low29.6Very low167 Ų167157.4 Ų157.487%0.87481%0.813SS**  trans-114.8161.2163.6-101.981.3000111.2
642P30.8Very low29.6Very low112 Ų112155.1 Ų155.173%0.72780%0.803SS**  trans-98.1171.4-15037.7-38.1000116.1
643R25.8Very low29.6Very low230 Ų230152.2 Ų152.287%0.86880%0.801SS**  trans-96.4138.3168.4-65.8172.3171.6153.2-5.8110.6
644N34.8Very low29.5Very low152 Ų152157.1 Ų157.181%0.81381%0.806SS**  trans-137.3125.3147.8-61.4-55.3000104.7
645L26.6Very low29.5Very low139 Ų139151.4 Ų151.473%0.72880%0.796SS**  cis82.1136.449.6-99.9116.9000115.6
646E31Very low29.3Very low170 Ų170152.5 Ų152.579%0.79479%0.791SS**  trans58.7152.6177.8-72.2132.113300118.4
647G25.4Very low29.4Very low64 Ų64155.7 Ų155.766%0.6679%0.791SS**  cis143.1163.3-5.600000113.4
648Y24.7Very low29.4Very low223 Ų223157.2 Ų157.288%0.87579%0.792SS**  trans80.9153.3171.5-83.1-97.8000117.8
649P38.2Very low29.3Very low111 Ų111158.4 Ų158.472%0.72179%0.794SS**  -143.9-156.2-112.243.4-20.4000116
650Q27.2Very low29.3Very low188 Ų188164.9 Ų164.988%0.87980%0.803SS**  trans-65.9144-172.4-62.9158.4-32.700116.2
651R29.4Very low29.4Very low243 Ų243157.6 Ų157.692%0.91780%0.802SS**  trans-159.8155.3158.7-91.7-174.3171.9164.5-4107
652S30Very low29.4Very low81 Ų81153.5 Ų153.557%0.56680%0.8SS**  cis-162.8157.5-17.447.60000107.7
653D26.2Very low29.1Very low150 Ų150153.1 Ų153.180%0.80281%0.806SS**  trans-63.7142.3-175.6-47.8-90.6000113.5
654Y30.3Very low29.3Very low222 Ų222150.2 Ų150.287%0.87181%0.807SS**  trans-132.3151.2161.1-85.5-77.8000109.4
655V27.8Very low29Very low116 Ų116147.9 Ų147.970%0.70381%0.809SS**  trans-139.8138.2-149.4169.10000110.7
656L27.6Very low29.3Very low145 Ų145149.2 Ų149.276%0.75982%0.817SS**  trans72.7145.4161.9-78.5168.5000121.4
657D31.3Very low29.1Very low141 Ų141149.1 Ų149.175%0.75482%0.816SS**  trans91142.8143.3-64.5-25.9000125.1
658D33.8Very low29.4Very low162 Ų162150.8 Ų150.887%0.86682%0.816SS**  trans66.6117.3169.8-86.8-15.6000123.7
659D28.1Very low29.7Very low158 Ų158144.6 Ų144.685%0.84581%0.811SS**  trans-58.1133.5170.1-80-62.5000114.2
660R34.3Very low29.2Very low250 Ų250150.9 Ų150.994%0.94382%0.82SS**  trans-152.6115.9138.2-110.5166.9-141-125.82.1110.8
661G26.8Very low29.3Very low85 Ų85149 Ų14988%0.87681%0.811SS**  trans-72.7155.9178.200000113.5
662G26.8Very low29.1Very low81 Ų81143.1 Ų143.184%0.83581%0.808SS**  trans163.175.9178.500000112.1L664G662-L664 PolarHBondContact O-N 3.45Å
663A25Very low28.9Very low104 Ų104148.2 Ų148.286%0.8682%0.816SS**  trans-74.7120.4-17400000112.9
664L30.8Very low28.9Very low170 Ų170148.4 Ų148.489%0.8982%0.816SS**  trans-127.5127.6147.4-78178.5000108.4G662G662-L664 PolarHBondContact O-N 3.45Å
665A28.1Very low28.8Very low103 Ų103143.4 Ų143.485%0.85181%0.813SS**PPolyproline II helixtrans-80129.6-175.700000111.1E667A665-E667 PolarHBondContact O-N 2.69Å
666N31.5Very low28.8Very low166 Ų166145.2 Ų145.289%0.88882%0.818SS**PPolyproline II helixtrans-72.2124.6170.3-76.7-40.3000110.3
667E28.8Very low29Very low168 Ų168143.5 Ų143.579%0.78582%0.818SS**PPolyproline II helixtrans-78.4132.8174-138.3-77.8146.900109.5A665 A669A665-E667 PolarHBondContact O-N 2.69Å; E667-A669 PolarHBondContact O-N 3.27Å
668P30.6Very low28.7Very low99 Ų99144.9 Ų144.964%0.64383%0.825SS**  trans-75.7111.2-170.328.3-35.7000113.2R670P668-R670 PolarHBondContact O-N 3.34Å
669A31.3Very low28.4Very low93 Ų93142.7 Ų142.777%0.76982%0.819SS**  trans-54.1103.8-178.700000114.1E667 Q671E667-A669 PolarHBondContact O-N 3.27Å; A669-Q671 PolarHBondContact O-N 2.99Å
670R28.2Very low28.3Very low244 Ų244145.7 Ų145.792%0.92182%0.821SS**  trans-73.7101.4167.6-90.4-172.8162.8127.8-3.2111P668 S672P668-R670 PolarHBondContact O-N 3.34Å; R670-S672 PolarHBondContact O-N 3.17Å
671Q29.1Very low28Very low147 Ų147142.4 Ų142.469%0.68782%0.821SS**  trans-67.2117.7172.7-66.8175.8-13.300111A669 Y673A669-Q671 PolarHBondContact O-N 2.99Å; Q671-Y673 HydrophobicContact CB-CD2 4.4Å; Q671-Y673 HydrophobicContact CB-CE2 4.02Å; Q671-Y673 PolarHBondContact O-N 3.4Å
672S24.1Very low27.9Very low121 Ų121145.6 Ų145.685%0.84682%0.818SS**  trans-84.697.9176.645.50000111.7R670R670-S672 PolarHBondContact O-N 3.17Å
673Y25.4Very low28Very low188 Ų188147.3 Ų147.374%0.73782%0.817SS**  trans-75.9172.2164.7-72.2-93.8000111.5Q671Q671-Y673 HydrophobicContact CB-CD2 4.4Å; Q671-Y673 HydrophobicContact CB-CE2 4.02Å; Q671-Y673 PolarHBondContact O-N 3.4Å
674L26.6Very low28.2Very low153 Ų153148.3 Ų148.380%0.80181%0.812SS**  trans85.147.3176.2-48.9-177.2000118L676L674-L676 PolarHBondContact O-N 3.18Å
675S29.2Very low28.2Very low117 Ų117148.9 Ų148.982%0.81881%0.81SS**  trans-88.174.9152450000111.1S677S675-S677 PolarHBondContact O-N 3.31Å; S675-S677 VanDerWaalsContact O-N 3.12Å
676L27.3Very low28Very low154 Ų154152.2 Ų152.281%0.80681%0.813SS**  trans-77.294.6176.4-72.6173.2000111.3L674L674-L676 PolarHBondContact O-N 3.18Å
677S31.1Very low27.9Very low109 Ų109151.9 Ų151.976%0.76281%0.81SS**  trans-69.5123.5167.941.10000110.7S675 P679S675-S677 PolarHBondContact O-N 3.31Å; S675-S677 VanDerWaalsContact O-N 3.12Å; S677-P679 VanDerWaalsContact O-CD 3.3Å; S677-P679 WeakPolarHBondContact O-CD 3.45Å
678L25.5Very low27.6Very low171 Ų171147.3 Ų147.390%0.89581%0.807SS**  trans-81.5112.2176.3-79.9161.1000110.3Y680L678-Y680 PolarHBondContact O-N 3.27Å
679P27.3Very low27.7Very low115 Ų115150.9 Ų150.975%0.74782%0.82SS**  trans-103.369.3-169.537.8-28.5000111.7S677S677-P679 VanDerWaalsContact O-CD 3.3Å; S677-P679 WeakPolarHBondContact O-CD 3.45Å
680Y26.7Very low27.4Very low222 Ų222152.8 Ų152.887%0.87182%0.822SS**  trans-158.373.8174.7-107.7-71.4000112.6L678L678-Y680 PolarHBondContact O-N 3.27Å
681L26.8Very low27.4Very low181 Ų181147.3 Ų147.395%0.94882%0.82SS**SBendtrans-169.360.5154.2-87.6-155.3000110.9
682D26.4Very low27.3Very low152 Ų152148.4 Ų148.481%0.81383%0.825SS**  trans-154118.4164.1-164.32.7000110.7
683S28.7Very low27.5Very low116 Ų116148 Ų14881%0.81182%0.819SS**  trans174.314.5174.927.40000116.2
684V28Very low27.7Very low125 Ų125149.9 Ų149.976%0.75883%0.827SS**  trans-138.392.5168.9-172.50000111.4
685H31Very low27.5Very low183 Ų183148.1 Ų148.185%0.84783%0.828SS**  trans-176.269.9143.3-95.5-58000110.6
686N24.6Very low27.3Very low172 Ų172148.6 Ų148.692%0.9283%0.829SS**  trans-110.583.5171.9-111.3-32.3000110
687I28.7Very low27.1Very low160 Ų160146.5 Ų146.582%0.82183%0.827SS**  trans-135.6101.4165.9-57.9180000106.3
688G24Very low27Very low71 Ų71150 Ų15073%0.73283%0.831SS**  trans-84.5144.2-178.400000112.6
689L31.8Very low27Very low174 Ų174146.5 Ų146.591%0.91182%0.822SS**  trans-132.1137.7153.5-79.3179000109.2
690T24.8Very low26.9Very low133 Ų133153.3 Ų153.382%0.81683%0.832SS**  trans-82.7133-175.748.60000111.7
691C28.5Very low26.8Very low129 Ų129152.7 Ų152.787%0.87283%0.828SS**  trans-138.9130.9161.1-82.10000109.3
692E26.2Very low26.8Very low171 Ų171150.1 Ų150.180%0.79982%0.816SS**PPolyproline II helixtrans-72.8155.3-178.5-77.1-68.3125.500112.7
693P28.2Very low26.8Very low111 Ų111150.1 Ų150.172%0.72182%0.816SS**PPolyproline II helixtrans-87.2128-174.533.7-32.4000112.8
694Y29.3Very low26.7Very low228 Ų228152.4 Ų152.489%0.89482%0.818SS**PPolyproline II helixtrans-95.5125.8165.8-87.3-79.2000111.7C696Y694-C696 PolarHBondContact O-N 3.33Å
695S22.8Very low26.7Very low117 Ų117152.6 Ų152.682%0.81882%0.819SS**PPolyproline II helixtrans-65.4120.2178.8-66.40000113.1
696C26.1Very low26.6Very low126 Ų126148.9 Ų148.985%0.85181%0.814SS**  trans-122.587.2153.8-79.20000109.4Y694 H698Y694-C696 PolarHBondContact O-N 3.33Å; C696-H698 PolarHBondContact O-N 3.31Å
697S22.1Very low26.7Very low110 Ų110146.1 Ų146.177%0.76981%0.808SS**  trans-75.598.4175.755.40000111
698H30.2Very low26.7Very low182 Ų182144.6 Ų144.684%0.84381%0.806SS**  trans-124.1132.3156.2-88.6-59.7000110.9C696 W700C696-H698 PolarHBondContact O-N 3.31Å; H698-W700 PolarHBondContact O-N 3.36Å
699S24.2Very low26.9Very low99 Ų99149.2 Ų149.269%0.69281%0.809SS**  trans-80.2111.6-16453.80000112.5
700W24.8Very low26.9Very low257 Ų257149.8 Ų149.897%0.97381%0.807SS**  trans-87.793.2145.6-69.590.7000106.9H698H698-W700 PolarHBondContact O-N 3.36Å
701R26.6Very low27.6Very low209 Ų209147.4 Ų147.479%0.78980%0.795SS**  trans-71.3147.7169.4-86.4-168.5177.5-81.43.8109.6D703R701-D703 PolarHBondContact O-N 3.35Å
702D26Very low28.1Very low128 Ų128144.9 Ų144.968%0.68479%0.791SS**  trans-41.2124.8173.3-43.1-87.7000113.1
703D27Very low28.8Very low152 Ų152144.5 Ų144.581%0.81378%0.783SS**  trans-139.262.3150.9-135.5-19000109.2R701 V705R701-D703 PolarHBondContact O-N 3.35Å; D703-V705 PolarHBondContact O-N 3.07Å
704L24.9Very low29.9Very low164 Ų164142.8 Ų142.886%0.85977%0.773SS**  trans-74.827.9-176-102.6168.4000113.4
705V28.7Very low30.9Very low129 Ų129139.4 Ų139.478%0.78277%0.769SS**  trans-133.266.7-173.6-162.30000112.6D703D703-V705 PolarHBondContact O-N 3.07Å
706S28.9Very low32Very low104 Ų104140.2 Ų140.273%0.72776%0.764SS**  trans-137.5126.5144.762.60000110.4T708S706-T708 PolarHBondContact O-N 3.46Å; S706-T708 VanDerWaalsContact O-N 3.17Å
707S26.1Very low33.6Very low114 Ų114136 Ų13680%0.79774%0.736SS**  trans-67114.4-178.3179.90000109.8Q709S707-Q709 PolarHBondContact O-N 2.87Å
708T28.5Very low35.1Very low128 Ų128136.7 Ų136.779%0.78573%0.727SS**  trans-71.877.5173.245.50000109.9S706 Q710S706-T708 PolarHBondContact O-N 3.46Å; S706-T708 VanDerWaalsContact O-N 3.17Å; T708-Q710 PolarHBondContact O-N 2.85Å; T708-Q710 VanDerWaalsContact O-N 3.15Å
709Q29.8Very low36.1Very low168 Ų168134.6 Ų134.679%0.78571%0.713SS**  trans-38.9120.9166.9-88.4-80.9-6.100109.6S707 S711S707-Q709 PolarHBondContact O-N 2.87Å; Q709-S711 VanDerWaalsContact C-N 3.3Å; Q709-S711 PolarHBondContact O-N 2.94Å
710Q31.5Very low37.5Very low187 Ų187132 Ų13287%0.87470%0.697SS**  trans-67.389.2-173.5-69.2-177.6-3.700109.8T708 G712T708-Q710 PolarHBondContact O-N 2.85Å; T708-Q710 VanDerWaalsContact O-N 3.15Å; Q710-G712 PolarHBondContact O-N 3.42Å
711S40Very low39Very low82 Ų82122.7 Ų122.757%0.57367%0.666SS**  trans-74.862.6178.6177.20000110.7Q709 R713Q709-S711 VanDerWaalsContact C-N 3.3Å; Q709-S711 PolarHBondContact O-N 2.94Å; S711-R713 PolarHBondContact O-N 2.94Å; S711-R713 WeakPolarHBondContact OG-CD 3.46Å; S711-R713 WeakPolarHBondContact OG-CG 3.23Å; S711-R713 PolarHBondContact OG-NE 2.82Å; S711-R713 VanDerWaalsContact OG-NE 3.11Å
712G37.7Very low40.4Very low76 Ų76119.2 Ų119.278%0.78465%0.654SS**  trans-67.654.1171.700000112.4Q710 S714Q710-G712 PolarHBondContact O-N 3.42Å; G712-S714 VanDerWaalsContact C-N 3.33Å; G712-S714 PolarHBondContact O-N 3.21Å
713R42.5Very low41.3Very low164 Ų164117.6 Ų117.662%0.61965%0.645SS**  trans-70.990.2178.5-71.7-179.8-168.5-142.6-2.3108.7S711 S717S711-R713 PolarHBondContact O-N 2.94Å; S711-R713 WeakPolarHBondContact OG-CD 3.46Å; S711-R713 WeakPolarHBondContact OG-CG 3.23Å; S711-R713 PolarHBondContact OG-NE 2.82Å; S711-R713 VanDerWaalsContact OG-NE 3.11Å; R713-S717 VanDerWaalsContact C-OG 3.3Å; R713-S717 VanDerWaalsContact CA-OG 3.29Å; R713-S717 WeakPolarHBondContact CA-OG 3.35Å; R713-S717 WeakPolarHBondContact CB-OG 3.43Å
714S50Low42.5Very low74 Ų74116.5 Ų116.552%0.51764%0.639SS.*  trans-39142.5166167.70000110.7G712 L716 S717 H718G712-S714 VanDerWaalsContact C-N 3.33Å; G712-S714 PolarHBondContact O-N 3.21Å; S714-L716 PolarHBondContact O-N 2.87Å; S714-L716 PolarHBondContact OG-N 3.34Å; S714-S717 PolarHBondContact N-OG 3.3Å; S714-S717 WeakPolarHBondContact O-CA 3.33Å; S714-S717 WeakPolarHBondContact O-CB 3.47Å; S714-S717 PolarHBondContact O-N 2.92Å; S714-S717 PolarHBondContact O-OG 2.98Å; S714-H718 PolarHBondContact O-N 2.93Å
715L50.8Low43Very low157 Ų157113.3 Ų113.382%0.82262%0.623SS**Hα-helixtrans-53.2-31.4-179.9-154.9106.6000112.1H718 Y719L715-H718 PolarHBondContact O-N 2.91Å; L715-Y719 PolarHBondContact O-N 3.45Å
716L46.6Very low43.7Very low134 Ų134109.9 Ų109.970%0.70260%0.6SS**Hα-helixtrans-65-37.6174.1-169.167.7000112.7S714 Y719 A720S714-L716 PolarHBondContact O-N 2.87Å; S714-L716 PolarHBondContact OG-N 3.34Å; L716-Y719 PolarHBondContact O-N 2.89Å; L716-A720 WeakPolarHBondContact O-CB 3.2Å; L716-A720 PolarHBondContact O-N 3.09Å
717S59.8Low44.1Very low38 Ų38113.7 Ų113.727%0.26660%0.604SS.*Hα-helixtrans-74.5-30.3173.9750000112.5R713 S714 N721R713-S717 VanDerWaalsContact C-OG 3.3Å; R713-S717 VanDerWaalsContact CA-OG 3.29Å; R713-S717 WeakPolarHBondContact CA-OG 3.35Å; R713-S717 WeakPolarHBondContact CB-OG 3.43Å; S714-S717 PolarHBondContact N-OG 3.3Å; S714-S717 WeakPolarHBondContact O-CA 3.33Å; S714-S717 WeakPolarHBondContact O-CB 3.47Å; S714-S717 PolarHBondContact O-N 2.92Å; S714-S717 PolarHBondContact O-OG 2.98Å; S717-N721 WeakPolarHBondContact O-CB 3.2Å; S717-N721 PolarHBondContact O-N 3.3Å; S717-N721 PolarHBondContact O-ND2 2.92Å
718H51.8Low44.5Very low125 Ų125116.7 Ų116.758%0.57961%0.61SS**Hα-helixtrans-67.1-40.7169.7-167.1-60.2000110.7S714 L715 N721 Y722S714-H718 PolarHBondContact O-N 2.93Å; L715-H718 PolarHBondContact O-N 2.91Å; H718-N721 PolarHBondContact O-N 3.43Å; H718-Y722 WeakPolarHBondContact O-CB 3.37Å; H718-Y722 PolarHBondContact O-N 3.29Å
719Y52.4Low44.7Very low138 Ų138114.1 Ų114.154%0.54160%0.597SS.*Hα-helixtrans-67.6-42175.5-169.2-109.9000112.4L715 L716 N721 Y722 L723L715-Y719 PolarHBondContact O-N 3.45Å; L716-Y719 PolarHBondContact O-N 2.89Å; Y719-N721 VanDerWaalsContact C-N 3.34Å; Y719-N721 PolarHBondContact O-N 3.45Å; Y719-Y722 PolarHBondContact O-N 2.95Å; Y719-L723 HydrophobicContact CD1-CD1 3.97Å; Y719-L723 HydrophobicContact CD1-CG 4.38Å; Y719-L723 HydrophobicContact CE1-CD1 3.59Å; Y719-L723 HydrophobicContact CE1-CD2 4.49Å; Y719-L723 HydrophobicContact CE1-CG 4.1Å; Y719-L723 WeakPolarHBondContact O-CG 3.47Å; Y719-L723 PolarHBondContact O-N 3.02Å
720A52.3Low44.7Very low44 Ų44114.5 Ų114.536%0.36459%0.592SS.*Hα-helixtrans-62.5-39173.600000112.3L716 L723 N724L716-A720 WeakPolarHBondContact O-CB 3.2Å; L716-A720 PolarHBondContact O-N 3.09Å; A720-L723 PolarHBondContact O-N 3.35Å; A720-N724 WeakPolarHBondContact O-CB 3.37Å; A720-N724 PolarHBondContact O-N 3.37Å
721N57.6Low44.7Very low62 Ų62111.6 Ų111.633%0.33259%0.589SS.*Hα-helixtrans-65.9-39.4172.2-82.7-66.8000112.2S717 H718 Y719 N724 N725S717-N721 WeakPolarHBondContact O-CB 3.2Å; S717-N721 PolarHBondContact O-N 3.3Å; S717-N721 PolarHBondContact O-ND2 2.92Å; H718-N721 PolarHBondContact O-N 3.43Å; Y719-N721 VanDerWaalsContact C-N 3.34Å; Y719-N721 PolarHBondContact O-N 3.45Å; N721-N724 PolarHBondContact O-N 3.47Å; N721-N725 WeakPolarHBondContact O-CA 3.46Å; N721-N725 VanDerWaalsContact O-CB 3.28Å; N721-N725 WeakPolarHBondContact O-CB 3.27Å; N721-N725 PolarHBondContact O-N 3.12Å; N721-N725 PolarHBondContact OD1-ND2 3.43Å
722Y55.2Low44.3Very low136 Ų136111.9 Ų111.953%0.53359%0.591SS.*Hα-helixtrans-64.5-40.1176.5-171.7-99.2000112.2H718 Y719 D726H718-Y722 WeakPolarHBondContact O-CB 3.37Å; H718-Y722 PolarHBondContact O-N 3.29Å; Y719-Y722 PolarHBondContact O-N 2.95Å; Y722-D726 WeakPolarHBondContact CD2-OD2 3.44Å; Y722-D726 WeakPolarHBondContact CE2-OD2 3.46Å
723L45.3Very low44Very low93 Ų93112.5 Ų112.549%0.48759%0.589SS.*Hα-helixtrans-66.2-38.8173.6-69.2179.5000112.7Y719 A720Y719-L723 HydrophobicContact CD1-CD1 3.97Å; Y719-L723 HydrophobicContact CD1-CG 4.38Å; Y719-L723 HydrophobicContact CE1-CD1 3.59Å; Y719-L723 HydrophobicContact CE1-CD2 4.49Å; Y719-L723 HydrophobicContact CE1-CG 4.1Å; Y719-L723 WeakPolarHBondContact O-CG 3.47Å; Y719-L723 PolarHBondContact O-N 3.02Å; A720-L723 PolarHBondContact O-N 3.35Å
724N51.2Low43.5Very low130 Ų130110.9 Ų110.970%0.69560%0.597SS**Hα-helixtrans-85.2-28-176.1-71.95000114.4A720 N721A720-N724 WeakPolarHBondContact O-CB 3.37Å; A720-N724 PolarHBondContact O-N 3.37Å; N721-N724 PolarHBondContact O-N 3.47Å
725N37Very low42.5Very low96 Ų96114 Ų11451%0.51361%0.608SS.*Hα-helixtrans-126.815.6-162.4-67.2-49.9000116.9N721 S729N721-N725 WeakPolarHBondContact O-CA 3.46Å; N721-N725 VanDerWaalsContact O-CB 3.28Å; N721-N725 WeakPolarHBondContact O-CB 3.27Å; N721-N725 PolarHBondContact O-N 3.12Å; N721-N725 PolarHBondContact OD1-ND2 3.43Å; N725-S729 PolarHBondContact O-OG 3.02Å
726D42Very low41.5Very low58 Ų58113.7 Ų113.731%0.3161%0.607SS.*SBendtrans-115.6-9.2170.5-95.4-58.2000114.7Y722 R730Y722-D726 WeakPolarHBondContact CD2-OD2 3.44Å; Y722-D726 WeakPolarHBondContact CE2-OD2 3.46Å; D726-R730 WeakPolarHBondContact OD1-CD 3.17Å; D726-R730 IonicContact OD1-CZ 3.21Å; D726-R730 IonicContact OD1-NE 2.74Å; D726-R730 IonicContact OD1-NH1 3.71Å; D726-R730 PolarHBondContact OD1-NH1 2.86Å; D726-R730 IonicContact OD2-NH1 3.68Å
727F38.5Very low40.7Very low184 Ų184117.5 Ų117.581%0.80761%0.613SS**SBendtrans-87-13.1-176.4-95-74.3000116.7
728L34.4Very low39.1Very low177 Ų177126.6 Ų126.693%0.92764%0.644SS**SBendtrans-134.45.9-173.1-71.2176.8000115.8
729S33.2Very low38Very low74 Ų74132.4 Ų132.452%0.51766%0.66SS.*SBendtrans-134.715-167.754.30000116.1N725N725-S729 PolarHBondContact O-OG 3.02Å
730R29.8Very low36.9Very low175 Ų175130.7 Ų130.766%0.6667%0.669SS**  trans-13477.6176.6-74-174.6162161.9-10.1116.5D726D726-R730 WeakPolarHBondContact OD1-CD 3.17Å; D726-R730 IonicContact OD1-CZ 3.21Å; D726-R730 IonicContact OD1-NE 2.74Å; D726-R730 IonicContact OD1-NH1 3.71Å; D726-R730 PolarHBondContact OD1-NH1 2.86Å; D726-R730 IonicContact OD2-NH1 3.68Å
731P31.4Very low36Very low127 Ų127133.3 Ų133.383%0.82569%0.69SS**SBendtrans-86.6-13.2162.5-11.530000114.5
732S31.6Very low34.6Very low87 Ų87137.5 Ų137.561%0.60871%0.713SS**  trans-93.2-5.2-160.9500000116.9V734S732-V734 PolarHBondContact O-N 2.98Å
733A30.7Very low33.4Very low89 Ų89135.4 Ų135.474%0.73672%0.718SS**THydrogen-bonded Turntrans-74.127.3-168.900000116
734V31.5Very low32.6Very low130 Ų130136.8 Ų136.879%0.78873%0.732SS**THydrogen-bonded Turntrans-134.10.8-175.1-161.20000113S732S732-V734 PolarHBondContact O-N 2.98Å
735N29.8Very low31.8Very low141 Ų141137.9 Ų137.975%0.75474%0.737SS**SBendtrans-105.4-11.4-169.4-117.242.7000117Y737N735-Y737 VanDerWaalsContact C-N 3.34Å; N735-Y737 PolarHBondContact O-N 2.98Å
736D29.4Very low31.4Very low150 Ų150140.6 Ų140.680%0.80275%0.751SS**THydrogen-bonded Turntrans-867.2-170.2-68.6-25.6000115.5
737Y29Very low30.5Very low214 Ų214149.2 Ų149.284%0.83978%0.781SS**THydrogen-bonded Turntrans-129.429.7-177.8-83.1-77.5000115.5N735N735-Y737 VanDerWaalsContact C-N 3.34Å; N735-Y737 PolarHBondContact O-N 2.98Å
738Y27.1Very low30Very low229 Ų229145.9 Ų145.990%0.89878%0.78SS**  trans-133.469.5161.4-86.8-77.6000111.7
739R29.6Very low29.5Very low246 Ų246145.8 Ų145.893%0.92878%0.78SS**  trans-88.4121.5162.6-169.5175.4-172.1172.83108.6
740S28.5Very low29.2Very low103 Ų103146.9 Ų146.972%0.7279%0.788SS**  trans-57.5142.5-173.2-48.70000113.7
741A32.6Very low29.1Very low98 Ų98147.1 Ų147.181%0.8180%0.796SS**  trans-13043.4172.200000110.8S743A741-S743 PolarHBondContact O-N 3.27Å; A741-S743 VanDerWaalsContact O-N 3.13Å
742D28Very low28.7Very low151 Ų151146 Ų14681%0.80779%0.789SS**  trans-76.988.7173.1-67.5-62.3000110.6
743S30.9Very low28.3Very low92 Ų92151.6 Ų151.664%0.64380%0.798SS**  trans-150.786.8161660000111.8A741A741-S743 PolarHBondContact O-N 3.27Å; A741-S743 VanDerWaalsContact O-N 3.13Å
744P29.5Very low28.2Very low121 Ų121157.5 Ų157.579%0.78681%0.808SS**  trans-70.4130.816330.3-32.1000109.4
745I34.1Very low27.8Very low154 Ų154158.8 Ų158.879%0.7981%0.807SS**  trans-133.9133.7167.8-62-177.6000107
746D26.9Very low27.8Very low153 Ų153161.6 Ų161.682%0.81881%0.812SS**  trans-74.6154.4-159.2-66.4-71.2000116.2
747Y23.6Very low27.7Very low239 Ų239159.6 Ų159.694%0.93781%0.81SS**  trans-73127.8164.3-71.2-99.9000110.2
748S28.6Very low27.9Very low113 Ų113157 Ų15779%0.7981%0.811SS**  trans-123.4124.8164-172.50000110
749L24.6Very low27.8Very low176 Ų176150 Ų15092%0.92180%0.8SS**  trans-125.767.4-166.7-170.981.7000112
750S26.1Very low27.9Very low97 Ų97144.9 Ų144.968%0.67879%0.791SS**  trans-168.5153.5162.264.30000108.5
751Q27.3Very low28.1Very low179 Ų179149 Ų14984%0.83680%0.799SS**  cis-139.4165.222.2-71180-1800112.7
752P23.5Very low27.7Very low103 Ų103151.7 Ų151.767%0.66980%0.799SS**  trans-101.2172.5177.140.3-35.9000114.5
753Y23.3Very low27.9Very low205 Ų205149.6 Ų149.680%0.80479%0.794SS**  trans61.1111.3166.6-64.6-74.5000119.2
754F28.6Very low27.6Very low214 Ų214150.3 Ų150.394%0.93980%0.799SS**  trans-135.2125.9131.4-120-83000110.1
755M23.2Very low27.7Very low156 Ų156151.2 Ų151.277%0.76880%0.802SS**  trans-83.5139.3177.3-66.7165.964.800110.1
756K30.3Very low27.3Very low200 Ų200147.5 Ų147.587%0.8780%0.795SS**  trans-128.1100.1158.5-81-169.2173.3-177.60109.5
757S27Very low27.3Very low109 Ų109151.4 Ų151.476%0.76280%0.799SS**  trans-80.7111.9170.950.10000109.9
758N31.7Very low27.6Very low158 Ų158144.2 Ų144.285%0.84579%0.79SS**  trans-97.3121.5158-74.37.4000107.4
759A25.1Very low27.4Very low82 Ų82145.1 Ų145.168%0.67879%0.793SS**  trans-89.4-163.7174.300000110.6
760D31.9Very low27.6Very low140 Ų140140.1 Ų140.175%0.74978%0.784SS**  trans67.883.7161.5-49.6-30.6000117.4
761Q33.2Very low27.8Very low190 Ų190145.1 Ų145.189%0.88880%0.797SS**  -172117.2102.8-96.9149.99900114
762L24.5Very low27.7Very low154 Ų154141.6 Ų141.681%0.80680%0.798SS**  trans-83.9174.3148.5-110.374.5000108.5
763P31.4Very low28Very low107 Ų107141.9 Ų141.970%0.69580%0.803SS**  cis-136.6155.81439-20.2000118.3
764S25.7Very low28.1Very low106 Ų106141.5 Ų141.574%0.74181%0.808SS**  trans37108.8132.6-48.70000122.6
765T30.3Very low27.9Very low141 Ų141136 Ų13687%0.86580%0.803SS**  trans-131.297.1152.6-500000107.1
766A26.9Very low28.1Very low76 Ų76133.8 Ų133.863%0.62880%0.802SS**  85109.872.300000114.1
767Y25.5Very low27.7Very low234 Ų234133.1 Ų133.192%0.91881%0.807SS**  trans62142.6171-68-94.5000117.2
768A30.1Very low27.6Very low89 Ų89132.9 Ų132.974%0.73681%0.805SS**  cis-148.3151.59.800000112.5
769P25.8Very low27.3Very low131 Ų131129.9 Ų129.985%0.85180%0.803SS**  trans-89.2138.9169.934.6-31.5000111.9
770G28.1Very low27.5Very low72 Ų72134.3 Ų134.374%0.74281%0.814SS**  trans-150.6108.3-176.300000115
771Q30.4Very low27.2Very low201 Ų201133.5 Ų133.594%0.93982%0.815SS**  trans58125.6159-61.9-175.5-10.300119.7
772A24.2Very low27Very low106 Ų106131.9 Ų131.988%0.87681%0.812SS**  trans-120.3128.2163.800000110.1
773S30.1Very low27.1Very low109 Ų109130.2 Ų130.276%0.76281%0.808SS**  trans-157.5103.4162.551.20000106
774Q26.6Very low26.8Very low196 Ų196131.1 Ų131.192%0.91681%0.812SS**  69.2125.578.6-162.7173.935.600112.1
775A23.8Very low26.8Very low100 Ų100132.4 Ų132.483%0.82682%0.819SS**  trans-87.7151.4-165.900000113.8
776S26.6Very low26.6Very low108 Ų108129.1 Ų129.176%0.75581%0.813SS**  trans-143.2128.1157.854.20000110.8
777L22.9Very low26.7Very low187 Ų187134.8 Ų134.898%0.97983%0.827SS**  trans-95.1115.9162.2-81.8160.4000106.9
778S25.6Very low26.7Very low103 Ų103131.5 Ų131.572%0.7282%0.824SS**  trans-138.8127.3174.357.20000110.1
779A24.6Very low26.7Very low96 Ų96132.5 Ų132.579%0.79382%0.823SS**  trans-72.9145.3-175.900000112.4
780L30Very low26.9Very low175 Ų175131.4 Ų131.492%0.91682%0.819SS**  trans-124119.1157.1-82.6174.6000109.3
781T24.8Very low26.8Very low123 Ų123139 Ų13976%0.75583%0.825SS**  trans-80130.3176.648.30000110.7
782N30.1Very low26.5Very low155 Ų155140.9 Ų140.983%0.82983%0.825SS**  trans-148.490.1160-100.9-35.5000112.1
