A0A077Z674_TRITR Loading...

G-patch 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z674, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 397 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
1M46.6Very low53.6Low249 Ų249164.5 Ų164.5100%1.22787%0.87SS**  0148.40-72170.9171.100108.6
2T46.2Very low53.3Low145 Ų145166.3 Ų166.389%0.8987%0.871SS**  trans-96.9133.3-168.742.80000113
3G50.2Low53.4Low78 Ų78160.6 Ų160.680%0.80486%0.862SS**  trans-137.3124.3168.900000109.4
4V57.3Low53.6Low135 Ų135158.1 Ų158.182%0.81886%0.859SS**  trans-97.8132.1-160.5175.70000112.9
5V52.3Low53Low131 Ų131158.8 Ų158.879%0.79486%0.862SS**  trans-68.1129.2172.3-178.90000110.5
6K61.5Low52.8Low192 Ų192155 Ų15584%0.83586%0.858SS**  trans-106.296.4170.2-78.5-175.8175.3177.40111.1
7S61.8Low52.1Low111 Ų111160.4 Ų160.478%0.77686%0.863SS**PPolyproline II helixtrans-70122.3169.5550000111.1
8F54.6Low52Low207 Ų207156.3 Ų156.391%0.90886%0.855SS**PPolyproline II helixtrans-86136.9170.8-117.8-93.1000111.4
9K57.8Low51.8Low192 Ų192156.5 Ų156.584%0.83586%0.855SS**PPolyproline II helixtrans-94.5121.6-167.5-168.9166.7-176.7170.50111.3R11K9-R11 PolarHBondContact O-N 3Å
10V51.1Low51.8Low129 Ų129156.8 Ų156.878%0.78285%0.854SS**PPolyproline II helixtrans-60.1131.3172.4176.30000109.8
11R50.1Low51.6Low240 Ų240154.6 Ų154.691%0.90685%0.848SS**PPolyproline II helixtrans-103.8118.5162.8-76.4-174.2171.6-171.5-2.6108.6K9K9-R11 PolarHBondContact O-N 3Å
12Q49.8Very low51.7Low187 Ų187151.1 Ų151.187%0.87483%0.834SS**PPolyproline II helixtrans-74.6143.4162.7-70.8173.6-30.200109.1
13A55.6Low51.6Low92 Ų92153.5 Ų153.576%0.7683%0.834SS**PPolyproline II helixtrans-96.9146.416600000109.2
14P55.5Low51.4Low125 Ų125161.1 Ų161.181%0.81284%0.839SS**PPolyproline II helixtrans-77.7154.7-174.431.8-35.7000113A16P14-A16 PolarHBondContact O-N 2.94Å
15N44.2Very low51Low169 Ų169160.2 Ų160.290%0.90484%0.839SS**PPolyproline II helixtrans-66.1124.9172-72.8-42.6000111.2
16A49.7Very low50.4Low98 Ų98163.2 Ų163.281%0.8184%0.841SS**  trans-112.2107165.200000109.4P14P14-A16 PolarHBondContact O-N 2.94Å
17R41Very low49.8Very low247 Ų247162.1 Ų162.193%0.93284%0.841SS**  trans-78124.3168.5-81178.3166.3171.6-6108.9
18A50Low49.1Very low87 Ų87166.1 Ų166.172%0.71985%0.845SS**  trans-126.1108.7166.600000108.9
19N49.5Very low48.6Very low160 Ų160162.1 Ų162.186%0.85683%0.833SS**  trans-77.2121.5170.7-72.3-18.3000108.4
20L51.3Low47.9Very low161 Ų161160.8 Ų160.884%0.84383%0.829SS**  trans-110.8116169.9-81.2164.5000108.7
21P48.5Very low47.6Very low112 Ų112164 Ų16473%0.72784%0.836SS**  trans-74.2142.5178.330.4-33.7000111.1Q23P21-Q23 PolarHBondContact O-N 2.98Å; P21-Q23 VanDerWaalsContact O-N 3.09Å
22L47.3Very low47.2Very low176 Ų176160.9 Ų160.992%0.92183%0.831SS**  trans-70.4100.4174.5-79.6159.6000110.7R24L22-R24 PolarHBondContact O-N 3.48Å
23Q45.5Very low46.8Very low194 Ų194161.4 Ų161.491%0.90783%0.834SS**  trans-69.5109.3161.1-72.7-171.1-79.600109.1P21P21-Q23 PolarHBondContact O-N 2.98Å; P21-Q23 VanDerWaalsContact O-N 3.09Å
24R44.2Very low46.1Very low238 Ų238165.3 Ų165.390%0.89884%0.837SS**  trans-101109.6168.8-165.5178.2-171.5-170.31.4108.3L22L22-R24 PolarHBondContact O-N 3.48Å
25S49.6Very low45.5Very low117 Ų117165.6 Ų165.682%0.81884%0.836SS**  trans-66.3134.8179.739.10000111.8
26K40.2Very low45.2Very low193 Ų193162.5 Ų162.584%0.83982%0.82SS**  trans-101129156-62-177.5177-170.70107.4
27M48.8Very low44.9Very low169 Ų169165.7 Ų165.783%0.83382%0.823SS**  trans-175.5103.3154.3-82.8-152.8175.700107.9
28F46.8Very low44.8Very low195 Ų195163.7 Ų163.786%0.85582%0.815SS**  170.3122.5128-113.2-86.6000109.4
29D43.7Very low44.1Very low124 Ų124168 Ų16866%0.66382%0.82SS**  trans-156.6143-156.7-45.4-110.2000105.4
30H44.4Very low43.5Very low164 Ų164168.9 Ų168.976%0.75981%0.813SS**  cis-97-116.97-66.7-135.5000111.4
31E43.8Very low42.7Very low195 Ų195166.7 Ų166.791%0.91181%0.806SS**  cis-127.4172.14.8-69.8174119.800110.6
32E42.1Very low42.2Very low175 Ų175171.2 Ų171.282%0.81881%0.809SS**  trans-124152.9-163.2-58.8173.7144.800113.3
33E41.5Very low41.5Very low198 Ų198169 Ų16993%0.92580%0.803SS**  trans-151.5148.1148.4-138172.4-147.700110.9
34E39.8Very low41.1Very low175 Ų175169.5 Ų169.582%0.81880%0.802SS**  trans-87.1155.7-168.3-58.8179.7103.500111.8
35T44Very low40.7Very low130 Ų130163.1 Ų163.180%0.79880%0.795SS**  -170.3137.868.827.40000114.1
36D37.3Very low40.2Very low105 Ų105161.7 Ų161.756%0.56178%0.784SS**  trans42.9124.8130.9-150.55.5000121.5R38D36-R38 WeakPolarHBondContact OD1-CG 3.42Å; D36-R38 IonicContact OD1-NE 2.64Å; D36-R38 IonicContact OD2-CZ 2.96Å; D36-R38 IonicContact OD2-NE 3.31Å; D36-R38 PolarHBondContact OD2-NE 3.1Å; D36-R38 VanDerWaalsContact OD2-NE 3.08Å; D36-R38 IonicContact OD2-NH2 3.66Å
37N42.8Very low40.2Very low164 Ų164160.5 Ų160.588%0.87778%0.779SS**  trans-154.8102.2154.1-134.4-35.2000109.2
38R40.6Very low39.8Very low205 Ų205158.9 Ų158.977%0.77477%0.774SS**  trans-76.3145.3-165.4-62.2-175.5-179.2-175.7-8.1113.4D36D36-R38 WeakPolarHBondContact OD1-CG 3.42Å; D36-R38 IonicContact OD1-NE 2.64Å; D36-R38 IonicContact OD2-CZ 2.96Å; D36-R38 IonicContact OD2-NE 3.31Å; D36-R38 PolarHBondContact OD2-NE 3.1Å; D36-R38 VanDerWaalsContact OD2-NE 3.08Å; D36-R38 IonicContact OD2-NH2 3.66Å
39Q34.8Very low39.4Very low177 Ų177155 Ų15583%0.82777%0.771SS**  trans-64.1142.5167.4-62.7171-12.300110.6
40Y36Very low39.1Very low180 Ų180158.3 Ų158.371%0.70678%0.782SS**  trans-122.7108.2157.3-160.9-91.2000109.4R42Y40-R42 HydrophobicContact CE1-CB 4.34Å; Y40-R42 HydrophobicContact CE1-CG 3.89Å; Y40-R42 PolarHBondContact OH-NE 2.92Å
41T35.8Very low38.7Very low114 Ų114162.3 Ų162.370%0.69979%0.791SS**  trans-108.1132.6172.449.90000109.3
42R36.9Very low38.5Very low207 Ų207158.2 Ų158.278%0.78178%0.783SS**  trans-132.1111164.2-103-171.9174.5168.3-0.5109.4Y40Y40-R42 HydrophobicContact CE1-CB 4.34Å; Y40-R42 HydrophobicContact CE1-CG 3.89Å; Y40-R42 PolarHBondContact OH-NE 2.92Å
43T32.3Very low38Very low129 Ų129154.9 Ų154.979%0.79179%0.786SS**  trans-82.8144.1169.246.90000109.6
44F38.3Very low37.7Very low205 Ų205150.1 Ų150.190%0.89978%0.78SS**  trans-140.5140.2152.5-111.1-82.8000111.1
45S35.2Very low37.3Very low105 Ų105147 Ų14773%0.73478%0.784SS**  trans-88.5168.6169-142.40000108.4
46S38.4Very low36.8Very low86 Ų86146.9 Ų146.960%0.60178%0.783SS**  cis-164.5151.419.1-158.90000111.5
47K41.1Very low36.6Very low169 Ų169147.3 Ų147.374%0.73580%0.795SS**  trans53.8132.7139.6-82.3-175.7168.6-155.40124.1
48D40.1Very low36.1Very low134 Ų134148.2 Ų148.272%0.71779%0.794SS**  trans68143.8139-46.9-20.9000117.4
49S39.1Very low35.9Very low115 Ų115147.1 Ų147.180%0.80479%0.794SS**  cis-142.7165.913.9-57.80000113.2
50H37.3Very low36Very low193 Ų193144.6 Ų144.689%0.89479%0.791SS**  trans-60145175.9-47.1-95.4000115.1
51R36Very low36.4Very low248 Ų248143.4 Ų143.494%0.93680%0.797SS**  trans-146.6156.4130.2-147.9163.5-175.5164.11.2112
52S39.3Very low37Very low108 Ų108141.6 Ų141.676%0.75579%0.786SS**  trans-88.9158-163.853.10000114.8
53A31.5Very low37.7Very low105 Ų105135.8 Ų135.887%0.86878%0.775SS**  trans-61.6147.3178.500000114.7
54A34.4Very low39Very low98 Ų98136.9 Ų136.981%0.8177%0.774SS**  trans-146.1138.215500000107.5
55A32.3Very low40.2Very low109 Ų109129 Ų12990%0.90174%0.741SS**  trans-83.8128.5-171.700000112.6
56V34Very low41.7Very low128 Ų128127.7 Ų127.778%0.77674%0.737SS**  trans-137.8145.4165.2-176.20000107.8
57S31.6Very low42.8Very low115 Ų115126.6 Ų126.680%0.80473%0.733SS**PPolyproline II helixtrans-80.5116.6179.758.20000111.6
58E33.6Very low43.9Very low183 Ų183121.6 Ų121.686%0.85571%0.713SS**PPolyproline II helixtrans-96.9127174.9-68.7-176.3150.200111.3
59K35.2Very low44.8Very low181 Ų181119.9 Ų119.979%0.78771%0.71SS**PPolyproline II helixtrans-81.2130.7162.1-61.1171-175.4171.80106.3D61K59-D61 PolarHBondContact O-N 2.72Å