783T25.2Very low26.7Very low119 Ų119141.4 Ų141.473%0.7381%0.813SS**  35.4146.1119.5-28.10000121.1
784V25.9Very low26.6Very low126 Ų126145.8 Ų145.876%0.76481%0.813SS**  trans99.596.2159.2-169.40000117.9
785C24.6Very low26.7Very low134 Ų134147.7 Ų147.791%0.90581%0.813SS**  trans53132.2131.7-153.90000121.9
786G26.5Very low26.7Very low72 Ų72150.5 Ų150.574%0.74281%0.811SS**  trans177.424.1173.500000121.1
787H29.1Very low26.8Very low195 Ų195153.5 Ų153.590%0.90381%0.813SS**  trans64172.8177.2-98.2-71.7000118.5
788L25.3Very low27.2Very low164 Ų164149.3 Ų149.386%0.85980%0.797SS**  trans-109.4161-154.7-113.971.6000115.1
789P30.4Very low27.2Very low110 Ų110150.9 Ų150.971%0.71480%0.796SS**  trans-117.2168-177.842.3-32.2000115.4
790S29.2Very low27.3Very low109 Ų109154.5 Ų154.576%0.76280%0.797SS**  trans-157.3118.4145.651.60000107.6
791R27.2Very low27.1Very low232 Ų232151.5 Ų151.588%0.87579%0.79SS**  57.897.254.6-72.7-157.5-179.9-167.53.6114.5
792Y24.5Very low27.1Very low239 Ų239152.1 Ų152.194%0.93779%0.794SS**  trans-127.291.5146.7-100.9-88.1000107.8
793D28.6Very low27.3Very low117 Ų117149.5 Ų149.563%0.62679%0.785SS**  trans-155.3127162.6-16520.5000109.7
794R26.4Very low27.5Very low201 Ų201150.2 Ų150.276%0.75879%0.792SS**  trans53129.9171.1-30.9-176.6-160.4-179.86.3119.5
795Y29.9Very low27.5Very low236 Ų236149.3 Ų149.393%0.92579%0.791SS**  -160.1169.2107.6-103.3-68.6000110.6
796M23.1Very low27.7Very low159 Ų159147.4 Ų147.478%0.78379%0.785SS**  trans-101.9158.8-179.2-88.6-77-163.800111.8
797E29.6Very low27.7Very low171 Ų171152.1 Ų152.180%0.79979%0.792SS**  trans5.8159.4138.5-93.7177.8-139.100121.6
798P30.3Very low27.5Very low100 Ų100148.7 Ų148.765%0.64979%0.789SS**  cis-145.6-161.40.138.9-15.9000116.2
799I26.5Very low27.8Very low136 Ų136147.2 Ų147.270%0.69779%0.789SS**  trans88.6108.1147.2-79.4171.1000121.7
800E25.4Very low27.6Very low171 Ų171147.5 Ų147.580%0.79979%0.794SS**  trans70.2156.5132.4-60.5-179.4167.700126.1
801S27.1Very low27.6Very low112 Ų112147.7 Ų147.778%0.78380%0.795SS**  trans82.789164.765.20000121.9
802V24.6Very low27.7Very low136 Ų136143.7 Ų143.782%0.82479%0.791SS**  21.2142.8110.9-176.80000118.4
803P34.6Very low28Very low101 Ų101142.8 Ų142.866%0.65679%0.792SS**  cis-124.8173.61.631.7-12.2000115.5
804P28.6Very low28Very low133 Ų133143.3 Ų143.386%0.86480%0.795SS**  trans-87.6119.9174.533.3-32.5000113.7
805S25.7Very low28.2Very low108 Ų108145.4 Ų145.476%0.75580%0.803SS**  trans-151.578169.863.20000113.3
806A28.7Very low28.1Very low93 Ų93142.8 Ų142.877%0.76980%0.797SS**  trans-133.7103.7165.200000107.8
807L26.7Very low28.5Very low171 Ų171141.9 Ų141.990%0.89580%0.8SS**  74.573.885.2-71.5168.5000113.5
808C26Very low28.1Very low124 Ų124140.8 Ų140.884%0.83880%0.795SS**  trans-108.9148.3143.7-81.20000108.6
809P30.5Very low27.9Very low132 Ų132147.9 Ų147.986%0.85781%0.809SS**  trans-89154.3-159.8-8.328.1000114.5
810S25.5Very low27.8Very low116 Ų116148.5 Ų148.581%0.81181%0.809SS**  trans-87.1139.8168.951.20000112.1
811S30.1Very low28Very low113 Ų113147.2 Ų147.279%0.7981%0.813SS**  trans-148.8121.4161.362.10000110.2
812D28.8Very low28.2Very low148 Ų148147.5 Ų147.579%0.79181%0.812SS**  trans-65.1150.3-165.2-47.9-78.5000115.3
813F32.2Very low28.3Very low220 Ų220146 Ų14697%0.96581%0.814SS**  trans-140.694.3147.7-106.3-75.4000109.7
814D27.8Very low28Very low128 Ų128146.1 Ų146.168%0.68482%0.815SS**  trans-85.2122.3-178.1-169.90.2000110.8
815R31.4Very low28Very low245 Ų245145.8 Ų145.893%0.92581%0.81SS**  trans-151.899.9166.8-132.9179.2-168.6-1591.6113.1
816K26.9Very low28Very low182 Ų182146.6 Ų146.679%0.79181%0.806SS**  trans-65.9132.1172.1-60.4168-175.4169.70111.8
817T30.6Very low28Very low140 Ų140150.2 Ų150.286%0.85980%0.804SS**  trans-145.5142.4138.79.80000109.4
818Q22.5Very low28.1Very low148 Ų148148.6 Ų148.669%0.69280%0.797SS**  trans-122.8126-168.3177.5-176.314.100108.7Q820Q818-Q820 HydrophobicContact CG-CG 4.24Å
819W25.1Very low28.4Very low249 Ų249148.1 Ų148.194%0.94379%0.792SS**  trans-125.1124.5166.8-76.9103.3000109
820Q25.8Very low28.3Very low149 Ų149150.5 Ų150.570%0.69679%0.792SS**  trans-95.7145.4-171.7-65.3173.5-1600110.7Q818Q818-Q820 HydrophobicContact CG-CG 4.24Å
821T29Very low28.7Very low143 Ų143151.5 Ų151.588%0.87779%0.787SS**  trans-84.6134.3165.136.30000110.8
822P31Very low28.7Very low118 Ų118154.2 Ų154.277%0.76679%0.79SS**  trans-125.4115162.333.6-18.7000111.4
823A27.8Very low28.5Very low105 Ų105155 Ų15587%0.86879%0.788SS**  trans-150.596.7173.400000112.9
824P28.3Very low28.5Very low103 Ų103151.5 Ų151.567%0.66979%0.785SS**  trans-120.5170.2164.138.3-26.9000112.7
825T28.4Very low28.4Very low126 Ų126152.6 Ų152.677%0.77379%0.786SS**  trans72.4152.2171.381.30000115.1
826L25.2Very low28.2Very low126 Ų126150.7 Ų150.766%0.6679%0.785SS**  cis-162.7158.5-4-145.848.8000110.6
827F28.9Very low28.3Very low168 Ų168147.7 Ų147.774%0.73778%0.778SS**  trans60.1157164.5-60.7-57.2000118.1
828D29.1Very low28Very low138 Ų138145.3 Ų145.374%0.73877%0.772SS**  cis-150.6162.6-16.6-119.1-21.7000109.8
829P30.7Very low28.2Very low114 Ų114146.7 Ų146.774%0.7478%0.779SS**  trans-108.4144.4-17937.9-28.9000114.2
830E28.8Very low28.3Very low181 Ų181140.8 Ų140.885%0.84677%0.77SS**  trans-155.4157.6163.7-136.7179.7-156.600115.2
831L34.1Very low28.3Very low137 Ų137138.8 Ų138.872%0.71777%0.772SS**  trans71.980.8164-55.4-174.7000121.2
832M29.7Very low28.1Very low171 Ų171143 Ų14384%0.84277%0.772SS**  78.3135.5120.2-61.5-141.773.700122.2
833E26.2Very low28.1Very low163 Ų163143.3 Ų143.376%0.76277%0.774SS**  trans-79.7160.8179.9-55.1161149.300112.6
834T31.2Very low27.9Very low148 Ų148148.3 Ų148.391%0.90878%0.776SS**  trans-148.7121.7136.4-29.40000109.2
835E25.3Very low28.1Very low150 Ų150149.2 Ų149.270%0.70179%0.785SS**  trans-75.5149.3-177.9-55177.9117.200111.8
836F28.5Very low28.1Very low206 Ų206146.8 Ų146.890%0.90479%0.785SS**  trans-142.6140.4139-134.3-88.6000111.6
837N27.6Very low28Very low119 Ų119144.6 Ų144.664%0.63679%0.793SS**  trans-84.1142-161.6-76.1-81.9000113.8
838A25.6Very low28.3Very low90 Ų90142.3 Ų142.374%0.74480%0.795SS**  55.5170129.200000119.5
839E25Very low28Very low177 Ų177143.7 Ų143.783%0.82780%0.801SS**  cis-156.9-179.39.8-154.1-179.1171.400111.5
840V27.4Very low27.9Very low125 Ų125144.2 Ų144.276%0.75880%0.802SS**  trans72.1110.2162.1-172.10000118.3
841S26.4Very low27.7Very low106 Ų106143.6 Ų143.674%0.74180%0.799SS**PPolyproline II helixtrans-75.6161.8174.5510000115.4
842R24.2Very low27.5Very low232 Ų232142 Ų14288%0.87580%0.797SS**PPolyproline II helixtrans-63.6135165.6-58.9169.2179155.4-2.4111.6
843P30.8Very low27.2Very low124 Ų124143.2 Ų143.281%0.80579%0.793SS**PPolyproline II helixtrans-74.2144.2163.731-33000111.2
844K25.5Very low27.4Very low211 Ų211145.1 Ų145.192%0.91780%0.8SS**  trans-117.3114.4168-80.6-175.6177.4178.70110
845S32.4Very low27.1Very low121 Ų121149.4 Ų149.485%0.84680%0.799SS**  trans-154.4144.7161.551.90000107.5
846G28Very low27.2Very low75 Ų75148.8 Ų148.877%0.77380%0.796SS**  cis145.477.56.100000107.9
847G23.3Very low27.1Very low80 Ų80144.4 Ų144.483%0.82579%0.792SS**  trans-93.7142.6-168.900000114
848P34Very low27.3Very low121 Ų121149 Ų14979%0.78680%0.8SS**  trans-114.9117.6163.934.5-22.6000112.8
849L23.5Very low27.5Very low166 Ų166151.4 Ų151.487%0.86981%0.805SS**  39.8150.1128.9-148.272.3000122.7
850V28.5Very low27.5Very low126 Ų126147.4 Ų147.476%0.76480%0.802SS**  trans103107.2157.8-170.60000116.7
851E25.2Very low27.6Very low168 Ų168150.6 Ų150.679%0.78581%0.809SS**  trans-103.9137.7164.5160.6175.2-138.800107.9
852P29.3Very low27.4Very low103 Ų103156.5 Ų156.567%0.66982%0.815SS**  -150143.6115.134.3-15.9000117.1
853Y22.9Very low27.9Very low196 Ų196151.7 Ų151.777%0.76981%0.814SS**  trans19.3129.1145.9-60.6-83.2000121.8
854F31.4Very low27.6Very low204 Ų204154.6 Ų154.690%0.89581%0.814SS**  -146.7139.9124.8-112.6-75000111.9
855R23.6Very low27.9Very low237 Ų237153 Ų15389%0.89481%0.809SS**  trans-132.5108.8-175.2-167.1-170.4-160.5-164.69.1110
856Q28.9Very low27.6Very low137 Ų137150.9 Ų150.964%0.6479%0.794SS**  trans-134.797.2171.7-74.8-160.77.200112.1
857S26.4Very low27.7Very low115 Ų115153.3 Ų153.380%0.80479%0.79SS**PPolyproline II helixtrans-79.4124159.750.20000109.6
858R31.3Very low27.9Very low216 Ų216158.8 Ų158.882%0.81579%0.791SS**PPolyproline II helixtrans-102.5144.4171.4-66.8-169.5-176.2-172.72.7111.2
859V28.9Very low27.7Very low139 Ų139158.6 Ų158.684%0.84279%0.79SS**PPolyproline II helixtrans-86.2152.6-168.4176.90000111.1
860A24.8Very low28.1Very low94 Ų94154.2 Ų154.278%0.77779%0.785SS**PPolyproline II helixtrans-59.2146.1178.900000113.3
861Q29.7Very low28Very low192 Ų192155.3 Ų155.390%0.89779%0.786SS**  trans-115.9144.5161.5-71.2-172.4-16.200109.5
862R23.6Very low28.2Very low230 Ų230155.7 Ų155.787%0.86879%0.786SS**  trans-135.495.6-166.4-174.2-175.6-169176.75109.7
863P34.2Very low28.1Very low130 Ų130159 Ų15984%0.84479%0.792SS**  trans-63.1145.9175.2-20.933.5000111.5
864K24.4Very low28.1Very low186 Ų186153.3 Ų153.381%0.80979%0.793SS**  trans-122.9121.5167.4-70.8-177.1178.7-178.60108.7
865H32.5Very low28.1Very low177 Ų177155.4 Ų155.482%0.81980%0.795SS**  trans-162121.6153.1-93.9-68.2000104
866S25.6Very low28.1Very low77 Ų77154.2 Ų154.254%0.53879%0.792SS.*  cis84.912330.596.10000114.3
867D29.4Very low28.1Very low126 Ų126150.7 Ų150.767%0.67479%0.792SS**  trans97.9114.1145.3-47-38000121
868F27.6Very low28Very low195 Ų195155.1 Ų155.186%0.85579%0.793SS**  trans76.3135.6160.2-61.5-70.1000122.7
869P29.8Very low28Very low117 Ų117154.6 Ų154.676%0.7680%0.797SS**  trans-96.9173.2175.940.7-35.4000113
870G32Very low27.7Very low74 Ų74154 Ų15476%0.76379%0.794SS**  trans-143.3138.2164.900000110.5
871D27.4Very low27.8Very low149 Ų149155.1 Ų155.180%0.79780%0.795SS**  trans-89-172.9-168.4-65.8-71.2000114.8
872F29.4Very low27.6Very low176 Ų176156.6 Ų156.677%0.77279%0.793SS**  trans92.5107.5162.8-88-94.6000121
873E25.8Very low27.7Very low172 Ų172151.1 Ų151.180%0.80479%0.79SS**  trans51.4114.6138.8-67-170.1151.800121
874G23.3Very low27.5Very low77 Ų77153.8 Ų153.879%0.79479%0.789SS**  trans-78.3153.5173.100000114.4
875R30.9Very low27.7Very low247 Ų247151 Ų15193%0.93279%0.787SS**  trans-124.7108.5157.7-71.4-172.8175.7-172.5-1.2109.5G877R875-G877 PolarHBondContact O-N 3.22Å
876Y24.8Very low27.2Very low213 Ų213151.4 Ų151.484%0.83579%0.789SS**  trans-64.9127.4167.7-84.8-90.9000109.4Y878Y876-Y878 HydrophobicContact CD1-CE2 4Å; Y876-Y878 HydrophobicContact CE1-CE2 4.44Å
877G27.8Very low27.4Very low62 Ų62153.3 Ų153.364%0.63980%0.8SS**  trans-160.563.5-172.800000112.4R875 K879R875-G877 PolarHBondContact O-N 3.22Å; G877-K879 PolarHBondContact O-N 3.22Å
878Y24.2Very low27.1Very low208 Ų208153 Ų15382%0.81681%0.807SS**  trans-63.599.1175.4-72.1-77000110.9Y876Y876-Y878 HydrophobicContact CD1-CE2 4Å; Y876-Y878 HydrophobicContact CE1-CE2 4.44Å
879K31.4Very low27.2Very low206 Ų206150.8 Ų150.890%0.89680%0.803SS**  trans-83.7120.9168.1-68.2-173.3178.4-177.50109.4G877G877-K879 PolarHBondContact O-N 3.22Å
880T23.5Very low27Very low127 Ų127154.8 Ų154.878%0.77981%0.809SS**  trans-73.4175.2172.342.90000111.7
881S26.6Very low26.5Very low116 Ų116157 Ų15781%0.81181%0.812SS**  trans70.290.3170.4-55.30000116.7
882R26.6Very low26.3Very low223 Ų223153.7 Ų153.784%0.84281%0.814SS**  trans-120.4108.9142.2-78.8-171.1174.3-178.9-1.8108.8F884R882-F884 HydrophobicContact CB-CE2 4.37Å
883S24.6Very low26Very low115 Ų115150.1 Ų150.180%0.80481%0.811SS**PPolyproline II helixtrans-69.9122.1168.338.80000109.4
884F30.4Very low26Very low187 Ų187152.1 Ų152.182%0.8281%0.812SS**PPolyproline II helixtrans-98.6122.2163.9-82.5-86.3000108.4R882R882-F884 HydrophobicContact CB-CE2 4.37Å
885T27.6Very low26.1Very low127 Ų127156.2 Ų156.278%0.77981%0.811SS**PPolyproline II helixtrans-81.2146.9-172.945.60000112.5
886E23.3Very low25.7Very low186 Ų186152.1 Ų152.187%0.86981%0.807SS**PPolyproline II helixtrans-65.1137175.1-61.6176.8113.900112.2
887P28.6Very low26Very low116 Ų116150.2 Ų150.275%0.75381%0.809SS**  trans-89.2104.4163.532.6-28.3000110.2
888S23.3Very low25.7Very low119 Ų119155.9 Ų155.983%0.83282%0.819SS**  trans-80.5118.3175.745.70000111.6
889I30.6Very low25.7Very low150 Ų150152.1 Ų152.177%0.76982%0.818SS**  trans-129.3107.7177.6-63.4175.9000110.5
890F24.3Very low25.4Very low200 Ų200147 Ų14788%0.87781%0.814SS**  trans35.7125.9153.2-87.8-95000121.5
891S21.4Very low25.4Very low120 Ų120150 Ų15084%0.83982%0.819SS**  trans-73.3139.2160.847.40000112
892G24Very low25.4Very low80 Ų80152.8 Ų152.883%0.82582%0.819SS**  trans-138119.2170.100000109.9
893S22.8Very low25.3Very low101 Ų101152 Ų15271%0.70682%0.822SS**  trans-87.2128.1-175.7175.80000111.9
894Y26.2Very low25.2Very low215 Ų215151.8 Ų151.884%0.84381%0.809SS**  trans-150.7103.3155.2-88.4-67.2000113.9
895H25.6Very low24.9Very low163 Ų163150.7 Ų150.776%0.75581%0.811SS**  trans63145.4132-74.555.6000121.8
896N22.9Very low24.9Very low161 Ų161153.6 Ų153.686%0.86182%0.816SS**  trans-89.1144.6-177.5-49-78.1000112.4
897I29.7Very low24.9Very low172 Ų172153.8 Ų153.888%0.88281%0.808SS**  trans-135149.5152.2-63.9-175.3000107.8
898E21.4Very low24.9Very low181 Ų181159.1 Ų159.185%0.84681%0.813SS**  trans-86.5-165.4-168.9-57.4173.697.900114.3
899V25.1Very low25.2Very low129 Ų129160.6 Ų160.678%0.78281%0.812SS**  trans92.7104.3162.3-169.50000118
900A24.4Very low24.9Very low100 Ų100156 Ų15683%0.82680%0.802SS**  trans48.372.4144.600000120.1
901Q24.7Very low25Very low188 Ų188154.4 Ų154.488%0.87980%0.802SS**  trans-104.695.4163-67.4-173.84.700112.5
902H25.7Very low25.2Very low176 Ų176157.6 Ų157.682%0.81580%0.796SS**SBendtrans-153.99.3161-134.1-74.7000116.7
903F24Very low25.4Very low206 Ų206157.8 Ų157.890%0.90478%0.783SS**SBendtrans-130.826.8-174.7-102.8-71.6000115.1
904E22.6Very low25.8Very low111 Ų111157.9 Ų157.952%0.51978%0.779SS.*  trans-139.573.6179.2-162.266.3-92.900112.1R907E904-R907 VanDerWaalsContact OE1-CD 3.29Å; E904-R907 WeakPolarHBondContact OE1-CD 3.42Å; E904-R907 VanDerWaalsContact OE1-CG 3.24Å; E904-R907 WeakPolarHBondContact OE1-CG 3.19Å; E904-R907 IonicContact OE1-CZ 3.84Å; E904-R907 IonicContact OE1-NE 2.85Å; E904-R907 PolarHBondContact OE1-NE 2.89Å; E904-R907 IonicContact OE1-NH2 3.98Å; E904-R907 IonicContact OE2-CZ 3.18Å; E904-R907 IonicContact OE2-NE 2.96Å; E904-R907 PolarHBondContact OE2-NE 3.03Å; E904-R907 IonicContact OE2-NH2 2.76Å; E904-R907 PolarHBondContact OE2-NH2 3.1Å
905N25.7Very low26.1Very low163 Ų163152.1 Ų152.187%0.87277%0.767SS**  trans-142.621.1170.4-115.6-24.3000114
906H27.6Very low26.4Very low189 Ų189148.9 Ų148.988%0.87575%0.748SS**  trans-103.1-7.8170.6-82.149.1000113.2R908H906-R908 PolarHBondContact O-N 3.34Å
907R23.4Very low27.2Very low190 Ų190147.8 Ų147.872%0.71774%0.74SS**THydrogen-bonded Turntrans-84.287.1172.6-68.8-173.2-149.4-152.210112.3E904E904-R907 VanDerWaalsContact OE1-CD 3.29Å; E904-R907 WeakPolarHBondContact OE1-CD 3.42Å; E904-R907 VanDerWaalsContact OE1-CG 3.24Å; E904-R907 WeakPolarHBondContact OE1-CG 3.19Å; E904-R907 IonicContact OE1-CZ 3.84Å; E904-R907 IonicContact OE1-NE 2.85Å; E904-R907 PolarHBondContact OE1-NE 2.89Å; E904-R907 IonicContact OE1-NH2 3.98Å; E904-R907 IonicContact OE2-CZ 3.18Å; E904-R907 IonicContact OE2-NE 2.96Å; E904-R907 PolarHBondContact OE2-NE 3.03Å; E904-R907 IonicContact OE2-NH2 2.76Å; E904-R907 PolarHBondContact OE2-NH2 3.1Å
908R27.7Very low27.9Very low227 Ų227144.5 Ų144.586%0.85773%0.725SS**THydrogen-bonded Turntrans178.8-7.2143.1-98.7152.8-162.8-1422.3116.9H906 R912H906-R908 PolarHBondContact O-N 3.34Å; R908-R912 PolarHBondContact O-NH2 3.06Å
909N28.8Very low29.2Very low150 Ų150140.4 Ų140.480%0.80273%0.731SS**  trans-105.244.7170.1-79.9-9.9000112.8R912N909-R912 PolarHBondContact OD1-NH2 2.99Å
910G24.1Very low31.5Very low55 Ų55141.2 Ų141.257%0.56772%0.72SS**SBendtrans-82.6136.5163.100000111R912G910-R912 VanDerWaalsContact C-N 3.28Å; G910-R912 PolarHBondContact O-N 2.95Å
911D28Very low34.1Very low165 Ų165138.8 Ų138.888%0.88269%0.693SS**SBendtrans39.243.2157.2-60.5-6.1000118P913D911-P913 VanDerWaalsContact C-CD 3.46Å; D911-P913 WeakPolarHBondContact O-CD 3.48Å
912R25.4Very low36.7Very low187 Ų187133.3 Ų133.371%0.70667%0.666SS**  trans-87.991.5148.2-78.4-174.7-81.1-156.2-2107.6R908 N909 G910 V914R908-R912 PolarHBondContact O-NH2 3.06Å; N909-R912 PolarHBondContact OD1-NH2 2.99Å; G910-R912 VanDerWaalsContact C-N 3.28Å; G910-R912 PolarHBondContact O-N 2.95Å; R912-V914 PolarHBondContact O-N 3.3Å
913P28.5Very low39.3Very low85 Ų85129.7 Ų129.755%0.55265%0.645SS**  trans-56.1134.2166.526.4-34.3000107.4D911 T915D911-P913 VanDerWaalsContact C-CD 3.46Å; D911-P913 WeakPolarHBondContact O-CD 3.48Å; P913-T915 PolarHBondContact O-N 3.12Å
914V31.3Very low42Very low102 Ų102120.5 Ų120.562%0.61861%0.605SS**  trans-50.9111.9-177.2177.20000108.1R912 W916R912-V914 PolarHBondContact O-N 3.3Å; V914-W916 PolarHBondContact O-N 3.42Å; V914-W916 VanDerWaalsContact O-N 3.14Å
915T31.9Very low44.8Very low95 Ų95117.4 Ų117.458%0.58359%0.592SS**  trans-66119.9-175.638.30000107.6P913 I917P913-T915 PolarHBondContact O-N 3.12Å; T915-I917 PolarHBondContact O-N 3.09Å
916W31.6Very low47.4Very low94 Ų94110 Ų11036%0.35655%0.553SS.*  trans-71.557.6-175.8-53.4105000111.7V914 N918 L921 L1010V914-W916 PolarHBondContact O-N 3.42Å; V914-W916 VanDerWaalsContact O-N 3.14Å; W916-N918 PolarHBondContact O-N 2.86Å; W916-L921 HydrophobicContact CE3-CB 3.66Å; W916-L921 HydrophobicContact CE3-CD1 3.62Å; W916-L921 HydrophobicContact CE3-CG 4.13Å; W916-L921 HydrophobicContact CZ3-CB 3.99Å; W916-L921 HydrophobicContact CZ3-CD1 4.08Å; W916-L921 HydrophobicContact CZ3-CD2 4.38Å; W916-L921 HydrophobicContact CZ3-CG 4.36Å; W916-L1010 HydrophobicContact CH2-CD1 3.51Å; W916-L1010 HydrophobicContact CH2-CD2 3.6Å; W916-L1010 HydrophobicContact CH2-CG 4.21Å; W916-L1010 HydrophobicContact CZ3-CD1 3.55Å; W916-L1010 HydrophobicContact CZ3-CD2 3.71Å; W916-L1010 HydrophobicContact CZ3-CG 4.18Å
917I39Very low49.6Very low138 Ų138104.4 Ų104.471%0.70853%0.532SS*.  trans-68.91.5-169.156.9176000114.6T915T915-I917 PolarHBondContact O-N 3.09Å
918N46.2Very low51.9Low104 Ų10497.8 Ų97.856%0.55651%0.507SS*.SBendtrans-140.3128.1169.2-79.2-77.3000109.3W916 R920W916-N918 PolarHBondContact O-N 2.86Å; N918-R920 PolarHBondContact O-N 3.17Å
919G48.3Very low53.7Low95 Ų9590.8 Ų90.898%0.97949%0.486SS*.THydrogen-bonded Turntrans-69.532.2176.800000115
920R72.2Confident55.4Low145 Ų14591 Ų9155%0.54748%0.482SS..THydrogen-bonded Turntrans-104.1-1.5175.6-65-170.8-171.6-164.33.5112.5N918 S1013 G1014N918-R920 PolarHBondContact O-N 3.17Å; R920-S1013 WeakPolarHBondContact CB-O 3.28Å; R920-S1013 WeakPolarHBondContact CD-O 3.09Å; R920-S1013 PolarHBondContact O-N 2.92Å; R920-G1014 PolarHBondContact NH1-O 2.76Å
921L79.9Confident57.1Low50 Ų5096.8 Ų96.826%0.26249%0.492SS..EExtended strand (participates in β ladder)trans-98.1130.9-173.7-70.5157.6000110.9W916 L981 I1011 K1012W916-L921 HydrophobicContact CE3-CB 3.66Å; W916-L921 HydrophobicContact CE3-CD1 3.62Å; W916-L921 HydrophobicContact CE3-CG 4.13Å; W916-L921 HydrophobicContact CZ3-CB 3.99Å; W916-L921 HydrophobicContact CZ3-CD1 4.08Å; W916-L921 HydrophobicContact CZ3-CD2 4.38Å; W916-L921 HydrophobicContact CZ3-CG 4.36Å; L921-L981 HydrophobicContact CD2-CD1 3.47Å; L921-L981 VanDerWaalsContact CD2-CD1 3.47Å; L921-I1011 CarbonylContact C-O 3.51Å; L921-I1011 VanDerWaalsContact CA-O 3.27Å; L921-I1011 WeakPolarHBondContact CA-O 3.32Å; L921-K1012 HydrophobicContact CD2-CB 3.6Å; L921-K1012 HydrophobicContact CD2-CG 4.05Å
922K79.1Confident58.7Low72 Ų7292 Ų9231%0.31347%0.466SS..EExtended strand (participates in β ladder)trans-128.7137-178.9-53.6-175.7-173.8-174.10110.4L924 E973 L1010 I1011K922-L924 HydrophobicContact CB-CD2 4.32Å; K922-L924 HydrophobicContact CB-CG 4.48Å; K922-E973 PolarHBondContact NZ-O 2.76Å; K922-L1010 WeakPolarHBondContact O-CA 3.5Å; K922-L1010 WeakPolarHBondContact O-CD1 3.25Å; K922-I1011 HydrophobicContact CB-CB 4.49Å; K922-I1011 PolarHBondContact N-O 3.04Å; K922-I1011 PolarHBondContact O-N 3.11Å
923R81.1Confident59.9Low101 Ų10195 Ų9538%0.38148%0.478SS..EExtended strand (participates in β ladder)trans-112.1107.6171.7-171.4176.2-69.2-91.5-1.6109.2E982 E1008 I1009 L1010R923-E982 IonicContact CZ-OE1 2.81Å; R923-E982 IonicContact CZ-OE2 3.1Å; R923-E982 VanDerWaalsContact CZ-OE2 3.24Å; R923-E982 IonicContact NH1-OE2 3.85Å; R923-E982 PolarHBondContact NH1-OE2 2.9Å; R923-E982 IonicContact NH2-OE1 3.45Å; R923-E982 PolarHBondContact NH2-OE1 3.38Å; R923-E982 IonicContact NH2-OE2 3.22Å; R923-E982 PolarHBondContact NH2-OE2 2.91Å; R923-E1008 HydrophobicContact CG-CG 4.02Å; R923-I1009 CarbonylContact C-O 3.51Å; R923-I1009 WeakPolarHBondContact CA-O 3.37Å; R923-L1010 HydrophobicContact CB-CD1 3.99Å
924L80.6Confident61.3Low12 Ų1294.1 Ų94.16%0.06347%0.473CS..EExtended strand (participates in β ladder)trans-106146-175.5-54.7-174.4000110.6K922 L926 M971 E973 V974 E1008 I1009 I1011K922-L924 HydrophobicContact CB-CD2 4.32Å; K922-L924 HydrophobicContact CB-CG 4.48Å; L924-L926 HydrophobicContact CB-CD1 3.78Å; L924-M971 HydrophobicContact CD1-CE 4.28Å; L924-M971 HydrophobicContact CD2-CE 4.36Å; L924-E973 HydrophobicContact CD1-CB 4Å; L924-E973 HydrophobicContact CD2-CB 4.48Å; L924-E973 WeakPolarHBondContact CD2-OE2 3.46Å; L924-V974 HydrophobicContact CD1-CG2 3.42Å; L924-V974 VanDerWaalsContact CD1-CG2 3.42Å; L924-E1008 CarbonylContact O-C 3.58Å; L924-E1008 VanDerWaalsContact O-CA 3.31Å; L924-E1008 WeakPolarHBondContact O-CA 3.16Å; L924-I1009 HydrophobicContact CB-CG1 4.03Å; L924-I1009 PolarHBondContact N-O 3.22Å; L924-I1009 PolarHBondContact O-N 3.1Å; L924-I1011 HydrophobicContact CD1-CD1 3.81Å; L924-I1011 HydrophobicContact CG-CD1 4.4Å
925L79.9Confident62.6Low46 Ų4692.4 Ų92.424%0.24148%0.477CS..EExtended strand (participates in β ladder)trans-124.592.4-178.6179.550.4000110V1007 E1008L925-V1007 CarbonylContact C-O 3.55Å; L925-V1007 WeakPolarHBondContact CA-O 3.3Å; L925-E1008 HydrophobicContact CD1-CB 4Å
926L80.4Confident64.3Low8 Ų891 Ų914%0.04246%0.463CS..EExtended strand (participates in β ladder)trans-91.3164.3-177.6-59.690.8000110.6L924 L938 V968 M971 V1007 I1009L924-L926 HydrophobicContact CB-CD1 3.78Å; L926-L938 HydrophobicContact CB-CD2 3.74Å; L926-L938 HydrophobicContact CD2-CD2 4.12Å; L926-V968 HydrophobicContact CD2-CG2 3.52Å; L926-M971 HydrophobicContact CD2-SD 4.13Å; L926-M971 HydrophobicContact CG-SD 4.11Å; L926-V1007 PolarHBondContact N-O 2.94Å; L926-V1007 PolarHBondContact O-N 2.93Å; L926-I1009 HydrophobicContact CD1-CD1 3.55Å; L926-I1009 HydrophobicContact CD1-CG1 3.7Å
927V74.5Confident66Low72 Ų7287.2 Ų87.244%0.43645%0.454SS..EExtended strand (participates in β ladder)trans-127.9113.5173.3-177.80000107.3D929 L967 E1006V927-D929 PolarHBondContact O-N 3.27Å; V927-L967 WeakPolarHBondContact O-CD1 3.37Å; V927-E1006 HydrophobicContact CG1-CG 4.35Å; V927-E1006 HydrophobicContact CG2-CG 4.18Å
928R72.1Confident68.1Low50 Ų5081 Ų8119%0.18942%0.422CS..  trans-61.2129.7176.6-71.9176160.3-157.4-9.9110.1Q930 G937 L938 I1000 T1003 G1005 V1007R928-Q930 PolarHBondContact O-N 3.14Å; R928-G937 VanDerWaalsContact CA-O 3.25Å; R928-G937 WeakPolarHBondContact CA-O 3.29Å; R928-L938 HydrophobicContact CB-CD2 4.41Å; R928-L938 HydrophobicContact CG-CD2 3.49Å; R928-L938 VanDerWaalsContact CG-CD2 3.49Å; R928-L938 HydrophobicContact CG-CG 3.81Å; R928-I1000 VanDerWaalsContact CZ-O 3.24Å; R928-I1000 PolarHBondContact NH1-O 2.96Å; R928-I1000 VanDerWaalsContact NH2-CG2 3.26Å; R928-I1000 PolarHBondContact NH2-O 2.8Å; R928-T1003 WeakPolarHBondContact CD-O 3.47Å; R928-T1003 PolarHBondContact NH1-O 3.29Å; R928-G1005 WeakPolarHBondContact CB-O 3.22Å; R928-G1005 WeakPolarHBondContact CG-O 3.48Å; R928-G1005 PolarHBondContact N-O 2.85Å; R928-V1007 HydrophobicContact CG-CG2 4.06Å
929D65.9Low69.8Low80 Ų8076.1 Ų76.143%0.42840%0.397SS..  trans-77.4108.1169.1-172.30.2000109.4V927 K931 D932 G937 L967V927-D929 PolarHBondContact O-N 3.27Å; D929-K931 PolarHBondContact O-N 2.94Å; D929-K931 WeakPolarHBondContact OD1-CA 3.38Å; D929-K931 WeakPolarHBondContact OD1-CB 3.3Å; D929-K931 PolarHBondContact OD1-N 2.98Å; D929-D932 HydrophobicContact CB-CB 4.05Å; D929-D932 WeakPolarHBondContact O-CB 3.49Å; D929-D932 PolarHBondContact O-N 3.15Å; D929-G937 PolarHBondContact N-O 2.84Å; D929-L967 HydrophobicContact CB-CD1 4.5Å
930Q63.5Low71.7Confident154 Ų15472.1 Ų72.172%0.7235%0.353SS*.THydrogen-bonded Turntrans-67.4-15175.6-70178.5-38.300112.9R928R928-Q930 PolarHBondContact O-N 3.14Å
931K58.9Low72.5Confident178 Ų17870.9 Ų70.977%0.77435%0.348SS*.THydrogen-bonded Turntrans-82.8-16.1175.6-164.7176.1-180178.70112.6D929 R933D929-K931 PolarHBondContact O-N 2.94Å; D929-K931 WeakPolarHBondContact OD1-CA 3.38Å; D929-K931 WeakPolarHBondContact OD1-CB 3.3Å; D929-K931 PolarHBondContact OD1-N 2.98Å; K931-R933 PolarHBondContact O-N 2.82Å; K931-R933 VanDerWaalsContact O-N 3.1Å
932D61.9Low72.9Confident63 Ų6369.1 Ų69.134%0.33734%0.339SS..  trans-73.6101.9-174.2-168.5-8.8000111.3D929 S934D929-D932 HydrophobicContact CB-CB 4.05Å; D929-D932 WeakPolarHBondContact O-CB 3.49Å; D929-D932 PolarHBondContact O-N 3.15Å; D932-S934 PolarHBondContact O-N 2.8Å; D932-S934 WeakPolarHBondContact OD1-CB 3.3Å; D932-S934 PolarHBondContact OD1-N 2.89Å; D932-S934 VanDerWaalsContact OD1-N 3.08Å; D932-S934 PolarHBondContact OD1-OG 2.87Å; D932-S934 PolarHBondContact OD2-OG 3.47Å
933R51.2Low73.3Confident251 Ų25166.7 Ų66.795%0.94733%0.329SS*.THydrogen-bonded Turntrans-73.1-3.6-179.1-68.5-173.7175-168.1-2.4113.7K931 G935K931-R933 PolarHBondContact O-N 2.82Å; K931-R933 VanDerWaalsContact O-N 3.1Å; R933-G935 PolarHBondContact O-N 2.86Å; R933-G935 VanDerWaalsContact O-N 3.15Å
934S57.4Low73.4Confident66 Ų6662 Ų6246%0.46231%0.312SS..THydrogen-bonded Turntrans-63.4-13.2177.364.20000114.4D932 H936D932-S934 PolarHBondContact O-N 2.8Å; D932-S934 WeakPolarHBondContact OD1-CB 3.3Å; D932-S934 PolarHBondContact OD1-N 2.89Å; D932-S934 VanDerWaalsContact OD1-N 3.08Å; D932-S934 PolarHBondContact OD1-OG 2.87Å; D932-S934 PolarHBondContact OD2-OG 3.47Å; S934-H936 PolarHBondContact O-N 2.84Å; S934-H936 PolarHBondContact OG-N 2.88Å
935G58.8Low73.2Confident67 Ų6762.6 Ų62.669%0.69132%0.321SS*.SBendtrans74.12.7-171.300000113.5R933R933-G935 PolarHBondContact O-N 2.86Å; R933-G935 VanDerWaalsContact O-N 3.15Å
936H67.2Low72.6Confident65 Ų6564.7 Ų64.730%0.30133%0.329SS..  trans-130.848.3-174.1-60.5-27.4000111.2S934 L938 G939 Y963S934-H936 PolarHBondContact O-N 2.84Å; S934-H936 PolarHBondContact OG-N 2.88Å; H936-L938 PolarHBondContact O-N 3.26Å; H936-G939 PolarHBondContact O-N 3.42Å; H936-Y963 HydrophobicContact CB-CD2 4.37Å; H936-Y963 HydrophobicContact CB-CE2 4.21Å; H936-Y963 AromaticContact CD2-CE2 3.34Å; H936-Y963 WeakPolarHBondContact CD2-CE2 3.36Å; H936-Y963 AromaticContact CD2-CZ 3.42Å; H936-Y963 VanDerWaalsContact CD2-CZ 3.42Å; H936-Y963 PolarHBondContact CD2-OH 2.82Å; H936-Y963 AromaticContact CG-CE2 3.93Å; H936-Y963 AromaticContact NE2-CZ 3.81Å; H936-Y963 PolarHBondContact NE2-OH 2.81Å
937G69.1Low72.2Confident15 Ų1568.7 Ų68.716%0.15535%0.349CS..THydrogen-bonded Turntrans-60.215.2-168.600000119.1R928 D929R928-G937 VanDerWaalsContact CA-O 3.25Å; R928-G937 WeakPolarHBondContact CA-O 3.29Å; D929-G937 PolarHBondContact N-O 2.84Å
938L81.1Confident71.7Confident6 Ų666.9 Ų66.93%0.03134%0.337CS..THydrogen-bonded Turntrans-106.2-16.9160.7-67.5-179.4000113.4L926 R928 H936 M940 L967 V968 W983L926-L938 HydrophobicContact CB-CD2 3.74Å; L926-L938 HydrophobicContact CD2-CD2 4.12Å; R928-L938 HydrophobicContact CB-CD2 4.41Å; R928-L938 HydrophobicContact CG-CD2 3.49Å; R928-L938 VanDerWaalsContact CG-CD2 3.49Å; R928-L938 HydrophobicContact CG-CG 3.81Å; H936-L938 PolarHBondContact O-N 3.26Å; L938-M940 HydrophobicContact CB-CG 4.12Å; L938-L967 WeakPolarHBondContact O-CB 3.39Å; L938-L967 PolarHBondContact O-N 3.43Å; L938-V968 HydrophobicContact CB-CG2 4.22Å; L938-V968 WeakPolarHBondContact O-CB 3.38Å; L938-V968 WeakPolarHBondContact O-CG2 3.27Å; L938-V968 PolarHBondContact O-N 2.89Å; L938-W983 HydrophobicContact CD1-CH2 3.66Å; L938-W983 HydrophobicContact CD1-CZ2 4.37Å; L938-W983 HydrophobicContact CD1-CZ3 4.43Å
939G82.9Confident71.1Confident3 Ų368.9 Ų68.93%0.03136%0.356CS..SBendtrans80.222.1-167.300000114.7H936 Y963H936-G939 PolarHBondContact O-N 3.42Å; G939-Y963 PolarHBondContact O-N 3.26Å
940M88.8Confident70.8Confident11 Ų1169.4 Ų69.45%0.05438%0.381CS..EExtended strand (participates in β ladder)trans-138.5152.8173.967158.779.300112.5L938 V942 V959 A961 V968 V974 I980 I1009L938-M940 HydrophobicContact CB-CG 4.12Å; M940-V942 HydrophobicContact CG-CG2 4.23Å; M940-V942 HydrophobicContact SD-CG2 3.51Å; M940-V942 VanDerWaalsContact SD-CG2 3.51Å; M940-V959 HydrophobicContact CB-CG1 4.27Å; M940-V959 HydrophobicContact CE-CG2 4.26Å; M940-V959 HydrophobicContact SD-CG2 3.97Å; M940-A961 CarbonylContact C-O 3.59Å; M940-A961 WeakPolarHBondContact CA-O 3.25Å; M940-V968 HydrophobicContact CB-CB 4.44Å; M940-V968 HydrophobicContact CB-CG1 4.35Å; M940-V968 HydrophobicContact CB-CG2 4.17Å; M940-V968 HydrophobicContact CE-CB 4.36Å; M940-V968 HydrophobicContact CE-CG1 3.99Å; M940-V968 HydrophobicContact CE-CG2 3.39Å; M940-V968 HydrophobicContact CG-CG2 4.07Å; M940-V974 HydrophobicContact CE-CG1 4.09Å; M940-V974 HydrophobicContact CE-CG2 4.39Å; M940-I980 HydrophobicContact SD-CD1 4.34Å; M940-I1009 HydrophobicContact CE-CD1 3.88Å
941R88.1Confident70.5Confident119 Ų11963.6 Ų63.645%0.44936%0.357SS..EExtended strand (participates in β ladder)trans-103.1132.9163.9-173.8179.7177.7-1611.3109.3A960 A961 Y963R941-A960 PolarHBondContact O-N 3.11Å; R941-A961 HydrophobicContact CB-CB 4.03Å; R941-A961 PolarHBondContact N-O 3.23Å; R941-A961 PolarHBondContact O-N 2.75Å; R941-Y963 HydrophobicContact CB-CE2 3.98Å
942V89.4Confident70.6Confident12 Ų1262 Ų627%0.07336%0.357CS..EExtended strand (participates in β ladder)trans-112.7144177.1179.50000109.2M940 T957 Y958 I980 W983 V996 I1000M940-V942 HydrophobicContact CG-CG2 4.23Å; M940-V942 HydrophobicContact SD-CG2 3.51Å; M940-V942 VanDerWaalsContact SD-CG2 3.51Å; V942-T957 HydrophobicContact CG1-CG2 3.29Å; V942-Y958 WeakPolarHBondContact CA-O 3.48Å; V942-I980 HydrophobicContact CB-CD1 4.46Å; V942-I980 HydrophobicContact CG1-CD1 3.87Å; V942-I980 HydrophobicContact CG2-CD1 3.67Å; V942-W983 HydrophobicContact CG2-CZ3 4.31Å; V942-V996 HydrophobicContact CG1-CG1 4.46Å; V942-I1000 HydrophobicContact CB-CD1 3.75Å; V942-I1000 HydrophobicContact CG1-CD1 3.67Å; V942-I1000 HydrophobicContact CG2-CD1 4.38Å
943I86Confident70.6Confident21 Ų2163.4 Ų63.411%0.10837%0.371CS..EExtended strand (participates in β ladder)trans-130.7126.2172.6-65180000108.7T957 Y958 A960 Y993I943-T957 CarbonylContact O-C 3.53Å; I943-T957 WeakPolarHBondContact O-CA 3.43Å; I943-Y958 HydrophobicContact CB-CD1 4.43Å; I943-Y958 HydrophobicContact CB-CE1 3.74Å; I943-Y958 HydrophobicContact CG2-CE1 3.77Å; I943-Y958 PolarHBondContact N-O 3.5Å; I943-Y958 VanDerWaalsContact O-CD1 3.28Å; I943-Y958 WeakPolarHBondContact O-CD1 3.48Å; I943-Y958 PolarHBondContact O-N 3.49Å; I943-A960 HydrophobicContact CB-CB 4.21Å; I943-A960 HydrophobicContact CD1-CB 3.51Å; I943-A960 HydrophobicContact CG1-CB 3.64Å; I943-Y993 HydrophobicContact CG2-CD2 4.35Å
944G84.4Confident71.5Confident2 Ų256.1 Ų56.12%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-106.8177.5171.300000113T957G944-T957 WeakPolarHBondContact CA-OG1 3.49Å
945G74.9Confident72.7Confident25 Ų2555.1 Ų55.126%0.25834%0.337SS..EExtended strand (participates in β ladder)trans72.426.6170.400000115.9V956 K991G945-V956 PolarHBondContact N-O 2.83Å; G945-K991 VanDerWaalsContact CA-O 3.26Å; G945-K991 WeakPolarHBondContact CA-O 3.46Å; G945-K991 PolarHBondContact N-O 3.17Å
946K68.4Low73.9Confident91 Ų9152.1 Ų52.140%0.39631%0.305SS..EExtended strand (participates in β ladder)trans-116.6139.6171-72.5-169173.1-172.10111.3V956 Y958 Y1021K946-V956 PolarHBondContact O-N 3.34Å; K946-Y958 HydrophobicContact CD-CE1 4.48Å; K946-Y1021 HydrophobicContact CD-CE1 3.74Å; K946-Y1021 VanDerWaalsContact CD-OH 3.23Å; K946-Y1021 WeakPolarHBondContact CD-OH 3.46Å
947I72.5Confident74.9Confident91 Ų9149 Ų4947%0.46729%0.291SS..EExtended strand (participates in β ladder)trans-80.7138.1173.8-57.4175.6000108.7L955I947-L955 HydrophobicContact CG1-CD2 3.67Å
948L63.8Low75.8Confident34 Ų3448.6 Ų48.618%0.17829%0.285CS..PPolyproline II helixtrans-80.2132.9171.3-82.5170.7000110.8G950 S951 V956 L1017L948-G950 PolarHBondContact O-N 3.34Å; L948-S951 WeakPolarHBondContact CB-OG 3.42Å; L948-S951 PolarHBondContact N-OG 3.29Å; L948-S951 PolarHBondContact O-N 2.86Å; L948-S951 PolarHBondContact O-OG 3.02Å; L948-V956 HydrophobicContact CD1-CG1 3.85Å; L948-V956 HydrophobicContact CD1-CG2 4.11Å; L948-V956 HydrophobicContact CD2-CG2 4.47Å; L948-V956 HydrophobicContact CG-CG1 4.17Å; L948-V956 HydrophobicContact CG-CG2 3.8Å; L948-L1017 HydrophobicContact CD2-CD1 4.26Å; L948-L1017 HydrophobicContact CD2-CD2 3.51Å; L948-L1017 HydrophobicContact CD2-CG 3.76Å
949P58.2Low76.1Confident93 Ų9348.3 Ų48.360%0.60428%0.283SS*.THydrogen-bonded Turntrans-61.8127.7167.327.9-33.5000109.3S951 V1020P949-S951 VanDerWaalsContact C-N 3.34Å; P949-V1020 HydrophobicContact CG-CB 4.45Å; P949-V1020 HydrophobicContact CG-CG1 3.72Å; P949-V1020 HydrophobicContact CG-CG2 3.82Å
950G59.6Low76.3Confident91 Ų9149.4 Ų49.494%0.93829%0.292SS*.THydrogen-bonded Turntrans841.3-173.500000115.2L948L948-G950 PolarHBondContact O-N 3.34Å
951S58.3Low76.1Confident32 Ų3249.9 Ų49.922%0.22430%0.298CS..SBendtrans-93.6151.9160.572.20000111.2L948 P949 S953L948-S951 WeakPolarHBondContact CB-OG 3.42Å; L948-S951 PolarHBondContact N-OG 3.29Å; L948-S951 PolarHBondContact O-N 2.86Å; L948-S951 PolarHBondContact O-OG 3.02Å; P949-S951 VanDerWaalsContact C-N 3.34Å; S951-S953 PolarHBondContact O-N 3.21Å
952D60.9Low75.9Confident145 Ų14545.2 Ų45.278%0.77528%0.283SS*.SBendtrans-72.560.8174.143.4-35.9000112.2E954D952-E954 PolarHBondContact O-N 2.85Å
953S61.7Low75.7Confident91 Ų9148.4 Ų48.464%0.63629%0.294SS*.SBendtrans60.69.5175.5-620000116.6S951 L955S951-S953 PolarHBondContact O-N 3.21Å; S953-L955 PolarHBondContact O-N 3.31Å
954E70.7Confident75.5Confident98 Ų9855.7 Ų55.746%0.45833%0.325SS..  trans-64.8125.1176.1-71.3-150.5150.900111.9D952 V956 N989D952-E954 PolarHBondContact O-N 2.85Å; E954-V956 PolarHBondContact O-N 3.1Å; E954-N989 PolarHBondContact OE2-ND2 3.4Å; E954-N989 VanDerWaalsContact OE2-ND2 3.17Å
955L81.1Confident75.1Confident46 Ų4658 Ų5824%0.24135%0.349CS..EExtended strand (participates in β ladder)trans-70.6121.7165.9-61.7172.9000109.2I947 S953 N989 G990I947-L955 HydrophobicContact CG1-CD2 3.67Å; S953-L955 PolarHBondContact O-N 3.31Å; L955-N989 CarbonylContact O-C 3.6Å; L955-N989 WeakPolarHBondContact O-CA 3.32Å; L955-G990 PolarHBondContact O-N 2.69Å
956V83.9Confident75.1Confident3 Ų357.5 Ų57.52%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-108.4159.7177.4-54.30000112.2G945 K946 L948 E954 Q979G945-V956 PolarHBondContact N-O 2.83Å; K946-V956 PolarHBondContact O-N 3.34Å; L948-V956 HydrophobicContact CD1-CG1 3.85Å; L948-V956 HydrophobicContact CD1-CG2 4.11Å; L948-V956 HydrophobicContact CD2-CG2 4.47Å; L948-V956 HydrophobicContact CG-CG1 4.17Å; L948-V956 HydrophobicContact CG-CG2 3.8Å; E954-V956 PolarHBondContact O-N 3.1Å; V956-Q979 HydrophobicContact CB-CG 4.43Å
957T89.3Confident75.5Confident0 Ų056.3 Ų56.30%034%0.341CS..EExtended strand (participates in β ladder)trans-114.4139.9167.8-61.40000110V942 I943 G944 Q979 I980 L988 V996V942-T957 HydrophobicContact CG1-CG2 3.29Å; I943-T957 CarbonylContact O-C 3.53Å; I943-T957 WeakPolarHBondContact O-CA 3.43Å; G944-T957 WeakPolarHBondContact CA-OG1 3.49Å; T957-Q979 CarbonylContact O-C 3.52Å; T957-Q979 WeakPolarHBondContact O-CA 3.37Å; T957-Q979 WeakPolarHBondContact O-CG 3.26Å; T957-I980 HydrophobicContact CG2-CB 4.17Å; T957-I980 PolarHBondContact O-N 2.78Å; T957-L988 HydrophobicContact CG2-CD1 3.88Å; T957-L988 PolarHBondContact OG1-O 2.81Å; T957-V996 HydrophobicContact CG2-CG1 3.73Å; T957-V996 WeakPolarHBondContact OG1-CG2 3.39Å
958Y86.8Confident76Confident6 Ų652 Ų522%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-147.5159.3-176.869.8-77.7000112.9V942 I943 K946 A960 D978 L1017 Y1021V942-Y958 WeakPolarHBondContact CA-O 3.48Å; I943-Y958 HydrophobicContact CB-CD1 4.43Å; I943-Y958 HydrophobicContact CB-CE1 3.74Å; I943-Y958 HydrophobicContact CG2-CE1 3.77Å; I943-Y958 PolarHBondContact N-O 3.5Å; I943-Y958 VanDerWaalsContact O-CD1 3.28Å; I943-Y958 WeakPolarHBondContact O-CD1 3.48Å; I943-Y958 PolarHBondContact O-N 3.49Å; K946-Y958 HydrophobicContact CD-CE1 4.48Å; Y958-A960 HydrophobicContact CD2-CB 4.32Å; Y958-A960 HydrophobicContact CE2-CB 3.71Å; Y958-A960 PolarHBondContact O-N 2.92Å; Y958-D978 WeakPolarHBondContact CA-O 3.39Å; Y958-L1017 HydrophobicContact CD1-CD2 3.99Å; Y958-L1017 HydrophobicContact CD2-CB 4.4Å; Y958-L1017 HydrophobicContact CD2-CD2 4.17Å; Y958-L1017 HydrophobicContact CE1-CD2 4.47Å; Y958-L1017 HydrophobicContact CG-CD1 4.4Å; Y958-L1017 HydrophobicContact CG-CD2 3.86Å; Y958-Y1021 HydrophobicContact CD1-CE2 4.44Å; Y958-Y1021 HydrophobicContact CD2-CE2 4.12Å; Y958-Y1021 AromaticContact CE1-CE2 3.75Å; Y958-Y1021 HydrophobicContact CE1-CE2 3.75Å; Y958-Y1021 AromaticContact CE1-CZ 3.79Å; Y958-Y1021 WeakPolarHBondContact CE1-OH 3.46Å; Y958-Y1021 AromaticContact CE2-CD2 3.8Å; Y958-Y1021 HydrophobicContact CE2-CD2 3.8Å; Y958-Y1021 AromaticContact CE2-CE2 3.35Å; Y958-Y1021 HydrophobicContact CE2-CE2 3.35Å; Y958-Y1021 AromaticContact CZ-CD2 3.9Å; Y958-Y1021 AromaticContact CZ-CE2 3.14Å; Y958-Y1021 AromaticContact CZ-CZ 3.48Å; Y958-Y1021 VanDerWaalsContact CZ-CZ 3.48Å; Y958-Y1021 WeakPolarHBondContact OH-CE2 3.35Å; Y958-Y1021 VanDerWaalsContact OH-CZ 3.22Å
959V88.9Confident77Confident0 Ų052.5 Ų52.50%032%0.322CS..EExtended strand (participates in β ladder)trans-77.4111.3172.5-1790000108.8M940 V962 V974 G977 D978 I980M940-V959 HydrophobicContact CB-CG1 4.27Å; M940-V959 HydrophobicContact CE-CG2 4.26Å; M940-V959 HydrophobicContact SD-CG2 3.97Å; V959-V962 HydrophobicContact CG1-CG2 3.67Å; V959-V974 HydrophobicContact CB-CG1 4.49Å; V959-V974 HydrophobicContact CG1-CG1 4.41Å; V959-V974 HydrophobicContact CG2-CG1 3.78Å; V959-G977 PolarHBondContact O-N 2.89Å; V959-D978 HydrophobicContact CG2-CB 4.43Å; V959-D978 PolarHBondContact N-O 2.79Å; V959-I980 HydrophobicContact CG2-CD1 3.97Å; V959-I980 HydrophobicContact CG2-CG1 4.08Å
960A85.6Confident77.7Confident26 Ų2653.1 Ų53.122%0.21532%0.319CS..EExtended strand (participates in β ladder)trans-92.4-23-17500000113.8R941 I943 Y958R941-A960 PolarHBondContact O-N 3.11Å; I943-A960 HydrophobicContact CB-CB 4.21Å; I943-A960 HydrophobicContact CD1-CB 3.51Å; I943-A960 HydrophobicContact CG1-CB 3.64Å; Y958-A960 HydrophobicContact CD2-CB 4.32Å; Y958-A960 HydrophobicContact CE2-CB 3.71Å; Y958-A960 PolarHBondContact O-N 2.92Å
961A84.9Confident78.4Confident22 Ų2251.1 Ų51.118%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-154.8149.2171.900000110.9M940 R941 E976M940-A961 CarbonylContact C-O 3.59Å; M940-A961 WeakPolarHBondContact CA-O 3.25Å; R941-A961 HydrophobicContact CB-CB 4.03Å; R941-A961 PolarHBondContact N-O 3.23Å; R941-A961 PolarHBondContact O-N 2.75Å; A961-E976 WeakPolarHBondContact CA-OE1 3.33Å
962V85.3Confident79.2Confident20 Ų2052 Ų5212%0.12130%0.3CS..EExtended strand (participates in β ladder)trans-121.2117.6170.8175.90000109.5V959 V968 D969 E976V959-V962 HydrophobicContact CG1-CG2 3.67Å; V962-V968 HydrophobicContact CG1-CB 4.49Å; V962-V968 HydrophobicContact CG1-CG1 3.87Å; V962-V968 HydrophobicContact CG2-CG1 4.1Å; V962-D969 HydrophobicContact CG1-CB 3.88Å; V962-E976 HydrophobicContact CB-CG 4.13Å; V962-E976 HydrophobicContact CG2-CG 3.91Å; V962-E976 PolarHBondContact N-OE1 3.09Å
963Y84.6Confident80Confident80 Ų8047.9 Ų47.931%0.31428%0.276SS..  trans-84.4131-174-62-79.9000111.3H936 G939 R941 G966 D969H936-Y963 HydrophobicContact CB-CD2 4.37Å; H936-Y963 HydrophobicContact CB-CE2 4.21Å; H936-Y963 AromaticContact CD2-CE2 3.34Å; H936-Y963 WeakPolarHBondContact CD2-CE2 3.36Å; H936-Y963 AromaticContact CD2-CZ 3.42Å; H936-Y963 VanDerWaalsContact CD2-CZ 3.42Å; H936-Y963 PolarHBondContact CD2-OH 2.82Å; H936-Y963 AromaticContact CG-CE2 3.93Å; H936-Y963 AromaticContact NE2-CZ 3.81Å; H936-Y963 PolarHBondContact NE2-OH 2.81Å; G939-Y963 PolarHBondContact O-N 3.26Å; R941-Y963 HydrophobicContact CB-CE2 3.98Å; Y963-G966 PolarHBondContact O-N 2.85Å; Y963-G966 VanDerWaalsContact O-N 3.08Å; Y963-D969 WeakPolarHBondContact O-CB 3.37Å
964K82.1Confident81.1Confident174 Ų17443.9 Ų43.976%0.75725%0.248SC*.THydrogen-bonded Turntrans-65.6134-174.1-69.3-53.9-172.1-179.80113.1G966 D969K964-G966 PolarHBondContact O-N 2.76Å; K964-D969 WeakPolarHBondContact CA-OD2 3.27Å; K964-D969 WeakPolarHBondContact CD-OD1 3.14Å; K964-D969 WeakPolarHBondContact CD-OD2 3.38Å; K964-D969 IonicContact NZ-OD1 2.85Å; K964-D969 PolarHBondContact NZ-OD1 3.08Å; K964-D969 IonicContact NZ-OD2 2.82Å
965G75.3Confident81.6Confident51 Ų5146.2 Ų46.253%0.52626%0.256SS..THydrogen-bonded Turntrans75.2-4.7-172.900000115.1D969 L970G965-D969 PolarHBondContact N-OD2 2.9Å; G965-L970 WeakPolarHBondContact O-CD1 3.31Å
966G75.9Confident81.8Confident13 Ų1348.1 Ų48.113%0.13426%0.264CS..SBendtrans-69.8161.1172.700000112.4Y963 K964 V968 D969 L970Y963-G966 PolarHBondContact O-N 2.85Å; Y963-G966 VanDerWaalsContact O-N 3.08Å; K964-G966 PolarHBondContact O-N 2.76Å; G966-V968 PolarHBondContact O-N 3.42Å; G966-V968 VanDerWaalsContact O-N 3.12Å; G966-D969 WeakPolarHBondContact O-CB 3.35Å; G966-D969 PolarHBondContact O-N 3.12Å; G966-L970 WeakPolarHBondContact O-CG 3.35Å; G966-L970 PolarHBondContact O-N 3.49Å
967L76.3Confident81.6Confident67 Ų6748 Ų4835%0.35126%0.264SS..Hα-helixtrans-53.8-38.7-174.4-63.7167.4000113.2V927 D929 L938 L970 M971V927-L967 WeakPolarHBondContact O-CD1 3.37Å; D929-L967 HydrophobicContact CB-CD1 4.5Å; L938-L967 WeakPolarHBondContact O-CB 3.39Å; L938-L967 PolarHBondContact O-N 3.43Å; L967-L970 PolarHBondContact O-N 3.34Å; L967-M971 WeakPolarHBondContact O-CG 3.25Å; L967-M971 PolarHBondContact O-N 2.96Å
968V83.6Confident81.6Confident0 Ų048.6 Ų48.60%027%0.267CS..Hα-helixtrans-65.6-44.1176.7169.10000112.7L926 L938 M940 V962 G966 L970 M971 G972 V974L926-V968 HydrophobicContact CD2-CG2 3.52Å; L938-V968 HydrophobicContact CB-CG2 4.22Å; L938-V968 WeakPolarHBondContact O-CB 3.38Å; L938-V968 WeakPolarHBondContact O-CG2 3.27Å; L938-V968 PolarHBondContact O-N 2.89Å; M940-V968 HydrophobicContact CB-CB 4.44Å; M940-V968 HydrophobicContact CB-CG1 4.35Å; M940-V968 HydrophobicContact CB-CG2 4.17Å; M940-V968 HydrophobicContact CE-CB 4.36Å; M940-V968 HydrophobicContact CE-CG1 3.99Å; M940-V968 HydrophobicContact CE-CG2 3.39Å; M940-V968 HydrophobicContact CG-CG2 4.07Å; V962-V968 HydrophobicContact CG1-CB 4.49Å; V962-V968 HydrophobicContact CG1-CG1 3.87Å; V962-V968 HydrophobicContact CG2-CG1 4.1Å; G966-V968 PolarHBondContact O-N 3.42Å; G966-V968 VanDerWaalsContact O-N 3.12Å; V968-L970 VanDerWaalsContact C-N 3.35Å; V968-M971 PolarHBondContact O-N 3.08Å; V968-G972 PolarHBondContact O-N 2.91Å; V968-G972 VanDerWaalsContact O-N 3.13Å; V968-V974 HydrophobicContact CG1-CB 3.69Å; V968-V974 HydrophobicContact CG1-CG1 4.26Å; V968-V974 HydrophobicContact CG1-CG2 4.07Å
969D83.1Confident81.6Confident45 Ų4548.7 Ų48.724%0.24127%0.267CS..Hα-helixtrans-66.1-39176.7-170.858.3000111V962 Y963 K964 G965 G966 M971 G972V962-D969 HydrophobicContact CG1-CB 3.88Å; Y963-D969 WeakPolarHBondContact O-CB 3.37Å; K964-D969 WeakPolarHBondContact CA-OD2 3.27Å; K964-D969 WeakPolarHBondContact CD-OD1 3.14Å; K964-D969 WeakPolarHBondContact CD-OD2 3.38Å; K964-D969 IonicContact NZ-OD1 2.85Å; K964-D969 PolarHBondContact NZ-OD1 3.08Å; K964-D969 IonicContact NZ-OD2 2.82Å; G965-D969 PolarHBondContact N-OD2 2.9Å; G966-D969 WeakPolarHBondContact O-CB 3.35Å; G966-D969 PolarHBondContact O-N 3.12Å; D969-M971 VanDerWaalsContact C-N 3.31Å; D969-M971 PolarHBondContact O-N 3.33Å; D969-G972 PolarHBondContact O-N 3.01Å; D969-G972 VanDerWaalsContact O-N 3.15Å
970L74.5Confident81.6Confident105 Ų10548.7 Ų48.755%0.5527%0.267SS..Hα-helixtrans-68.4-24175.1-67.1175.9000114G965 G966 L967 V968G965-L970 WeakPolarHBondContact O-CD1 3.31Å; G966-L970 WeakPolarHBondContact O-CG 3.35Å; G966-L970 PolarHBondContact O-N 3.49Å; L967-L970 PolarHBondContact O-N 3.34Å; V968-L970 VanDerWaalsContact C-N 3.35Å
971M72.6Confident81.7Confident50 Ų5048.5 Ų48.525%0.24626%0.262CS..Hα-helixtrans-77.4-35.9168.4-75.4-17768.800111.8L924 L926 L967 V968 D969 E973L924-M971 HydrophobicContact CD1-CE 4.28Å; L924-M971 HydrophobicContact CD2-CE 4.36Å; L926-M971 HydrophobicContact CD2-SD 4.13Å; L926-M971 HydrophobicContact CG-SD 4.11Å; L967-M971 WeakPolarHBondContact O-CG 3.25Å; L967-M971 PolarHBondContact O-N 2.96Å; V968-M971 PolarHBondContact O-N 3.08Å; D969-M971 VanDerWaalsContact C-N 3.31Å; D969-M971 PolarHBondContact O-N 3.33Å; M971-E973 HydrophobicContact CB-CB 4.45Å; M971-E973 HydrophobicContact CB-CG 4.45Å; M971-E973 HydrophobicContact CE-CB 4.45Å; M971-E973 HydrophobicContact CE-CG 4.34Å; M971-E973 VanDerWaalsContact CE-OE1 3.29Å; M971-E973 WeakPolarHBondContact CE-OE1 3.3Å; M971-E973 PolarHBondContact O-N 2.79Å
972G75.3Confident81.9Confident49 Ų4948.7 Ų48.751%0.50526%0.26SS..  trans66.41-174.900000114.9V968 D969V968-G972 PolarHBondContact O-N 2.91Å; V968-G972 VanDerWaalsContact O-N 3.13Å; D969-G972 PolarHBondContact O-N 3.01Å; D969-G972 VanDerWaalsContact O-N 3.15Å
973E77.8Confident82Confident60 Ų6047.8 Ų47.828%0.2825%0.254SS..  trans-81.6-18.6-176.3-68.7-162.5-120.800114K922 L924 M971K922-E973 PolarHBondContact NZ-O 2.76Å; L924-E973 HydrophobicContact CD1-CB 4Å; L924-E973 HydrophobicContact CD2-CB 4.48Å; L924-E973 WeakPolarHBondContact CD2-OE2 3.46Å; M971-E973 HydrophobicContact CB-CB 4.45Å; M971-E973 HydrophobicContact CB-CG 4.45Å; M971-E973 HydrophobicContact CE-CB 4.45Å; M971-E973 HydrophobicContact CE-CG 4.34Å; M971-E973 VanDerWaalsContact CE-OE1 3.29Å; M971-E973 WeakPolarHBondContact CE-OE1 3.3Å; M971-E973 PolarHBondContact O-N 2.79Å