60T38.3Very low45.6Very low125 Ų125118.6 Ų118.677%0.76769%0.694SS**  trans-78.886.2177.4530000109.9V62T60-V62 PolarHBondContact O-N 3.28Å
61D43.5Very low46.4Very low154 Ų154113.5 Ų113.582%0.82468%0.68SS**  trans-73.875.9170-70.8-33.7000109.6K59K59-D61 PolarHBondContact O-N 2.72Å
62V48.8Very low47.1Very low76 Ų76112.1 Ų112.146%0.46168%0.676SS.*  trans-79.3131.8175-171.40000109T60 I64 E104T60-V62 PolarHBondContact O-N 3.28Å; V62-I64 PolarHBondContact O-N 3.09Å; V62-I64 VanDerWaalsContact O-N 3.1Å; V62-E104 WeakPolarHBondContact CG1-OE1 3.45Å
63P52.2Low47.2Very low86 Ų86110.4 Ų110.456%0.55866%0.664SS**  trans-66111.4-174.726-34.8000111.9I65P63-I65 PolarHBondContact O-N 3.24Å
64I59.1Low47.6Very low152 Ų152112.9 Ų112.978%0.77966%0.661SS**  trans-72.195.5177.2-56.6177.6000109.3V62 A66V62-I64 PolarHBondContact O-N 3.09Å; V62-I64 VanDerWaalsContact O-N 3.1Å; I64-A66 PolarHBondContact O-N 3.48Å
65I63.8Low47.6Very low40 Ų40113.5 Ų113.521%0.20566%0.655CS.*PPolyproline II helixtrans-57126.2172.9-50.3178.6000109.2P63 I100 E104 A108P63-I65 PolarHBondContact O-N 3.24Å; I65-I100 HydrophobicContact CD1-CB 4.37Å; I65-I100 HydrophobicContact CD1-CD1 4.42Å; I65-I100 HydrophobicContact CD1-CG1 4.05Å; I65-I100 HydrophobicContact CD1-CG2 3.62Å; I65-E104 HydrophobicContact CD1-CB 3.72Å; I65-A108 HydrophobicContact CB-CB 3.92Å; I65-A108 HydrophobicContact CG2-CB 3.57Å
66A65.7Low47.6Very low77 Ų77119.4 Ų119.464%0.63665%0.654SS**PPolyproline II helixtrans-64.8157.5179.800000112.1I64 I68I64-A66 PolarHBondContact O-N 3.48Å; A66-I68 PolarHBondContact O-N 2.74Å
67A62.1Low47.6Very low63 Ų63125 Ų12552%0.52166%0.661SS.*PPolyproline II helixtrans-65.5118.8178.100000110.6R111A67-R111 HydrophobicContact CB-CB 4.39Å
68I65Low47.8Very low63 Ų63123.4 Ų123.432%0.32366%0.662SS.*PPolyproline II helixtrans-71.5122.1179.4-55.9175.8000108.3A66 Y105 A108 L109 G112A66-I68 PolarHBondContact O-N 2.74Å; I68-Y105 HydrophobicContact CD1-CD2 4.44Å; I68-Y105 HydrophobicContact CD1-CE2 4.05Å; I68-A108 HydrophobicContact CD1-CB 4.32Å; I68-A108 HydrophobicContact CG1-CB 4.37Å; I68-L109 HydrophobicContact CD1-CB 4.32Å; I68-G112 WeakPolarHBondContact O-CA 3.27Å
69P59Low47.7Very low98 Ų98119.5 Ų119.564%0.63666%0.661SS**PPolyproline II helixtrans-68.4148.3-178.728.3-34.7000111.8S71P69-S71 PolarHBondContact O-N 3.03Å
70D54.7Low47.8Very low89 Ų89118.4 Ų118.448%0.47666%0.664SS.*  trans-7752.6-178.9-16910.7000112.7Y72 S73 L113D70-Y72 PolarHBondContact O-N 3.41Å; D70-S73 WeakPolarHBondContact O-CB 3.24Å; D70-S73 PolarHBondContact O-N 2.99Å; D70-S73 PolarHBondContact O-OG 3.1Å; D70-S73 WeakPolarHBondContact OD2-CB 3.22Å; D70-L113 HydrophobicContact CB-CD2 4.35Å
71S54.3Low48Very low85 Ų85120.5 Ų120.559%0.59467%0.665SS**THydrogen-bonded Turntrans-68-11.9-177.456.70000113.8P69P69-S71 PolarHBondContact O-N 3.03Å
72Y49.8Very low48.1Very low219 Ų219122.3 Ų122.386%0.85967%0.666SS**THydrogen-bonded Turntrans-92.70.6176.3-120.1-92.9000114.2D70 I74D70-Y72 PolarHBondContact O-N 3.41Å; Y72-I74 PolarHBondContact O-N 2.99Å; Y72-I74 VanDerWaalsContact O-N 3.1Å
73S42.5Very low47.7Very low73 Ų73127.3 Ų127.351%0.5169%0.689SS.*  trans-76.316.8176.764.50000115D70 V75D70-S73 WeakPolarHBondContact O-CB 3.24Å; D70-S73 PolarHBondContact O-N 2.99Å; D70-S73 PolarHBondContact O-OG 3.1Å; D70-S73 WeakPolarHBondContact OD2-CB 3.22Å; S73-V75 PolarHBondContact O-N 3.44Å
74I39.3Very low47.1Very low156 Ų156126.1 Ų126.180%0.869%0.692SS**  trans-75.665.7177.2-49.7-177.6000110.7Y72Y72-I74 PolarHBondContact O-N 2.99Å; Y72-I74 VanDerWaalsContact O-N 3.1Å
75V34.7Very low46.1Very low111 Ų111122.3 Ų122.367%0.67368%0.679SS**SBendtrans-130.395.1171.5-174.40000109.9S73S73-V75 PolarHBondContact O-N 3.44Å
76R32.8Very low45.4Very low234 Ų234127.9 Ų127.988%0.88371%0.708SS**SBendtrans67.880.8162.8-54.2174.8-175.8-162.20.1117
77R34Very low44.3Very low246 Ų246132.1 Ų132.193%0.92872%0.715SS**SBendtrans-154.3125.6141.7-121.2-175.3-61.5165.55.5110.8
78G34.5Very low43.7Very low80 Ų80137.2 Ų137.283%0.82573%0.728SS**  trans76.1121.7-176.800000112.4
79A33.2Very low42.9Very low101 Ų101139.9 Ų139.984%0.83574%0.742SS**  trans-109.680.9161.300000106.5
80D37.1Very low41.9Very low158 Ų158143.7 Ų143.785%0.84575%0.752SS**  trans-169.7155159.8-104.3-35000111.2
81E43Very low41.4Very low169 Ų169144.1 Ų144.179%0.7976%0.761SS**SBendtrans61122.8172.8-60.5-165174.400120
82K44.9Very low41.3Very low193 Ų193147.7 Ų147.784%0.83977%0.769SS**  trans61.172159.5-61179.6-176.5174.50116.9G84K82-G84 PolarHBondContact O-N 2.99Å; K82-G84 VanDerWaalsContact O-N 3.1Å
83L39.4Very low41.4Very low181 Ų181145.3 Ų145.395%0.94877%0.765SS**  trans-61.2105145.2-167.577.7000108
84G39.7Very low42.1Very low61 Ų61149.7 Ų149.763%0.62978%0.783SS**  trans-61.8151.8174.700000111.5K82 L86K82-G84 PolarHBondContact O-N 2.99Å; K82-G84 VanDerWaalsContact O-N 3.1Å; G84-L86 PolarHBondContact O-N 3.38Å
85S39.7Very low43.3Very low72 Ų72146.8 Ų146.850%0.50377%0.768SS.*  trans-58127.6-179.634.40000111.5E87S85-E87 PolarHBondContact O-N 2.7Å
86L47.2Very low45.1Very low157 Ų157146 Ų14682%0.82276%0.76SS**THydrogen-bonded Turntrans-67-0.4176.5-160.768.8000113G84G84-L86 PolarHBondContact O-N 3.38Å
87E44.6Very low47.1Very low165 Ų165143 Ų14377%0.77175%0.75SS**THydrogen-bonded Turntrans-95.6-0.7-172.1-63.1169.1132.400112.8S85 L89S85-E87 PolarHBondContact O-N 2.7Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.23Å
88E47.5Very low49.2Very low170 Ų170139 Ų13979%0.79475%0.747SS**  trans-84.710.3174.8-109.1178.2168.500113.9E90E88-E90 PolarHBondContact O-N 3.37Å; E88-E90 VanDerWaalsContact O-N 3.17Å
89L48.5Very low51.3Low120 Ų120138.4 Ų138.463%0.62873%0.73SS**  trans-83.939.2172.3-66.4175.9000112.5E87 S91E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.23Å; L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 3.1Å
90E38.2Very low53.3Low178 Ų178136.3 Ų136.383%0.83271%0.705SS**THydrogen-bonded Turntrans-76.864.8-177.9-63.3-162.5126.700113E88E88-E90 PolarHBondContact O-N 3.37Å; E88-E90 VanDerWaalsContact O-N 3.17Å
91S43.9Very low55.3Low97 Ų97131.8 Ų131.868%0.67868%0.684SS**THydrogen-bonded Turntrans-178.648153.735.40000114.6L89 Q93L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 3.1Å; S91-Q93 PolarHBondContact O-N 2.8Å
92E53.6Low57.1Low160 Ų160130.2 Ų130.275%0.74869%0.685SS**  trans-72.526.7168.3-62.2-164.6153.200114
93Q52Low58.7Low169 Ų169128 Ų12879%0.7968%0.678SS**SBendtrans-126.6133.8179.2-62.4179.916.300108.3S91S91-Q93 PolarHBondContact O-N 2.8Å
94D56.1Low60.7Low166 Ų166121.2 Ų121.289%0.88864%0.642SS**  trans63.943.8-177.2-58.1-15.7000116.8D96D94-D96 PolarHBondContact O-N 2.94Å
95I65.7Low62.7Low94 Ų94124.6 Ų124.648%0.48264%0.636SS.*  trans-74.7101.4158.1-57.5177.1000108.7Y97I95-Y97 HydrophobicContact CB-CD2 4.43Å; I95-Y97 HydrophobicContact CB-CE2 3.91Å; I95-Y97 HydrophobicContact CG2-CD1 4.37Å; I95-Y97 HydrophobicContact CG2-CD2 4.08Å; I95-Y97 HydrophobicContact CG2-CE1 4Å; I95-Y97 HydrophobicContact CG2-CE2 3.69Å; I95-Y97 HydrophobicContact CG2-CG 4.4Å; I95-Y97 WeakPolarHBondContact O-CD2 3.41Å; I95-Y97 PolarHBondContact O-N 2.97Å
96D72Confident64.7Low94 Ų94122.8 Ų122.850%0.50363%0.629SS.*  trans-75.588.7177.1-176.1-6.5000111.7D94 D98 S99D94-D96 PolarHBondContact O-N 2.94Å; D96-D98 VanDerWaalsContact C-N 3.29Å; D96-D98 PolarHBondContact O-N 3.41Å; D96-D98 PolarHBondContact OD1-N 3.19Å; D96-S99 PolarHBondContact O-N 3.41Å; D96-S99 PolarHBondContact O-OG 3.05Å; D96-S99 PolarHBondContact OD1-N 2.86Å
97Y74.2Confident66.4Low171 Ų171118.3 Ų118.367%0.67160%0.603SS**G310 helixtrans-67.7-23.3174.5-67.2-81.6000114I95 S99 I100I95-Y97 HydrophobicContact CB-CD2 4.43Å; I95-Y97 HydrophobicContact CB-CE2 3.91Å; I95-Y97 HydrophobicContact CG2-CD1 4.37Å; I95-Y97 HydrophobicContact CG2-CD2 4.08Å; I95-Y97 HydrophobicContact CG2-CE1 4Å; I95-Y97 HydrophobicContact CG2-CE2 3.69Å; I95-Y97 HydrophobicContact CG2-CG 4.4Å; I95-Y97 WeakPolarHBondContact O-CD2 3.41Å; I95-Y97 PolarHBondContact O-N 2.97Å; Y97-S99 VanDerWaalsContact C-N 3.29Å; Y97-I100 PolarHBondContact O-N 2.88Å
98D78.6Confident68.1Low164 Ų164110.5 Ų110.588%0.87757%0.566SS**G310 helixtrans-74.7-23.5179.4-72.7-25.8000111.3D96 I100D96-D98 VanDerWaalsContact C-N 3.29Å; D96-D98 PolarHBondContact O-N 3.41Å; D96-D98 PolarHBondContact OD1-N 3.19Å; D98-I100 VanDerWaalsContact C-N 3.32Å; D98-I100 PolarHBondContact O-N 3.26Å
99S78.2Confident69.8Low66 Ų66105.7 Ų105.746%0.46255%0.546SS..G310 helixtrans-72.2-17.117376.50000115.1D96 Y97D96-S99 PolarHBondContact O-N 3.41Å; D96-S99 PolarHBondContact O-OG 3.05Å; D96-S99 PolarHBondContact OD1-N 2.86Å; Y97-S99 VanDerWaalsContact C-N 3.29Å
100I75.4Confident71.4Confident58 Ų58103.6 Ų103.630%0.29754%0.535SS..SBendtrans-109.5111.2-172.8-69.8172.2000110.6I65 Y97 D98 V102I65-I100 HydrophobicContact CD1-CB 4.37Å; I65-I100 HydrophobicContact CD1-CD1 4.42Å; I65-I100 HydrophobicContact CD1-CG1 4.05Å; I65-I100 HydrophobicContact CD1-CG2 3.62Å; Y97-I100 PolarHBondContact O-N 2.88Å; D98-I100 VanDerWaalsContact C-N 3.32Å; D98-I100 PolarHBondContact O-N 3.26Å; I100-V102 PolarHBondContact O-N 2.95Å
101P79.8Confident73.6Confident62 Ų6298.9 Ų98.940%0.40351%0.509SS..  trans-60.7134.7171.6-20.832.2000111E103 E104 Y105P101-E103 PolarHBondContact O-N 3.24Å; P101-E103 VanDerWaalsContact O-N 3.09Å; P101-E104 HydrophobicContact CB-CG 4.14Å; P101-E104 HydrophobicContact CG-CG 4.31Å; P101-E104 PolarHBondContact O-N 3.17Å; P101-Y105 PolarHBondContact O-N 2.87Å
102V79.4Confident75.4Confident137 Ų13795.4 Ų95.483%0.8349%0.489SS*.Hα-helixtrans-55.6-32.5-179.2-178.90000112.2I100 E104I100-V102 PolarHBondContact O-N 2.95Å; V102-E104 VanDerWaalsContact C-N 3.27Å; V102-E104 PolarHBondContact O-N 3.15Å
103E80Confident76.6Confident146 Ų14692.8 Ų92.868%0.68248%0.48SS*.Hα-helixtrans-63.8-27.9174.2-62.8-169.9-16500114.1P101 K107P101-E103 PolarHBondContact O-N 3.24Å; P101-E103 VanDerWaalsContact O-N 3.09Å; E103-K107 VanDerWaalsContact O-CD 3.24Å; E103-K107 WeakPolarHBondContact O-CD 3.26Å; E103-K107 WeakPolarHBondContact O-CE 3.18Å; E103-K107 VanDerWaalsContact O-CG 3.22Å; E103-K107 WeakPolarHBondContact O-CG 3.41Å; E103-K107 IonicContact OE2-NZ 3.08Å; E103-K107 PolarHBondContact OE2-NZ 3.3Å
104E80.8Confident77.9Confident39 Ų3988 Ų8818%0.18248%0.476CS..Hα-helixtrans-90.4-33.9-174.7-63.2-165.3151.900112.5V62 I65 P101 V102 G106 K107 A108V62-E104 WeakPolarHBondContact CG1-OE1 3.45Å; I65-E104 HydrophobicContact CD1-CB 3.72Å; P101-E104 HydrophobicContact CB-CG 4.14Å; P101-E104 HydrophobicContact CG-CG 4.31Å; P101-E104 PolarHBondContact O-N 3.17Å; V102-E104 VanDerWaalsContact C-N 3.27Å; V102-E104 PolarHBondContact O-N 3.15Å; E104-G106 VanDerWaalsContact C-N 3.3Å; E104-G106 PolarHBondContact O-N 3.08Å; E104-K107 CarbonylContact O-C 3.57Å; E104-K107 PolarHBondContact O-N 3.47Å; E104-K107 VanDerWaalsContact O-N 3.1Å; E104-A108 WeakPolarHBondContact O-CB 3.16Å; E104-A108 PolarHBondContact O-N 3.17Å
105Y81.8Confident78.9Confident132 Ų13283.6 Ų83.652%0.51845%0.447SS..Hα-helixtrans-54.5-46.7171.2179.9-97.1000111.7I68 P101 K107 A108 L109I68-Y105 HydrophobicContact CD1-CD2 4.44Å; I68-Y105 HydrophobicContact CD1-CE2 4.05Å; P101-Y105 PolarHBondContact O-N 2.87Å; Y105-K107 PolarHBondContact O-N 3.5Å; Y105-A108 PolarHBondContact O-N 3Å; Y105-L109 PolarHBondContact O-N 2.74Å
106G81.1Confident79.6Confident34 Ų3482.4 Ų82.435%0.35145%0.447SS..Hα-helixtrans-62.4-40.2175.300000113.2E104 L110E104-G106 VanDerWaalsContact C-N 3.3Å; E104-G106 PolarHBondContact O-N 3.08Å; G106-L110 WeakPolarHBondContact O-CB 3.33Å; G106-L110 VanDerWaalsContact O-CG 3.28Å; G106-L110 WeakPolarHBondContact O-CG 3.44Å; G106-L110 PolarHBondContact O-N 3.36Å; G106-L110 VanDerWaalsContact O-N 3.09Å
107K82.2Confident79.8Confident63 Ų6384 Ų8427%0.27445%0.451SS..Hα-helixtrans-65.4-40.2174.9-66.2163-160.5160.70111.2E103 E104 Y105 L110 R111E103-K107 VanDerWaalsContact O-CD 3.24Å; E103-K107 WeakPolarHBondContact O-CD 3.26Å; E103-K107 WeakPolarHBondContact O-CE 3.18Å; E103-K107 VanDerWaalsContact O-CG 3.22Å; E103-K107 WeakPolarHBondContact O-CG 3.41Å; E103-K107 IonicContact OE2-NZ 3.08Å; E103-K107 PolarHBondContact OE2-NZ 3.3Å; E104-K107 CarbonylContact O-C 3.57Å; E104-K107 PolarHBondContact O-N 3.47Å; E104-K107 VanDerWaalsContact O-N 3.1Å; Y105-K107 PolarHBondContact O-N 3.5Å; K107-L110 PolarHBondContact O-N 2.83Å; K107-R111 WeakPolarHBondContact O-CB 3.17Å; K107-R111 WeakPolarHBondContact O-CD 3.49Å; K107-R111 WeakPolarHBondContact O-CG 3.48Å; K107-R111 PolarHBondContact O-N 3.43Å
108A82Confident79.8Confident0 Ų078.8 Ų78.80%045%0.449CS..Hα-helixtrans-66.6-41.5-179.900000112.9I65 I68 E104 Y105 R111 G112I65-A108 HydrophobicContact CB-CB 3.92Å; I65-A108 HydrophobicContact CG2-CB 3.57Å; I68-A108 HydrophobicContact CD1-CB 4.32Å; I68-A108 HydrophobicContact CG1-CB 4.37Å; E104-A108 WeakPolarHBondContact O-CB 3.16Å; E104-A108 PolarHBondContact O-N 3.17Å; Y105-A108 PolarHBondContact O-N 3Å; A108-R111 PolarHBondContact O-N 3.24Å; A108-G112 PolarHBondContact O-N 3.22Å
109L82.9Confident79.6Confident70 Ų7072.7 Ų72.737%0.36642%0.422SS..Hα-helixtrans-65.9-42.7173.8-172.3148.1000111.5I68 Y105 R111 G112 L113I68-L109 HydrophobicContact CD1-CB 4.32Å; Y105-L109 PolarHBondContact O-N 2.74Å; L109-R111 PolarHBondContact O-N 3.1Å; L109-G112 WeakPolarHBondContact O-CA 3.39Å; L109-G112 PolarHBondContact O-N 2.92Å; L109-G112 VanDerWaalsContact O-N 3.17Å; L109-L113 HydrophobicContact CD2-CD1 3.85Å; L109-L113 PolarHBondContact O-N 3.01Å; L109-L113 VanDerWaalsContact O-N 3.08Å
110L82.1Confident79.2Confident76 Ų7671 Ų7140%0.39841%0.412SS..Hα-helixtrans-63.3-39.8174.2-73.8171.7000112.5G106 K107 G112 L113 G114 W115G106-L110 WeakPolarHBondContact O-CB 3.33Å; G106-L110 VanDerWaalsContact O-CG 3.28Å; G106-L110 WeakPolarHBondContact O-CG 3.44Å; G106-L110 PolarHBondContact O-N 3.36Å; G106-L110 VanDerWaalsContact O-N 3.09Å; K107-L110 PolarHBondContact O-N 2.83Å; L110-G112 VanDerWaalsContact C-N 3.3Å; L110-G112 PolarHBondContact O-N 3.15Å; L110-L113 CarbonylContact O-C 3.47Å; L110-L113 PolarHBondContact O-N 3.35Å; L110-L113 VanDerWaalsContact O-N 3.15Å; L110-G114 PolarHBondContact O-N 3.17Å; L110-W115 HydrophobicContact CB-CB 4.13Å; L110-W115 HydrophobicContact CB-CD2 4.21Å; L110-W115 HydrophobicContact CB-CE3 3.74Å; L110-W115 HydrophobicContact CB-CG 4.41Å; L110-W115 HydrophobicContact CD1-CE3 4.29Å; L110-W115 WeakPolarHBondContact O-CB 3.47Å; L110-W115 PolarHBondContact O-N 3.25Å
111R83.4Confident78.8Confident78 Ų7875.1 Ų75.129%0.29443%0.433SS..Hα-helixtrans-60.9-38.6171.9-71.7163.6-172.6170.91.7111.6A67 K107 A108 L109 L113 G114 W115 E117A67-R111 HydrophobicContact CB-CB 4.39Å; K107-R111 WeakPolarHBondContact O-CB 3.17Å; K107-R111 WeakPolarHBondContact O-CD 3.49Å; K107-R111 WeakPolarHBondContact O-CG 3.48Å; K107-R111 PolarHBondContact O-N 3.43Å; A108-R111 PolarHBondContact O-N 3.24Å; L109-R111 PolarHBondContact O-N 3.1Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-L113 PolarHBondContact O-N 3.22Å; R111-G114 PolarHBondContact O-N 2.82Å; R111-G114 VanDerWaalsContact O-N 3.09Å; R111-W115 WeakPolarHBondContact CA-O 3.49Å; R111-E117 IonicContact CZ-OE1 3.63Å; R111-E117 IonicContact NE-OE1 3.63Å; R111-E117 IonicContact NH2-OE1 2.72Å; R111-E117 PolarHBondContact NH2-OE1 3.45Å
112G82.2Confident78.2Confident25 Ų2574.3 Ų74.326%0.25844%0.436SS..Hα-helixtrans-55.6-43.6169.700000113.8I68 A108 L109 L110 G114I68-G112 WeakPolarHBondContact O-CA 3.27Å; A108-G112 PolarHBondContact O-N 3.22Å; L109-G112 WeakPolarHBondContact O-CA 3.39Å; L109-G112 PolarHBondContact O-N 2.92Å; L109-G112 VanDerWaalsContact O-N 3.17Å; L110-G112 VanDerWaalsContact C-N 3.3Å; L110-G112 PolarHBondContact O-N 3.15Å; G112-G114 PolarHBondContact O-N 3.08Å