974V84.7Confident82Confident7 Ų745.9 Ų45.94%0.04225%0.249CC..  trans-115.9144.2-179.2-170.30000109.3L924 M940 V959 V968 D978 I1011L924-V974 HydrophobicContact CD1-CG2 3.42Å; L924-V974 VanDerWaalsContact CD1-CG2 3.42Å; M940-V974 HydrophobicContact CE-CG1 4.09Å; M940-V974 HydrophobicContact CE-CG2 4.39Å; V959-V974 HydrophobicContact CB-CG1 4.49Å; V959-V974 HydrophobicContact CG1-CG1 4.41Å; V959-V974 HydrophobicContact CG2-CG1 3.78Å; V968-V974 HydrophobicContact CG1-CB 3.69Å; V968-V974 HydrophobicContact CG1-CG1 4.26Å; V968-V974 HydrophobicContact CG1-CG2 4.07Å; V974-D978 WeakPolarHBondContact CA-OD2 3.22Å; V974-D978 HydrophobicContact CG1-CB 4.26Å; V974-I1011 HydrophobicContact CB-CD1 4.22Å; V974-I1011 HydrophobicContact CG1-CD1 3.83Å; V974-I1011 HydrophobicContact CG2-CD1 3.47Å; V974-I1011 VanDerWaalsContact CG2-CD1 3.47Å
975K82.5Confident81.6Confident146 Ų14639.3 Ų39.364%0.63523%0.231SC*.  trans-127.3160.9174.6-63.2-174.1178.8-175.20111.2D978K975-D978 PolarHBondContact N-OD2 2.83Å; K975-D978 VanDerWaalsContact O-CB 3.27Å; K975-D978 WeakPolarHBondContact O-CB 3.36Å; K975-D978 PolarHBondContact O-N 2.93Å; K975-D978 VanDerWaalsContact O-N 3.15Å
976E84.5Confident82Confident86 Ų8640.1 Ų40.140%0.40222%0.223SC..THydrogen-bonded Turntrans-60137.4168.6-57.6-178164.900109.9A961 V962 D978 N1018A961-E976 WeakPolarHBondContact CA-OE1 3.33Å; V962-E976 HydrophobicContact CB-CG 4.13Å; V962-E976 HydrophobicContact CG2-CG 3.91Å; V962-E976 PolarHBondContact N-OE1 3.09Å; E976-D978 VanDerWaalsContact C-N 3.35Å; E976-N1018 VanDerWaalsContact CB-ND2 3.28Å; E976-N1018 WeakPolarHBondContact CB-ND2 3.47Å; E976-N1018 PolarHBondContact OE2-ND2 2.95Å
977G80.8Confident82.4Confident1 Ų143.7 Ų43.71%0.0124%0.236CC..THydrogen-bonded Turntrans86.4-7.8-172.500000115.2V959 Q979 L1017 N1018V959-G977 PolarHBondContact O-N 2.89Å; G977-Q979 PolarHBondContact O-N 2.8Å; G977-L1017 WeakPolarHBondContact O-CB 3.37Å; G977-L1017 WeakPolarHBondContact O-CD1 3.21Å; G977-N1018 WeakPolarHBondContact CA-OD1 3.48Å; G977-N1018 PolarHBondContact N-OD1 3.27Å; G977-N1018 VanDerWaalsContact N-OD1 3.11Å
978D87.9Confident82.9Confident12 Ų1240.5 Ų40.56%0.06422%0.219CC..PPolyproline II helixtrans-63.7129.2172.1-82.7-18000110.7Y958 V959 V974 K975 E976 I1011 S1013Y958-D978 WeakPolarHBondContact CA-O 3.39Å; V959-D978 HydrophobicContact CG2-CB 4.43Å; V959-D978 PolarHBondContact N-O 2.79Å; V974-D978 WeakPolarHBondContact CA-OD2 3.22Å; V974-D978 HydrophobicContact CG1-CB 4.26Å; K975-D978 PolarHBondContact N-OD2 2.83Å; K975-D978 VanDerWaalsContact O-CB 3.27Å; K975-D978 WeakPolarHBondContact O-CB 3.36Å; K975-D978 PolarHBondContact O-N 2.93Å; K975-D978 VanDerWaalsContact O-N 3.15Å; E976-D978 VanDerWaalsContact C-N 3.35Å; D978-I1011 HydrophobicContact CB-CG2 3.69Å; D978-S1013 WeakPolarHBondContact OD1-CA 3.35Å; D978-S1013 WeakPolarHBondContact OD1-CB 3.5Å; D978-S1013 PolarHBondContact OD1-OG 2.88Å
979Q87.4Confident82.8Confident8 Ų842.1 Ų42.14%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-81.6129.7-179.5-179.9-1763.400110V956 T957 G977 L981 N989 I1011 K1012 L1017V956-Q979 HydrophobicContact CB-CG 4.43Å; T957-Q979 CarbonylContact O-C 3.52Å; T957-Q979 WeakPolarHBondContact O-CA 3.37Å; T957-Q979 WeakPolarHBondContact O-CG 3.26Å; G977-Q979 PolarHBondContact O-N 2.8Å; Q979-L981 HydrophobicContact CG-CD2 3.98Å; Q979-N989 PolarHBondContact NE2-OD1 2.75Å; Q979-I1011 CarbonylContact O-C 3.52Å; Q979-I1011 WeakPolarHBondContact O-CA 3.47Å; Q979-K1012 HydrophobicContact CB-CB 4.28Å; Q979-K1012 PolarHBondContact N-O 2.87Å; Q979-K1012 VanDerWaalsContact N-O 3.15Å; Q979-K1012 PolarHBondContact O-N 2.84Å; Q979-L1017 HydrophobicContact CB-CD1 4.32Å
980I89.4Confident82.7Confident0 Ų042.5 Ų42.50%024%0.243CC..EExtended strand (participates in β ladder)trans-95.1123.8173.5-50.8-176.1000108.9M940 V942 T957 V959 E982 W983 L988 L1010M940-I980 HydrophobicContact SD-CD1 4.34Å; V942-I980 HydrophobicContact CB-CD1 4.46Å; V942-I980 HydrophobicContact CG1-CD1 3.87Å; V942-I980 HydrophobicContact CG2-CD1 3.67Å; T957-I980 HydrophobicContact CG2-CB 4.17Å; T957-I980 PolarHBondContact O-N 2.78Å; V959-I980 HydrophobicContact CG2-CD1 3.97Å; V959-I980 HydrophobicContact CG2-CG1 4.08Å; I980-E982 WeakPolarHBondContact CG2-O 3.5Å; I980-W983 HydrophobicContact CD1-CZ3 4.39Å; I980-L988 HydrophobicContact CG2-CD1 3.97Å; I980-L1010 CarbonylContact C-O 3.55Å; I980-L1010 WeakPolarHBondContact CA-O 3.28Å
981L87.1Confident83.2Confident22 Ų2239.7 Ų39.712%0.11523%0.226CC..EExtended strand (participates in β ladder)trans-100.6-42.5-177.9-62.7-175.7000112.8L921 Q979 Q987 L988 N989 L1010 K1012L921-L981 HydrophobicContact CD2-CD1 3.47Å; L921-L981 VanDerWaalsContact CD2-CD1 3.47Å; Q979-L981 HydrophobicContact CG-CD2 3.98Å; L981-Q987 CarbonylContact O-C 3.49Å; L981-Q987 WeakPolarHBondContact O-CA 3.45Å; L981-Q987 PolarHBondContact O-NE2 3.4Å; L981-Q987 PolarHBondContact O-OE1 2.92Å; L981-L988 PolarHBondContact O-N 3.15Å; L981-N989 VanDerWaalsContact CD2-OD1 3.25Å; L981-N989 WeakPolarHBondContact CD2-OD1 3.41Å; L981-L1010 HydrophobicContact CB-CD2 3.9Å; L981-L1010 HydrophobicContact CB-CG 4.32Å; L981-L1010 HydrophobicContact CD1-CD2 4.21Å; L981-L1010 PolarHBondContact N-O 2.86Å; L981-K1012 HydrophobicContact CD1-CB 4.06Å; L981-K1012 HydrophobicContact CD1-CD 4.47Å; L981-K1012 HydrophobicContact CG-CB 4.21Å
982E89.4Confident83.9Confident27 Ų2740.2 Ų40.213%0.12623%0.232CC..EExtended strand (participates in β ladder)trans-128.9151.8176.5-60.1170.7-147.800110.9R923 I980 I986 I1009 L1010R923-E982 IonicContact CZ-OE1 2.81Å; R923-E982 IonicContact CZ-OE2 3.1Å; R923-E982 VanDerWaalsContact CZ-OE2 3.24Å; R923-E982 IonicContact NH1-OE2 3.85Å; R923-E982 PolarHBondContact NH1-OE2 2.9Å; R923-E982 IonicContact NH2-OE1 3.45Å; R923-E982 PolarHBondContact NH2-OE1 3.38Å; R923-E982 IonicContact NH2-OE2 3.22Å; R923-E982 PolarHBondContact NH2-OE2 2.91Å; I980-E982 WeakPolarHBondContact CG2-O 3.5Å; E982-I986 CarbonylContact C-O 3.58Å; E982-I986 VanDerWaalsContact CA-O 3.3Å; E982-I986 WeakPolarHBondContact CA-O 3.33Å; E982-I1009 WeakPolarHBondContact O-CA 3.45Å; E982-L1010 HydrophobicContact CB-CB 3.68Å; E982-L1010 HydrophobicContact CB-CD2 4.37Å; E982-L1010 HydrophobicContact CG-CB 4.08Å; E982-L1010 HydrophobicContact CG-CD2 3.83Å; E982-L1010 PolarHBondContact O-N 3.01Å; E982-L1010 WeakPolarHBondContact OE1-CD2 3.37Å
983W87.7Confident84.4Confident1 Ų143 Ų430%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-138114173.3-175.5-75.1000109.5L938 V942 I980 G985 I986 L988 V999 I1000 T1003 V1007 I1009L938-W983 HydrophobicContact CD1-CH2 3.66Å; L938-W983 HydrophobicContact CD1-CZ2 4.37Å; L938-W983 HydrophobicContact CD1-CZ3 4.43Å; V942-W983 HydrophobicContact CG2-CZ3 4.31Å; I980-W983 HydrophobicContact CD1-CZ3 4.39Å; W983-G985 PolarHBondContact O-N 3.36Å; W983-I986 PolarHBondContact N-O 2.94Å; W983-I986 WeakPolarHBondContact O-CB 3.49Å; W983-I986 WeakPolarHBondContact O-CG1 3.26Å; W983-I986 PolarHBondContact O-N 2.98Å; W983-L988 HydrophobicContact CB-CD1 3.79Å; W983-L988 HydrophobicContact CB-CD2 4.14Å; W983-L988 HydrophobicContact CB-CG 4.01Å; W983-V999 HydrophobicContact CB-CG1 4.14Å; W983-V999 VanDerWaalsContact CD1-CG1 3.46Å; W983-V999 HydrophobicContact CG-CG1 3.92Å; W983-I1000 HydrophobicContact CD2-CG1 4.11Å; W983-I1000 HydrophobicContact CE3-CG1 4.13Å; W983-I1000 HydrophobicContact CH2-CG1 3.94Å; W983-I1000 HydrophobicContact CH2-CG2 4.24Å; W983-I1000 HydrophobicContact CZ2-CB 4.21Å; W983-I1000 HydrophobicContact CZ2-CG1 3.9Å; W983-I1000 HydrophobicContact CZ2-CG2 4.17Å; W983-I1000 HydrophobicContact CZ3-CD1 4.48Å; W983-I1000 HydrophobicContact CZ3-CG1 4.05Å; W983-T1003 PolarHBondContact NE1-OG1 2.86Å; W983-V1007 HydrophobicContact CD2-CG1 3.84Å; W983-V1007 HydrophobicContact CE3-CG1 4.38Å; W983-V1007 HydrophobicContact CG-CG1 4.3Å; W983-V1007 HydrophobicContact CH2-CG1 4.15Å; W983-V1007 HydrophobicContact CZ2-CG1 3.57Å; W983-V1007 HydrophobicContact CZ2-CG2 4.22Å; W983-I1009 HydrophobicContact CD2-CG2 3.93Å; W983-I1009 HydrophobicContact CE3-CG2 3.42Å; W983-I1009 VanDerWaalsContact CE3-CG2 3.42Å; W983-I1009 HydrophobicContact CH2-CG2 4.47Å; W983-I1009 HydrophobicContact CZ3-CG2 3.73Å
984N83Confident84.9Confident40 Ų4047.6 Ų47.621%0.21425%0.249CC..THydrogen-bonded Turntrans5037.8-167.1-75.2-7.5000113.1I986 T1003 E1006 V1007 E1008N984-I986 PolarHBondContact O-N 3.3Å; N984-T1003 WeakPolarHBondContact ND2-CG2 3.44Å; N984-E1006 PolarHBondContact ND2-O 2.99Å; N984-V1007 WeakPolarHBondContact OD1-CA 3.17Å; N984-E1008 PolarHBondContact N-O 3.12Å; N984-E1008 PolarHBondContact OD1-N 3Å
985G74.4Confident85Confident36 Ų3651.5 Ų51.537%0.37127%0.267SS..THydrogen-bonded Turntrans76.6-1-17600000115.1W983W983-G985 PolarHBondContact O-N 3.36Å
986I83.1Confident85.3Confident68 Ų6844.6 Ų44.635%0.34924%0.237SC..EExtended strand (participates in β ladder)trans-85.4116.6175.8-55.6170.7000108.5E982 W983 N984 V999E982-I986 CarbonylContact C-O 3.58Å; E982-I986 VanDerWaalsContact CA-O 3.3Å; E982-I986 WeakPolarHBondContact CA-O 3.33Å; W983-I986 PolarHBondContact N-O 2.94Å; W983-I986 WeakPolarHBondContact O-CB 3.49Å; W983-I986 WeakPolarHBondContact O-CG1 3.26Å; W983-I986 PolarHBondContact O-N 2.98Å; N984-I986 PolarHBondContact O-N 3.3Å; I986-V999 HydrophobicContact CD1-CG1 4.13Å; I986-V999 HydrophobicContact CD1-CG2 4.45Å; I986-V999 HydrophobicContact CG2-CG2 4.27Å
987Q85.8Confident85.5Confident87 Ų8743 Ų4341%0.40723%0.23SC..EExtended strand (participates in β ladder)trans-59.2137.6174.8-165.469.71600111.1L981 N989 K991L981-Q987 CarbonylContact O-C 3.49Å; L981-Q987 WeakPolarHBondContact O-CA 3.45Å; L981-Q987 PolarHBondContact O-NE2 3.4Å; L981-Q987 PolarHBondContact O-OE1 2.92Å; Q987-N989 HydrophobicContact CG-CB 4.35Å; Q987-K991 WeakPolarHBondContact O-CD 3.41Å; Q987-K991 VanDerWaalsContact O-CE 3.23Å; Q987-K991 WeakPolarHBondContact O-CE 3.41Å; Q987-K991 PolarHBondContact O-NZ 3.27Å
988L85.4Confident85.7Confident0 Ų050.6 Ų50.60%026%0.263CS..  trans-112.6-8.5179-59.6-166.1000114.4T957 I980 L981 W983 K991 V996 V999T957-L988 HydrophobicContact CG2-CD1 3.88Å; T957-L988 PolarHBondContact OG1-O 2.81Å; I980-L988 HydrophobicContact CG2-CD1 3.97Å; L981-L988 PolarHBondContact O-N 3.15Å; W983-L988 HydrophobicContact CB-CD1 3.79Å; W983-L988 HydrophobicContact CB-CD2 4.14Å; W983-L988 HydrophobicContact CB-CG 4.01Å; L988-K991 HydrophobicContact CD2-CD 4.38Å; L988-V996 HydrophobicContact CB-CG2 4.47Å; L988-V996 HydrophobicContact CD1-CG1 4.32Å; L988-V996 HydrophobicContact CD2-CG2 4.4Å; L988-V999 HydrophobicContact CD2-CB 4.46Å; L988-V999 HydrophobicContact CD2-CG1 4.14Å
989N82.2Confident85.6Confident34 Ų3450.8 Ų50.818%0.18226%0.264CS..THydrogen-bonded Turntrans-65.9148.1164.7-74.326.7000110.2E954 L955 Q979 L981 Q987 K991E954-N989 PolarHBondContact OE2-ND2 3.4Å; E954-N989 VanDerWaalsContact OE2-ND2 3.17Å; L955-N989 CarbonylContact O-C 3.6Å; L955-N989 WeakPolarHBondContact O-CA 3.32Å; Q979-N989 PolarHBondContact NE2-OD1 2.75Å; L981-N989 VanDerWaalsContact CD2-OD1 3.25Å; L981-N989 WeakPolarHBondContact CD2-OD1 3.41Å; Q987-N989 HydrophobicContact CG-CB 4.35Å; N989-K991 PolarHBondContact O-N 3.38Å
990G81Confident85.5Confident54 Ų5451 Ų5156%0.55727%0.266SS*.THydrogen-bonded Turntrans75.1-0.2179.900000114.8L955L955-G990 PolarHBondContact O-N 2.69Å
991K85.6Confident85.1Confident45 Ų4556 Ų5620%0.19629%0.293CS..  trans-97.7148.2-176.1-71.9-170.1172.4164.80113.8G945 Q987 L988 N989 E995 V996G945-K991 VanDerWaalsContact CA-O 3.26Å; G945-K991 WeakPolarHBondContact CA-O 3.46Å; G945-K991 PolarHBondContact N-O 3.17Å; Q987-K991 WeakPolarHBondContact O-CD 3.41Å; Q987-K991 VanDerWaalsContact O-CE 3.23Å; Q987-K991 WeakPolarHBondContact O-CE 3.41Å; Q987-K991 PolarHBondContact O-NZ 3.27Å; L988-K991 HydrophobicContact CD2-CD 4.38Å; N989-K991 PolarHBondContact O-N 3.38Å; K991-E995 HydrophobicContact CB-CB 4.21Å; K991-E995 HydrophobicContact CD-CB 4.21Å; K991-E995 HydrophobicContact CG-CB 4.46Å; K991-V996 HydrophobicContact CB-CG2 3.72Å
992T86.5Confident84.7Confident61 Ų6159 Ų5937%0.37432%0.315SS..  trans-70.6162.9172.463.50000111.8E994 E995 V996T992-E994 VanDerWaalsContact C-N 3.26Å; T992-E994 PolarHBondContact O-N 3.4Å; T992-E995 WeakPolarHBondContact CB-OE2 3.45Å; T992-E995 PolarHBondContact N-OE2 2.66Å; T992-E995 PolarHBondContact O-N 3.3Å; T992-E995 VanDerWaalsContact OG1-CG 3.27Å; T992-E995 WeakPolarHBondContact OG1-CG 3.5Å; T992-E995 PolarHBondContact OG1-N 3.15Å; T992-E995 PolarHBondContact OG1-OE2 3.08Å; T992-V996 WeakPolarHBondContact O-CG2 3.28Å; T992-V996 PolarHBondContact O-N 3.18Å; T992-V996 VanDerWaalsContact O-N 3.07Å
993Y85.6Confident84Confident109 Ų10958.4 Ų58.443%0.42731%0.313SS..Hα-helixtrans-55.3-42.6173.9175.2-96.6000112I943 V996 Q997I943-Y993 HydrophobicContact CG2-CD2 4.35Å; Y993-V996 PolarHBondContact O-N 3.25Å; Y993-Q997 VanDerWaalsContact O-CB 3.26Å; Y993-Q997 WeakPolarHBondContact O-CB 3.3Å; Y993-Q997 PolarHBondContact O-N 2.89Å
994E88.1Confident83.2Confident155 Ų15565.9 Ų65.972%0.72435%0.348SS*.Hα-helixtrans-65.8-42.3-178.7-63179.9-169.400112.4T992 K998T992-E994 VanDerWaalsContact C-N 3.26Å; T992-E994 PolarHBondContact O-N 3.4Å; E994-K998 WeakPolarHBondContact O-CB 3.34Å; E994-K998 PolarHBondContact O-N 3.11Å
995E87.7Confident82.7Confident89 Ų8964.8 Ų64.842%0.41635%0.346SS..Hα-helixtrans-67.1-40.3176.8-69.6168.7113.900112.3K991 T992 V999K991-E995 HydrophobicContact CB-CB 4.21Å; K991-E995 HydrophobicContact CD-CB 4.21Å; K991-E995 HydrophobicContact CG-CB 4.46Å; T992-E995 WeakPolarHBondContact CB-OE2 3.45Å; T992-E995 PolarHBondContact N-OE2 2.66Å; T992-E995 PolarHBondContact O-N 3.3Å; T992-E995 VanDerWaalsContact OG1-CG 3.27Å; T992-E995 WeakPolarHBondContact OG1-CG 3.5Å; T992-E995 PolarHBondContact OG1-N 3.15Å; T992-E995 PolarHBondContact OG1-OE2 3.08Å; E995-V999 WeakPolarHBondContact O-CG2 3.39Å; E995-V999 PolarHBondContact O-N 3.13Å
996V88.6Confident82.7Confident2 Ų266.8 Ų66.81%0.01235%0.346CS..Hα-helixtrans-65.4-47.8176.8168.90000110.1V942 T957 L988 K991 T992 Y993 K998 V999 I1000V942-V996 HydrophobicContact CG1-CG1 4.46Å; T957-V996 HydrophobicContact CG2-CG1 3.73Å; T957-V996 WeakPolarHBondContact OG1-CG2 3.39Å; L988-V996 HydrophobicContact CB-CG2 4.47Å; L988-V996 HydrophobicContact CD1-CG1 4.32Å; L988-V996 HydrophobicContact CD2-CG2 4.4Å; K991-V996 HydrophobicContact CB-CG2 3.72Å; T992-V996 WeakPolarHBondContact O-CG2 3.28Å; T992-V996 PolarHBondContact O-N 3.18Å; T992-V996 VanDerWaalsContact O-N 3.07Å; Y993-V996 PolarHBondContact O-N 3.25Å; V996-K998 PolarHBondContact O-N 3.22Å; V996-V999 PolarHBondContact O-N 3.23Å; V996-I1000 HydrophobicContact CG1-CD1 3.68Å; V996-I1000 WeakPolarHBondContact O-CB 3.23Å; V996-I1000 WeakPolarHBondContact O-CD1 3.36Å; V996-I1000 WeakPolarHBondContact O-CG1 3.39Å; V996-I1000 PolarHBondContact O-N 3.1Å
997Q88.1Confident82.6Confident52 Ų5263.6 Ų63.624%0.24333%0.329CS..Hα-helixtrans-61.8-42.8176.8-169.858.743.800111.3Y993 V999 I1000 D1001Y993-Q997 VanDerWaalsContact O-CB 3.26Å; Y993-Q997 WeakPolarHBondContact O-CB 3.3Å; Y993-Q997 PolarHBondContact O-N 2.89Å; Q997-V999 PolarHBondContact O-N 3.34Å; Q997-I1000 WeakPolarHBondContact O-CB 3.45Å; Q997-I1000 PolarHBondContact O-N 3.14Å; Q997-D1001 WeakPolarHBondContact CG-OD2 3.48Å; Q997-D1001 PolarHBondContact NE2-OD1 3.06Å; Q997-D1001 PolarHBondContact NE2-OD2 2.94Å; Q997-D1001 WeakPolarHBondContact O-CB 3.38Å; Q997-D1001 PolarHBondContact O-N 2.68Å
998K85Confident82.4Confident160 Ų16060.8 Ų60.870%0.69632%0.316SS*.Hα-helixtrans-60.3-42.2174.6-177.5177.1-179.3178.40112.7E994 V996 S1002E994-K998 WeakPolarHBondContact O-CB 3.34Å; E994-K998 PolarHBondContact O-N 3.11Å; V996-K998 PolarHBondContact O-N 3.22Å; K998-S1002 WeakPolarHBondContact O-CB 3.44Å; K998-S1002 PolarHBondContact O-N 3.13Å; K998-S1002 PolarHBondContact O-OG 3.15Å; K998-S1002 VanDerWaalsContact O-OG 3.14Å
999V86.6Confident82.5Confident17 Ų1760.8 Ų60.810%0.10332%0.316CS..Hα-helixtrans-62.3-48.1174.1166.60000110.3W983 I986 L988 E995 V996 Q997 D1001 S1002 T1003W983-V999 HydrophobicContact CB-CG1 4.14Å; W983-V999 VanDerWaalsContact CD1-CG1 3.46Å; W983-V999 HydrophobicContact CG-CG1 3.92Å; I986-V999 HydrophobicContact CD1-CG1 4.13Å; I986-V999 HydrophobicContact CD1-CG2 4.45Å; I986-V999 HydrophobicContact CG2-CG2 4.27Å; L988-V999 HydrophobicContact CD2-CB 4.46Å; L988-V999 HydrophobicContact CD2-CG1 4.14Å; E995-V999 WeakPolarHBondContact O-CG2 3.39Å; E995-V999 PolarHBondContact O-N 3.13Å; V996-V999 PolarHBondContact O-N 3.23Å; Q997-V999 PolarHBondContact O-N 3.34Å; V999-D1001 PolarHBondContact O-N 3.27Å; V999-S1002 PolarHBondContact O-N 3.08Å; V999-S1002 PolarHBondContact O-OG 3.43Å; V999-T1003 PolarHBondContact O-N 3.45Å
1000I85.6Confident82.7Confident12 Ų1259.4 Ų59.46%0.06231%0.309CS..Hα-helixtrans-59.1-46.2179.1-71.4169.3000111.5R928 V942 W983 V996 Q997 T1003R928-I1000 VanDerWaalsContact CZ-O 3.24Å; R928-I1000 PolarHBondContact NH1-O 2.96Å; R928-I1000 VanDerWaalsContact NH2-CG2 3.26Å; R928-I1000 PolarHBondContact NH2-O 2.8Å; V942-I1000 HydrophobicContact CB-CD1 3.75Å; V942-I1000 HydrophobicContact CG1-CD1 3.67Å; V942-I1000 HydrophobicContact CG2-CD1 4.38Å; W983-I1000 HydrophobicContact CD2-CG1 4.11Å; W983-I1000 HydrophobicContact CE3-CG1 4.13Å; W983-I1000 HydrophobicContact CH2-CG1 3.94Å; W983-I1000 HydrophobicContact CH2-CG2 4.24Å; W983-I1000 HydrophobicContact CZ2-CB 4.21Å; W983-I1000 HydrophobicContact CZ2-CG1 3.9Å; W983-I1000 HydrophobicContact CZ2-CG2 4.17Å; W983-I1000 HydrophobicContact CZ3-CD1 4.48Å; W983-I1000 HydrophobicContact CZ3-CG1 4.05Å; V996-I1000 HydrophobicContact CG1-CD1 3.68Å; V996-I1000 WeakPolarHBondContact O-CB 3.23Å; V996-I1000 WeakPolarHBondContact O-CD1 3.36Å; V996-I1000 WeakPolarHBondContact O-CG1 3.39Å; V996-I1000 PolarHBondContact O-N 3.1Å; Q997-I1000 WeakPolarHBondContact O-CB 3.45Å; Q997-I1000 PolarHBondContact O-N 3.14Å; I1000-T1003 PolarHBondContact O-N 3.3Å; I1000-T1003 PolarHBondContact O-OG1 3.15Å
1001D81.4Confident83.1Confident106 Ų10656.8 Ų56.857%0.56728%0.282SS*.Hα-helixtrans-76-29.4-177.4-66.3-24.6000112.7Q997 V999 T1003Q997-D1001 WeakPolarHBondContact CG-OD2 3.48Å; Q997-D1001 PolarHBondContact NE2-OD1 3.06Å; Q997-D1001 PolarHBondContact NE2-OD2 2.94Å; Q997-D1001 WeakPolarHBondContact O-CB 3.38Å; Q997-D1001 PolarHBondContact O-N 2.68Å; V999-D1001 PolarHBondContact O-N 3.27Å; D1001-T1003 PolarHBondContact O-N 3.05Å
1002S79Confident83Confident85 Ų8558.8 Ų58.859%0.59429%0.291SS*.Hα-helixtrans-69.2-12.3174.271.60000114.6K998 V999K998-S1002 WeakPolarHBondContact O-CB 3.44Å; K998-S1002 PolarHBondContact O-N 3.13Å; K998-S1002 PolarHBondContact O-OG 3.15Å; K998-S1002 VanDerWaalsContact O-OG 3.14Å; V999-S1002 PolarHBondContact O-N 3.08Å; V999-S1002 PolarHBondContact O-OG 3.43Å
1003T74.4Confident82.3Confident13 Ų1357 Ų578%0.0828%0.28CS..  trans-97.8108.2-178.452.80000112.7R928 W983 N984 V999 I1000 D1001R928-T1003 WeakPolarHBondContact CD-O 3.47Å; R928-T1003 PolarHBondContact NH1-O 3.29Å; W983-T1003 PolarHBondContact NE1-OG1 2.86Å; N984-T1003 WeakPolarHBondContact ND2-CG2 3.44Å; V999-T1003 PolarHBondContact O-N 3.45Å; I1000-T1003 PolarHBondContact O-N 3.3Å; I1000-T1003 PolarHBondContact O-OG1 3.15Å; D1001-T1003 PolarHBondContact O-N 3.05Å
1004E69.7Low81.1Confident159 Ų15953.6 Ų53.674%0.74328%0.279SS*.  trans-96147.7172.262.2179.2163.200112.3E1006E1004-E1006 PolarHBondContact O-N 3.49Å; E1004-E1006 VanDerWaalsContact O-N 3.11Å
1005G73.1Confident79.5Confident16 Ų1648.4 Ų48.417%0.16526%0.263CS..SBendtrans63.5-111.1179.900000113R928R928-G1005 WeakPolarHBondContact CB-O 3.22Å; R928-G1005 WeakPolarHBondContact CG-O 3.48Å; R928-G1005 PolarHBondContact N-O 2.85Å
1006E73.9Confident77.8Confident79 Ų7949.5 Ų49.537%0.36927%0.272SS..EExtended strand (participates in β ladder)trans-84.1133.9-163.6-48.3-164.8138.500113.4V927 N984 E1004 R1147V927-E1006 HydrophobicContact CG1-CG 4.35Å; V927-E1006 HydrophobicContact CG2-CG 4.18Å; N984-E1006 PolarHBondContact ND2-O 2.99Å; E1004-E1006 PolarHBondContact O-N 3.49Å; E1004-E1006 VanDerWaalsContact O-N 3.11Å; E1006-R1147 IonicContact OE1-CZ 3.54Å; E1006-R1147 IonicContact OE1-NE 2.63Å; E1006-R1147 PolarHBondContact OE1-NE 2.98Å; E1006-R1147 IonicContact OE1-NH2 2.89Å; E1006-R1147 PolarHBondContact OE1-NH2 3.31Å; E1006-R1147 IonicContact OE2-CZ 2.6Å; E1006-R1147 IonicContact OE2-NE 2.76Å; E1006-R1147 PolarHBondContact OE2-NE 3.38Å; E1006-R1147 IonicContact OE2-NH2 2.69Å; E1006-R1147 PolarHBondContact OE2-NH2 3.35Å
1007V80.9Confident76.3Confident0 Ų049.5 Ų49.50%027%0.272CS..EExtended strand (participates in β ladder)trans-133.7119.3-175.5-169.40000111.8L925 L926 R928 W983 N984 I1009L925-V1007 CarbonylContact C-O 3.55Å; L925-V1007 WeakPolarHBondContact CA-O 3.3Å; L926-V1007 PolarHBondContact N-O 2.94Å; L926-V1007 PolarHBondContact O-N 2.93Å; R928-V1007 HydrophobicContact CG-CG2 4.06Å; W983-V1007 HydrophobicContact CD2-CG1 3.84Å; W983-V1007 HydrophobicContact CE3-CG1 4.38Å; W983-V1007 HydrophobicContact CG-CG1 4.3Å; W983-V1007 HydrophobicContact CH2-CG1 4.15Å; W983-V1007 HydrophobicContact CZ2-CG1 3.57Å; W983-V1007 HydrophobicContact CZ2-CG2 4.22Å; N984-V1007 WeakPolarHBondContact OD1-CA 3.17Å; V1007-I1009 HydrophobicContact CG1-CG2 3.6Å
1008E81.3Confident74.6Confident28 Ų2849.9 Ų49.913%0.13128%0.275CS..EExtended strand (participates in β ladder)trans-96.6100.6172.5-166.4167.1-150.300110.2R923 L924 L925 N984 K1145R923-E1008 HydrophobicContact CG-CG 4.02Å; L924-E1008 CarbonylContact O-C 3.58Å; L924-E1008 VanDerWaalsContact O-CA 3.31Å; L924-E1008 WeakPolarHBondContact O-CA 3.16Å; L925-E1008 HydrophobicContact CD1-CB 4Å; N984-E1008 PolarHBondContact N-O 3.12Å; N984-E1008 PolarHBondContact OD1-N 3Å; E1008-K1145 IonicContact OE1-NZ 2.64Å; E1008-K1145 PolarHBondContact OE1-NZ 3.44Å; E1008-K1145 IonicContact OE2-NZ 2.93Å; E1008-K1145 PolarHBondContact OE2-NZ 3.48Å
1009I88.7Confident72.9Confident0 Ų049.1 Ų49.10%027%0.274CS..EExtended strand (participates in β ladder)trans-100.8144.2179.463.4-178.2000111.5R923 L924 L926 M940 E982 W983 V1007 I1011R923-I1009 CarbonylContact C-O 3.51Å; R923-I1009 WeakPolarHBondContact CA-O 3.37Å; L924-I1009 HydrophobicContact CB-CG1 4.03Å; L924-I1009 PolarHBondContact N-O 3.22Å; L924-I1009 PolarHBondContact O-N 3.1Å; L926-I1009 HydrophobicContact CD1-CD1 3.55Å; L926-I1009 HydrophobicContact CD1-CG1 3.7Å; M940-I1009 HydrophobicContact CE-CD1 3.88Å; E982-I1009 WeakPolarHBondContact O-CA 3.45Å; W983-I1009 HydrophobicContact CD2-CG2 3.93Å; W983-I1009 HydrophobicContact CE3-CG2 3.42Å; W983-I1009 VanDerWaalsContact CE3-CG2 3.42Å; W983-I1009 HydrophobicContact CH2-CG2 4.47Å; W983-I1009 HydrophobicContact CZ3-CG2 3.73Å; V1007-I1009 HydrophobicContact CG1-CG2 3.6Å; I1009-I1011 HydrophobicContact CD1-CD1 3.74Å; I1009-I1011 HydrophobicContact CD1-CG1 4.14Å; I1009-I1011 HydrophobicContact CG1-CD1 4.17Å; I1009-I1011 HydrophobicContact CG1-CG1 4.22Å