113L79.4Confident77.6Confident105 Ų10578 Ų7855%0.5544%0.441SS..THydrogen-bonded Turntrans-80.112176.2-60.6174.5000113.9D70 L109 L110 R111D70-L113 HydrophobicContact CB-CD2 4.35Å; L109-L113 HydrophobicContact CD2-CD1 3.85Å; L109-L113 PolarHBondContact O-N 3.01Å; L109-L113 VanDerWaalsContact O-N 3.08Å; L110-L113 CarbonylContact O-C 3.47Å; L110-L113 PolarHBondContact O-N 3.35Å; L110-L113 VanDerWaalsContact O-N 3.15Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-L113 PolarHBondContact O-N 3.22Å
114G77.6Confident77.1Confident68 Ų6878 Ų7870%0.70145%0.451SS*.THydrogen-bonded Turntrans79.614.8175.300000115.6L110 R111 G112L110-G114 PolarHBondContact O-N 3.17Å; R111-G114 PolarHBondContact O-N 2.82Å; R111-G114 VanDerWaalsContact O-N 3.09Å; G112-G114 PolarHBondContact O-N 3.08Å
115W78.7Confident76Confident74 Ų7480.8 Ų80.828%0.2847%0.467SS..  trans-83.8146.4171.1178.886000111.4L110 R111 E117L110-W115 HydrophobicContact CB-CB 4.13Å; L110-W115 HydrophobicContact CB-CD2 4.21Å; L110-W115 HydrophobicContact CB-CE3 3.74Å; L110-W115 HydrophobicContact CB-CG 4.41Å; L110-W115 HydrophobicContact CD1-CE3 4.29Å; L110-W115 WeakPolarHBondContact O-CB 3.47Å; L110-W115 PolarHBondContact O-N 3.25Å; R111-W115 WeakPolarHBondContact CA-O 3.49Å; W115-E117 HydrophobicContact CH2-CB 4.42Å; W115-E117 HydrophobicContact CH2-CG 3.62Å; W115-E117 HydrophobicContact CZ3-CG 3.81Å
116S79.7Confident75.4Confident69 Ų6982.8 Ų82.848%0.48348%0.479SS..  trans-136.6157.5173.157.50000111.1G118 A119S116-G118 PolarHBondContact O-N 2.96Å; S116-A119 WeakPolarHBondContact O-CB 3.24Å; S116-A119 PolarHBondContact O-N 3.15Å
117E76.4Confident74.8Confident126 Ų12687.2 Ų87.259%0.58949%0.49SS*.THydrogen-bonded Turntrans-65118.8-175.7-73.2160.4-131.600110.6R111 W115R111-E117 IonicContact CZ-OE1 3.63Å; R111-E117 IonicContact NE-OE1 3.63Å; R111-E117 IonicContact NH2-OE1 2.72Å; R111-E117 PolarHBondContact NH2-OE1 3.45Å; W115-E117 HydrophobicContact CH2-CB 4.42Å; W115-E117 HydrophobicContact CH2-CG 3.62Å; W115-E117 HydrophobicContact CZ3-CG 3.81Å
118G74.7Confident74.2Confident62 Ų6288.9 Ų88.964%0.63951%0.506SS*.THydrogen-bonded Turntrans89.3-3.5-171.400000115.3S116 V128S116-G118 PolarHBondContact O-N 2.96Å; G118-V128 VanDerWaalsContact O-CG2 3.26Å; G118-V128 WeakPolarHBondContact O-CG2 3.46Å
119A73.6Confident73.4Confident36 Ų3694.3 Ų94.330%0.29854%0.538SS..  trans-71.3131.9170.600000111.3S116S116-A119 WeakPolarHBondContact O-CB 3.24Å; S116-A119 PolarHBondContact O-N 3.15Å
120A69.9Low72.9Confident32 Ų3299.8 Ų99.826%0.26456%0.559SS.*  trans-78.2141.4175.700000112.1K126 V128A120-K126 VanDerWaalsContact CB-CA 3.5Å; A120-K126 HydrophobicContact CB-CB 3.99Å; A120-V128 HydrophobicContact CB-CG2 4.17Å
121I67.4Low72.6Confident143 Ų143102.3 Ų102.373%0.73358%0.577SS**  trans-92.3109.8-175.2-59.4173000109.9
122G67.1Low72.4Confident45 Ų45105.7 Ų105.746%0.46460%0.6SS.*  trans137.3150.7169.500000114.6
123K67.5Low72.2Confident214 Ų214112.6 Ų112.693%0.9363%0.626SS**SBendtrans-72.2-33.8179.8-66.1-178.4179.4178.10113.1
124T68.7Low72.2Confident146 Ų146112.9 Ų112.990%0.89664%0.636SS**SBendtrans-104.3-29.1-166.7-400000114.1
125N58.3Low72.2Confident98 Ų98118.5 Ų118.552%0.52464%0.644SS.*  trans-134.1106.2-177.7-170.21.4000110.4Q127N125-Q127 VanDerWaalsContact C-N 3.32Å; N125-Q127 PolarHBondContact O-N 2.72Å; N125-Q127 VanDerWaalsContact O-N 3.14Å; N125-Q127 WeakPolarHBondContact OD1-CG 3.41Å
126K68.6Low72.2Confident175 Ų175120.8 Ų120.876%0.76167%0.669SS**  trans-89.360.1-173.6-64.1-175.5179.9-177.40112A120A120-K126 VanDerWaalsContact CB-CA 3.5Å; A120-K126 HydrophobicContact CB-CB 3.99Å
127Q68.5Low72.1Confident126 Ų126123.6 Ų123.659%0.58967%0.669SS**  trans-107.9133.8174.8-72.3-180-10.600112.1N125 V129N125-Q127 VanDerWaalsContact C-N 3.32Å; N125-Q127 PolarHBondContact O-N 2.72Å; N125-Q127 VanDerWaalsContact O-N 3.14Å; N125-Q127 WeakPolarHBondContact OD1-CG 3.41Å; Q127-V129 HydrophobicContact CB-CG2 4.49Å; Q127-V129 PolarHBondContact O-N 3.02Å
128V68.5Low72.2Confident99 Ų99121.1 Ų121.160%0.666%0.664SS**  trans-81.590.3170.6-178.50000107.8G118 A120 K130G118-V128 VanDerWaalsContact O-CG2 3.26Å; G118-V128 WeakPolarHBondContact O-CG2 3.46Å; A120-V128 HydrophobicContact CB-CG2 4.17Å; V128-K130 PolarHBondContact O-N 3.37Å
129V67.2Low72.5Confident114 Ų114128.4 Ų128.469%0.69168%0.678SS**PPolyproline II helixtrans-76.4120.1177.2-177.60000108.6Q127Q127-V129 HydrophobicContact CB-CG2 4.49Å; Q127-V129 PolarHBondContact O-N 3.02Å
130K72.1Confident72.8Confident184 Ų184131 Ų13180%0.871%0.707SS**PPolyproline II helixtrans-63.7141170.5-66.3-173.5176.8-172.70109.5V128 I132V128-K130 PolarHBondContact O-N 3.37Å; K130-I132 PolarHBondContact O-N 3.4Å
131V75.1Confident73.1Confident129 Ų129131.9 Ų131.978%0.78271%0.708SS**PPolyproline II helixtrans-56130.7174.8-1800000109.1E133V131-E133 PolarHBondContact O-N 2.97Å; V131-E133 VanDerWaalsContact O-N 3.09Å
132I78.5Confident73.7Confident150 Ų150127.1 Ų127.177%0.76969%0.694SS**  trans-82.288.6177.7-55.4177.4000107.6K130 S134K130-I132 PolarHBondContact O-N 3.4Å; I132-S134 PolarHBondContact O-N 3.26Å
133E78.7Confident74.1Confident170 Ų170133.4 Ų133.479%0.79472%0.716SS**  trans-63.4114.4171.2-70.1176.9-167.100109.5V131 E135V131-E133 PolarHBondContact O-N 2.97Å; V131-E133 VanDerWaalsContact O-N 3.09Å; E133-E135 PolarHBondContact O-N 3.29Å; E133-E135 VanDerWaalsContact O-N 3.13Å
134S78.5Confident74.6Confident111 Ų111127.5 Ų127.578%0.77672%0.715SS**  trans-83.287.6-175.9580000111.1I132 P136I132-S134 PolarHBondContact O-N 3.26Å; S134-P136 WeakPolarHBondContact O-CD 3.37Å
135E79.4Confident75Confident185 Ų185122.5 Ų122.586%0.86469%0.689SS**PPolyproline II helixtrans-54.9119.9172.3-72-166.816300110.6E133 R137E133-E135 PolarHBondContact O-N 3.29Å; E133-E135 VanDerWaalsContact O-N 3.13Å; E135-R137 PolarHBondContact O-N 3.04Å
136P76.9Confident75.5Confident123 Ų123121.7 Ų121.780%0.79970%0.696SS**PPolyproline II helixtrans-70.2124.8-177.326.8-33.4000110.8S134S134-P136 WeakPolarHBondContact O-CD 3.37Å
137R79.4Confident75.5Confident128 Ų128117.3 Ų117.348%0.48368%0.684SS.*PPolyproline II helixtrans-52.9130.7178-178.4-178.7-116.7-114.7-4.3110.2E135 K139 L141 G142 A145E135-R137 PolarHBondContact O-N 3.04Å; R137-K139 PolarHBondContact O-N 2.98Å; R137-L141 PolarHBondContact NH1-O 3.27Å; R137-G142 PolarHBondContact NH1-O 3.49Å; R137-A145 PolarHBondContact NH1-O 3.39Å; R137-A145 PolarHBondContact NH2-O 3.32Å
138P77.3Confident75.3Confident74 Ų74120.7 Ų120.748%0.48170%0.696SS.*PPolyproline II helixtrans-58.9131.2-178.621.9-33.3000111.9L141 V147P138-L141 HydrophobicContact CG-CD2 4.45Å; P138-L141 PolarHBondContact O-N 3.47Å; P138-V147 HydrophobicContact CG-CG2 4.11Å
139K81.6Confident74.9Confident215 Ų215119.9 Ų119.994%0.93570%0.695SS**THydrogen-bonded Turntrans-56.7139.4179.8-65.6-177178.5-178.30110.6R137R137-K139 PolarHBondContact O-N 2.98Å
140G80Confident74.1Confident89 Ų89124.2 Ų124.292%0.91871%0.705SS**THydrogen-bonded Turntrans89-6.3-179.200000115.7G142G140-G142 PolarHBondContact O-N 2.86Å
141L76.5Confident72.5Confident52 Ų52120.5 Ų120.527%0.27270%0.698SS.*  trans-85.4105.8174.4-170.271.5000111.2R137 P138 A145 V147R137-L141 PolarHBondContact NH1-O 3.27Å; P138-L141 HydrophobicContact CG-CD2 4.45Å; P138-L141 PolarHBondContact O-N 3.47Å; L141-A145 HydrophobicContact CD1-CB 3.58Å; L141-A145 HydrophobicContact CG-CB 3.99Å; L141-V147 HydrophobicContact CD2-CB 4.33Å; L141-V147 HydrophobicContact CD2-CG2 3.41Å; L141-V147 VanDerWaalsContact CD2-CG2 3.41Å
142G78.9Confident71Confident43 Ų43123.2 Ų123.244%0.44370%0.699SS.*  trans-60.7160.3-177.800000115.2R137 G140 A145R137-G142 PolarHBondContact NH1-O 3.49Å; G140-G142 PolarHBondContact O-N 2.86Å; G142-A145 WeakPolarHBondContact O-CB 3.3Å; G142-A145 PolarHBondContact O-N 3.34Å; G142-A145 VanDerWaalsContact O-N 3.11Å
143L76.3Confident69.2Low177 Ų177122.9 Ų122.993%0.92769%0.694SS**THydrogen-bonded Turntrans-60.3139170.5-61.9175.3000109.5A145L143-A145 PolarHBondContact O-N 3.09Å
144G76.7Confident67.5Low89 Ų89123 Ų12392%0.91869%0.694SS**THydrogen-bonded Turntrans81.8-21-171.300000115.2
145A77.2Confident65.8Low41 Ų41124.6 Ų124.634%0.33969%0.687SS.*PPolyproline II helixtrans-80.3124.4171.200000110.6R137 L141 G142 L143R137-A145 PolarHBondContact NH1-O 3.39Å; R137-A145 PolarHBondContact NH2-O 3.32Å; L141-A145 HydrophobicContact CD1-CB 3.58Å; L141-A145 HydrophobicContact CG-CB 3.99Å; G142-A145 WeakPolarHBondContact O-CB 3.3Å; G142-A145 PolarHBondContact O-N 3.34Å; G142-A145 VanDerWaalsContact O-N 3.11Å; L143-A145 PolarHBondContact O-N 3.09Å
146A70.3Confident63.6Low82 Ų82124.7 Ų124.768%0.67869%0.685SS**PPolyproline II helixtrans-81.5142172.600000110.8K148A146-K148 PolarHBondContact O-N 2.81Å
147V67.6Low61.8Low82 Ų82124.8 Ų124.850%0.49768%0.679SS.*PPolyproline II helixtrans-62.4126.1159.6179.40000105.8P138 L141 S149P138-V147 HydrophobicContact CG-CG2 4.11Å; L141-V147 HydrophobicContact CD2-CB 4.33Å; L141-V147 HydrophobicContact CD2-CG2 3.41Å; L141-V147 VanDerWaalsContact CD2-CG2 3.41Å; V147-S149 VanDerWaalsContact C-N 3.26Å; V147-S149 PolarHBondContact O-N 3.04Å
148K65.4Low59.6Low198 Ų198127.1 Ų127.186%0.86170%0.701SS**  trans-65.896.6162.7-72.8-175.6-178.6178.20106.3A146 K150A146-K148 PolarHBondContact O-N 2.81Å; K148-K150 PolarHBondContact O-N 3.37Å
149S58.3Low58Low82 Ų82129.3 Ų129.357%0.57371%0.713SS**  trans-51.4127.5176.150.80000107.9V147 T151V147-S149 VanDerWaalsContact C-N 3.26Å; V147-S149 PolarHBondContact O-N 3.04Å; S149-T151 PolarHBondContact O-N 3.09Å; S149-T151 PolarHBondContact OG-OG1 3.47Å
150K51.2Low56Low205 Ų205123 Ų12389%0.89170%0.695SS**  trans-70.872.5157.5-75.5-175.7178.3178.30106.2K148 K152K148-K150 PolarHBondContact O-N 3.37Å; K150-K152 PolarHBondContact O-N 3.17Å
151T39.5Very low54.2Low106 Ų106127.8 Ų127.865%0.6569%0.691SS**  trans-62.592.8169.8-44.60000105.3S149 E153S149-T151 PolarHBondContact O-N 3.09Å; S149-T151 PolarHBondContact OG-OG1 3.47Å; T151-E153 PolarHBondContact O-N 3.14Å; T151-E153 VanDerWaalsContact O-N 3.11Å
152K43Very low52.7Low185 Ų185133.5 Ų133.580%0.80472%0.716SS**  trans-51.4120.2157.5-74.7-177.1175.5-179.20104.4K150 E154K150-K152 PolarHBondContact O-N 3.17Å; K152-E154 PolarHBondContact O-N 3.1Å
153E41.4Very low51.2Low143 Ų143139.1 Ų139.167%0.66873%0.731SS**  trans-64.694.8170.5-66.1-177.6165.100106.1T151 K155T151-E153 PolarHBondContact O-N 3.14Å; T151-E153 VanDerWaalsContact O-N 3.11Å; E153-K155 HydrophobicContact CB-CG 4.26Å; E153-K155 PolarHBondContact O-N 2.8Å; E153-K155 WeakPolarHBondContact OE2-CE 3.43Å; E153-K155 IonicContact OE2-NZ 3.86Å; E153-K155 PolarHBondContact OE2-NZ 3Å
154E42Very low49.9Very low172 Ų172139.1 Ų139.180%0.80473%0.726SS**  trans-67.975.3168.2-73.7-163.517300108.4K152 K156K152-E154 PolarHBondContact O-N 3.1Å; E154-K156 PolarHBondContact O-N 2.99Å
155K41.9Very low48.8Very low145 Ų145142.7 Ų142.763%0.6372%0.719SS**  trans-68.886.4171.6-76.1-179.9-180146.20109E153 D157E153-K155 HydrophobicContact CB-CG 4.26Å; E153-K155 PolarHBondContact O-N 2.8Å; E153-K155 WeakPolarHBondContact OE2-CE 3.43Å; E153-K155 IonicContact OE2-NZ 3.86Å; E153-K155 PolarHBondContact OE2-NZ 3Å; K155-D157 PolarHBondContact O-N 3.1Å
156K34.8Very low48.1Very low187 Ų187148 Ų14881%0.81374%0.737SS**  trans-70.573.7153.7-75.5-176.3174.31760109.4E154E154-K156 PolarHBondContact O-N 2.99Å
157D37.9Very low48.5Very low126 Ų126149 Ų14967%0.67473%0.73SS**  trans-118.3112.7157.3-79.1-53000106.9K155 V159K155-D157 PolarHBondContact O-N 3.1Å; D157-V159 PolarHBondContact O-N 3.07Å; D157-V159 VanDerWaalsContact O-N 3.1Å
158N33.4Very low49.3Very low176 Ų176149.3 Ų149.394%0.94173%0.726SS**  trans-73101.8-179.7-81-26.6000109.9
159V43.1Very low50.5Low121 Ų121141.6 Ų141.673%0.73369%0.694SS**  trans-129.2126171-175.90000108.9D157 K161D157-V159 PolarHBondContact O-N 3.07Å; D157-V159 VanDerWaalsContact O-N 3.1Å; V159-K161 PolarHBondContact O-N 2.87Å
160S41Very low51.9Low81 Ų81143.2 Ų143.257%0.56669%0.691SS**  trans-2.5107.917449.30000117.5E162S160-E162 PolarHBondContact O-N 2.92Å
161K41.5Very low53.9Low191 Ų191138 Ų13883%0.8368%0.676SS**THydrogen-bonded Turntrans-82.242.6-179.4-158.8-173.6178.4-174.90113V159V159-K161 PolarHBondContact O-N 2.87Å
162E45.3Very low56.4Low172 Ų172135 Ų13580%0.80467%0.667SS**THydrogen-bonded Turntrans-128.8-7.4-165.6-64.7-179.5158.800114.1S160S160-E162 PolarHBondContact O-N 2.92Å
163E46.7Very low58.8Low161 Ų161127.4 Ų127.475%0.75264%0.637SS**  trans-108.712.1179.3-65-167.9162.200114.3E165E163-E165 PolarHBondContact O-N 2.89Å
164E49.5Very low61.2Low177 Ų177121.5 Ų121.583%0.82761%0.611SS**  trans-78.148.6165.5-70.2-169.4129.300111.2E166E164-E166 PolarHBondContact O-N 2.94Å
165E52.6Low63.6Low164 Ų164113.3 Ų113.377%0.76657%0.573SS**  trans-59.5131.4163.3-72.9-164.214100108.6E163 L167E163-E165 PolarHBondContact O-N 2.89Å; E165-L167 PolarHBondContact O-N 2.84Å
166E62.7Low66Low153 Ų153107.6 Ų107.672%0.71555%0.548SS*.  trans-53.1116.6-178.5-64.4-176.3171.300110.6E164 Q168E164-E166 PolarHBondContact O-N 2.94Å; E166-Q168 HydrophobicContact CB-CG 4.04Å; E166-Q168 PolarHBondContact O-N 3.18Å; E166-Q168 PolarHBondContact OE2-NE2 2.83Å
167L79.9Confident68.7Low102 Ų10299.7 Ų99.753%0.53451%0.513SS..  trans-73.963.8-176-68.8177.4000111.8E165 V219E165-L167 PolarHBondContact O-N 2.84Å; L167-V219 HydrophobicContact CB-CB 4.11Å; L167-V219 HydrophobicContact CB-CG1 3.87Å; L167-V219 HydrophobicContact CD2-CG1 4.47Å; L167-V219 WeakPolarHBondContact O-CB 3.36Å; L167-V219 WeakPolarHBondContact O-CG1 3.5Å
168Q84.8Confident71.1Confident89 Ų8996.9 Ų96.942%0.41650%0.5SS..  trans-72.1133.1-179.8-63.5176.54.800110.4E166 K170 S173E166-Q168 HydrophobicContact CB-CG 4.04Å; E166-Q168 PolarHBondContact O-N 3.18Å; E166-Q168 PolarHBondContact OE2-NE2 2.83Å; Q168-K170 PolarHBondContact O-N 2.94Å; Q168-S173 PolarHBondContact O-OG 2.92Å
169L89.4Confident73.4Confident36 Ų3692.1 Ų92.119%0.18848%0.475CS..  trans-74.2111.6176.8-175.870.8000109.5I175 V189 M192 V199 Q214 V219L169-I175 HydrophobicContact CD1-CG2 3.95Å; L169-V189 HydrophobicContact CD1-CG2 3.89Å; L169-M192 HydrophobicContact CB-CE 4.43Å; L169-M192 HydrophobicContact CD2-CE 3.74Å; L169-M192 HydrophobicContact CG-CE 3.74Å; L169-M192 HydrophobicContact CG-SD 4.1Å; L169-V199 HydrophobicContact CD2-CG2 3.96Å; L169-Q214 HydrophobicContact CD2-CG 3.73Å; L169-V219 HydrophobicContact CB-CG2 3.75Å; L169-V219 HydrophobicContact CD1-CG2 3.74Å; L169-V219 HydrophobicContact CG-CG2 4.34Å
170K89.2Confident74.8Confident115 Ų11588.4 Ų88.450%0.546%0.457SS..  trans-134.9164179.2-67.2171.7-176.81630109.4Q168 G172 S173Q168-K170 PolarHBondContact O-N 2.94Å; K170-G172 PolarHBondContact O-N 2.84Å; K170-S173 PolarHBondContact N-OG 2.9Å; K170-S173 VanDerWaalsContact N-OG 3.08Å; K170-S173 VanDerWaalsContact O-CB 3.24Å; K170-S173 WeakPolarHBondContact O-CB 3.37Å; K170-S173 PolarHBondContact O-N 3.09Å; K170-S173 PolarHBondContact O-OG 2.93Å
171V92.9Very high76Confident97 Ų9790 Ų9059%0.58847%0.465SS*.THydrogen-bonded Turntrans-59.5130.8169.7175.50000109.3V189 I190 M192V171-V189 HydrophobicContact CG2-CG1 4.5Å; V171-I190 VanDerWaalsContact CG1-O 3.27Å; V171-I190 WeakPolarHBondContact CG1-O 3.24Å; V171-M192 HydrophobicContact CG2-CG 4.38Å; V171-M192 HydrophobicContact CG2-SD 4.41Å
172G91.3Very high77Confident43 Ų4389 Ų8944%0.44346%0.463SS..THydrogen-bonded Turntrans88.2-13.5-172.400000115.8K170 V189K170-G172 PolarHBondContact O-N 2.84Å; G172-V189 WeakPolarHBondContact CA-O 3.48Å; G172-V189 PolarHBondContact N-O 2.92Å