1010L87.1Confident71.1Confident5 Ų551 Ų513%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-107.7122.7169.1-176.174.8000109.7W916 K922 R923 I980 L981 E982W916-L1010 HydrophobicContact CH2-CD1 3.51Å; W916-L1010 HydrophobicContact CH2-CD2 3.6Å; W916-L1010 HydrophobicContact CH2-CG 4.21Å; W916-L1010 HydrophobicContact CZ3-CD1 3.55Å; W916-L1010 HydrophobicContact CZ3-CD2 3.71Å; W916-L1010 HydrophobicContact CZ3-CG 4.18Å; K922-L1010 WeakPolarHBondContact O-CA 3.5Å; K922-L1010 WeakPolarHBondContact O-CD1 3.25Å; R923-L1010 HydrophobicContact CB-CD1 3.99Å; I980-L1010 CarbonylContact C-O 3.55Å; I980-L1010 WeakPolarHBondContact CA-O 3.28Å; L981-L1010 HydrophobicContact CB-CD2 3.9Å; L981-L1010 HydrophobicContact CB-CG 4.32Å; L981-L1010 HydrophobicContact CD1-CD2 4.21Å; L981-L1010 PolarHBondContact N-O 2.86Å; E982-L1010 HydrophobicContact CB-CB 3.68Å; E982-L1010 HydrophobicContact CB-CD2 4.37Å; E982-L1010 HydrophobicContact CG-CB 4.08Å; E982-L1010 HydrophobicContact CG-CD2 3.83Å; E982-L1010 PolarHBondContact O-N 3.01Å; E982-L1010 WeakPolarHBondContact OE1-CD2 3.37Å
1011I88Confident69.2Low0 Ų054 Ų540%030%0.296CS..EExtended strand (participates in β ladder)trans-114.8141.5-176-64.7174.6000110.1L921 K922 L924 V974 D978 Q979 I1009L921-I1011 CarbonylContact C-O 3.51Å; L921-I1011 VanDerWaalsContact CA-O 3.27Å; L921-I1011 WeakPolarHBondContact CA-O 3.32Å; K922-I1011 HydrophobicContact CB-CB 4.49Å; K922-I1011 PolarHBondContact N-O 3.04Å; K922-I1011 PolarHBondContact O-N 3.11Å; L924-I1011 HydrophobicContact CD1-CD1 3.81Å; L924-I1011 HydrophobicContact CG-CD1 4.4Å; V974-I1011 HydrophobicContact CB-CD1 4.22Å; V974-I1011 HydrophobicContact CG1-CD1 3.83Å; V974-I1011 HydrophobicContact CG2-CD1 3.47Å; V974-I1011 VanDerWaalsContact CG2-CD1 3.47Å; D978-I1011 HydrophobicContact CB-CG2 3.69Å; Q979-I1011 CarbonylContact O-C 3.52Å; Q979-I1011 WeakPolarHBondContact O-CA 3.47Å; I1009-I1011 HydrophobicContact CD1-CD1 3.74Å; I1009-I1011 HydrophobicContact CD1-CG1 4.14Å; I1009-I1011 HydrophobicContact CG1-CD1 4.17Å; I1009-I1011 HydrophobicContact CG1-CG1 4.22Å
1012K83.5Confident67.3Low87 Ų8756.5 Ų56.538%0.37830%0.304SS..EExtended strand (participates in β ladder)trans-111.2102.7166.1178.2-178.4158-154.10108.4L921 Q979 L981L921-K1012 HydrophobicContact CD2-CB 3.6Å; L921-K1012 HydrophobicContact CD2-CG 4.05Å; Q979-K1012 HydrophobicContact CB-CB 4.28Å; Q979-K1012 PolarHBondContact N-O 2.87Å; Q979-K1012 VanDerWaalsContact N-O 3.15Å; Q979-K1012 PolarHBondContact O-N 2.84Å; L981-K1012 HydrophobicContact CD1-CB 4.06Å; L981-K1012 HydrophobicContact CD1-CD 4.47Å; L981-K1012 HydrophobicContact CG-CB 4.21Å
1013S72.9Confident65.3Low22 Ų2259.6 Ų59.615%0.15431%0.314CS..  trans-73.7152.8178-67.60000112.6R920 D978R920-S1013 WeakPolarHBondContact CB-O 3.28Å; R920-S1013 WeakPolarHBondContact CD-O 3.09Å; R920-S1013 PolarHBondContact O-N 2.92Å; D978-S1013 WeakPolarHBondContact OD1-CA 3.35Å; D978-S1013 WeakPolarHBondContact OD1-CB 3.5Å; D978-S1013 PolarHBondContact OD1-OG 2.88Å
1014G58.9Low63.5Low39 Ų3967.2 Ų67.240%0.40235%0.348SS..  trans7650.4165.700000115R920R920-G1014 PolarHBondContact NH1-O 2.76Å
1015A55Low61.6Low46 Ų4667.8 Ų67.838%0.3836%0.356SS..  trans-115.2135130.500000106.6L1017A1015-L1017 PolarHBondContact O-N 3.08Å
1016N51.5Low59.5Low112 Ų11269.7 Ų69.760%0.59938%0.376SS*.  trans-78.269.2178-70.1-30.7000109.9N1018 Q1019N1016-N1018 PolarHBondContact O-N 3.15Å; N1016-N1018 VanDerWaalsContact O-N 3.1Å; N1016-Q1019 HydrophobicContact CB-CB 4.45Å; N1016-Q1019 HydrophobicContact CB-CG 4.03Å; N1016-Q1019 WeakPolarHBondContact O-CB 3.43Å; N1016-Q1019 PolarHBondContact O-N 3.31Å
1017L58.9Low57.3Low2 Ų274.8 Ų74.81%0.0140%0.4CS..Hα-helixtrans-54.6-29.4179.1-106.6134.3000112.3L948 Y958 G977 Q979 A1015 Q1019 V1020 Y1021L948-L1017 HydrophobicContact CD2-CD1 4.26Å; L948-L1017 HydrophobicContact CD2-CD2 3.51Å; L948-L1017 HydrophobicContact CD2-CG 3.76Å; Y958-L1017 HydrophobicContact CD1-CD2 3.99Å; Y958-L1017 HydrophobicContact CD2-CB 4.4Å; Y958-L1017 HydrophobicContact CD2-CD2 4.17Å; Y958-L1017 HydrophobicContact CE1-CD2 4.47Å; Y958-L1017 HydrophobicContact CG-CD1 4.4Å; Y958-L1017 HydrophobicContact CG-CD2 3.86Å; G977-L1017 WeakPolarHBondContact O-CB 3.37Å; G977-L1017 WeakPolarHBondContact O-CD1 3.21Å; Q979-L1017 HydrophobicContact CB-CD1 4.32Å; A1015-L1017 PolarHBondContact O-N 3.08Å; L1017-Q1019 PolarHBondContact O-N 2.77Å; L1017-V1020 WeakPolarHBondContact O-CB 3.38Å; L1017-V1020 PolarHBondContact O-N 2.78Å; L1017-Y1021 HydrophobicContact CD2-CE2 3.64Å; L1017-Y1021 WeakPolarHBondContact O-CD2 3.35Å
1018N52.2Low55Low60 Ų6080.7 Ų80.732%0.32144%0.441SS..Hα-helixtrans-56.2-30.6171.7-74.425.8000113.6E976 G977 N1016 V1020 Y1021 H1022E976-N1018 VanDerWaalsContact CB-ND2 3.28Å; E976-N1018 WeakPolarHBondContact CB-ND2 3.47Å; E976-N1018 PolarHBondContact OE2-ND2 2.95Å; G977-N1018 WeakPolarHBondContact CA-OD1 3.48Å; G977-N1018 PolarHBondContact N-OD1 3.27Å; G977-N1018 VanDerWaalsContact N-OD1 3.11Å; N1016-N1018 PolarHBondContact O-N 3.15Å; N1016-N1018 VanDerWaalsContact O-N 3.1Å; N1018-V1020 VanDerWaalsContact C-N 3.3Å; N1018-V1020 PolarHBondContact O-N 3.43Å; N1018-Y1021 PolarHBondContact O-N 3.39Å; N1018-Y1021 VanDerWaalsContact O-N 3.15Å; N1018-H1022 PolarHBondContact O-N 2.96Å
1019Q49.2Very low52.5Low144 Ų14484.7 Ų84.767%0.67347%0.468SS*.Hα-helixtrans-71-25.2176.5-70.2-179.8-4000112.6N1016 L1017 Y1021N1016-Q1019 HydrophobicContact CB-CB 4.45Å; N1016-Q1019 HydrophobicContact CB-CG 4.03Å; N1016-Q1019 WeakPolarHBondContact O-CB 3.43Å; N1016-Q1019 PolarHBondContact O-N 3.31Å; L1017-Q1019 PolarHBondContact O-N 2.77Å; Q1019-Y1021 VanDerWaalsContact C-N 3.28Å
1020V48.5Very low49.8Very low55 Ų5589.9 Ų89.933%0.33350%0.504SS..Hα-helixtrans-72.3-23.7171.3176.40000111.4P949 L1017 N1018P949-V1020 HydrophobicContact CG-CB 4.45Å; P949-V1020 HydrophobicContact CG-CG1 3.72Å; P949-V1020 HydrophobicContact CG-CG2 3.82Å; L1017-V1020 WeakPolarHBondContact O-CB 3.38Å; L1017-V1020 PolarHBondContact O-N 2.78Å; N1018-V1020 VanDerWaalsContact C-N 3.3Å; N1018-V1020 PolarHBondContact O-N 3.43Å
1021Y46.2Very low47.3Very low76 Ų7697 Ų9730%0.29854%0.541SS..THydrogen-bonded Turntrans-101.411.2-176.2-63.1-58.6000115.3K946 Y958 L1017 N1018 Q1019K946-Y1021 HydrophobicContact CD-CE1 3.74Å; K946-Y1021 VanDerWaalsContact CD-OH 3.23Å; K946-Y1021 WeakPolarHBondContact CD-OH 3.46Å; Y958-Y1021 HydrophobicContact CD1-CE2 4.44Å; Y958-Y1021 HydrophobicContact CD2-CE2 4.12Å; Y958-Y1021 AromaticContact CE1-CE2 3.75Å; Y958-Y1021 HydrophobicContact CE1-CE2 3.75Å; Y958-Y1021 AromaticContact CE1-CZ 3.79Å; Y958-Y1021 WeakPolarHBondContact CE1-OH 3.46Å; Y958-Y1021 AromaticContact CE2-CD2 3.8Å; Y958-Y1021 HydrophobicContact CE2-CD2 3.8Å; Y958-Y1021 AromaticContact CE2-CE2 3.35Å; Y958-Y1021 HydrophobicContact CE2-CE2 3.35Å; Y958-Y1021 AromaticContact CZ-CD2 3.9Å; Y958-Y1021 AromaticContact CZ-CE2 3.14Å; Y958-Y1021 AromaticContact CZ-CZ 3.48Å; Y958-Y1021 VanDerWaalsContact CZ-CZ 3.48Å; Y958-Y1021 WeakPolarHBondContact OH-CE2 3.35Å; Y958-Y1021 VanDerWaalsContact OH-CZ 3.22Å; L1017-Y1021 HydrophobicContact CD2-CE2 3.64Å; L1017-Y1021 WeakPolarHBondContact O-CD2 3.35Å; N1018-Y1021 PolarHBondContact O-N 3.39Å; N1018-Y1021 VanDerWaalsContact O-N 3.15Å; Q1019-Y1021 VanDerWaalsContact C-N 3.28Å
1022H40.2Very low44.7Very low158 Ų158103.1 Ų103.173%0.73157%0.574SS**SBendtrans-117.914.5177.2-146-51.1000114.3N1018N1018-H1022 PolarHBondContact O-N 2.96Å
1023L37.2Very low42.4Very low151 Ų151107.9 Ų107.979%0.79159%0.594SS**SBendtrans-113.5-2.5179.5-16257.3000114.2
1024E37.2Very low40.1Very low173 Ų173110.4 Ų110.481%0.80862%0.624SS**  trans-114.185.3178.2-65.4-81.3141.400109.1G1026E1024-G1026 VanDerWaalsContact C-N 3.31Å; E1024-G1026 PolarHBondContact O-N 3.16Å
1025D29.8Very low38.6Very low170 Ų170118.2 Ų118.291%0.90964%0.643SS**  trans-67.583.6178.3-92.6-48.7000111.4
1026G28.3Very low37.2Very low56 Ų56124.6 Ų124.658%0.57767%0.665SS**  trans-14061.8-167.200000114.6E1024 S1028E1024-G1026 VanDerWaalsContact C-N 3.31Å; E1024-G1026 PolarHBondContact O-N 3.16Å; G1026-S1028 VanDerWaalsContact C-N 3.34Å; G1026-S1028 PolarHBondContact O-N 3.25Å
1027Q27.7Very low36Very low187 Ų187124 Ų12487%0.87467%0.67SS**  trans47.742.3162.9-62.3-173.2-9.600116.8T1029Q1027-T1029 PolarHBondContact O-N 3.22Å
1028S32.7Very low34.2Very low124 Ų124130.8 Ų130.887%0.86771%0.705SS**  trans-7086.3155.7-720000108.5G1026G1026-S1028 VanDerWaalsContact C-N 3.34Å; G1026-S1028 PolarHBondContact O-N 3.25Å
1029T29.6Very low32.9Very low112 Ų112138.4 Ų138.469%0.68773%0.731SS**  trans-54.6138-177.547.80000110.8Q1027 L1031Q1027-T1029 PolarHBondContact O-N 3.22Å; T1029-L1031 PolarHBondContact O-N 3.41Å
1030S31Very low31.6Very low109 Ų109138.7 Ų138.776%0.76274%0.742SS**  trans-70.717.2-175.251.40000114.7D1032 K1033S1030-D1032 PolarHBondContact O-N 3.49Å; S1030-K1033 PolarHBondContact O-N 3.07Å
1031L34.8Very low30.6Very low153 Ų153139.5 Ų139.580%0.80176%0.762SS**THydrogen-bonded Turntrans-85.848.2-165.2-147.9161.3000111.9T1029T1029-L1031 PolarHBondContact O-N 3.41Å
1032D33.8Very low29.4Very low129 Ų129141.6 Ų141.669%0.6979%0.788SS**THydrogen-bonded Turntrans-158.813.5158.5-139.25.3000114.3S1030 G1034S1030-D1032 PolarHBondContact O-N 3.49Å; D1032-G1034 PolarHBondContact O-N 3.07Å
1033K35.7Very low28.5Very low187 Ų187141.6 Ų141.681%0.81379%0.792SS**  trans-81.548166.1-69.3-166.7-178.4-174.10110.7S1030 Y1035S1030-K1033 PolarHBondContact O-N 3.07Å; K1033-Y1035 VanDerWaalsContact C-N 3.27Å; K1033-Y1035 PolarHBondContact O-N 3.24Å
1034G24.6Very low28.1Very low75 Ų75140.9 Ų140.977%0.77379%0.793SS**  trans-76.163.5-172.400000114.3D1032D1032-G1034 PolarHBondContact O-N 3.07Å
1035Y27.1Very low27.5Very low204 Ų204141.4 Ų141.480%0.879%0.793SS**  trans-130.858.3158.177-82.2000110.4K1033 S1037K1033-Y1035 VanDerWaalsContact C-N 3.27Å; K1033-Y1035 PolarHBondContact O-N 3.24Å; Y1035-S1037 PolarHBondContact O-N 2.74Å; Y1035-S1037 VanDerWaalsContact O-N 3.07Å
1036E24.3Very low27Very low180 Ų180144.9 Ų144.984%0.84179%0.793SS**  trans-65.7106166.4-169.9158.4-142.300108.3
1037S26.6Very low26.8Very low100 Ų100146.4 Ų146.470%0.69980%0.8SS**  trans-107.6103.7173.71730000107.1Y1035 Y1039Y1035-S1037 PolarHBondContact O-N 2.74Å; Y1035-S1037 VanDerWaalsContact O-N 3.07Å; S1037-Y1039 PolarHBondContact O-N 3.21Å
1038D22.4Very low26.8Very low143 Ų143145.1 Ų145.177%0.76580%0.799SS**  trans-56.4100.2-175.6-65.2-58.6000112.4
1039Y24.2Very low26.2Very low221 Ų221145.4 Ų145.487%0.86780%0.796SS**  trans-140120.2163.7-121.8-90.4000110.3S1037 G1041S1037-Y1039 PolarHBondContact O-N 3.21Å; Y1039-G1041 PolarHBondContact O-N 2.69Å
1040V22.1Very low26.1Very low149 Ų149150.1 Ų150.190%0.90381%0.807SS**  trans-75.697-166.7-178.60000111.1
1041G26.9Very low25.5Very low73 Ų73152.1 Ų152.175%0.75381%0.808SS**PPolyproline II helixtrans-87.9119.217300000112.3Y1039Y1039-G1041 PolarHBondContact O-N 2.69Å
1042S22Very low25Very low119 Ų119150.9 Ų150.983%0.83281%0.807SS**PPolyproline II helixtrans-81.3159.5-175.1-164.10000114.3
1043I21.3Very low24.4Very low158 Ų158149 Ų14981%0.8180%0.803SS**PPolyproline II helixtrans-83.2121-169.3-63.1162.3000111.8
1044V28.4Very low23.9Very low137 Ų137148.2 Ų148.283%0.8380%0.802SS**  trans-129.4149.6164.6-174.70000110.4
1045K24.7Very low23.7Very low184 Ų184152 Ų15280%0.881%0.805SS**  trans-82.3138.6-171.3-64.6146.3-173169.80110.1
1046R19.5Very low23.5Very low243 Ų243145.3 Ų145.392%0.91780%0.798SS**  70.1143.170.6-120.3-172.1-162.9-1745.7113
1047A24.1Very low23.4Very low87 Ų87143.2 Ų143.272%0.71980%0.798SS**  trans75.2141.1-174.300000114.9
1048D25.9Very low23.2Very low160 Ų160147.3 Ų147.386%0.85681%0.808SS**  cis-146.8161.4-3.7-114.5-25.5000115.3
1049V21.6Very low23.4Very low130 Ų130149.1 Ų149.179%0.78881%0.812SS**  trans-88.1139.2-174.3172.50000112.4
1050K26.2Very low23.4Very low212 Ų212148 Ų14892%0.92281%0.811SS**  trans-152.9153.3141.3-127.2169.8-175.3175.50114.5
1051L19.3Very low23.5Very low151 Ų151152.1 Ų152.179%0.79181%0.811SS**  trans-141.7110.2-163.2173.578.5000110.5
1052V24.5Very low23.4Very low127 Ų127153.1 Ų153.177%0.7781%0.806SS**  trans-152.1125.2165-176.50000105.9
1053S21.6Very low23.5Very low89 Ų89154 Ų15462%0.62280%0.802SS**  cis89.473.417-153.50000116.8
1054Q24.3Very low23.9Very low170 Ų170154.7 Ų154.779%0.79481%0.805SS**  trans-163.9130.5148.7-101.9147.380.200106.5
1055N20.8Very low23.7Very low156 Ų156155.6 Ų155.683%0.83481%0.805SS**  cis79.9115.444.9-64.6-10.3000113.1
1056G23.4Very low23.7Very low62 Ų62149.9 Ų149.964%0.63980%0.799SS**  trans145.288.9178.500000111.5
1057T22.3Very low23.8Very low137 Ų137142 Ų14284%0.8479%0.792SS**  53.392.198.960.20000113.2
1058M21.7Very low23.8Very low185 Ų185147.3 Ų147.391%0.91180%0.799SS**  62.786.870.8-170.3-172.6128.200113
1059E27.1Very low23.6Very low181 Ų181144.2 Ų144.285%0.84680%0.796SS**  trans-132.5147163.9-95.7-89.3107.900109.5
1060K22.9Very low23.7Very low197 Ų197143.7 Ų143.786%0.85780%0.798SS**  trans-113.9118.2-162.2160.5-159169.3-1680109.6
1061R25Very low23.6Very low236 Ų236139 Ų13989%0.89179%0.789SS**  trans-133.2151.6161.4-67.6-165.6-179.7-155.4-1.2111.3
1062S24Very low23.7Very low94 Ų94136.6 Ų136.666%0.65778%0.784SS**  trans-107.6-178.3-167.448.70000111.8
1063D24Very low23.6Very low139 Ų139137.9 Ų137.974%0.74378%0.78SS**  trans63.296.8156-43.4-46.4000117.5
1064I29.9Very low23.8Very low171 Ų171138.1 Ų138.188%0.87778%0.782SS**  -159.5145.6127.6-103.1152.8000109.3G1066I1064-G1066 PolarHBondContact O-N 2.84Å
1065D24.9Very low23.8Very low157 Ų157134 Ų13484%0.8477%0.768SS**  trans-65.4128.2-176.9-166.2-3.1000111.4
1066G23.9Very low24.1Very low64 Ų64132.3 Ų132.366%0.6676%0.763SS**  trans-14545.8-161.900000112.7I1064 K1068I1064-G1066 PolarHBondContact O-N 2.84Å; G1066-K1068 VanDerWaalsContact C-N 3.34Å; G1066-K1068 PolarHBondContact O-N 3.32Å
1067G22.8Very low24.2Very low76 Ų76135 Ų13578%0.78477%0.769SS**  trans-55.376.2-170.700000117.3
1068K24.3Very low24.3Very low199 Ų199138 Ų13887%0.86577%0.765SS**  trans-98.282.2162.5-90.5176.2176.2166.90110.3G1066 S1070G1066-K1068 VanDerWaalsContact C-N 3.34Å; G1066-K1068 PolarHBondContact O-N 3.32Å; K1068-S1070 PolarHBondContact O-N 3.26Å; K1068-S1070 VanDerWaalsContact O-N 3.14Å
1069A20.8Very low24.5Very low95 Ų95136.3 Ų136.379%0.78577%0.766SS**  trans-62111.4171.600000110.8P1071A1069-P1071 WeakPolarHBondContact O-CD 3.34Å
1070S24.8Very low24.5Very low120 Ų120136.1 Ų136.184%0.83977%0.765SS**  trans-94.3101.6162.2-69.10000107.8K1068K1068-S1070 PolarHBondContact O-N 3.26Å; K1068-S1070 VanDerWaalsContact O-N 3.14Å
1071P23.7Very low24.6Very low112 Ų112131.6 Ų131.673%0.72776%0.758SS**  trans-88.4139.1-163.733.3-34.7000113.8A1069A1069-P1071 WeakPolarHBondContact O-CD 3.34Å
1072C20.6Very low24.9Very low101 Ų101126.1 Ų126.168%0.68275%0.753SS**  trans39.996.5147.5-1440000117.5
1073F23.3Very low25.1Very low154 Ų154130.4 Ų130.468%0.67576%0.763SS**  46.190.383.7-71.5-80.7000115T1075F1073-T1075 PolarHBondContact O-N 3.27Å
1074S24.8Very low25.3Very low95 Ų95127 Ų12766%0.66476%0.76SS**  trans-73.163.9157.7-164.80000111.5
1075T24.5Very low25.4Very low84 Ų84126.2 Ų126.252%0.51575%0.753SS.*  trans-86.9107.8161.1-62.30000107.2F1073 P1077F1073-T1075 PolarHBondContact O-N 3.27Å; T1075-P1077 VanDerWaalsContact O-CD 3.27Å; T1075-P1077 WeakPolarHBondContact O-CD 3.46Å; T1075-P1077 VanDerWaalsContact O-N 3.14Å
1076T27.9Very low25.7Very low119 Ų119127.8 Ų127.873%0.7376%0.755SS**PPolyproline II helixtrans-55119.1162.445.40000107.8R1078T1076-R1078 PolarHBondContact O-N 3.44Å
1077P25.5Very low26.3Very low118 Ų118130.8 Ų130.877%0.76675%0.752SS**PPolyproline II helixtrans-55.4135.2-175.8-2836000111.1T1075T1075-P1077 VanDerWaalsContact O-CD 3.27Å; T1075-P1077 WeakPolarHBondContact O-CD 3.46Å; T1075-P1077 VanDerWaalsContact O-N 3.14Å
1078R24.8Very low26.9Very low201 Ų201133 Ų13376%0.75875%0.751SS**PPolyproline II helixtrans-56.9152.6168.4-97.1-179.4-75.3-107.8-3.1109.3T1076 Q1080T1076-R1078 PolarHBondContact O-N 3.44Å; R1078-Q1080 PolarHBondContact O-N 3.09Å
1079T26.3Very low27.6Very low149 Ų149130.1 Ų130.191%0.91474%0.742SS**  trans-63.478.4174.648.50000112
1080Q26.8Very low28.7Very low177 Ų177134.7 Ų134.783%0.82775%0.747SS**  trans-91115.1141.2-70.4-178-8.200105.8R1078 P1082R1078-Q1080 PolarHBondContact O-N 3.09Å; Q1080-P1082 WeakPolarHBondContact O-CD 3.25Å
1081S23.5Very low30.2Very low103 Ų103134.2 Ų134.272%0.7274%0.743SS**  trans-71.8109.2171.8470000108.8Q1083S1081-Q1083 VanDerWaalsContact C-N 3.35Å; S1081-Q1083 PolarHBondContact O-N 2.8Å
1082P32.6Very low32.3Very low120 Ų120132.1 Ų132.178%0.77973%0.731SS**  trans-80.390.3178.3-0.521.2000107.2Q1080 G1084Q1080-P1082 WeakPolarHBondContact O-CD 3.25Å; P1082-G1084 PolarHBondContact O-N 3.46Å
1083Q27.6Very low35.2Very low185 Ų185129.2 Ų129.286%0.86472%0.719SS**  trans-59.4132.8162.4-70.7178.5-31.200107.8S1081S1081-Q1083 VanDerWaalsContact C-N 3.35Å; S1081-Q1083 PolarHBondContact O-N 2.8Å
1084G27.3Very low38.4Very low67 Ų67124.6 Ų124.669%0.69171%0.706SS**SBendtrans77.960.2173.200000115.9P1082P1082-G1084 PolarHBondContact O-N 3.46Å
1085Q32.8Very low41.6Very low155 Ų155121.3 Ų121.372%0.72468%0.681SS**  trans-158.978.2140.2-110.5158.596.600112Q1087Q1085-Q1087 HydrophobicContact CG-CG 4.2Å; Q1085-Q1087 PolarHBondContact O-N 3.5Å
1086Q32.1Very low44.9Very low190 Ų190120.2 Ų120.289%0.88867%0.67SS**  trans-72.464.8157.6-72.2-175.7-6.900109.5T1088Q1086-T1088 VanDerWaalsContact C-N 3.33Å; Q1086-T1088 PolarHBondContact O-N 3.18Å
1087Q36.2Very low48.1Very low127 Ų127114.7 Ų114.759%0.59364%0.636SS**  trans-72.199.2160.4-70.2-169.89.800106.9Q1085 M1089Q1085-Q1087 HydrophobicContact CG-CG 4.2Å; Q1085-Q1087 PolarHBondContact O-N 3.5Å; Q1087-M1089 HydrophobicContact CB-CG 4.28Å; Q1087-M1089 PolarHBondContact O-N 2.73Å
1088T35.4Very low51.3Low123 Ų123114.3 Ų114.376%0.75562%0.619SS**  trans-71.855.4170.654.30000110.3Q1086 Q1090Q1086-T1088 VanDerWaalsContact C-N 3.33Å; Q1086-T1088 PolarHBondContact O-N 3.18Å; T1088-Q1090 PolarHBondContact O-N 3.28Å
1089M38.6Very low54.5Low137 Ų137105.1 Ų105.168%0.67559%0.585SS**  trans-59.8109.5165.6-75.8-66.9106.300107Q1087 S1091Q1087-M1089 HydrophobicContact CB-CG 4.28Å; Q1087-M1089 PolarHBondContact O-N 2.73Å; M1089-S1091 PolarHBondContact O-N 2.79Å; M1089-S1091 PolarHBondContact O-OG 2.76Å
1090Q44.9Very low57.5Low192 Ų192104 Ų10490%0.89757%0.565SS**  trans-5896.5-173.2-68.4171.1-14.400109.5T1088 S1092T1088-Q1090 PolarHBondContact O-N 3.28Å; Q1090-S1092 PolarHBondContact O-N 3.3Å
1091S55.8Low60.5Low109 Ų10996.6 Ų96.676%0.76253%0.53SS*.  trans-78.183.8176.1-63.50000107M1089 G1093M1089-S1091 PolarHBondContact O-N 2.79Å; M1089-S1091 PolarHBondContact O-OG 2.76Å; S1091-G1093 PolarHBondContact O-N 3.42Å
1092S66.6Low63.6Low68 Ų6894 Ų9448%0.47651%0.507SS..  trans-56.2111.917359.70000108.4Q1090 E1117Q1090-S1092 PolarHBondContact O-N 3.3Å; S1092-E1117 CarbonylContact C-O 3.54Å
1093G82Confident66.2Low41 Ų4192.7 Ų92.742%0.42350%0.501SS..  trans145.9135.1175.200000113.8S1091 K1116S1091-G1093 PolarHBondContact O-N 3.42Å; G1093-K1116 WeakPolarHBondContact CA-O 3.1Å
1094S90Very high69.1Low57 Ų5786.8 Ų86.840%0.39948%0.48SS..EExtended strand (participates in β ladder)trans-118.2159.8174.358.70000111.2A1115 K1116S1094-A1115 WeakPolarHBondContact O-CA 3.35Å; S1094-A1115 WeakPolarHBondContact O-CB 3.45Å; S1094-K1116 PolarHBondContact N-O 3.45Å; S1094-K1116 PolarHBondContact O-N 3.45Å; S1094-K1116 VanDerWaalsContact O-N 3.09Å
1095L93.4Very high72.1Confident26 Ų2687.4 Ų87.414%0.13647%0.47CS..EExtended strand (participates in β ladder)trans-139.893.8-174.817766.8000110A1097 A1115 V1132 W1159 F1180 V1182 S1211L1095-A1097 PolarHBondContact O-N 3.33Å; L1095-A1115 HydrophobicContact CD1-CB 3.98Å; L1095-V1132 HydrophobicContact CD1-CG2 4.01Å; L1095-V1132 HydrophobicContact CD2-CG1 4.41Å; L1095-W1159 HydrophobicContact CD1-CH2 4.47Å; L1095-W1159 HydrophobicContact CD1-CZ3 3.82Å; L1095-F1180 HydrophobicContact CD2-CB 3.68Å; L1095-F1180 HydrophobicContact CD2-CD1 4.31Å; L1095-F1180 HydrophobicContact CD2-CG 4.18Å; L1095-V1182 HydrophobicContact CD1-CG2 4.33Å; L1095-V1182 HydrophobicContact CD2-CG2 3.91Å; L1095-S1211 VanDerWaalsContact C-OXT 3.28Å; L1095-S1211 PolarHBondContact N-OXT 3.27Å
1096Q93.7Very high74.8Confident61 Ų6180.7 Ų80.729%0.28544%0.443SS..EExtended strand (participates in β ladder)trans-76.3120.8-176.8-173.3178.2-0.500111.1V1113 G1114 E1209Q1096-V1113 HydrophobicContact CB-CB 4.18Å; Q1096-V1113 HydrophobicContact CG-CB 4.01Å; Q1096-V1113 HydrophobicContact CG-CG1 4.39Å; Q1096-V1113 HydrophobicContact CG-CG2 4.14Å; Q1096-V1113 WeakPolarHBondContact O-CB 3.32Å; Q1096-V1113 PolarHBondContact O-N 3.17Å; Q1096-G1114 PolarHBondContact N-O 3.19Å; Q1096-G1114 PolarHBondContact O-N 3.3Å; Q1096-E1209 PolarHBondContact NE2-OE1 3.39Å
1097A93.4Very high77.7Confident3 Ų372.1 Ų72.13%0.02540%0.403CS..EExtended strand (participates in β ladder)trans-134.9137.1176.900000111.7L1095 T1111 F1180 V1210L1095-A1097 PolarHBondContact O-N 3.33Å; A1097-T1111 CarbonylContact C-O 3.49Å; A1097-T1111 VanDerWaalsContact CA-O 3.29Å; A1097-T1111 WeakPolarHBondContact CA-O 3.34Å; A1097-F1180 HydrophobicContact CB-CE1 3.88Å; A1097-F1180 HydrophobicContact CB-CZ 3.9Å; A1097-V1210 PolarHBondContact N-O 3.5Å; A1097-V1210 CarbonylContact O-C 3.47Å; A1097-V1210 WeakPolarHBondContact O-CA 3.4Å; A1097-V1210 PolarHBondContact O-N 3.47Å
1098R93.4Very high80.3Confident110 Ų11066.1 Ų66.142%0.41538%0.375SS..EExtended strand (participates in β ladder)trans-106.1129172.5-77178.6-82.1141.5-2.1109.7T1111 E1209R1098-T1111 PolarHBondContact N-O 3.25Å; R1098-T1111 PolarHBondContact O-N 3.03Å; R1098-E1209 VanDerWaalsContact CD-OE1 3.27Å; R1098-E1209 WeakPolarHBondContact CD-OE1 3.4Å; R1098-E1209 HydrophobicContact CG-CB 3.88Å; R1098-E1209 VanDerWaalsContact CG-CD 3.47Å; R1098-E1209 HydrophobicContact CG-CG 3.55Å; R1098-E1209 VanDerWaalsContact CG-OE1 3.28Å; R1098-E1209 WeakPolarHBondContact CG-OE1 3.48Å; R1098-E1209 IonicContact NE-OE1 3.41Å; R1098-E1209 PolarHBondContact NE-OE1 3.36Å
1099V91.6Very high83.1Confident7 Ų763.7 Ų63.74%0.04235%0.354CS..EExtended strand (participates in β ladder)trans-114.9127.3-178.3-177.20000108.8L1108 L1178 L1201V1099-L1108 HydrophobicContact CG1-CD1 3.74Å; V1099-L1108 HydrophobicContact CG1-CG 4.47Å; V1099-L1178 HydrophobicContact CG1-CD1 4.23Å; V1099-L1178 HydrophobicContact CG2-CD1 3.8Å; V1099-L1201 HydrophobicContact CG1-CD2 4.25Å
1100Y89Confident85.8Confident127 Ų12757.2 Ų57.250%0.49832%0.322SS..EExtended strand (participates in β ladder)trans-135.5138179.5175.3-104.7000109.6E1102 F1109Y1100-E1102 HydrophobicContact CE1-CB 3.99Å; Y1100-E1102 PolarHBondContact OH-OE2 3.34Å; Y1100-F1109 AromaticContact CD1-CD2 3.97Å; Y1100-F1109 HydrophobicContact CD1-CD2 3.97Å; Y1100-F1109 PolarHBondContact N-O 3.16Å; Y1100-F1109 PolarHBondContact O-N 3.2Å
1101F90.5Very high88.2Confident20 Ų2049.3 Ų49.39%0.08829%0.287CS..EExtended strand (participates in β ladder)trans-119.5125.5176.1176-121.1000110.7T1107 L1108 L1168 I1170 L1173 F1207F1101-T1107 WeakPolarHBondContact CD2-O 3.36Å; F1101-L1108 HydrophobicContact CB-CD1 3.98Å; F1101-L1108 HydrophobicContact CD2-CB 4.31Å; F1101-L1108 HydrophobicContact CD2-CD1 4.5Å; F1101-L1168 HydrophobicContact CE2-CB 4.16Å; F1101-L1168 WeakPolarHBondContact CE2-O 3.35Å; F1101-L1168 WeakPolarHBondContact CZ-O 3.35Å; F1101-I1170 HydrophobicContact CD1-CD1 4.08Å; F1101-I1170 HydrophobicContact CE1-CB 4.12Å; F1101-I1170 HydrophobicContact CE1-CD1 4.12Å; F1101-L1173 HydrophobicContact CB-CD1 4.05Å; F1101-L1173 HydrophobicContact CD1-CD1 3.57Å; F1101-L1173 HydrophobicContact CD2-CD1 3.46Å; F1101-L1173 VanDerWaalsContact CD2-CD1 3.46Å; F1101-L1173 HydrophobicContact CE1-CD1 3.77Å; F1101-L1173 HydrophobicContact CE2-CD1 3.66Å; F1101-L1173 HydrophobicContact CG-CD1 3.4Å; F1101-L1173 HydrophobicContact CZ-CD1 3.81Å; F1101-F1207 HydrophobicContact CB-CD1 4.19Å; F1101-F1207 HydrophobicContact CB-CE1 3.51Å; F1101-F1207 HydrophobicContact CB-CZ 4.22Å; F1101-F1207 HydrophobicContact CG-CE1 4.49Å
1102E89.6Confident90.1Very high49 Ų4944.1 Ų44.123%0.22925%0.251CS..EExtended strand (participates in β ladder)trans-97.599.6174.4-176.148.8-107.300109.4Y1100 S1104 T1105 G1106 T1107 F1109Y1100-E1102 HydrophobicContact CE1-CB 3.99Å; Y1100-E1102 PolarHBondContact OH-OE2 3.34Å; E1102-S1104 VanDerWaalsContact C-N 3.28Å; E1102-S1104 VanDerWaalsContact CD-OG 3.23Å; E1102-S1104 WeakPolarHBondContact CG-OG 3.28Å; E1102-S1104 PolarHBondContact O-N 2.67Å; E1102-S1104 WeakPolarHBondContact OE1-CB 3.3Å; E1102-S1104 PolarHBondContact OE1-N 2.99Å; E1102-S1104 PolarHBondContact OE1-OG 3.48Å; E1102-T1105 WeakPolarHBondContact CB-OG1 3.5Å; E1102-T1105 HydrophobicContact CG-CG2 4.05Å; E1102-T1105 VanDerWaalsContact CG-OG1 3.25Å; E1102-T1105 WeakPolarHBondContact CG-OG1 3.25Å; E1102-T1105 PolarHBondContact O-N 3.4Å; E1102-T1105 PolarHBondContact O-OG1 3.42Å; E1102-G1106 PolarHBondContact O-N 3.34Å; E1102-T1107 PolarHBondContact N-O 3.49Å; E1102-T1107 PolarHBondContact O-N 2.9Å; E1102-F1109 HydrophobicContact CB-CE2 4Å
1103S85.7Confident91.4Very high93 Ų9341.6 Ų41.665%0.6523%0.233SC*.G310 helixtrans-66.4-30.1-17660.30000112.7T1105 G1106S1103-T1105 PolarHBondContact O-N 3.44Å; S1103-G1106 PolarHBondContact O-N 2.91Å
1104S88.8Confident92Very high60 Ų6040 Ų4042%0.4222%0.217SC..G310 helixtrans-66-25.1177.565.50000113.6E1102E1102-S1104 VanDerWaalsContact C-N 3.28Å; E1102-S1104 VanDerWaalsContact CD-OG 3.23Å; E1102-S1104 WeakPolarHBondContact CG-OG 3.28Å; E1102-S1104 PolarHBondContact O-N 2.67Å; E1102-S1104 WeakPolarHBondContact OE1-CB 3.3Å; E1102-S1104 PolarHBondContact OE1-N 2.99Å; E1102-S1104 PolarHBondContact OE1-OG 3.48Å
1105T90.4Very high92.2Very high81 Ų8137.5 Ų37.550%0.49720%0.199SC..G310 helixtrans-116.73.5-178.865.60000113.5E1102 S1103 T1107E1102-T1105 WeakPolarHBondContact CB-OG1 3.5Å; E1102-T1105 HydrophobicContact CG-CG2 4.05Å; E1102-T1105 VanDerWaalsContact CG-OG1 3.25Å; E1102-T1105 WeakPolarHBondContact CG-OG1 3.25Å; E1102-T1105 PolarHBondContact O-N 3.4Å; E1102-T1105 PolarHBondContact O-OG1 3.42Å; S1103-T1105 PolarHBondContact O-N 3.44Å; T1105-T1107 PolarHBondContact O-N 3.06Å; T1105-T1107 VanDerWaalsContact O-N 3.17Å; T1105-T1107 PolarHBondContact O-OG1 2.94Å; T1105-T1107 WeakPolarHBondContact OG1-CB 3.41Å; T1105-T1107 PolarHBondContact OG1-OG1 2.96Å
1106G89Confident92.1Very high14 Ų1442.1 Ų42.114%0.14422%0.218CC..THydrogen-bonded Turntrans53.632.5-174.800000113.8E1102 S1103 K1166 D1167 L1168E1102-G1106 PolarHBondContact O-N 3.34Å; S1103-G1106 PolarHBondContact O-N 2.91Å; G1106-K1166 CarbonylContact O-C 3.45Å; G1106-D1167 PolarHBondContact O-N 3.3Å; G1106-L1168 CarbonylContact C-O 3.53Å; G1106-L1168 WeakPolarHBondContact CA-O 3.42Å; G1106-L1168 WeakPolarHBondContact O-CB 3.39Å; G1106-L1168 PolarHBondContact O-N 2.91Å
1107T92.9Very high91.8Very high9 Ų945.3 Ų45.36%0.05523%0.233CC..EExtended strand (participates in β ladder)trans-117.8122.9-170.5-60.80000112.1F1101 E1102 T1105 F1109 A1164 Y1165 K1166F1101-T1107 WeakPolarHBondContact CD2-O 3.36Å; E1102-T1107 PolarHBondContact N-O 3.49Å; E1102-T1107 PolarHBondContact O-N 2.9Å; T1105-T1107 PolarHBondContact O-N 3.06Å; T1105-T1107 VanDerWaalsContact O-N 3.17Å; T1105-T1107 PolarHBondContact O-OG1 2.94Å; T1105-T1107 WeakPolarHBondContact OG1-CB 3.41Å; T1105-T1107 PolarHBondContact OG1-OG1 2.96Å; T1107-F1109 HydrophobicContact CG2-CD2 4.08Å; T1107-F1109 HydrophobicContact CG2-CE1 4.09Å; T1107-F1109 HydrophobicContact CG2-CE2 3.56Å; T1107-F1109 HydrophobicContact CG2-CZ 3.57Å; T1107-A1164 HydrophobicContact CG2-CB 4.17Å; T1107-Y1165 CarbonylContact C-O 3.48Å; T1107-Y1165 WeakPolarHBondContact CA-O 3.4Å; T1107-K1166 HydrophobicContact CG2-CG 4.32Å
1108L92.7Very high91.6Very high2 Ų245.7 Ų45.71%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-93.9121.4173.2-176.276.8000109.8V1099 F1101 V1110 L1136 A1164 Y1165 L1168 L1173 L1178 L1201V1099-L1108 HydrophobicContact CG1-CD1 3.74Å; V1099-L1108 HydrophobicContact CG1-CG 4.47Å; F1101-L1108 HydrophobicContact CB-CD1 3.98Å; F1101-L1108 HydrophobicContact CD2-CB 4.31Å; F1101-L1108 HydrophobicContact CD2-CD1 4.5Å; L1108-V1110 HydrophobicContact CD2-CG2 4.22Å; L1108-V1110 HydrophobicContact CG-CG2 4.22Å; L1108-L1136 HydrophobicContact CD2-CD1 4.24Å; L1108-A1164 WeakPolarHBondContact O-CA 3.39Å; L1108-Y1165 HydrophobicContact CD2-CD2 4.39Å; L1108-Y1165 PolarHBondContact N-O 2.91Å; L1108-Y1165 PolarHBondContact O-N 3.18Å; L1108-L1168 HydrophobicContact CB-CD1 3.43Å; L1108-L1168 VanDerWaalsContact CB-CD1 3.43Å; L1108-L1168 HydrophobicContact CD2-CD1 4.37Å; L1108-L1173 HydrophobicContact CD1-CD2 4.19Å; L1108-L1173 HydrophobicContact CD2-CD2 4.02Å; L1108-L1173 HydrophobicContact CG-CD2 4.49Å; L1108-L1178 HydrophobicContact CD2-CD2 4.18Å; L1108-L1201 HydrophobicContact CD2-CD1 3.84Å
1109F94.2Very high91Very high72 Ų7242.9 Ų42.932%0.31623%0.23SC..EExtended strand (participates in β ladder)trans-102.4128.3175.4-63.2-89.6000109.9Y1100 E1102 T1107 T1162 A1164Y1100-F1109 AromaticContact CD1-CD2 3.97Å; Y1100-F1109 HydrophobicContact CD1-CD2 3.97Å; Y1100-F1109 PolarHBondContact N-O 3.16Å; Y1100-F1109 PolarHBondContact O-N 3.2Å; E1102-F1109 HydrophobicContact CB-CE2 4Å; T1107-F1109 HydrophobicContact CG2-CD2 4.08Å; T1107-F1109 HydrophobicContact CG2-CE1 4.09Å; T1107-F1109 HydrophobicContact CG2-CE2 3.56Å; T1107-F1109 HydrophobicContact CG2-CZ 3.57Å; F1109-T1162 HydrophobicContact CB-CG2 3.97Å; F1109-T1162 HydrophobicContact CD1-CG2 4.03Å; F1109-A1164 HydrophobicContact CD1-CB 4.15Å; F1109-A1164 HydrophobicContact CE1-CB 4.19Å
1110V94.6Very high90.1Very high0 Ų051.2 Ų51.20%026%0.261CS..EExtended strand (participates in β ladder)trans-123.2105179.8-177.70000108.4L1108 T1162 V1163 Y1165 L1178 F1180L1108-V1110 HydrophobicContact CD2-CG2 4.22Å; L1108-V1110 HydrophobicContact CG-CG2 4.22Å; V1110-T1162 WeakPolarHBondContact O-CA 3.36Å; V1110-V1163 HydrophobicContact CB-CG2 3.94Å; V1110-V1163 PolarHBondContact N-O 2.91Å; V1110-V1163 PolarHBondContact O-N 3.3Å; V1110-Y1165 HydrophobicContact CG2-CD2 4.39Å; V1110-Y1165 HydrophobicContact CG2-CE2 4.3Å; V1110-L1178 HydrophobicContact CG1-CD1 4.09Å; V1110-L1178 HydrophobicContact CG2-CD1 3.55Å; V1110-L1178 HydrophobicContact CG2-CD2 4.05Å; V1110-L1178 HydrophobicContact CG2-CG 4.48Å; V1110-F1180 HydrophobicContact CG1-CE1 3.66Å; V1110-F1180 HydrophobicContact CG1-CZ 3.7Å
1111T95.1Very high89.1Confident26 Ų2647.4 Ų47.416%0.1625%0.249CC..EExtended strand (participates in β ladder)trans-93.4109.6-179.7-600000110A1097 R1098 V1113 T1162A1097-T1111 CarbonylContact C-O 3.49Å; A1097-T1111 VanDerWaalsContact CA-O 3.29Å; A1097-T1111 WeakPolarHBondContact CA-O 3.34Å; R1098-T1111 PolarHBondContact N-O 3.25Å; R1098-T1111 PolarHBondContact O-N 3.03Å; T1111-V1113 HydrophobicContact CG2-CG2 4.36Å; T1111-V1113 PolarHBondContact O-N 3.28Å; T1111-T1162 WeakPolarHBondContact OG1-CG2 3.18Å; T1111-T1162 PolarHBondContact OG1-OG1 3.03Å
1112I95.4Very high87.7Confident0 Ų054.8 Ų54.80%028%0.284CS..EExtended strand (participates in β ladder)trans-87103.1177.5-58158.6000106.3V1132 V1134 T1148 W1159 N1160 Q1161 F1180I1112-V1132 HydrophobicContact CD1-CB 4.36Å; I1112-V1132 HydrophobicContact CD1-CG1 4.4Å; I1112-V1132 HydrophobicContact CG2-CB 4.2Å; I1112-V1132 HydrophobicContact CG2-CG2 3.83Å; I1112-V1134 HydrophobicContact CD1-CG2 3.59Å; I1112-V1134 HydrophobicContact CG1-CG2 4.32Å; I1112-T1148 HydrophobicContact CB-CG2 3.94Å; I1112-T1148 HydrophobicContact CD1-CG2 3.5Å; I1112-T1148 VanDerWaalsContact CD1-CG2 3.5Å; I1112-T1148 HydrophobicContact CG1-CG2 4.33Å; I1112-T1148 HydrophobicContact CG2-CG2 3.89Å; I1112-W1159 HydrophobicContact CG2-CD2 4.32Å; I1112-W1159 HydrophobicContact CG2-CE3 3.72Å; I1112-W1159 HydrophobicContact CG2-CZ3 4.29Å; I1112-N1160 WeakPolarHBondContact O-CA 3.41Å; I1112-N1160 PolarHBondContact O-N 2.99Å; I1112-N1160 VanDerWaalsContact O-N 3.17Å; I1112-Q1161 PolarHBondContact N-O 3.39Å; I1112-Q1161 PolarHBondContact O-N 2.79Å; I1112-F1180 HydrophobicContact CG1-CE1 4.31Å
1113V94.4Very high86.3Confident15 Ų1561.6 Ų61.69%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-76.4-64.5-173-176.50000108.9Q1096 T1111 E1158 W1159 N1160Q1096-V1113 HydrophobicContact CB-CB 4.18Å; Q1096-V1113 HydrophobicContact CG-CB 4.01Å; Q1096-V1113 HydrophobicContact CG-CG1 4.39Å; Q1096-V1113 HydrophobicContact CG-CG2 4.14Å; Q1096-V1113 WeakPolarHBondContact O-CB 3.32Å; Q1096-V1113 PolarHBondContact O-N 3.17Å; T1111-V1113 HydrophobicContact CG2-CG2 4.36Å; T1111-V1113 PolarHBondContact O-N 3.28Å; V1113-E1158 CarbonylContact O-C 3.13Å; V1113-W1159 PolarHBondContact O-N 2.91Å; V1113-N1160 PolarHBondContact O-N 2.98Å
1114G93.9Very high85.1Confident9 Ų963.6 Ų63.69%0.09331%0.306CS..EExtended strand (participates in β ladder)trans-172.1173.7-177.400000112.4Q1096 P1157Q1096-G1114 PolarHBondContact N-O 3.19Å; Q1096-G1114 PolarHBondContact O-N 3.3Å; G1114-P1157 CarbonylContact C-O 3.42Å; G1114-P1157 WeakPolarHBondContact CA-O 3.48Å
1115A93.8Very high84.1Confident3 Ų373.2 Ų73.23%0.02533%0.333CS..EExtended strand (participates in β ladder)trans-125.1154.8166.100000109.9S1094 L1095 L1118 N1156 P1157 W1159S1094-A1115 WeakPolarHBondContact O-CA 3.35Å; S1094-A1115 WeakPolarHBondContact O-CB 3.45Å; L1095-A1115 HydrophobicContact CD1-CB 3.98Å; A1115-L1118 HydrophobicContact CB-CD1 4.05Å; A1115-L1118 HydrophobicContact CB-CD2 3.81Å; A1115-L1118 HydrophobicContact CB-CG 3.89Å; A1115-N1156 CarbonylContact O-C 3.57Å; A1115-N1156 WeakPolarHBondContact O-CA 3.37Å; A1115-P1157 HydrophobicContact CB-CG 3.88Å; A1115-P1157 PolarHBondContact N-O 2.93Å; A1115-P1157 VanDerWaalsContact O-CD 3.29Å; A1115-P1157 WeakPolarHBondContact O-CD 3.45Å; A1115-W1159 HydrophobicContact CB-CH2 4.03Å; A1115-W1159 HydrophobicContact CB-CZ3 3.83Å
1116K91.5Very high83.4Confident124 Ų12478.4 Ų78.454%0.53934%0.344SS..EExtended strand (participates in β ladder)trans-121.9152.9175.4-64.1176.8-176.8172.40109.1G1093 S1094 L1118G1093-K1116 WeakPolarHBondContact CA-O 3.1Å; S1094-K1116 PolarHBondContact N-O 3.45Å; S1094-K1116 PolarHBondContact O-N 3.45Å; S1094-K1116 VanDerWaalsContact O-N 3.09Å; K1116-L1118 PolarHBondContact O-N 2.95Å; K1116-L1118 VanDerWaalsContact O-N 3.1Å
1117E87.7Confident83.1Confident128 Ų12880.5 Ų80.560%0.59836%0.355SS*.SBendtrans55.827.5170.2-58-175.6174.700115.4S1092 I1155 N1156S1092-E1117 CarbonylContact C-O 3.54Å; E1117-I1155 PolarHBondContact N-O 2.88Å; E1117-N1156 PolarHBondContact N-OD1 3.38Å
1118L88.6Confident82.9Confident11 Ų1180.3 Ų80.36%0.05835%0.354CS..PPolyproline II helixtrans-55.1140.6-177.5-70.1-179.5000111.9A1115 K1116 R1120 P1130 I1155 P1157 V1182 L1194A1115-L1118 HydrophobicContact CB-CD1 4.05Å; A1115-L1118 HydrophobicContact CB-CD2 3.81Å; A1115-L1118 HydrophobicContact CB-CG 3.89Å; K1116-L1118 PolarHBondContact O-N 2.95Å; K1116-L1118 VanDerWaalsContact O-N 3.1Å; L1118-R1120 PolarHBondContact O-N 2.9Å; L1118-P1130 HydrophobicContact CD1-CB 3.58Å; L1118-P1130 HydrophobicContact CD1-CG 3.98Å; L1118-I1155 WeakPolarHBondContact CB-O 3.47Å; L1118-I1155 WeakPolarHBondContact CG-O 3.49Å; L1118-I1155 PolarHBondContact N-O 3.44Å; L1118-P1157 HydrophobicContact CD1-CG 3.65Å; L1118-V1182 HydrophobicContact CD1-CG1 3.94Å; L1118-V1182 HydrophobicContact CD2-CG1 4.14Å; L1118-L1194 HydrophobicContact CD1-CD1 4.31Å
1119P82.5Confident82.8Confident50 Ų5081.8 Ų81.833%0.32536%0.362SS..PPolyproline II helixtrans-49.6122.5-177.8-31.436.3000113
1120R71.7Confident82.8Confident182 Ų18278.4 Ų78.469%0.68735%0.347SS*.PPolyproline II helixtrans-65.3136.8167.7-69.4-178.4-179.3-170.91.3108.1L1118 E1122 I1155L1118-R1120 PolarHBondContact O-N 2.9Å; R1120-E1122 VanDerWaalsContact C-N 3.29Å; R1120-E1122 PolarHBondContact O-N 3.16Å; R1120-I1155 HydrophobicContact CG-CG2 3.86Å
1121L68.9Low82.8Confident47 Ų4778.4 Ų78.425%0.24635%0.347CS..  trans-73.185.4178.3179.460.7000109.3K1123 R1124 I1192L1121-K1123 PolarHBondContact O-N 3.41Å; L1121-R1124 HydrophobicContact CD2-CB 4.09Å; L1121-R1124 HydrophobicContact CD2-CG 3.76Å; L1121-R1124 HydrophobicContact CG-CB 4.19Å; L1121-R1124 HydrophobicContact CG-CG 4.14Å; L1121-R1124 CarbonylContact O-C 3.52Å; L1121-R1124 WeakPolarHBondContact O-CA 3.41Å; L1121-R1124 PolarHBondContact O-N 3.47Å; L1121-I1192 HydrophobicContact CD1-CD1 4.2Å; L1121-I1192 HydrophobicContact CD1-CG2 4.26Å; L1121-I1192 HydrophobicContact CD2-CD1 3.49Å; L1121-I1192 VanDerWaalsContact CD2-CD1 3.49Å
1122E59.3Low82.9Confident175 Ų17577.2 Ų77.282%0.81834%0.339SS*.THydrogen-bonded Turntrans-40.3-42.7-170.3-171.355.8-148.900114.5R1120 R1124R1120-E1122 VanDerWaalsContact C-N 3.29Å; R1120-E1122 PolarHBondContact O-N 3.16Å; E1122-R1124 PolarHBondContact O-N 3.48Å
1123K61.3Low82.8Confident193 Ų19378.5 Ų78.584%0.83935%0.345SS*.THydrogen-bonded Turntrans-71.88179.1-57.3-176.8-179.3-179.20114.6L1121L1121-K1123 PolarHBondContact O-N 3.41Å
1124R61.2Low82.8Confident134 Ų13477.8 Ų77.851%0.50634%0.341SS..SBendtrans-150.7127.1-177.8-63.4-64.2167.4111.3-11111.3L1121 E1122 R1126L1121-R1124 HydrophobicContact CD2-CB 4.09Å; L1121-R1124 HydrophobicContact CD2-CG 3.76Å; L1121-R1124 HydrophobicContact CG-CB 4.19Å; L1121-R1124 HydrophobicContact CG-CG 4.14Å; L1121-R1124 CarbonylContact O-C 3.52Å; L1121-R1124 WeakPolarHBondContact O-CA 3.41Å; L1121-R1124 PolarHBondContact O-N 3.47Å; E1122-R1124 PolarHBondContact O-N 3.48Å; R1124-R1126 HydrophobicContact CB-CB 4.42Å; R1124-R1126 PolarHBondContact O-N 3Å
1125R67.9Low82.9Confident263 Ų26379.3 Ų79.399%0.99234%0.344SS*.SBendtrans-68.934.9164.9-68.8-171174.8-169.9-0.4113.7
1126R74.6Confident82.8Confident189 Ų18979.3 Ų79.371%0.71334%0.343SS*.SBendtrans-125.9125.8-179.3-66.2-175-179.1179.20.1108.9R1124R1124-R1126 HydrophobicContact CB-CB 4.42Å; R1124-R1126 PolarHBondContact O-N 3Å
1127P83.5Confident82.9Confident59 Ų5974.5 Ų74.538%0.38332%0.323SS..  trans-60.2152.3170.2-20.632.6000111.2K1153P1127-K1153 HydrophobicContact CB-CB 4.41Å; P1127-K1153 WeakPolarHBondContact CB-O 3.27Å
1128P87.7Confident82.8Confident5 Ų573 Ų733%0.03233%0.325CS..  trans-69.5169.5179.728.2-31.6000112.3P1130 K1153 T1154 I1155 L1194P1128-P1130 WeakPolarHBondContact O-CD 3.47Å; P1128-K1153 CarbonylContact O-C 3.42Å; P1128-K1153 WeakPolarHBondContact O-CA 3.27Å; P1128-K1153 PolarHBondContact O-N 2.87Å; P1128-K1153 VanDerWaalsContact O-N 3.14Å; P1128-T1154 WeakPolarHBondContact CG-O 3.38Å; P1128-T1154 PolarHBondContact O-N 3.07Å; P1128-I1155 HydrophobicContact CG-CG2 4.35Å; P1128-L1194 HydrophobicContact CB-CD1 3.9Å; P1128-L1194 HydrophobicContact CB-CD2 4.37Å; P1128-L1194 HydrophobicContact CG-CD1 4.17Å
1129N91Very high82.3Confident33 Ų3379 Ų7918%0.17635%0.35CS..  trans-11067.2173-54-54000110.5F1150 L1151 P1152 K1153 S1184 Y1185N1129-F1150 HydrophobicContact CB-CD2 4.12Å; N1129-L1151 CarbonylContact C-O 3.45Å; N1129-L1151 WeakPolarHBondContact CA-O 3.34Å; N1129-P1152 WeakPolarHBondContact OD1-CA 3.17Å; N1129-K1153 PolarHBondContact OD1-N 2.9Å; N1129-S1184 PolarHBondContact N-OG 2.95Å; N1129-Y1185 WeakPolarHBondContact CB-O 3.34Å; N1129-Y1185 PolarHBondContact ND2-O 2.82Å; N1129-Y1185 PolarHBondContact O-N 3.17Å
1130P94.2Very high82.2Confident0 Ų083.5 Ų83.50%036%0.361CS..EExtended strand (participates in β ladder)trans-69.7141.8-161.331.2-41.2000114.6L1118 P1128 F1150 L1151 T1154 P1157 W1159 V1182 W1183 L1194L1118-P1130 HydrophobicContact CD1-CB 3.58Å; L1118-P1130 HydrophobicContact CD1-CG 3.98Å; P1128-P1130 WeakPolarHBondContact O-CD 3.47Å; P1130-F1150 WeakPolarHBondContact O-CA 3.29Å; P1130-L1151 VanDerWaalsContact CD-O 3.3Å; P1130-L1151 WeakPolarHBondContact CD-O 3.41Å; P1130-L1151 PolarHBondContact O-N 2.71Å; P1130-T1154 VanDerWaalsContact CD-O 3.22Å; P1130-T1154 WeakPolarHBondContact CD-O 3.41Å; P1130-T1154 HydrophobicContact CG-CG2 3.83Å; P1130-T1154 WeakPolarHBondContact CG-O 3.2Å; P1130-P1157 HydrophobicContact CB-CB 4.49Å; P1130-P1157 HydrophobicContact CB-CG 4.09Å; P1130-P1157 HydrophobicContact CG-CB 3.68Å; P1130-P1157 HydrophobicContact CG-CG 3.61Å; P1130-W1159 HydrophobicContact CB-CH2 4.42Å; P1130-W1159 HydrophobicContact CB-CZ2 3.89Å; P1130-W1159 HydrophobicContact CG-CZ2 4.34Å; P1130-W1159 PolarHBondContact O-NE1 3.08Å; P1130-V1182 HydrophobicContact CB-CG1 4.36Å; P1130-W1183 CarbonylContact C-O 3.59Å; P1130-W1183 VanDerWaalsContact CA-O 3.27Å; P1130-W1183 WeakPolarHBondContact CA-O 3.48Å; P1130-L1194 HydrophobicContact CB-CD1 4.09Å
1131F95.3Very high82.6Confident1 Ų181.8 Ų81.80%0.00435%0.354CS..EExtended strand (participates in β ladder)trans-139160.4164.371.6-79.3000110.8K1133 R1147 F1150 V1182 W1183 Y1185 N1191F1131-K1133 HydrophobicContact CD2-CG 4.21Å; F1131-K1133 HydrophobicContact CE2-CD 4.22Å; F1131-K1133 VanDerWaalsContact CE2-CE 3.43Å; F1131-K1133 HydrophobicContact CE2-CG 3.73Å; F1131-R1147 HydrophobicContact CD2-CB 4.37Å; F1131-F1150 HydrophobicContact CB-CB 3.88Å; F1131-F1150 HydrophobicContact CD1-CB 4.24Å; F1131-F1150 HydrophobicContact CG-CB 4.42Å; F1131-V1182 WeakPolarHBondContact O-CA 3.41Å; F1131-W1183 HydrophobicContact CD1-CB 3.94Å; F1131-W1183 WeakPolarHBondContact CD1-O 3.28Å; F1131-W1183 HydrophobicContact CE1-CB 3.52Å; F1131-W1183 HydrophobicContact CE1-CG 4.5Å; F1131-W1183 HydrophobicContact CE2-CB 4.35Å; F1131-W1183 HydrophobicContact CZ-CB 3.76Å; F1131-W1183 HydrophobicContact CZ-CG 4.28Å; F1131-W1183 PolarHBondContact N-O 2.79Å; F1131-W1183 PolarHBondContact O-N 3.34Å; F1131-Y1185 HydrophobicContact CE1-CD2 4.41Å; F1131-N1191 HydrophobicContact CE1-CB 4.27Å; F1131-N1191 HydrophobicContact CZ-CB 4.39Å
1132V95.7Very high83Confident0 Ų082 Ų820%036%0.358CS..EExtended strand (participates in β ladder)trans-112.6135.5178.8-171.10000109.6L1095 I1112 V1134 R1147 T1148 W1159 F1180 T1181 V1182L1095-V1132 HydrophobicContact CD1-CG2 4.01Å; L1095-V1132 HydrophobicContact CD2-CG1 4.41Å; I1112-V1132 HydrophobicContact CD1-CB 4.36Å; I1112-V1132 HydrophobicContact CD1-CG1 4.4Å; I1112-V1132 HydrophobicContact CG2-CB 4.2Å; I1112-V1132 HydrophobicContact CG2-CG2 3.83Å; V1132-V1134 HydrophobicContact CG1-CG2 4.17Å; V1132-R1147 CarbonylContact O-C 3.58Å; V1132-R1147 WeakPolarHBondContact O-CA 3.35Å; V1132-R1147 WeakPolarHBondContact O-CB 3.27Å; V1132-T1148 HydrophobicContact CB-CG2 4.39Å; V1132-T1148 PolarHBondContact N-OG1 2.9Å; V1132-T1148 PolarHBondContact O-N 3.38Å; V1132-W1159 HydrophobicContact CG2-CD2 4.22Å; V1132-W1159 HydrophobicContact CG2-CE3 3.9Å; V1132-W1159 HydrophobicContact CG2-CH2 3.31Å; V1132-W1159 HydrophobicContact CG2-CZ2 3.67Å; V1132-W1159 HydrophobicContact CG2-CZ3 3.44Å; V1132-W1159 VanDerWaalsContact CG2-CZ3 3.44Å; V1132-F1180 HydrophobicContact CG1-CB 4.29Å; V1132-F1180 HydrophobicContact CG1-CD1 4.2Å; V1132-T1181 CarbonylContact C-O 3.54Å; V1132-T1181 WeakPolarHBondContact CA-O 3.41Å; V1132-V1182 HydrophobicContact CG2-CG2 4.36Å
1133K94.5Very high83.9Confident27 Ų2778.6 Ų78.612%0.11734%0.342CS..EExtended strand (participates in β ladder)trans-104.8136.3163.9-51.7171-167.1159.30108.5F1131 Y1135 R1146 R1147 F1180 T1181F1131-K1133 HydrophobicContact CD2-CG 4.21Å; F1131-K1133 HydrophobicContact CE2-CD 4.22Å; F1131-K1133 VanDerWaalsContact CE2-CE 3.43Å; F1131-K1133 HydrophobicContact CE2-CG 3.73Å; K1133-Y1135 HydrophobicContact CB-CE2 4.43Å; K1133-R1146 CarbonylContact C-O 3.59Å; K1133-R1146 WeakPolarHBondContact CA-O 3.12Å; K1133-R1147 HydrophobicContact CG-CB 4.27Å; K1133-F1180 CarbonylContact O-C 3.53Å; K1133-F1180 WeakPolarHBondContact O-CA 3.41Å; K1133-T1181 PolarHBondContact N-O 3.34Å; K1133-T1181 PolarHBondContact O-N 3.07Å; K1133-T1181 PolarHBondContact O-OG1 2.9Å
1134V95.2Very high85.2Confident0 Ų070.9 Ų70.90%031%0.31CS..EExtended strand (participates in β ladder)trans-118.2133.9176.4-1720000109.6I1112 V1132 K1145 R1146 Y1165 L1178 E1179 F1180I1112-V1134 HydrophobicContact CD1-CG2 3.59Å; I1112-V1134 HydrophobicContact CG1-CG2 4.32Å; V1132-V1134 HydrophobicContact CG1-CG2 4.17Å; V1134-K1145 WeakPolarHBondContact O-CA 3.23Å; V1134-R1146 PolarHBondContact N-O 3.01Å; V1134-R1146 PolarHBondContact O-N 2.92Å; V1134-Y1165 HydrophobicContact CG1-CE2 4.42Å; V1134-Y1165 PolarHBondContact O-OH 2.86Å; V1134-Y1165 VanDerWaalsContact O-OH 3.06Å; V1134-L1178 HydrophobicContact CG1-CB 4.44Å; V1134-L1178 HydrophobicContact CG1-CD2 4.05Å; V1134-E1179 CarbonylContact C-O 3.6Å; V1134-E1179 WeakPolarHBondContact CA-O 3.32Å; V1134-F1180 HydrophobicContact CG1-CD1 4.32Å; V1134-F1180 HydrophobicContact CG1-CE1 4.22Å; V1134-F1180 HydrophobicContact CG2-CD1 3.55Å; V1134-F1180 HydrophobicContact CG2-CE1 3.81Å; V1134-F1180 HydrophobicContact CG2-CG 4.41Å
1135Y94.6Very high86.6Confident41 Ų4166.6 Ų66.616%0.16130%0.295CS..EExtended strand (participates in β ladder)trans-119.6129.9172.3-67-85000110.8K1133 L1137 N1144 K1145 E1179K1133-Y1135 HydrophobicContact CB-CE2 4.43Å; Y1135-L1137 PolarHBondContact O-N 3.24Å; Y1135-N1144 WeakPolarHBondContact CA-O 3.13Å; Y1135-K1145 HydrophobicContact CD1-CB 4Å; Y1135-K1145 HydrophobicContact CD1-CG 4.17Å; Y1135-K1145 HydrophobicContact CE1-CB 3.73Å; Y1135-K1145 HydrophobicContact CE1-CD 3.75Å; Y1135-K1145 HydrophobicContact CE1-CG 3.54Å; Y1135-K1145 WeakPolarHBondContact OH-CE 3.17Å; Y1135-E1179 PolarHBondContact N-O 3.02Å; Y1135-E1179 PolarHBondContact O-N 2.77Å
1136L92.9Very high87.7Confident3 Ų357.7 Ų57.72%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-83.198.2168.2-175.863.8000109.5L1108 N1144 Y1165 L1168 K1176 L1178 L1201L1108-L1136 HydrophobicContact CD2-CD1 4.24Å; L1136-N1144 HydrophobicContact CB-CB 4.23Å; L1136-N1144 PolarHBondContact N-O 2.92Å; L1136-N1144 VanDerWaalsContact N-O 3.07Å; L1136-N1144 PolarHBondContact O-ND2 2.98Å; L1136-Y1165 HydrophobicContact CB-CD1 4.12Å; L1136-Y1165 HydrophobicContact CB-CE1 3.92Å; L1136-Y1165 HydrophobicContact CB-CE2 4.38Å; L1136-Y1165 HydrophobicContact CB-CG 4.44Å; L1136-Y1165 HydrophobicContact CD2-CD1 4.13Å; L1136-Y1165 HydrophobicContact CD2-CG 4.01Å; L1136-L1168 HydrophobicContact CD2-CD1 4.12Å; L1136-L1168 HydrophobicContact CD2-CD2 3.82Å; L1136-K1176 HydrophobicContact CD1-CB 4.12Å; L1136-K1176 HydrophobicContact CD1-CD 3.99Å; L1136-K1176 HydrophobicContact CD2-CD 4.19Å; L1136-K1176 HydrophobicContact CG-CD 4.06Å; L1136-L1178 HydrophobicContact CD1-CD2 3.87Å; L1136-L1201 HydrophobicContact CD1-CD1 4.25Å
1137L92.5Very high88.6Confident23 Ų2351 Ų5112%0.1224%0.236CC..EExtended strand (participates in β ladder)trans-70.6158178.8-61.7-171000111.4Y1135 R1140 K1176 A1177 E1179 V1198Y1135-L1137 PolarHBondContact O-N 3.24Å; L1137-R1140 HydrophobicContact CD2-CG 3.49Å; L1137-R1140 VanDerWaalsContact CD2-CG 3.49Å; L1137-K1176 WeakPolarHBondContact O-CB 3.41Å; L1137-K1176 VanDerWaalsContact O-CG 3.29Å; L1137-K1176 WeakPolarHBondContact O-CG 3.5Å; L1137-A1177 HydrophobicContact CB-CB 4.23Å; L1137-A1177 WeakPolarHBondContact CB-O 3.44Å; L1137-A1177 HydrophobicContact CD1-CB 4.36Å; L1137-A1177 PolarHBondContact N-O 3.24Å; L1137-E1179 HydrophobicContact CD1-CB 3.88Å; L1137-E1179 HydrophobicContact CD2-CB 4.32Å; L1137-E1179 HydrophobicContact CG-CB 4.03Å; L1137-V1198 HydrophobicContact CD1-CG1 4.4Å