173S92.4Very high78.1Confident25 Ų2582.7 Ų82.718%0.17544%0.436CS..  trans-58.5142.3177.1-67.80000111.5Q168 K170 K188 V189Q168-S173 PolarHBondContact O-OG 2.92Å; K170-S173 PolarHBondContact N-OG 2.9Å; K170-S173 VanDerWaalsContact N-OG 3.08Å; K170-S173 VanDerWaalsContact O-CB 3.24Å; K170-S173 WeakPolarHBondContact O-CB 3.37Å; K170-S173 PolarHBondContact O-N 3.09Å; K170-S173 PolarHBondContact O-OG 2.93Å; S173-K188 WeakPolarHBondContact O-CA 3.18Å; S173-V189 PolarHBondContact O-N 2.92Å; S173-V189 VanDerWaalsContact O-N 3.15Å
174C93Very high79.6Confident18 Ų1878.8 Ų78.812%0.12242%0.421CS..EExtended strand (participates in β ladder)trans-78.3137.3171.9-66.60000109.7V220 Y225C174-V220 WeakPolarHBondContact CB-O 3.15Å; C174-V220 PolarHBondContact O-N 2.83Å; C174-Y225 HydrophobicContact CB-CD1 4.49Å; C174-Y225 HydrophobicContact CB-CD2 3.77Å; C174-Y225 HydrophobicContact CB-CE2 4.49Å; C174-Y225 HydrophobicContact CB-CG 3.76Å
175I92.9Very high81.4Confident1 Ų172.5 Ų72.51%0.00539%0.391CS..EExtended strand (participates in β ladder)trans-138.5160.6-17359.9158000112.8L169 Y186 G187 V189 C201 V217 E218L169-I175 HydrophobicContact CD1-CG2 3.95Å; I175-Y186 CarbonylContact O-C 3.55Å; I175-Y186 VanDerWaalsContact O-CA 3.23Å; I175-Y186 WeakPolarHBondContact O-CA 3.46Å; I175-Y186 WeakPolarHBondContact O-CB 3.04Å; I175-G187 VanDerWaalsContact CG1-O 3.27Å; I175-G187 WeakPolarHBondContact CG1-O 3.23Å; I175-G187 PolarHBondContact N-O 3.29Å; I175-G187 PolarHBondContact O-N 3.25Å; I175-V189 HydrophobicContact CD1-CG2 4.44Å; I175-V189 HydrophobicContact CG2-CG2 3.86Å; I175-C201 HydrophobicContact CD1-CB 3.53Å; I175-V217 HydrophobicContact CB-CG1 3.57Å; I175-V217 HydrophobicContact CD1-CG1 3.58Å; I175-V217 HydrophobicContact CD1-CG2 4.45Å; I175-V217 HydrophobicContact CG1-CG1 4.17Å; I175-V217 HydrophobicContact CG2-CG1 3.62Å; I175-E218 CarbonylContact C-O 3.53Å; I175-E218 VanDerWaalsContact CA-O 3.24Å; I175-E218 WeakPolarHBondContact CA-O 3.28Å; I175-E218 WeakPolarHBondContact CB-O 3.44Å
176K91.7Very high83.3Confident24 Ų2465 Ų6510%0.10436%0.356CS..EExtended strand (participates in β ladder)trans-122.4140.5170165.2-179.9158.9-70.50109.5T178 N184 Y186 V217 E218 V220K176-T178 PolarHBondContact NZ-OG1 3.31Å; K176-N184 VanDerWaalsContact CE-OD1 3.28Å; K176-N184 WeakPolarHBondContact CE-OD1 3.47Å; K176-Y186 HydrophobicContact CB-CD1 3.88Å; K176-Y186 HydrophobicContact CB-CE1 3.81Å; K176-Y186 HydrophobicContact CD-CE1 4.16Å; K176-Y186 HydrophobicContact CG-CE1 4.23Å; K176-V217 WeakPolarHBondContact O-CA 3.18Å; K176-E218 HydrophobicContact CB-CB 4.46Å; K176-E218 PolarHBondContact N-O 3.22Å; K176-E218 IonicContact NZ-OE1 3.29Å; K176-E218 PolarHBondContact NZ-OE1 3.11Å; K176-E218 IonicContact NZ-OE2 3.47Å; K176-E218 PolarHBondContact NZ-OE2 2.79Å; K176-E218 PolarHBondContact O-N 3.4Å; K176-V220 HydrophobicContact CB-CG2 3.59Å
177R90.7Very high84.8Confident22 Ų2257.8 Ų57.88%0.08332%0.322CS..EExtended strand (participates in β ladder)trans-87.3141.4176.1-155.7171.381.6-134.8-3.9111.6D179 T183 E185 M203 L212R177-D179 WeakPolarHBondContact CD-OD1 3.43Å; R177-D179 WeakPolarHBondContact CD-OD2 3.38Å; R177-D179 HydrophobicContact CG-CB 4.34Å; R177-D179 WeakPolarHBondContact CG-OD1 3.19Å; R177-D179 IonicContact CZ-OD1 2.66Å; R177-D179 IonicContact CZ-OD2 3.64Å; R177-D179 IonicContact NE-OD1 2.93Å; R177-D179 PolarHBondContact NE-OD1 2.66Å; R177-D179 IonicContact NE-OD2 2.68Å; R177-D179 PolarHBondContact NE-OD2 3.43Å; R177-D179 IonicContact NH2-OD1 3.26Å; R177-T183 VanDerWaalsContact NH2-CB 3.26Å; R177-T183 PolarHBondContact NH2-OG1 3.22Å; R177-T183 VanDerWaalsContact NH2-OG1 3.1Å; R177-E185 IonicContact CZ-OE2 2.66Å; R177-E185 VanDerWaalsContact CZ-OE2 3.31Å; R177-E185 PolarHBondContact N-O 2.88Å; R177-E185 IonicContact NH1-OE2 2.7Å; R177-E185 PolarHBondContact NH1-OE2 2.66Å; R177-E185 IonicContact NH2-OE2 3.44Å; R177-E185 PolarHBondContact NH2-OE2 2.87Å; R177-M203 HydrophobicContact CB-CE 4.2Å; R177-L212 VanDerWaalsContact CD-CD1 3.42Å; R177-L212 HydrophobicContact CG-CD1 3.72Å
178T88.8Confident85.5Confident67 Ų6757.5 Ų57.541%0.41132%0.317SS..  trans-135.717.1-178.6-50.40000111.8K176 S216 E218K176-T178 PolarHBondContact NZ-OG1 3.31Å; T178-S216 PolarHBondContact N-O 3Å; T178-E218 WeakPolarHBondContact CB-OE1 3.31Å; T178-E218 WeakPolarHBondContact CG2-OE1 3.48Å; T178-E218 VanDerWaalsContact OG1-CD 3.3Å; T178-E218 PolarHBondContact OG1-OE1 3.11Å
179D82.5Confident85.9Confident76 Ų7653.5 Ų53.541%0.40630%0.298SS..SBendtrans-67.5-39.7-179.161.6-14.7000114.6R177 T183R177-D179 WeakPolarHBondContact CD-OD1 3.43Å; R177-D179 WeakPolarHBondContact CD-OD2 3.38Å; R177-D179 HydrophobicContact CG-CB 4.34Å; R177-D179 WeakPolarHBondContact CG-OD1 3.19Å; R177-D179 IonicContact CZ-OD1 2.66Å; R177-D179 IonicContact CZ-OD2 3.64Å; R177-D179 IonicContact NE-OD1 2.93Å; R177-D179 PolarHBondContact NE-OD1 2.66Å; R177-D179 IonicContact NE-OD2 2.68Å; R177-D179 PolarHBondContact NE-OD2 3.43Å; R177-D179 IonicContact NH2-OD1 3.26Å; D179-T183 PolarHBondContact OD1-OG1 2.76Å
180A70.9Confident86.2Confident43 Ų4356 Ų5636%0.35531%0.311SS..SBendtrans-129.4146.2-170.500000112.7H182 T183A180-H182 PolarHBondContact O-N 3.25Å; A180-T183 HydrophobicContact CB-CG2 4.4Å; A180-T183 PolarHBondContact O-N 3.45Å; A180-T183 PolarHBondContact O-OG1 2.83Å
181P67.2Low86.4Confident113 Ų11353 Ų5373%0.73431%0.305SS*.THydrogen-bonded Turntrans-53.2130.4174.2-26.935.3000112.2T183P181-T183 VanDerWaalsContact C-N 3.31Å; P181-T183 PolarHBondContact O-N 3.08Å
182H61.8Low86.3Confident171 Ų17151.1 Ų51.179%0.79229%0.29SS*.THydrogen-bonded Turntrans70.80.5178.5-44.9-79.2000117.3A180 N184A180-H182 PolarHBondContact O-N 3.25Å; H182-N184 PolarHBondContact O-N 3.33Å
183T70Confident86.3Confident40 Ų4051.7 Ų51.725%0.24528%0.283CS..  trans-96.665.4177.164.90000113.4R177 D179 A180 P181 E185R177-T183 VanDerWaalsContact NH2-CB 3.26Å; R177-T183 PolarHBondContact NH2-OG1 3.22Å; R177-T183 VanDerWaalsContact NH2-OG1 3.1Å; D179-T183 PolarHBondContact OD1-OG1 2.76Å; A180-T183 HydrophobicContact CB-CG2 4.4Å; A180-T183 PolarHBondContact O-N 3.45Å; A180-T183 PolarHBondContact O-OG1 2.83Å; P181-T183 VanDerWaalsContact C-N 3.31Å; P181-T183 PolarHBondContact O-N 3.08Å; T183-E185 PolarHBondContact O-N 3.47Å
184N77.9Confident86.1Confident79 Ų7958.4 Ų58.442%0.42231%0.311SS..  trans-73.655.9171.1-69-43.4000111.6K176 H182 Y186K176-N184 VanDerWaalsContact CE-OD1 3.28Å; K176-N184 WeakPolarHBondContact CE-OD1 3.47Å; H182-N184 PolarHBondContact O-N 3.33Å; N184-Y186 WeakPolarHBondContact O-CD2 3.38Å; N184-Y186 WeakPolarHBondContact O-CE2 3.2Å
185E87.7Confident85.9Confident45 Ų4565.1 Ų65.121%0.2135%0.346CS..  trans-84.7141.3178.1-63.9-168.6117.700110.8R177 T183 M203 L205R177-E185 IonicContact CZ-OE2 2.66Å; R177-E185 VanDerWaalsContact CZ-OE2 3.31Å; R177-E185 PolarHBondContact N-O 2.88Å; R177-E185 IonicContact NH1-OE2 2.7Å; R177-E185 PolarHBondContact NH1-OE2 2.66Å; R177-E185 IonicContact NH2-OE2 3.44Å; R177-E185 PolarHBondContact NH2-OE2 2.87Å; T183-E185 PolarHBondContact O-N 3.47Å; E185-M203 HydrophobicContact CB-CE 3.44Å; E185-M203 VanDerWaalsContact CB-CE 3.44Å; E185-L205 HydrophobicContact CG-CD1 4.33Å
186Y92.5Very high85.7Confident7 Ų770.1 Ų70.13%0.02737%0.373CS..EExtended strand (participates in β ladder)trans-104.4149.6179.6-61.7-101000111I175 K176 N184 L204 V220 E224 Y225 K228I175-Y186 CarbonylContact O-C 3.55Å; I175-Y186 VanDerWaalsContact O-CA 3.23Å; I175-Y186 WeakPolarHBondContact O-CA 3.46Å; I175-Y186 WeakPolarHBondContact O-CB 3.04Å; K176-Y186 HydrophobicContact CB-CD1 3.88Å; K176-Y186 HydrophobicContact CB-CE1 3.81Å; K176-Y186 HydrophobicContact CD-CE1 4.16Å; K176-Y186 HydrophobicContact CG-CE1 4.23Å; N184-Y186 WeakPolarHBondContact O-CD2 3.38Å; N184-Y186 WeakPolarHBondContact O-CE2 3.2Å; Y186-L204 PolarHBondContact O-N 2.87Å; Y186-V220 HydrophobicContact CD1-CG1 4.44Å; Y186-V220 HydrophobicContact CE1-CG1 4.16Å; Y186-V220 HydrophobicContact CE1-CG2 4.41Å; Y186-E224 HydrophobicContact CE1-CG 4.38Å; Y186-Y225 HydrophobicContact CD1-CD2 4.46Å; Y186-K228 HydrophobicContact CE1-CB 4.29Å; Y186-K228 HydrophobicContact CE2-CB 3.74Å; Y186-K228 WeakPolarHBondContact OH-CB 3.5Å; Y186-K228 VanDerWaalsContact OH-CD 3.31Å; Y186-K228 WeakPolarHBondContact OH-CD 3.27Å