1138P85.8Confident89Confident97 Ų9748.3 Ų48.363%0.6322%0.219SC*.SBendcis-77.8-20.6330.5-36000114.8R1140P1138-R1140 PolarHBondContact O-N 3.49Å
1139K79Confident89.3Confident136 Ų13655.5 Ų55.559%0.59125%0.249SC*.  trans-73.989.2-173.9-64.6-178.7-177.8179.20111.6R1141 N1144K1139-R1141 HydrophobicContact CB-CG 4.42Å; K1139-R1141 PolarHBondContact O-N 3.4Å; K1139-N1144 WeakPolarHBondContact O-CB 3.35Å; K1139-N1144 PolarHBondContact O-ND2 2.83Å
1140R80.2Confident89.3Confident145 Ų14558.1 Ų58.155%0.54726%0.259SS..  trans-72.159169.8-70.3-166.3179.491.3-5.1112.6L1137 P1138 E1179L1137-R1140 HydrophobicContact CD2-CG 3.49Å; L1137-R1140 VanDerWaalsContact CD2-CG 3.49Å; P1138-R1140 PolarHBondContact O-N 3.49Å; R1140-E1179 IonicContact CZ-OE2 2.85Å; R1140-E1179 IonicContact NE-OE2 3.2Å; R1140-E1179 PolarHBondContact NE-OE2 2.84Å; R1140-E1179 IonicContact NH2-OE1 2.78Å; R1140-E1179 PolarHBondContact NH2-OE1 3.16Å; R1140-E1179 IonicContact NH2-OE2 3.85Å; R1140-E1179 PolarHBondContact NH2-OE2 2.79Å
1141R79.3Confident89.1Confident146 Ų14660.6 Ų60.655%0.55127%0.272SS*.SBendtrans-106.4167.8174.3-55.1171.355.2126.1-4.6111K1139 E1143 N1144 K1145K1139-R1141 HydrophobicContact CB-CG 4.42Å; K1139-R1141 PolarHBondContact O-N 3.4Å; R1141-E1143 VanDerWaalsContact C-N 3.33Å; R1141-E1143 WeakPolarHBondContact CB-OE2 3.43Å; R1141-E1143 IonicContact CZ-OE1 3.87Å; R1141-E1143 IonicContact CZ-OE2 3.38Å; R1141-E1143 IonicContact NE-OE1 3.52Å; R1141-E1143 PolarHBondContact NE-OE1 2.91Å; R1141-E1143 IonicContact NE-OE2 2.69Å; R1141-E1143 PolarHBondContact NE-OE2 3.1Å; R1141-E1143 IonicContact NH2-OE1 3.76Å; R1141-E1143 PolarHBondContact NH2-OE1 2.81Å; R1141-E1143 IonicContact NH2-OE2 2.67Å; R1141-E1143 PolarHBondContact O-N 2.83Å; R1141-N1144 PolarHBondContact O-N 2.85Å; R1141-K1145 PolarHBondContact O-N 3.4Å
1142V77.3Confident88.7Confident52 Ų5264.7 Ų64.732%0.31530%0.299SS..G310 helixtrans-66.6-33.2-177.6-177.50000111.9N1144 K1145V1142-N1144 PolarHBondContact O-N 3.4Å; V1142-K1145 WeakPolarHBondContact O-CB 3.34Å; V1142-K1145 PolarHBondContact O-N 2.85Å
1143E79Confident88.3Confident104 Ų10472.3 Ų72.349%0.48633%0.332SS..G310 helixtrans-63.3-27.7176.5-47.791153.400112.2R1141 R1146R1141-E1143 VanDerWaalsContact C-N 3.33Å; R1141-E1143 WeakPolarHBondContact CB-OE2 3.43Å; R1141-E1143 IonicContact CZ-OE1 3.87Å; R1141-E1143 IonicContact CZ-OE2 3.38Å; R1141-E1143 IonicContact NE-OE1 3.52Å; R1141-E1143 PolarHBondContact NE-OE1 2.91Å; R1141-E1143 IonicContact NE-OE2 2.69Å; R1141-E1143 PolarHBondContact NE-OE2 3.1Å; R1141-E1143 IonicContact NH2-OE1 3.76Å; R1141-E1143 PolarHBondContact NH2-OE1 2.81Å; R1141-E1143 IonicContact NH2-OE2 2.67Å; R1141-E1143 PolarHBondContact O-N 2.83Å; E1143-R1146 PolarHBondContact O-NH1 2.94Å; E1143-R1146 PolarHBondContact O-NH2 2.92Å
1144N87.4Confident88.1Confident31 Ų3172.8 Ų72.817%0.16634%0.337CS..G310 helixtrans-95.32.7177.7-7739.5000113.3Y1135 L1136 K1139 R1141 V1142 Y1165Y1135-N1144 WeakPolarHBondContact CA-O 3.13Å; L1136-N1144 HydrophobicContact CB-CB 4.23Å; L1136-N1144 PolarHBondContact N-O 2.92Å; L1136-N1144 VanDerWaalsContact N-O 3.07Å; L1136-N1144 PolarHBondContact O-ND2 2.98Å; K1139-N1144 WeakPolarHBondContact O-CB 3.35Å; K1139-N1144 PolarHBondContact O-ND2 2.83Å; R1141-N1144 PolarHBondContact O-N 2.85Å; V1142-N1144 PolarHBondContact O-N 3.4Å; N1144-Y1165 WeakPolarHBondContact O-CE1 3.46Å; N1144-Y1165 PolarHBondContact O-OH 3.46Å
1145K90.6Very high87.8Confident43 Ų4374.5 Ų74.519%0.18735%0.346CS..EExtended strand (participates in β ladder)trans-95.5136.7178.9-173.7177.4-178.8172.80110.5E1008 V1134 Y1135 R1141 V1142E1008-K1145 IonicContact OE1-NZ 2.64Å; E1008-K1145 PolarHBondContact OE1-NZ 3.44Å; E1008-K1145 IonicContact OE2-NZ 2.93Å; E1008-K1145 PolarHBondContact OE2-NZ 3.48Å; V1134-K1145 WeakPolarHBondContact O-CA 3.23Å; Y1135-K1145 HydrophobicContact CD1-CB 4Å; Y1135-K1145 HydrophobicContact CD1-CG 4.17Å; Y1135-K1145 HydrophobicContact CE1-CB 3.73Å; Y1135-K1145 HydrophobicContact CE1-CD 3.75Å; Y1135-K1145 HydrophobicContact CE1-CG 3.54Å; Y1135-K1145 WeakPolarHBondContact OH-CE 3.17Å; R1141-K1145 PolarHBondContact O-N 3.4Å; V1142-K1145 WeakPolarHBondContact O-CB 3.34Å; V1142-K1145 PolarHBondContact O-N 2.85Å
1146R92.2Very high87.8Confident77 Ų7776.9 Ų76.929%0.29136%0.362SS..EExtended strand (participates in β ladder)trans-137.6161.8170.5-60-69.5-179.6-86-5.2109K1133 V1134 E1143 V1163 A1164 Y1165K1133-R1146 CarbonylContact C-O 3.59Å; K1133-R1146 WeakPolarHBondContact CA-O 3.12Å; V1134-R1146 PolarHBondContact N-O 3.01Å; V1134-R1146 PolarHBondContact O-N 2.92Å; E1143-R1146 PolarHBondContact O-NH1 2.94Å; E1143-R1146 PolarHBondContact O-NH2 2.92Å; R1146-V1163 HydrophobicContact CB-CB 3.8Å; R1146-V1163 HydrophobicContact CB-CG1 3.97Å; R1146-V1163 HydrophobicContact CB-CG2 3.8Å; R1146-V1163 HydrophobicContact CG-CB 3.87Å; R1146-V1163 HydrophobicContact CG-CG2 3.98Å; R1146-A1164 PolarHBondContact NE-O 3.42Å; R1146-A1164 PolarHBondContact NH2-O 3.06Å; R1146-Y1165 HydrophobicContact CG-CD1 4.44Å; R1146-Y1165 HydrophobicContact CG-CE1 3.61Å; R1146-Y1165 HydrophobicContact CG-CE2 4.19Å; R1146-Y1165 VanDerWaalsContact CG-CZ 3.49Å; R1146-Y1165 WeakPolarHBondContact CG-OH 3.28Å
1147R92.2Very high87.8Confident48 Ų4876.9 Ų76.918%0.18136%0.362CS..EExtended strand (participates in β ladder)trans-149.5160.616865164.1170.3175.5-6.8113.1E1006 F1131 V1132 K1133E1006-R1147 IonicContact OE1-CZ 3.54Å; E1006-R1147 IonicContact OE1-NE 2.63Å; E1006-R1147 PolarHBondContact OE1-NE 2.98Å; E1006-R1147 IonicContact OE1-NH2 2.89Å; E1006-R1147 PolarHBondContact OE1-NH2 3.31Å; E1006-R1147 IonicContact OE2-CZ 2.6Å; E1006-R1147 IonicContact OE2-NE 2.76Å; E1006-R1147 PolarHBondContact OE2-NE 3.38Å; E1006-R1147 IonicContact OE2-NH2 2.69Å; E1006-R1147 PolarHBondContact OE2-NH2 3.35Å; F1131-R1147 HydrophobicContact CD2-CB 4.37Å; V1132-R1147 CarbonylContact O-C 3.58Å; V1132-R1147 WeakPolarHBondContact O-CA 3.35Å; V1132-R1147 WeakPolarHBondContact O-CB 3.27Å; K1133-R1147 HydrophobicContact CG-CB 4.27Å
1148T93.4Very high87.9Confident3 Ų382.1 Ų82.12%0.01839%0.386CS..PPolyproline II helixtrans-82.9160.8163.763.40000111.4I1112 V1132 W1159 Q1161I1112-T1148 HydrophobicContact CB-CG2 3.94Å; I1112-T1148 HydrophobicContact CD1-CG2 3.5Å; I1112-T1148 VanDerWaalsContact CD1-CG2 3.5Å; I1112-T1148 HydrophobicContact CG1-CG2 4.33Å; I1112-T1148 HydrophobicContact CG2-CG2 3.89Å; V1132-T1148 HydrophobicContact CB-CG2 4.39Å; V1132-T1148 PolarHBondContact N-OG1 2.9Å; V1132-T1148 PolarHBondContact O-N 3.38Å; T1148-W1159 HydrophobicContact CG2-CB 4.02Å; T1148-W1159 HydrophobicContact CG2-CD2 4.44Å; T1148-W1159 HydrophobicContact CG2-CG 3.96Å; T1148-W1159 PolarHBondContact OG1-NE1 3.46Å; T1148-Q1161 HydrophobicContact CG2-CB 3.91Å
1149K92.2Very high88.4Confident155 Ų15578 Ų7867%0.67436%0.358SS*.PPolyproline II helixtrans-62.6146.5160-62.9178.3-178.5177.70109.6W1159K1149-W1159 PolarHBondContact O-NE1 2.92Å
1150F91.1Very high89.1Confident89 Ų8975.6 Ų75.639%0.3935%0.351SS..PPolyproline II helixtrans-75.3148.9173.576.5-91.8000111.8N1129 P1130 F1131 Y1185N1129-F1150 HydrophobicContact CB-CD2 4.12Å; P1130-F1150 WeakPolarHBondContact O-CA 3.29Å; F1131-F1150 HydrophobicContact CB-CB 3.88Å; F1131-F1150 HydrophobicContact CD1-CB 4.24Å; F1131-F1150 HydrophobicContact CG-CB 4.42Å; F1150-Y1185 HydrophobicContact CB-CG 4.35Å; F1150-Y1185 AromaticContact CD1-CD1 3.57Å; F1150-Y1185 HydrophobicContact CD1-CD1 3.57Å; F1150-Y1185 HydrophobicContact CD1-CD2 4.37Å; F1150-Y1185 HydrophobicContact CD1-CE1 4.11Å; F1150-Y1185 AromaticContact CD1-CG 3.72Å; F1150-Y1185 HydrophobicContact CD1-CG 3.72Å; F1150-Y1185 HydrophobicContact CD2-CD1 4.05Å; F1150-Y1185 HydrophobicContact CD2-CG 4.43Å; F1150-Y1185 AromaticContact CE1-CD1 3.47Å; F1150-Y1185 HydrophobicContact CE1-CD1 3.47Å; F1150-Y1185 VanDerWaalsContact CE1-CD1 3.47Å; F1150-Y1185 AromaticContact CE1-CE1 3.63Å; F1150-Y1185 HydrophobicContact CE1-CE1 3.63Å; F1150-Y1185 HydrophobicContact CE1-CG 4.11Å; F1150-Y1185 AromaticContact CE2-CD1 3.97Å; F1150-Y1185 HydrophobicContact CE2-CD1 3.97Å; F1150-Y1185 AromaticContact CG-CD1 3.88Å; F1150-Y1185 HydrophobicContact CG-CD1 3.88Å; F1150-Y1185 AromaticContact CG-CG 3.91Å; F1150-Y1185 HydrophobicContact CG-CG 3.91Å; F1150-Y1185 AromaticContact CZ-CD1 3.69Å; F1150-Y1185 HydrophobicContact CZ-CD1 3.69Å; F1150-Y1185 AromaticContact CZ-CE1 3.92Å; F1150-Y1185 HydrophobicContact CZ-CE1 3.92Å
1151L89.8Confident89.8Confident51 Ų5171 Ų7127%0.26734%0.336SS..  trans-107.7134.2169.9-63.9176000109N1129 P1130 T1154 P1157 E1158 W1159N1129-L1151 CarbonylContact C-O 3.45Å; N1129-L1151 WeakPolarHBondContact CA-O 3.34Å; P1130-L1151 VanDerWaalsContact CD-O 3.3Å; P1130-L1151 WeakPolarHBondContact CD-O 3.41Å; P1130-L1151 PolarHBondContact O-N 2.71Å; L1151-T1154 HydrophobicContact CB-CG2 3.92Å; L1151-P1157 HydrophobicContact CD1-CB 3.72Å; L1151-E1158 VanDerWaalsContact CD1-O 3.3Å; L1151-E1158 WeakPolarHBondContact CD1-O 3.42Å; L1151-W1159 HydrophobicContact CD1-CG 4.34Å
1152P88.1Confident90.5Very high88 Ų8867.8 Ų67.857%0.57133%0.333SS*.SBendtrans-77.7139.8-17630.6-34.4000112.1N1129 T1154N1129-P1152 WeakPolarHBondContact OD1-CA 3.17Å; P1152-T1154 PolarHBondContact O-N 3.03Å
1153K86.4Confident91.2Very high159 Ų15966 Ų6669%0.69132%0.322SS*.SBendtrans49.546.2166.6-53.6177-175171.80115.7P1127 P1128 N1129P1127-K1153 HydrophobicContact CB-CB 4.41Å; P1127-K1153 WeakPolarHBondContact CB-O 3.27Å; P1128-K1153 CarbonylContact O-C 3.42Å; P1128-K1153 WeakPolarHBondContact O-CA 3.27Å; P1128-K1153 PolarHBondContact O-N 2.87Å; P1128-K1153 VanDerWaalsContact O-N 3.14Å; N1129-K1153 PolarHBondContact OD1-N 2.9Å
1154T90.3Very high91.9Very high37 Ų3762.8 Ų62.823%0.22731%0.313CS..  trans-131.3143.8176.9-175.50000113.2P1128 P1130 L1151 P1152 N1156 P1157P1128-T1154 WeakPolarHBondContact CG-O 3.38Å; P1128-T1154 PolarHBondContact O-N 3.07Å; P1130-T1154 VanDerWaalsContact CD-O 3.22Å; P1130-T1154 WeakPolarHBondContact CD-O 3.41Å; P1130-T1154 HydrophobicContact CG-CG2 3.83Å; P1130-T1154 WeakPolarHBondContact CG-O 3.2Å; L1151-T1154 HydrophobicContact CB-CG2 3.92Å; P1152-T1154 PolarHBondContact O-N 3.03Å; T1154-N1156 VanDerWaalsContact OG1-C 3.26Å; T1154-N1156 PolarHBondContact OG1-N 3.48Å; T1154-N1156 PolarHBondContact OG1-O 3.19Å; T1154-N1156 VanDerWaalsContact OG1-O 3.12Å; T1154-P1157 HydrophobicContact CG2-CB 3.88Å
1155I90.5Very high92.1Very high37 Ų3761.6 Ų61.619%0.1931%0.306CS..SBendtrans-95.6-14.6166.959173.6000112.8E1117 L1118 R1120 P1128 P1157E1117-I1155 PolarHBondContact N-O 2.88Å; L1118-I1155 WeakPolarHBondContact CB-O 3.47Å; L1118-I1155 WeakPolarHBondContact CG-O 3.49Å; L1118-I1155 PolarHBondContact N-O 3.44Å; R1120-I1155 HydrophobicContact CG-CG2 3.86Å; P1128-I1155 HydrophobicContact CG-CG2 4.35Å; I1155-P1157 WeakPolarHBondContact O-CD 3.37Å
1156N92.8Very high92.1Very high91 Ų9166.3 Ų66.349%0.48733%0.327SS..SBendtrans-121.271.8178.7-64.4-20000108.5A1115 E1117 T1154A1115-N1156 CarbonylContact O-C 3.57Å; A1115-N1156 WeakPolarHBondContact O-CA 3.37Å; E1117-N1156 PolarHBondContact N-OD1 3.38Å; T1154-N1156 VanDerWaalsContact OG1-C 3.26Å; T1154-N1156 PolarHBondContact OG1-N 3.48Å; T1154-N1156 PolarHBondContact OG1-O 3.19Å; T1154-N1156 VanDerWaalsContact OG1-O 3.12Å
1157P93Very high91.9Very high3 Ų369.4 Ų69.42%0.01935%0.349CS..  trans-73.8138.8177.428.7-35.2000112.6G1114 A1115 L1118 P1130 L1151 T1154 I1155 W1159G1114-P1157 CarbonylContact C-O 3.42Å; G1114-P1157 WeakPolarHBondContact CA-O 3.48Å; A1115-P1157 HydrophobicContact CB-CG 3.88Å; A1115-P1157 PolarHBondContact N-O 2.93Å; A1115-P1157 VanDerWaalsContact O-CD 3.29Å; A1115-P1157 WeakPolarHBondContact O-CD 3.45Å; L1118-P1157 HydrophobicContact CD1-CG 3.65Å; P1130-P1157 HydrophobicContact CB-CB 4.49Å; P1130-P1157 HydrophobicContact CB-CG 4.09Å; P1130-P1157 HydrophobicContact CG-CB 3.68Å; P1130-P1157 HydrophobicContact CG-CG 3.61Å; L1151-P1157 HydrophobicContact CD1-CB 3.72Å; T1154-P1157 HydrophobicContact CG2-CB 3.88Å; I1155-P1157 WeakPolarHBondContact O-CD 3.37Å; P1157-W1159 HydrophobicContact CB-CD2 4.15Å; P1157-W1159 HydrophobicContact CB-CE3 4.3Å; P1157-W1159 HydrophobicContact CB-CH2 3.82Å; P1157-W1159 HydrophobicContact CB-CZ2 3.63Å; P1157-W1159 HydrophobicContact CB-CZ3 4.14Å; P1157-W1159 HydrophobicContact CG-CE3 4.33Å; P1157-W1159 HydrophobicContact CG-CH2 3.26Å; P1157-W1159 HydrophobicContact CG-CZ2 3.54Å; P1157-W1159 HydrophobicContact CG-CZ3 3.7Å
1158E95.3Very high91.7Very high132 Ų13267.6 Ų67.662%0.61734%0.343SS*.EExtended strand (participates in β ladder)trans-120.1105.2169.2-170.2-177.7165.900108.2V1113 L1151 N1160V1113-E1158 CarbonylContact O-C 3.13Å; L1151-E1158 VanDerWaalsContact CD1-O 3.3Å; L1151-E1158 WeakPolarHBondContact CD1-O 3.42Å; E1158-N1160 PolarHBondContact OE1-ND2 2.99Å
1159W95.6Very high91.3Very high11 Ų1170.5 Ų70.54%0.04236%0.361CS..EExtended strand (participates in β ladder)trans-91.7-33.8-174.2-67.8-75.5000113.3L1095 I1112 V1113 A1115 P1130 V1132 T1148 K1149 L1151 P1157 Q1161 V1182L1095-W1159 HydrophobicContact CD1-CH2 4.47Å; L1095-W1159 HydrophobicContact CD1-CZ3 3.82Å; I1112-W1159 HydrophobicContact CG2-CD2 4.32Å; I1112-W1159 HydrophobicContact CG2-CE3 3.72Å; I1112-W1159 HydrophobicContact CG2-CZ3 4.29Å; V1113-W1159 PolarHBondContact O-N 2.91Å; A1115-W1159 HydrophobicContact CB-CH2 4.03Å; A1115-W1159 HydrophobicContact CB-CZ3 3.83Å; P1130-W1159 HydrophobicContact CB-CH2 4.42Å; P1130-W1159 HydrophobicContact CB-CZ2 3.89Å; P1130-W1159 HydrophobicContact CG-CZ2 4.34Å; P1130-W1159 PolarHBondContact O-NE1 3.08Å; V1132-W1159 HydrophobicContact CG2-CD2 4.22Å; V1132-W1159 HydrophobicContact CG2-CE3 3.9Å; V1132-W1159 HydrophobicContact CG2-CH2 3.31Å; V1132-W1159 HydrophobicContact CG2-CZ2 3.67Å; V1132-W1159 HydrophobicContact CG2-CZ3 3.44Å; V1132-W1159 VanDerWaalsContact CG2-CZ3 3.44Å; T1148-W1159 HydrophobicContact CG2-CB 4.02Å; T1148-W1159 HydrophobicContact CG2-CD2 4.44Å; T1148-W1159 HydrophobicContact CG2-CG 3.96Å; T1148-W1159 PolarHBondContact OG1-NE1 3.46Å; K1149-W1159 PolarHBondContact O-NE1 2.92Å; L1151-W1159 HydrophobicContact CD1-CG 4.34Å; P1157-W1159 HydrophobicContact CB-CD2 4.15Å; P1157-W1159 HydrophobicContact CB-CE3 4.3Å; P1157-W1159 HydrophobicContact CB-CH2 3.82Å; P1157-W1159 HydrophobicContact CB-CZ2 3.63Å; P1157-W1159 HydrophobicContact CB-CZ3 4.14Å; P1157-W1159 HydrophobicContact CG-CE3 4.33Å; P1157-W1159 HydrophobicContact CG-CH2 3.26Å; P1157-W1159 HydrophobicContact CG-CZ2 3.54Å; P1157-W1159 HydrophobicContact CG-CZ3 3.7Å; W1159-Q1161 HydrophobicContact CB-CB 4.36Å; W1159-Q1161 WeakPolarHBondContact O-CG 3.49Å; W1159-Q1161 PolarHBondContact O-N 3.4Å; W1159-Q1161 VanDerWaalsContact O-N 3.12Å; W1159-Q1161 PolarHBondContact O-NE2 3.41Å; W1159-V1182 HydrophobicContact CH2-CG1 4.2Å
1160N94.2Very high90.8Very high85 Ų8567.8 Ų67.846%0.45535%0.353SS..EExtended strand (participates in β ladder)trans39.746.8-173.1-69.8-34.7000113.7I1112 V1113 E1158I1112-N1160 WeakPolarHBondContact O-CA 3.41Å; I1112-N1160 PolarHBondContact O-N 2.99Å; I1112-N1160 VanDerWaalsContact O-N 3.17Å; V1113-N1160 PolarHBondContact O-N 2.98Å; E1158-N1160 PolarHBondContact OE1-ND2 2.99Å
1161Q94.5Very high90.4Very high49 Ų4970.8 Ų70.823%0.22937%0.368CS..EExtended strand (participates in β ladder)trans-115.4117.6-172-92.3157.280.400111.6I1112 T1148 W1159I1112-Q1161 PolarHBondContact N-O 3.39Å; I1112-Q1161 PolarHBondContact O-N 2.79Å; T1148-Q1161 HydrophobicContact CG2-CB 3.91Å; W1159-Q1161 HydrophobicContact CB-CB 4.36Å; W1159-Q1161 WeakPolarHBondContact O-CG 3.49Å; W1159-Q1161 PolarHBondContact O-N 3.4Å; W1159-Q1161 VanDerWaalsContact O-N 3.12Å; W1159-Q1161 PolarHBondContact O-NE2 3.41Å
1162T93.9Very high90.2Very high79 Ų7972.5 Ų72.549%0.48538%0.376SS..EExtended strand (participates in β ladder)trans-88.9129.2174.1-48.90000111.1F1109 V1110 T1111F1109-T1162 HydrophobicContact CB-CG2 3.97Å; F1109-T1162 HydrophobicContact CD1-CG2 4.03Å; V1110-T1162 WeakPolarHBondContact O-CA 3.36Å; T1111-T1162 WeakPolarHBondContact OG1-CG2 3.18Å; T1111-T1162 PolarHBondContact OG1-OG1 3.03Å
1163V93.5Very high90Very high15 Ų1568.5 Ų68.59%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-114.9140.9172.4-55.90000109.9V1110 R1146 Y1165V1110-V1163 HydrophobicContact CB-CG2 3.94Å; V1110-V1163 PolarHBondContact N-O 2.91Å; V1110-V1163 PolarHBondContact O-N 3.3Å; R1146-V1163 HydrophobicContact CB-CB 3.8Å; R1146-V1163 HydrophobicContact CB-CG1 3.97Å; R1146-V1163 HydrophobicContact CB-CG2 3.8Å; R1146-V1163 HydrophobicContact CG-CB 3.87Å; R1146-V1163 HydrophobicContact CG-CG2 3.98Å; V1163-Y1165 HydrophobicContact CG2-CE2 4.4Å
1164A92.8Very high89.8Confident36 Ų3663.9 Ų63.930%0.29834%0.337SS..EExtended strand (participates in β ladder)trans-113.8141.3-174.900000112.9T1107 L1108 F1109 R1146T1107-A1164 HydrophobicContact CG2-CB 4.17Å; L1108-A1164 WeakPolarHBondContact O-CA 3.39Å; F1109-A1164 HydrophobicContact CD1-CB 4.15Å; F1109-A1164 HydrophobicContact CE1-CB 4.19Å; R1146-A1164 PolarHBondContact NE-O 3.42Å; R1146-A1164 PolarHBondContact NH2-O 3.06Å
1165Y92.7Very high89.6Confident5 Ų565.7 Ų65.72%0.0236%0.356CS..EExtended strand (participates in β ladder)trans-122121.9170.3-62.2-77.8000109T1107 L1108 V1110 V1134 L1136 N1144 R1146 V1163 L1168 L1178T1107-Y1165 CarbonylContact C-O 3.48Å; T1107-Y1165 WeakPolarHBondContact CA-O 3.4Å; L1108-Y1165 HydrophobicContact CD2-CD2 4.39Å; L1108-Y1165 PolarHBondContact N-O 2.91Å; L1108-Y1165 PolarHBondContact O-N 3.18Å; V1110-Y1165 HydrophobicContact CG2-CD2 4.39Å; V1110-Y1165 HydrophobicContact CG2-CE2 4.3Å; V1134-Y1165 HydrophobicContact CG1-CE2 4.42Å; V1134-Y1165 PolarHBondContact O-OH 2.86Å; V1134-Y1165 VanDerWaalsContact O-OH 3.06Å; L1136-Y1165 HydrophobicContact CB-CD1 4.12Å; L1136-Y1165 HydrophobicContact CB-CE1 3.92Å; L1136-Y1165 HydrophobicContact CB-CE2 4.38Å; L1136-Y1165 HydrophobicContact CB-CG 4.44Å; L1136-Y1165 HydrophobicContact CD2-CD1 4.13Å; L1136-Y1165 HydrophobicContact CD2-CG 4.01Å; N1144-Y1165 WeakPolarHBondContact O-CE1 3.46Å; N1144-Y1165 PolarHBondContact O-OH 3.46Å; R1146-Y1165 HydrophobicContact CG-CD1 4.44Å; R1146-Y1165 HydrophobicContact CG-CE1 3.61Å; R1146-Y1165 HydrophobicContact CG-CE2 4.19Å; R1146-Y1165 VanDerWaalsContact CG-CZ 3.49Å; R1146-Y1165 WeakPolarHBondContact CG-OH 3.28Å; V1163-Y1165 HydrophobicContact CG2-CE2 4.4Å; Y1165-L1168 WeakPolarHBondContact O-CD1 3.35Å; Y1165-L1178 HydrophobicContact CE2-CD2 4.13Å
1166K90.7Very high89.5Confident143 Ų14365.4 Ų65.462%0.62235%0.353SS*.  trans-96.6173.9179.9-61.7-172.4174.8-172.60111.1G1106 T1107 L1168G1106-K1166 CarbonylContact O-C 3.45Å; T1107-K1166 HydrophobicContact CG2-CG 4.32Å; K1166-L1168 WeakPolarHBondContact O-CG 3.36Å
1167D87.3Confident89.4Confident142 Ų14261.3 Ų61.376%0.75933%0.332SS*.SBendtrans64.646.9171.3-42.4-43.7000112.9G1106G1106-D1167 PolarHBondContact O-N 3.3Å
1168L86.9Confident89.5Confident10 Ų1061.1 Ų61.15%0.05233%0.331CS..  trans-123.1122.3-177.4-53.1173.3000110.9F1101 G1106 L1108 L1136 Y1165 K1166 L1173 K1176F1101-L1168 HydrophobicContact CE2-CB 4.16Å; F1101-L1168 WeakPolarHBondContact CE2-O 3.35Å; F1101-L1168 WeakPolarHBondContact CZ-O 3.35Å; G1106-L1168 CarbonylContact C-O 3.53Å; G1106-L1168 WeakPolarHBondContact CA-O 3.42Å; G1106-L1168 WeakPolarHBondContact O-CB 3.39Å; G1106-L1168 PolarHBondContact O-N 2.91Å; L1108-L1168 HydrophobicContact CB-CD1 3.43Å; L1108-L1168 VanDerWaalsContact CB-CD1 3.43Å; L1108-L1168 HydrophobicContact CD2-CD1 4.37Å; L1136-L1168 HydrophobicContact CD2-CD1 4.12Å; L1136-L1168 HydrophobicContact CD2-CD2 3.82Å; Y1165-L1168 WeakPolarHBondContact O-CD1 3.35Å; K1166-L1168 WeakPolarHBondContact O-CG 3.36Å; L1168-L1173 HydrophobicContact CB-CD2 4.49Å; L1168-L1173 HydrophobicContact CB-CG 4.48Å; L1168-L1173 HydrophobicContact CD1-CD2 4.09Å; L1168-K1176 HydrophobicContact CD2-CD 4.5Å
1169T86Confident89.4Confident63 Ų6355.5 Ų55.539%0.38730%0.304SS..  trans-85.4161.2162.770.30000110.6E1171 M1172 L1173T1169-E1171 VanDerWaalsContact C-N 3.31Å; T1169-E1171 PolarHBondContact O-N 3.32Å; T1169-M1172 HydrophobicContact CG2-SD 4.15Å; T1169-M1172 CarbonylContact O-C 3.59Å; T1169-M1172 WeakPolarHBondContact O-CB 3.25Å; T1169-M1172 PolarHBondContact O-N 3.49Å; T1169-M1172 VanDerWaalsContact O-N 3.15Å; T1169-M1172 WeakPolarHBondContact OG1-CB 3.32Å; T1169-M1172 VanDerWaalsContact OG1-CG 3.23Å; T1169-M1172 WeakPolarHBondContact OG1-CG 3.38Å; T1169-M1172 PolarHBondContact OG1-N 3.04Å; T1169-M1172 VanDerWaalsContact OG1-N 3.1Å; T1169-L1173 PolarHBondContact O-N 3.45Å; T1169-L1173 VanDerWaalsContact O-N 3.08Å
1170I81.7Confident89.4Confident99 Ų9955.1 Ų55.151%0.50830%0.303SS..SBendtrans-61.7-38.9175.6-171.761.3000112.1F1101 M1172 L1173 S1174 F1207F1101-I1170 HydrophobicContact CD1-CD1 4.08Å; F1101-I1170 HydrophobicContact CE1-CB 4.12Å; F1101-I1170 HydrophobicContact CE1-CD1 4.12Å; I1170-M1172 VanDerWaalsContact C-N 3.33Å; I1170-M1172 PolarHBondContact O-N 3.43Å; I1170-L1173 HydrophobicContact CD1-CD1 4.29Å; I1170-L1173 WeakPolarHBondContact O-CB 3.41Å; I1170-L1173 PolarHBondContact O-N 3.43Å; I1170-S1174 PolarHBondContact O-N 3.12Å; I1170-F1207 HydrophobicContact CD1-CZ 4.02Å
1171E82.7Confident89.4Confident152 Ų15251.6 Ų51.671%0.7129%0.285SS*.Hα-helixtrans-58.4-45.5171.9-58.5170.6172.900111.2T1169 L1173 S1174T1169-E1171 VanDerWaalsContact C-N 3.31Å; T1169-E1171 PolarHBondContact O-N 3.32Å; E1171-L1173 PolarHBondContact O-N 3Å; E1171-S1174 PolarHBondContact O-N 3.43Å; E1171-S1174 PolarHBondContact O-OG 2.83Å
1172M84.5Confident89.4Confident87 Ų8749.6 Ų49.643%0.42928%0.276SS..Hα-helixtrans-70.3-10.4177.2-74.4171.357.900113.4T1169 I1170 K1176T1169-M1172 HydrophobicContact CG2-SD 4.15Å; T1169-M1172 CarbonylContact O-C 3.59Å; T1169-M1172 WeakPolarHBondContact O-CB 3.25Å; T1169-M1172 PolarHBondContact O-N 3.49Å; T1169-M1172 VanDerWaalsContact O-N 3.15Å; T1169-M1172 WeakPolarHBondContact OG1-CB 3.32Å; T1169-M1172 VanDerWaalsContact OG1-CG 3.23Å; T1169-M1172 WeakPolarHBondContact OG1-CG 3.38Å; T1169-M1172 PolarHBondContact OG1-N 3.04Å; T1169-M1172 VanDerWaalsContact OG1-N 3.1Å; I1170-M1172 VanDerWaalsContact C-N 3.33Å; I1170-M1172 PolarHBondContact O-N 3.43Å; M1172-K1176 WeakPolarHBondContact O-CD 3.4Å; M1172-K1176 WeakPolarHBondContact O-CE 3.17Å; M1172-K1176 WeakPolarHBondContact O-CG 3.34Å; M1172-K1176 PolarHBondContact O-NZ 3.16Å
1173L84.4Confident89.4Confident4 Ų447.9 Ų47.92%0.02126%0.26CS..Hα-helixtrans-86.4-38.6174.5-78.4172.3000112.3F1101 L1108 L1168 T1169 I1170 E1171 A1175 K1176 L1201F1101-L1173 HydrophobicContact CB-CD1 4.05Å; F1101-L1173 HydrophobicContact CD1-CD1 3.57Å; F1101-L1173 HydrophobicContact CD2-CD1 3.46Å; F1101-L1173 VanDerWaalsContact CD2-CD1 3.46Å; F1101-L1173 HydrophobicContact CE1-CD1 3.77Å; F1101-L1173 HydrophobicContact CE2-CD1 3.66Å; F1101-L1173 HydrophobicContact CG-CD1 3.4Å; F1101-L1173 HydrophobicContact CZ-CD1 3.81Å; L1108-L1173 HydrophobicContact CD1-CD2 4.19Å; L1108-L1173 HydrophobicContact CD2-CD2 4.02Å; L1108-L1173 HydrophobicContact CG-CD2 4.49Å; L1168-L1173 HydrophobicContact CB-CD2 4.49Å; L1168-L1173 HydrophobicContact CB-CG 4.48Å; L1168-L1173 HydrophobicContact CD1-CD2 4.09Å; T1169-L1173 PolarHBondContact O-N 3.45Å; T1169-L1173 VanDerWaalsContact O-N 3.08Å; I1170-L1173 HydrophobicContact CD1-CD1 4.29Å; I1170-L1173 WeakPolarHBondContact O-CB 3.41Å; I1170-L1173 PolarHBondContact O-N 3.43Å; E1171-L1173 PolarHBondContact O-N 3Å; L1173-A1175 PolarHBondContact O-N 2.68Å; L1173-A1175 VanDerWaalsContact O-N 3.15Å; L1173-K1176 WeakPolarHBondContact O-CB 3.42Å; L1173-K1176 PolarHBondContact O-N 3.04Å; L1173-L1201 HydrophobicContact CD2-CD1 3.86Å; L1173-L1201 WeakPolarHBondContact O-CB 3.36Å
1174S82.5Confident89.3Confident62 Ų6247.3 Ų47.343%0.43426%0.257SS..Hα-helixtrans-57.3-35.2-177.669.50000112.5I1170 E1171 K1176 Q1200 S1202I1170-S1174 PolarHBondContact O-N 3.12Å; E1171-S1174 PolarHBondContact O-N 3.43Å; E1171-S1174 PolarHBondContact O-OG 2.83Å; S1174-K1176 VanDerWaalsContact C-N 3.29Å; S1174-K1176 PolarHBondContact O-N 3.33Å; S1174-Q1200 PolarHBondContact O-NE2 3.13Å; S1174-S1202 WeakPolarHBondContact O-CB 3.45Å
1175A85.9Confident89.1Confident75 Ų7548.1 Ų48.162%0.6225%0.253SS*.THydrogen-bonded Turntrans-81.710176.200000115.1L1173L1173-A1175 PolarHBondContact O-N 2.68Å; L1173-A1175 VanDerWaalsContact O-N 3.15Å
1176K88.9Confident88.6Confident30 Ų3050.6 Ų50.613%0.1327%0.265CS..  trans-121.5161.5-174.2-67.7-178.6-174.7149.60113.6L1136 L1137 L1168 M1172 L1173 S1174 Q1200 L1201L1136-K1176 HydrophobicContact CD1-CB 4.12Å; L1136-K1176 HydrophobicContact CD1-CD 3.99Å; L1136-K1176 HydrophobicContact CD2-CD 4.19Å; L1136-K1176 HydrophobicContact CG-CD 4.06Å; L1137-K1176 WeakPolarHBondContact O-CB 3.41Å; L1137-K1176 VanDerWaalsContact O-CG 3.29Å; L1137-K1176 WeakPolarHBondContact O-CG 3.5Å; L1168-K1176 HydrophobicContact CD2-CD 4.5Å; M1172-K1176 WeakPolarHBondContact O-CD 3.4Å; M1172-K1176 WeakPolarHBondContact O-CE 3.17Å; M1172-K1176 WeakPolarHBondContact O-CG 3.34Å; M1172-K1176 PolarHBondContact O-NZ 3.16Å; L1173-K1176 WeakPolarHBondContact O-CB 3.42Å; L1173-K1176 PolarHBondContact O-N 3.04Å; S1174-K1176 VanDerWaalsContact C-N 3.29Å; S1174-K1176 PolarHBondContact O-N 3.33Å; K1176-Q1200 PolarHBondContact O-NE2 2.76Å; K1176-Q1200 VanDerWaalsContact O-NE2 3.15Å; K1176-L1201 HydrophobicContact CB-CD1 4.34Å; K1176-L1201 WeakPolarHBondContact O-CB 3.29Å; K1176-L1201 PolarHBondContact O-N 3.24Å
1177A90.5Very high87.9Confident5 Ų551.3 Ų51.34%0.04126%0.263CS..EExtended strand (participates in β ladder)trans-138.7153.9175.100000110.8L1137 V1198 V1199L1137-A1177 HydrophobicContact CB-CB 4.23Å; L1137-A1177 WeakPolarHBondContact CB-O 3.44Å; L1137-A1177 HydrophobicContact CD1-CB 4.36Å; L1137-A1177 PolarHBondContact N-O 3.24Å; A1177-V1198 HydrophobicContact CB-CG1 4.12Å; A1177-V1199 CarbonylContact C-O 3.52Å; A1177-V1199 WeakPolarHBondContact CA-O 3.37Å; A1177-V1199 WeakPolarHBondContact CB-O 3.41Å
1178L94.3Very high87.2Confident0 Ų051.1 Ų51.10%026%0.256CS..EExtended strand (participates in β ladder)trans-99.2118.5169.2-64.4172.2000109V1099 L1108 V1110 V1134 L1136 Y1165 F1180 V1198 V1199 L1201V1099-L1178 HydrophobicContact CG1-CD1 4.23Å; V1099-L1178 HydrophobicContact CG2-CD1 3.8Å; L1108-L1178 HydrophobicContact CD2-CD2 4.18Å; V1110-L1178 HydrophobicContact CG1-CD1 4.09Å; V1110-L1178 HydrophobicContact CG2-CD1 3.55Å; V1110-L1178 HydrophobicContact CG2-CD2 4.05Å; V1110-L1178 HydrophobicContact CG2-CG 4.48Å; V1134-L1178 HydrophobicContact CG1-CB 4.44Å; V1134-L1178 HydrophobicContact CG1-CD2 4.05Å; L1136-L1178 HydrophobicContact CD1-CD2 3.87Å; Y1165-L1178 HydrophobicContact CE2-CD2 4.13Å; L1178-F1180 HydrophobicContact CB-CD2 4.19Å; L1178-F1180 HydrophobicContact CB-CE2 3.52Å; L1178-F1180 HydrophobicContact CB-CZ 4.01Å; L1178-F1180 HydrophobicContact CD1-CE2 4.2Å; L1178-F1180 HydrophobicContact CD1-CZ 3.97Å; L1178-V1198 WeakPolarHBondContact O-CA 3.41Å; L1178-V1199 PolarHBondContact N-O 3.45Å; L1178-V1199 PolarHBondContact O-N 2.97Å; L1178-L1201 HydrophobicContact CD1-CD2 4.06Å; L1178-L1201 HydrophobicContact CG-CD1 4.21Å; L1178-L1201 HydrophobicContact CG-CD2 4.2Å; L1178-L1201 HydrophobicContact CG-CG 4.5Å
1179E94.8Very high86.5Confident13 Ų1358.9 Ų58.96%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-97.7110.9169.2174.5168.2-107.900109.7V1134 Y1135 L1137 R1140 T1181 R1196 V1198V1134-E1179 CarbonylContact C-O 3.6Å; V1134-E1179 WeakPolarHBondContact CA-O 3.32Å; Y1135-E1179 PolarHBondContact N-O 3.02Å; Y1135-E1179 PolarHBondContact O-N 2.77Å; L1137-E1179 HydrophobicContact CD1-CB 3.88Å; L1137-E1179 HydrophobicContact CD2-CB 4.32Å; L1137-E1179 HydrophobicContact CG-CB 4.03Å; R1140-E1179 IonicContact CZ-OE2 2.85Å; R1140-E1179 IonicContact NE-OE2 3.2Å; R1140-E1179 PolarHBondContact NE-OE2 2.84Å; R1140-E1179 IonicContact NH2-OE1 2.78Å; R1140-E1179 PolarHBondContact NH2-OE1 3.16Å; R1140-E1179 IonicContact NH2-OE2 3.85Å; R1140-E1179 PolarHBondContact NH2-OE2 2.79Å; E1179-T1181 HydrophobicContact CG-CG2 4.27Å; E1179-R1196 HydrophobicContact CG-CG 4.31Å; E1179-R1196 WeakPolarHBondContact OE1-CD 3.36Å; E1179-R1196 IonicContact OE1-CZ 3.39Å; E1179-R1196 IonicContact OE1-NH1 2.93Å; E1179-R1196 PolarHBondContact OE1-NH1 2.76Å; E1179-V1198 HydrophobicContact CB-CG2 4.22Å; E1179-V1198 HydrophobicContact CG-CG2 4.11Å
1180F95Very high85.9Confident4 Ų462.8 Ų62.82%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-94.2130.8174.2-59.3-98.7000109.1L1095 A1097 V1110 I1112 V1132 K1133 V1134 L1178 R1196 A1197 V1199L1095-F1180 HydrophobicContact CD2-CB 3.68Å; L1095-F1180 HydrophobicContact CD2-CD1 4.31Å; L1095-F1180 HydrophobicContact CD2-CG 4.18Å; A1097-F1180 HydrophobicContact CB-CE1 3.88Å; A1097-F1180 HydrophobicContact CB-CZ 3.9Å; V1110-F1180 HydrophobicContact CG1-CE1 3.66Å; V1110-F1180 HydrophobicContact CG1-CZ 3.7Å; I1112-F1180 HydrophobicContact CG1-CE1 4.31Å; V1132-F1180 HydrophobicContact CG1-CB 4.29Å; V1132-F1180 HydrophobicContact CG1-CD1 4.2Å; K1133-F1180 CarbonylContact O-C 3.53Å; K1133-F1180 WeakPolarHBondContact O-CA 3.41Å; V1134-F1180 HydrophobicContact CG1-CD1 4.32Å; V1134-F1180 HydrophobicContact CG1-CE1 4.22Å; V1134-F1180 HydrophobicContact CG2-CD1 3.55Å; V1134-F1180 HydrophobicContact CG2-CE1 3.81Å; V1134-F1180 HydrophobicContact CG2-CG 4.41Å; L1178-F1180 HydrophobicContact CB-CD2 4.19Å; L1178-F1180 HydrophobicContact CB-CE2 3.52Å; L1178-F1180 HydrophobicContact CB-CZ 4.01Å; L1178-F1180 HydrophobicContact CD1-CE2 4.2Å; L1178-F1180 HydrophobicContact CD1-CZ 3.97Å; F1180-R1196 CarbonylContact O-C 3.55Å; F1180-R1196 VanDerWaalsContact O-CA 3.26Å; F1180-R1196 WeakPolarHBondContact O-CA 3.44Å; F1180-R1196 WeakPolarHBondContact O-CG 3.38Å; F1180-A1197 HydrophobicContact CB-CB 4.46Å; F1180-A1197 PolarHBondContact N-O 3.18Å; F1180-A1197 PolarHBondContact O-N 2.77Å; F1180-A1197 VanDerWaalsContact O-O 3.12Å; F1180-V1199 HydrophobicContact CD2-CG2 4.24Å; F1180-V1199 HydrophobicContact CE2-CB 4.32Å; F1180-V1199 HydrophobicContact CE2-CG2 3.85Å
1181T94.1Very high86.1Confident11 Ų1160 Ų607%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-130127.717253.80000110.2V1132 K1133 E1179 W1183 F1193 G1195 R1196V1132-T1181 CarbonylContact C-O 3.54Å; V1132-T1181 WeakPolarHBondContact CA-O 3.41Å; K1133-T1181 PolarHBondContact N-O 3.34Å; K1133-T1181 PolarHBondContact O-N 3.07Å; K1133-T1181 PolarHBondContact O-OG1 2.9Å; E1179-T1181 HydrophobicContact CG-CG2 4.27Å; T1181-W1183 VanDerWaalsContact CB-NE1 3.29Å; T1181-W1183 VanDerWaalsContact O-CD1 3.25Å; T1181-W1183 PolarHBondContact OG1-NE1 2.85Å; T1181-F1193 HydrophobicContact CG2-CE2 4.29Å; T1181-G1195 CarbonylContact C-O 3.55Å; T1181-G1195 WeakPolarHBondContact CA-O 3.34Å; T1181-R1196 HydrophobicContact CG2-CB 4.04Å; T1181-R1196 HydrophobicContact CG2-CG 3.73Å
1182V94.8Very high86.3Confident6 Ų655.5 Ų55.54%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-97.1135-179.9-165.50000109.2L1095 L1118 P1130 F1131 V1132 W1159 L1194 G1195L1095-V1182 HydrophobicContact CD1-CG2 4.33Å; L1095-V1182 HydrophobicContact CD2-CG2 3.91Å; L1118-V1182 HydrophobicContact CD1-CG1 3.94Å; L1118-V1182 HydrophobicContact CD2-CG1 4.14Å; P1130-V1182 HydrophobicContact CB-CG1 4.36Å; F1131-V1182 WeakPolarHBondContact O-CA 3.41Å; V1132-V1182 HydrophobicContact CG2-CG2 4.36Å; W1159-V1182 HydrophobicContact CH2-CG1 4.2Å; V1182-L1194 HydrophobicContact CB-CB 4.23Å; V1182-L1194 HydrophobicContact CG1-CB 4.23Å; V1182-L1194 HydrophobicContact CG1-CD1 4.24Å; V1182-L1194 PolarHBondContact O-N 3.33Å; V1182-G1195 PolarHBondContact N-O 3.11Å; V1182-G1195 PolarHBondContact O-N 3.34Å
1183W93.8Very high86.6Confident43 Ų4356.5 Ų56.516%0.16327%0.267CS..EExtended strand (participates in β ladder)trans-139138.3-173.9-62.182.8000110.8P1130 F1131 T1181 N1191 I1192 F1193P1130-W1183 CarbonylContact C-O 3.59Å; P1130-W1183 VanDerWaalsContact CA-O 3.27Å; P1130-W1183 WeakPolarHBondContact CA-O 3.48Å; F1131-W1183 HydrophobicContact CD1-CB 3.94Å; F1131-W1183 WeakPolarHBondContact CD1-O 3.28Å; F1131-W1183 HydrophobicContact CE1-CB 3.52Å; F1131-W1183 HydrophobicContact CE1-CG 4.5Å; F1131-W1183 HydrophobicContact CE2-CB 4.35Å; F1131-W1183 HydrophobicContact CZ-CB 3.76Å; F1131-W1183 HydrophobicContact CZ-CG 4.28Å; F1131-W1183 PolarHBondContact N-O 2.79Å; F1131-W1183 PolarHBondContact O-N 3.34Å; T1181-W1183 VanDerWaalsContact CB-NE1 3.29Å; T1181-W1183 VanDerWaalsContact O-CD1 3.25Å; T1181-W1183 PolarHBondContact OG1-NE1 2.85Å; W1183-N1191 HydrophobicContact CB-CB 4.47Å; W1183-N1191 HydrophobicContact CE3-CB 4.07Å; W1183-N1191 VanDerWaalsContact CE3-O 3.28Å; W1183-N1191 WeakPolarHBondContact CZ3-O 3.23Å; W1183-I1192 CarbonylContact C-O 3.56Å; W1183-I1192 VanDerWaalsContact CA-O 3.27Å; W1183-I1192 WeakPolarHBondContact CA-O 3.41Å; W1183-F1193 HydrophobicContact CD2-CD2 4.39Å; W1183-F1193 HydrophobicContact CE3-CB 4Å; W1183-F1193 HydrophobicContact CH2-CB 4.15Å; W1183-F1193 HydrophobicContact CH2-CD2 4.19Å; W1183-F1193 AromaticContact CZ2-CD2 3.94Å; W1183-F1193 HydrophobicContact CZ2-CD2 3.94Å; W1183-F1193 HydrophobicContact CZ3-CB 3.8Å
1184S90.2Very high86.9Confident3 Ų357.3 Ų57.32%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-78.7125.1163.7-173.80000109.7N1129 N1191 I1192N1129-S1184 PolarHBondContact N-OG 2.95Å; S1184-N1191 CarbonylContact O-C 3.59Å; S1184-N1191 WeakPolarHBondContact O-CA 3.41Å; S1184-N1191 WeakPolarHBondContact O-CB 3.48Å; S1184-I1192 PolarHBondContact N-O 3.5Å; S1184-I1192 PolarHBondContact O-N 3.18Å
1185Y89.9Confident87.2Confident53 Ų5355.5 Ų55.521%0.20826%0.262CS..  trans-71.5128.6172.3-178.4-108.3000111.5N1129 F1131 F1150 R1187 N1191N1129-Y1185 WeakPolarHBondContact CB-O 3.34Å; N1129-Y1185 PolarHBondContact ND2-O 2.82Å; N1129-Y1185 PolarHBondContact O-N 3.17Å; F1131-Y1185 HydrophobicContact CE1-CD2 4.41Å; F1150-Y1185 HydrophobicContact CB-CG 4.35Å; F1150-Y1185 AromaticContact CD1-CD1 3.57Å; F1150-Y1185 HydrophobicContact CD1-CD1 3.57Å; F1150-Y1185 HydrophobicContact CD1-CD2 4.37Å; F1150-Y1185 HydrophobicContact CD1-CE1 4.11Å; F1150-Y1185 AromaticContact CD1-CG 3.72Å; F1150-Y1185 HydrophobicContact CD1-CG 3.72Å; F1150-Y1185 HydrophobicContact CD2-CD1 4.05Å; F1150-Y1185 HydrophobicContact CD2-CG 4.43Å; F1150-Y1185 AromaticContact CE1-CD1 3.47Å; F1150-Y1185 HydrophobicContact CE1-CD1 3.47Å; F1150-Y1185 VanDerWaalsContact CE1-CD1 3.47Å; F1150-Y1185 AromaticContact CE1-CE1 3.63Å; F1150-Y1185 HydrophobicContact CE1-CE1 3.63Å; F1150-Y1185 HydrophobicContact CE1-CG 4.11Å; F1150-Y1185 AromaticContact CE2-CD1 3.97Å; F1150-Y1185 HydrophobicContact CE2-CD1 3.97Å; F1150-Y1185 AromaticContact CG-CD1 3.88Å; F1150-Y1185 HydrophobicContact CG-CD1 3.88Å; F1150-Y1185 AromaticContact CG-CG 3.91Å; F1150-Y1185 HydrophobicContact CG-CG 3.91Å; F1150-Y1185 AromaticContact CZ-CD1 3.69Å; F1150-Y1185 HydrophobicContact CZ-CD1 3.69Å; F1150-Y1185 AromaticContact CZ-CE1 3.92Å; F1150-Y1185 HydrophobicContact CZ-CE1 3.92Å; Y1185-R1187 HydrophobicContact CE1-CB 4.41Å; Y1185-N1191 WeakPolarHBondContact CA-OD1 3.22Å; Y1185-N1191 VanDerWaalsContact CD2-OD1 3.25Å; Y1185-N1191 WeakPolarHBondContact CD2-OD1 3.3Å
1186E80.7Confident87.6Confident58 Ų5859.3 Ų59.327%0.27126%0.26SS..  trans-123.2129.9172.9-72.7-66.1164.600109R1189 N1191 I1192E1186-R1189 HydrophobicContact CB-CB 4.02Å; E1186-N1191 PolarHBondContact N-OD1 3.31Å; E1186-I1192 HydrophobicContact CG-CD1 4.21Å; E1186-I1192 HydrophobicContact CG-CG1 4.31Å
1187R77.7Confident87.7Confident157 Ų15759.8 Ų59.859%0.59227%0.27SS*.SBendtrans-74.3-27.4-172.7180-177.9-76.3-120.53.3113.8Y1185Y1185-R1187 HydrophobicContact CE1-CB 4.41Å
1188F70.9Confident87.7Confident138 Ų13863 Ų6361%0.60529%0.289SS*.SBendtrans-132.220.3-169.3-52.6-69.1000112.4
1189R73.3Confident87.5Confident174 Ų17464.5 Ų64.566%0.65730%0.298SS*.SBendtrans-154.1166-176.3-63.4-171.1174.2-131.6-10.1109.5E1186E1186-R1189 HydrophobicContact CB-CB 4.02Å
1190E73.4Confident87.2Confident145 Ų14568.7 Ų68.768%0.67832%0.318SS*.PPolyproline II helixtrans-58141.4167.4-65.1-169.7-152.700111.7
1191N86.2Confident86.7Confident40 Ų4069 Ų6921%0.21432%0.319CS..PPolyproline II helixtrans-66.1133.1178.5-60-82.6000110F1131 W1183 S1184 Y1185 E1186F1131-N1191 HydrophobicContact CE1-CB 4.27Å; F1131-N1191 HydrophobicContact CZ-CB 4.39Å; W1183-N1191 HydrophobicContact CB-CB 4.47Å; W1183-N1191 HydrophobicContact CE3-CB 4.07Å; W1183-N1191 VanDerWaalsContact CE3-O 3.28Å; W1183-N1191 WeakPolarHBondContact CZ3-O 3.23Å; S1184-N1191 CarbonylContact O-C 3.59Å; S1184-N1191 WeakPolarHBondContact O-CA 3.41Å; S1184-N1191 WeakPolarHBondContact O-CB 3.48Å; Y1185-N1191 WeakPolarHBondContact CA-OD1 3.22Å; Y1185-N1191 VanDerWaalsContact CD2-OD1 3.25Å; Y1185-N1191 WeakPolarHBondContact CD2-OD1 3.3Å; E1186-N1191 PolarHBondContact N-OD1 3.31Å
1192I86.3Confident85.7Confident58 Ų5872.1 Ų72.130%0.29734%0.342SS..EExtended strand (participates in β ladder)trans-86.1125.9-174.3-56.2171.1000109.2L1121 W1183 S1184 E1186L1121-I1192 HydrophobicContact CD1-CD1 4.2Å; L1121-I1192 HydrophobicContact CD1-CG2 4.26Å; L1121-I1192 HydrophobicContact CD2-CD1 3.49Å; L1121-I1192 VanDerWaalsContact CD2-CD1 3.49Å; W1183-I1192 CarbonylContact C-O 3.56Å; W1183-I1192 VanDerWaalsContact CA-O 3.27Å; W1183-I1192 WeakPolarHBondContact CA-O 3.41Å; S1184-I1192 PolarHBondContact N-O 3.5Å; S1184-I1192 PolarHBondContact O-N 3.18Å; E1186-I1192 HydrophobicContact CG-CD1 4.21Å; E1186-I1192 HydrophobicContact CG-CG1 4.31Å
1193F90.8Very high84.1Confident108 Ų10873.6 Ų73.647%0.47436%0.358SS..EExtended strand (participates in β ladder)trans-68.1135.6176177-103.8000111.3T1181 W1183 G1195 R1196T1181-F1193 HydrophobicContact CG2-CE2 4.29Å; W1183-F1193 HydrophobicContact CD2-CD2 4.39Å; W1183-F1193 HydrophobicContact CE3-CB 4Å; W1183-F1193 HydrophobicContact CH2-CB 4.15Å; W1183-F1193 HydrophobicContact CH2-CD2 4.19Å; W1183-F1193 AromaticContact CZ2-CD2 3.94Å; W1183-F1193 HydrophobicContact CZ2-CD2 3.94Å; W1183-F1193 HydrophobicContact CZ3-CB 3.8Å; F1193-G1195 WeakPolarHBondContact CE2-O 3.43Å; F1193-G1195 WeakPolarHBondContact CZ-O 3.48Å; F1193-R1196 HydrophobicContact CE2-CB 4Å; F1193-R1196 HydrophobicContact CZ-CB 3.73Å
1194L90.2Very high82.1Confident21 Ų2180.1 Ų80.111%0.1139%0.39CS..EExtended strand (participates in β ladder)trans-117.7-27.2-178.7-61.3178.1000113.7L1118 P1128 P1130 V1182L1118-L1194 HydrophobicContact CD1-CD1 4.31Å; P1128-L1194 HydrophobicContact CB-CD1 3.9Å; P1128-L1194 HydrophobicContact CB-CD2 4.37Å; P1128-L1194 HydrophobicContact CG-CD1 4.17Å; P1130-L1194 HydrophobicContact CB-CD1 4.09Å; V1182-L1194 HydrophobicContact CB-CB 4.23Å; V1182-L1194 HydrophobicContact CG1-CB 4.23Å; V1182-L1194 HydrophobicContact CG1-CD1 4.24Å; V1182-L1194 PolarHBondContact O-N 3.33Å
1195G90.5Very high80.2Confident23 Ų2387.5 Ų87.524%0.23742%0.424CS..EExtended strand (participates in β ladder)trans173.9165.2-178.900000113.8T1181 V1182 F1193T1181-G1195 CarbonylContact C-O 3.55Å; T1181-G1195 WeakPolarHBondContact CA-O 3.34Å; V1182-G1195 PolarHBondContact N-O 3.11Å; V1182-G1195 PolarHBondContact O-N 3.34Å; F1193-G1195 WeakPolarHBondContact CE2-O 3.43Å; F1193-G1195 WeakPolarHBondContact CZ-O 3.48Å
1196R93.1Very high78.3Confident155 Ų15586 Ų8659%0.58542%0.422SS*.EExtended strand (participates in β ladder)trans-145135.2179179.717876.4107.69.5111.3E1179 F1180 T1181 F1193 V1198E1179-R1196 HydrophobicContact CG-CG 4.31Å; E1179-R1196 WeakPolarHBondContact OE1-CD 3.36Å; E1179-R1196 IonicContact OE1-CZ 3.39Å; E1179-R1196 IonicContact OE1-NH1 2.93Å; E1179-R1196 PolarHBondContact OE1-NH1 2.76Å; F1180-R1196 CarbonylContact O-C 3.55Å; F1180-R1196 VanDerWaalsContact O-CA 3.26Å; F1180-R1196 WeakPolarHBondContact O-CA 3.44Å; F1180-R1196 WeakPolarHBondContact O-CG 3.38Å; T1181-R1196 HydrophobicContact CG2-CB 4.04Å; T1181-R1196 HydrophobicContact CG2-CG 3.73Å; F1193-R1196 HydrophobicContact CE2-CB 4Å; F1193-R1196 HydrophobicContact CZ-CB 3.73Å; R1196-V1198 HydrophobicContact CG-CG2 4.49Å
1197A90.7Very high76.9Confident41 Ų4187.8 Ų87.834%0.33943%0.429SS..EExtended strand (participates in β ladder)trans-123150.9168.300000109.7F1180F1180-A1197 HydrophobicContact CB-CB 4.46Å; F1180-A1197 PolarHBondContact N-O 3.18Å; F1180-A1197 PolarHBondContact O-N 2.77Å; F1180-A1197 VanDerWaalsContact O-O 3.12Å
1198V91.8Very high75.6Confident72 Ų7283.7 Ų83.744%0.43642%0.424SS..EExtended strand (participates in β ladder)trans-132.3124.6173.7-176.10000108.3L1137 A1177 L1178 E1179 R1196L1137-V1198 HydrophobicContact CD1-CG1 4.4Å; A1177-V1198 HydrophobicContact CB-CG1 4.12Å; L1178-V1198 WeakPolarHBondContact O-CA 3.41Å; E1179-V1198 HydrophobicContact CB-CG2 4.22Å; E1179-V1198 HydrophobicContact CG-CG2 4.11Å; R1196-V1198 HydrophobicContact CG-CG2 4.49Å
1199V89.4Confident74.3Confident32 Ų3281.8 Ų81.819%0.19442%0.417CS..EExtended strand (participates in β ladder)trans-117.4118.2-176.7-176.80000108.4A1177 L1178 F1180 V1210A1177-V1199 CarbonylContact C-O 3.52Å; A1177-V1199 WeakPolarHBondContact CA-O 3.37Å; A1177-V1199 WeakPolarHBondContact CB-O 3.41Å; L1178-V1199 PolarHBondContact N-O 3.45Å; L1178-V1199 PolarHBondContact O-N 2.97Å; F1180-V1199 HydrophobicContact CD2-CG2 4.24Å; F1180-V1199 HydrophobicContact CE2-CB 4.32Å; F1180-V1199 HydrophobicContact CE2-CG2 3.85Å; V1199-V1210 HydrophobicContact CG1-CG1 4.36Å; V1199-V1210 HydrophobicContact CG1-CG2 4.4Å; V1199-V1210 HydrophobicContact CG2-CG1 4.01Å
1200Q88.8Confident73.2Confident100 Ų10075.5 Ų75.547%0.46740%0.398SS..EExtended strand (participates in β ladder)trans-80.1136.5176.5-172.269.830.700110S1174 K1176 S1202S1174-Q1200 PolarHBondContact O-NE2 3.13Å; K1176-Q1200 PolarHBondContact O-NE2 2.76Å; K1176-Q1200 VanDerWaalsContact O-NE2 3.15Å; Q1200-S1202 VanDerWaalsContact C-N 3.32Å; Q1200-S1202 WeakPolarHBondContact CG-OG 3.36Å; Q1200-S1202 PolarHBondContact O-N 3.48Å
1201L84.9Confident71.7Confident11 Ų1174.1 Ų74.16%0.05840%0.404CS..  trans-95.722.9-178.8-53.4177.8000112.5V1099 L1108 L1136 L1173 K1176 L1178 G1203V1099-L1201 HydrophobicContact CG1-CD2 4.25Å; L1108-L1201 HydrophobicContact CD2-CD1 3.84Å; L1136-L1201 HydrophobicContact CD1-CD1 4.25Å; L1173-L1201 HydrophobicContact CD2-CD1 3.86Å; L1173-L1201 WeakPolarHBondContact O-CB 3.36Å; K1176-L1201 HydrophobicContact CB-CD1 4.34Å; K1176-L1201 WeakPolarHBondContact O-CB 3.29Å; K1176-L1201 PolarHBondContact O-N 3.24Å; L1178-L1201 HydrophobicContact CD1-CD2 4.06Å; L1178-L1201 HydrophobicContact CG-CD1 4.21Å; L1178-L1201 HydrophobicContact CG-CD2 4.2Å; L1178-L1201 HydrophobicContact CG-CG 4.5Å; L1201-G1203 PolarHBondContact O-N 3.38Å
1202S72.4Confident71Confident76 Ų7675.9 Ų75.953%0.53141%0.414SS..  trans-95.522.8-168.973.40000114.7S1174 Q1200S1174-S1202 WeakPolarHBondContact O-CB 3.45Å; Q1200-S1202 VanDerWaalsContact C-N 3.32Å; Q1200-S1202 WeakPolarHBondContact CG-OG 3.36Å; Q1200-S1202 PolarHBondContact O-N 3.48Å
1203G60.5Low70.2Confident37 Ų3776.8 Ų76.838%0.38142%0.42SS..SBendtrans-132.9143.5-17600000111.9L1201 H1205 S1206L1201-G1203 PolarHBondContact O-N 3.38Å; G1203-H1205 PolarHBondContact O-N 3.17Å; G1203-H1205 VanDerWaalsContact O-N 3.14Å; G1203-S1206 VanDerWaalsContact O-CB 3.26Å; G1203-S1206 WeakPolarHBondContact O-CB 3.28Å; G1203-S1206 PolarHBondContact O-N 3.18Å; G1203-S1206 PolarHBondContact O-OG 3.15Å
1204E52.5Low69.1Low180 Ų18075.1 Ų75.184%0.84142%0.417SS*.THydrogen-bonded Turntrans-58.8-26.2176.8-59.1-178.4147.400111.9
1205H50.5Low67.8Low158 Ų15878.2 Ų78.273%0.73144%0.435SS*.THydrogen-bonded Turntrans-85.40.4175.8-48.9-43.5000114.8G1203 F1207 S1208G1203-H1205 PolarHBondContact O-N 3.17Å; G1203-H1205 VanDerWaalsContact O-N 3.14Å; H1205-F1207 PolarHBondContact O-N 2.82Å; H1205-S1208 PolarHBondContact O-N 2.96Å; H1205-S1208 VanDerWaalsContact O-N 3.11Å; H1205-S1208 PolarHBondContact O-OG 3.36Å
1206S50.3Low66.4Low22 Ų2281.7 Ų81.715%0.15445%0.448CS..THydrogen-bonded Turntrans-715.5-173.963.60000115.9G1203G1203-S1206 VanDerWaalsContact O-CB 3.26Å; G1203-S1206 WeakPolarHBondContact O-CB 3.28Å; G1203-S1206 PolarHBondContact O-N 3.18Å; G1203-S1206 PolarHBondContact O-OG 3.15Å
1207F51Low64.6Low95 Ų9576.8 Ų76.842%0.41744%0.438SS..THydrogen-bonded Turntrans-97.53.9171.1-50.8-56.9000113.4F1101 I1170 H1205F1101-F1207 HydrophobicContact CB-CD1 4.19Å; F1101-F1207 HydrophobicContact CB-CE1 3.51Å; F1101-F1207 HydrophobicContact CB-CZ 4.22Å; F1101-F1207 HydrophobicContact CG-CE1 4.49Å; I1170-F1207 HydrophobicContact CD1-CZ 4.02Å; H1205-F1207 PolarHBondContact O-N 2.82Å
1208S50.6Low62.8Low71 Ų7179.4 Ų79.450%0.49745%0.446SS..SBendtrans-74.9162.5167.869.30000111.8H1205H1205-S1208 PolarHBondContact O-N 2.96Å; H1205-S1208 VanDerWaalsContact O-N 3.11Å; H1205-S1208 PolarHBondContact O-OG 3.36Å
1209E43.3Very low60.5Low98 Ų9879.9 Ų79.946%0.45845%0.446SS..EExtended strand (participates in β ladder)trans-62139.6169.7-179.5152.2-146.300111.2Q1096 R1098Q1096-E1209 PolarHBondContact NE2-OE1 3.39Å; R1098-E1209 VanDerWaalsContact CD-OE1 3.27Å; R1098-E1209 WeakPolarHBondContact CD-OE1 3.4Å; R1098-E1209 HydrophobicContact CG-CB 3.88Å; R1098-E1209 VanDerWaalsContact CG-CD 3.47Å; R1098-E1209 HydrophobicContact CG-CG 3.55Å; R1098-E1209 VanDerWaalsContact CG-OE1 3.28Å; R1098-E1209 WeakPolarHBondContact CG-OE1 3.48Å; R1098-E1209 IonicContact NE-OE1 3.41Å; R1098-E1209 PolarHBondContact NE-OE1 3.36Å
1210V50.3Low58.1Low43 Ų4383.9 Ų83.926%0.26147%0.467SS..EExtended strand (participates in β ladder)trans-118.4110.2-177.8-173.60000108.7A1097 V1199A1097-V1210 PolarHBondContact N-O 3.5Å; A1097-V1210 CarbonylContact O-C 3.47Å; A1097-V1210 WeakPolarHBondContact O-CA 3.4Å; A1097-V1210 PolarHBondContact O-N 3.47Å; V1199-V1210 HydrophobicContact CG1-CG1 4.36Å; V1199-V1210 HydrophobicContact CG1-CG2 4.4Å; V1199-V1210 HydrophobicContact CG2-CG1 4.01Å
1211S42.4Very low55.3Low116 Ų11682.5 Ų82.581%0.81147%0.467SS*.  trans-90.90-172.161.30000114.7L1095L1095-S1211 VanDerWaalsContact C-OXT 3.28Å; L1095-S1211 PolarHBondContact N-OXT 3.27Å

Retrieved 1,211 of 1,211 residues in 341.8 ms (Link to these results)