187G92.6Very high85.6Confident0 Ų071 Ų710%038%0.382CS..EExtended strand (participates in β ladder)trans-149.9-179179.800000113.5I175 H202 Y225I175-G187 VanDerWaalsContact CG1-O 3.27Å; I175-G187 WeakPolarHBondContact CG1-O 3.23Å; I175-G187 PolarHBondContact N-O 3.29Å; I175-G187 PolarHBondContact O-N 3.25Å; G187-H202 CarbonylContact C-O 3.5Å; G187-H202 WeakPolarHBondContact CA-O 3.45Å; G187-Y225 WeakPolarHBondContact O-CE2 3.49Å
188K94.4Very high85.7Confident97 Ų9775.2 Ų75.242%0.42240%0.397SS..EExtended strand (participates in β ladder)trans-123.2141.5168.4-73.5-170.3175.7-161.50110.5S173 I190 C201 H202 Y225S173-K188 WeakPolarHBondContact O-CA 3.18Å; K188-I190 PolarHBondContact O-N 2.84Å; K188-C201 CarbonylContact O-C 3.58Å; K188-C201 WeakPolarHBondContact O-CA 3.05Å; K188-C201 WeakPolarHBondContact O-CB 3.36Å; K188-H202 PolarHBondContact N-O 2.9Å; K188-H202 PolarHBondContact O-N 2.88Å; K188-Y225 HydrophobicContact CG-CE2 4.29Å
189V94.8Very high85.9Confident5 Ų572 Ų723%0.0338%0.378CS..EExtended strand (participates in β ladder)trans-69.2124174.7-177.50000110L169 V171 G172 S173 I175 M192 V199L169-V189 HydrophobicContact CD1-CG2 3.89Å; V171-V189 HydrophobicContact CG2-CG1 4.5Å; G172-V189 WeakPolarHBondContact CA-O 3.48Å; G172-V189 PolarHBondContact N-O 2.92Å; S173-V189 PolarHBondContact O-N 2.92Å; S173-V189 VanDerWaalsContact O-N 3.15Å; I175-V189 HydrophobicContact CD1-CG2 4.44Å; I175-V189 HydrophobicContact CG2-CG2 3.86Å; V189-M192 HydrophobicContact CG1-CG 3.59Å; V189-M192 HydrophobicContact CG1-SD 4.07Å; V189-V199 HydrophobicContact CB-CG1 4.33Å; V189-V199 HydrophobicContact CG1-CG1 3.84Å; V189-V199 HydrophobicContact CG2-CG1 3.74Å
190I94.4Very high86.5Confident88 Ų8870.2 Ų70.245%0.45137%0.369SS..EExtended strand (participates in β ladder)trans-91.6-45.8171.2-63162.2000110.1V171 K188 V200 H202 T209V171-I190 VanDerWaalsContact CG1-O 3.27Å; V171-I190 WeakPolarHBondContact CG1-O 3.24Å; K188-I190 PolarHBondContact O-N 2.84Å; I190-V200 PolarHBondContact N-O 2.89Å; I190-H202 HydrophobicContact CD1-CB 3.75Å; I190-H202 HydrophobicContact CG1-CB 4.18Å; I190-T209 HydrophobicContact CD1-CG2 3.67Å
191S93.2Very high87.5Confident53 Ų5368.1 Ų68.137%0.37135%0.353SS..EExtended strand (participates in β ladder)trans-151163176.7620000111V200S191-V200 PolarHBondContact N-O 3.26Å; S191-V200 PolarHBondContact O-N 2.85Å; S191-V200 WeakPolarHBondContact OG-CB 3.19Å
192M92.3Very high88.8Confident57 Ų5766.5 Ų66.528%0.28134%0.335SS..EExtended strand (participates in β ladder)trans-127.2145.5179.2-66.417158.800108.6L169 V171 V189 V199L169-M192 HydrophobicContact CB-CE 4.43Å; L169-M192 HydrophobicContact CD2-CE 3.74Å; L169-M192 HydrophobicContact CG-CE 3.74Å; L169-M192 HydrophobicContact CG-SD 4.1Å; V171-M192 HydrophobicContact CG2-CG 4.38Å; V171-M192 HydrophobicContact CG2-SD 4.41Å; V189-M192 HydrophobicContact CG1-CG 3.59Å; V189-M192 HydrophobicContact CG1-SD 4.07Å; M192-V199 HydrophobicContact CG-CG1 4.5Å
193D91.2Very high90.2Very high54 Ų5458.4 Ų58.429%0.28930%0.298SS..EExtended strand (participates in β ladder)trans-121.896.1-179.6172.7-11.2000105.8N196 C197 R198D193-N196 VanDerWaalsContact CG-ND2 3.32Å; D193-N196 WeakPolarHBondContact OD1-CB 3.49Å; D193-N196 PolarHBondContact OD1-N 3.41Å; D193-N196 PolarHBondContact OD1-ND2 2.93Å; D193-N196 PolarHBondContact OD2-ND2 3.23Å; D193-C197 PolarHBondContact O-N 2.89Å; D193-R198 HydrophobicContact CB-CB 3.98Å; D193-R198 PolarHBondContact N-O 3.39Å; D193-R198 PolarHBondContact O-N 2.99Å
194E87.1Confident91.2Very high166 Ų16659.6 Ų59.678%0.77630%0.302SS*.THydrogen-bonded Turntrans-71.4-33-172.2-62.3-177.2175.300111.4
195D89.1Confident91.6Very high159 Ų15958.1 Ų58.185%0.8529%0.294SS*.THydrogen-bonded Turntrans-67.5-39.7178.4-66.3-46.8000112.4
196N89.2Confident91.6Very high106 Ų10658.6 Ų58.657%0.56730%0.302SS*.THydrogen-bonded Turntrans-98.65.9-178.7-61.6-70.8000114.2D193 R198D193-N196 VanDerWaalsContact CG-ND2 3.32Å; D193-N196 WeakPolarHBondContact OD1-CB 3.49Å; D193-N196 PolarHBondContact OD1-N 3.41Å; D193-N196 PolarHBondContact OD1-ND2 2.93Å; D193-N196 PolarHBondContact OD2-ND2 3.23Å; N196-R198 HydrophobicContact CB-CB 4.31Å; N196-R198 HydrophobicContact CB-CG 4.24Å; N196-R198 PolarHBondContact O-N 3.28Å
197C90.3Very high91.4Very high43 Ų4366 Ų6629%0.29133%0.334SS..THydrogen-bonded Turntrans47.545-170.4-61.40000112.5D193 Q214 Y215D193-C197 PolarHBondContact O-N 2.89Å; C197-Q214 WeakPolarHBondContact O-CB 3.36Å; C197-Q214 PolarHBondContact O-N 3.5Å; C197-Y215 HydrophobicContact CB-CE2 4.41Å
198R92.4Very high91.4Very high110 Ų11071.4 Ų71.442%0.41536%0.36SS..EExtended strand (participates in β ladder)trans-116.1147.5-174.8-88179.7170.2-92.1-4.8112.2D193 N196 S211 L212D193-R198 HydrophobicContact CB-CB 3.98Å; D193-R198 PolarHBondContact N-O 3.39Å; D193-R198 PolarHBondContact O-N 2.99Å; N196-R198 HydrophobicContact CB-CB 4.31Å; N196-R198 HydrophobicContact CB-CG 4.24Å; N196-R198 PolarHBondContact O-N 3.28Å; R198-S211 PolarHBondContact NH1-O 3.36Å; R198-S211 PolarHBondContact NH1-OG 3.09Å; R198-L212 CarbonylContact C-O 3.47Å; R198-L212 WeakPolarHBondContact CA-O 3.5Å
199V93.2Very high91.3Very high1 Ų170.3 Ų70.31%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-126.1122.8-178.2-173.90000108L169 V189 M192 L212 Q214L169-V199 HydrophobicContact CD2-CG2 3.96Å; V189-V199 HydrophobicContact CB-CG1 4.33Å; V189-V199 HydrophobicContact CG1-CG1 3.84Å; V189-V199 HydrophobicContact CG2-CG1 3.74Å; M192-V199 HydrophobicContact CG-CG1 4.5Å; V199-L212 PolarHBondContact N-O 2.84Å; V199-L212 PolarHBondContact O-N 3.38Å; V199-Q214 HydrophobicContact CG2-CB 4.13Å
200V94.4Very high91.1Very high37 Ų3771.9 Ų71.922%0.22437%0.369CS..EExtended strand (participates in β ladder)trans-95.7115.2173.3-177.40000108I190 S191 T209 L210I190-V200 PolarHBondContact N-O 2.89Å; S191-V200 PolarHBondContact N-O 3.26Å; S191-V200 PolarHBondContact O-N 2.85Å; S191-V200 WeakPolarHBondContact OG-CB 3.19Å; V200-T209 HydrophobicContact CG1-CG2 3.52Å; V200-L210 WeakPolarHBondContact CA-O 3.34Å
201C92.6Very high91Very high0 Ų070.5 Ų70.50%037%0.367CS..EExtended strand (participates in β ladder)trans-131.6141.7-172.259.70000113I175 K188 T209 L210 L212I175-C201 HydrophobicContact CD1-CB 3.53Å; K188-C201 CarbonylContact O-C 3.58Å; K188-C201 WeakPolarHBondContact O-CA 3.05Å; K188-C201 WeakPolarHBondContact O-CB 3.36Å; C201-T209 CarbonylContact O-C 3.59Å; C201-T209 WeakPolarHBondContact O-CA 3.33Å; C201-L210 PolarHBondContact N-O 2.84Å; C201-L210 PolarHBondContact O-N 2.78Å; C201-L212 WeakPolarHBondContact SG-CD1 3.36Å
202H94.1Very high90.9Very high79 Ų7968.8 Ų68.837%0.36635%0.354SS..EExtended strand (participates in β ladder)trans-88.3118.9171.9-161.865.2000110G187 K188 I190 K207 T209G187-H202 CarbonylContact C-O 3.5Å; G187-H202 WeakPolarHBondContact CA-O 3.45Å; K188-H202 PolarHBondContact N-O 2.9Å; K188-H202 PolarHBondContact O-N 2.88Å; I190-H202 HydrophobicContact CD1-CB 3.75Å; I190-H202 HydrophobicContact CG1-CB 4.18Å; H202-K207 PolarHBondContact CE1-O 3.44Å; H202-T209 PolarHBondContact ND1-OG1 3.5Å; H202-T209 VanDerWaalsContact ND1-OG1 3.07Å
203M91.5Very high90.9Very high1 Ų168 Ų681%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-83.3129.1-178.7-57.7-52.8-6300110.6R177 E185 L205 S206 K207 E208 L210R177-M203 HydrophobicContact CB-CE 4.2Å; E185-M203 HydrophobicContact CB-CE 3.44Å; E185-M203 VanDerWaalsContact CB-CE 3.44Å; M203-L205 VanDerWaalsContact C-N 3.34Å; M203-L205 PolarHBondContact O-N 3.16Å; M203-S206 WeakPolarHBondContact CB-OG 3.32Å; M203-K207 WeakPolarHBondContact O-CA 3.43Å; M203-K207 PolarHBondContact O-N 2.7Å; M203-E208 PolarHBondContact N-O 3.02Å; M203-L210 HydrophobicContact CG-CD1 3.71Å; M203-L210 HydrophobicContact CG-CG 4.06Å; M203-L210 HydrophobicContact SD-CD1 4.37Å
204L90.1Very high90.9Very high64 Ų6469.2 Ų69.234%0.33536%0.358SS..THydrogen-bonded Turntrans-71.1-28.8-173.7-170.963.3000113.2Y186 Y225 R230Y186-L204 PolarHBondContact O-N 2.87Å; L204-Y225 HydrophobicContact CD2-CE1 4.1Å; L204-Y225 HydrophobicContact CD2-CE2 4.43Å; L204-R230 HydrophobicContact CD2-CG 4.23Å
205L87.3Confident91.1Very high49 Ų4970.6 Ų70.626%0.25736%0.358SS..THydrogen-bonded Turntrans-86.7-56.7-177.7-81.5157.6000112.5E185 M203 K207 I232E185-L205 HydrophobicContact CG-CD1 4.33Å; M203-L205 VanDerWaalsContact C-N 3.34Å; M203-L205 PolarHBondContact O-N 3.16Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-I232 HydrophobicContact CD2-CB 4.49Å; L205-I232 HydrophobicContact CD2-CG1 3.69Å
206S86.4Confident91.1Very high55 Ų5564.6 Ų64.639%0.38533%0.328SS..THydrogen-bonded Turntrans-74.9-20.7178.767.60000113.8M203 E208M203-S206 WeakPolarHBondContact CB-OG 3.32Å; S206-E208 PolarHBondContact O-N 2.6Å; S206-E208 WeakPolarHBondContact OG-CB 3.19Å; S206-E208 PolarHBondContact OG-N 2.93Å
207K89.4Confident91.2Very high161 Ų16160.5 Ų60.570%0.731%0.307SS*.  trans59.917.5-170.2-51.3179.4-176.4177.60113.8H202 M203 L205H202-K207 PolarHBondContact CE1-O 3.44Å; M203-K207 WeakPolarHBondContact O-CA 3.43Å; M203-K207 PolarHBondContact O-N 2.7Å; L205-K207 VanDerWaalsContact C-N 3.33Å
208E91.4Very high91.3Very high115 Ų11562.5 Ų62.554%0.53731%0.312SS..  trans-91.3148.9176.4-166.3171-167.800110.4M203 S206 L210M203-E208 PolarHBondContact N-O 3.02Å; S206-E208 PolarHBondContact O-N 2.6Å; S206-E208 WeakPolarHBondContact OG-CB 3.19Å; S206-E208 PolarHBondContact OG-N 2.93Å; E208-L210 HydrophobicContact CB-CD2 4.44Å; E208-L210 HydrophobicContact CG-CD2 3.84Å; E208-L210 HydrophobicContact CG-CG 4.43Å
209T93.1Very high91.3Very high73 Ų7359 Ų5945%0.44830%0.303SS..EExtended strand (participates in β ladder)trans-98.9110.3172.2-64.40000108.7I190 V200 C201 H202I190-T209 HydrophobicContact CD1-CG2 3.67Å; V200-T209 HydrophobicContact CG1-CG2 3.52Å; C201-T209 CarbonylContact O-C 3.59Å; C201-T209 WeakPolarHBondContact O-CA 3.33Å; H202-T209 PolarHBondContact ND1-OG1 3.5Å; H202-T209 VanDerWaalsContact ND1-OG1 3.07Å
210L90.5Very high91.2Very high38 Ų3859.5 Ų59.520%0.19931%0.305CS..EExtended strand (participates in β ladder)trans-105.8144.9-175.6-61.2178.5000111.1V200 C201 M203 E208 L212V200-L210 WeakPolarHBondContact CA-O 3.34Å; C201-L210 PolarHBondContact N-O 2.84Å; C201-L210 PolarHBondContact O-N 2.78Å; M203-L210 HydrophobicContact CG-CD1 3.71Å; M203-L210 HydrophobicContact CG-CG 4.06Å; M203-L210 HydrophobicContact SD-CD1 4.37Å; E208-L210 HydrophobicContact CB-CD2 4.44Å; E208-L210 HydrophobicContact CG-CD2 3.84Å; E208-L210 HydrophobicContact CG-CG 4.43Å; L210-L212 HydrophobicContact CB-CD2 3.98Å; L210-L212 HydrophobicContact CB-CG 4.12Å; L210-L212 HydrophobicContact CD1-CD2 4.34Å
211S92.8Very high91.1Very high59 Ų5960 Ų6041%0.41331%0.31SS..EExtended strand (participates in β ladder)trans-100.5103.9167.6-1790000109.2R198R198-S211 PolarHBondContact NH1-O 3.36Å; R198-S211 PolarHBondContact NH1-OG 3.09Å
212L91.4Very high91Very high17 Ų1764 Ų649%0.08934%0.338CS..EExtended strand (participates in β ladder)trans-105.1160.9-176.3-55.8179000110.6R177 R198 V199 C201 L210 V217R177-L212 VanDerWaalsContact CD-CD1 3.42Å; R177-L212 HydrophobicContact CG-CD1 3.72Å; R198-L212 CarbonylContact C-O 3.47Å; R198-L212 WeakPolarHBondContact CA-O 3.5Å; V199-L212 PolarHBondContact N-O 2.84Å; V199-L212 PolarHBondContact O-N 3.38Å; C201-L212 WeakPolarHBondContact SG-CD1 3.36Å; L210-L212 HydrophobicContact CB-CD2 3.98Å; L210-L212 HydrophobicContact CB-CG 4.12Å; L210-L212 HydrophobicContact CD1-CD2 4.34Å; L212-V217 HydrophobicContact CB-CG2 3.99Å; L212-V217 HydrophobicContact CD1-CG2 3.84Å
213S91.7Very high90.9Very high41 Ų4162 Ų6229%0.28734%0.336SS..EExtended strand (participates in β ladder)trans-75.7144.8165.6-177.90000110Y215 S216S213-Y215 PolarHBondContact O-N 3.09Å; S213-Y215 WeakPolarHBondContact OG-CD2 3.48Å; S213-Y215 PolarHBondContact OG-N 3.39Å; S213-S216 WeakPolarHBondContact O-CB 3.49Å; S213-S216 PolarHBondContact O-N 3.41Å
214Q91.1Very high90.8Very high80 Ų8064.9 Ų64.937%0.37435%0.35SS..G310 helixtrans-54.5-34.8173.4-175.7171.83.500112.5L169 C197 V199 S216 V217L169-Q214 HydrophobicContact CD2-CG 3.73Å; C197-Q214 WeakPolarHBondContact O-CB 3.36Å; C197-Q214 PolarHBondContact O-N 3.5Å; V199-Q214 HydrophobicContact CG2-CB 4.13Å; Q214-S216 PolarHBondContact O-N 2.88Å; Q214-V217 PolarHBondContact O-N 3.25Å
215Y90.3Very high90.8Very high195 Ų19563 Ų6377%0.76534%0.338SS*.G310 helixtrans-72.2-10.1176.7-53.8-69.6000114.2C197 S213C197-Y215 HydrophobicContact CB-CE2 4.41Å; S213-Y215 PolarHBondContact O-N 3.09Å; S213-Y215 WeakPolarHBondContact OG-CD2 3.48Å; S213-Y215 PolarHBondContact OG-N 3.39Å
216S90.5Very high91Very high32 Ų3266.8 Ų66.822%0.22436%0.358CS..G310 helixtrans-97.59.2178.7-55.30000113.2T178 S213 Q214T178-S216 PolarHBondContact N-O 3Å; S213-S216 WeakPolarHBondContact O-CB 3.49Å; S213-S216 PolarHBondContact O-N 3.41Å; Q214-S216 PolarHBondContact O-N 2.88Å
217V91Very high91Very high20 Ų2070 Ų7012%0.12137%0.367CS..EExtended strand (participates in β ladder)trans-135.5126.6-167.2178.60000110.5I175 K176 L212 Q214I175-V217 HydrophobicContact CB-CG1 3.57Å; I175-V217 HydrophobicContact CD1-CG1 3.58Å; I175-V217 HydrophobicContact CD1-CG2 4.45Å; I175-V217 HydrophobicContact CG1-CG1 4.17Å; I175-V217 HydrophobicContact CG2-CG1 3.62Å; K176-V217 WeakPolarHBondContact O-CA 3.18Å; L212-V217 HydrophobicContact CB-CG2 3.99Å; L212-V217 HydrophobicContact CD1-CG2 3.84Å; Q214-V217 PolarHBondContact O-N 3.25Å
218E91.9Very high90.9Very high86 Ų8665.4 Ų65.440%0.40235%0.347SS..EExtended strand (participates in β ladder)trans-99.3136169.9-73.5160.4-13800109.5I175 K176 T178I175-E218 CarbonylContact C-O 3.53Å; I175-E218 VanDerWaalsContact CA-O 3.24Å; I175-E218 WeakPolarHBondContact CA-O 3.28Å; I175-E218 WeakPolarHBondContact CB-O 3.44Å; K176-E218 HydrophobicContact CB-CB 4.46Å; K176-E218 PolarHBondContact N-O 3.22Å; K176-E218 IonicContact NZ-OE1 3.29Å; K176-E218 PolarHBondContact NZ-OE1 3.11Å; K176-E218 IonicContact NZ-OE2 3.47Å; K176-E218 PolarHBondContact NZ-OE2 2.79Å; K176-E218 PolarHBondContact O-N 3.4Å; T178-E218 WeakPolarHBondContact CB-OE1 3.31Å; T178-E218 WeakPolarHBondContact CG2-OE1 3.48Å; T178-E218 VanDerWaalsContact OG1-CD 3.3Å; T178-E218 PolarHBondContact OG1-OE1 3.11Å
219V93.3Very high90.5Very high37 Ų3759.9 Ų59.922%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-78.6138.5169.7-172.20000109L167 L169L167-V219 HydrophobicContact CB-CB 4.11Å; L167-V219 HydrophobicContact CB-CG1 3.87Å; L167-V219 HydrophobicContact CD2-CG1 4.47Å; L167-V219 WeakPolarHBondContact O-CB 3.36Å; L167-V219 WeakPolarHBondContact O-CG1 3.5Å; L169-V219 HydrophobicContact CB-CG2 3.75Å; L169-V219 HydrophobicContact CD1-CG2 3.74Å; L169-V219 HydrophobicContact CG-CG2 4.34Å
220V90.7Very high90.1Very high10 Ų1066.5 Ų66.56%0.06134%0.338CS..  trans-134.3142.3-170.3174.20000110.1C174 K176 Y186 E224C174-V220 WeakPolarHBondContact CB-O 3.15Å; C174-V220 PolarHBondContact O-N 2.83Å; K176-V220 HydrophobicContact CB-CG2 3.59Å; Y186-V220 HydrophobicContact CD1-CG1 4.44Å; Y186-V220 HydrophobicContact CE1-CG1 4.16Å; Y186-V220 HydrophobicContact CE1-CG2 4.41Å; V220-E224 HydrophobicContact CG1-CB 3.55Å; V220-E224 HydrophobicContact CG1-CG 3.51Å
221S92Very high89.7Confident47 Ų4765.8 Ų65.833%0.32934%0.336SS..  trans-61.5153.6178.572.90000112.4A223 E224 Y225S221-A223 PolarHBondContact O-N 3.09Å; S221-E224 PolarHBondContact O-N 3.13Å; S221-E224 PolarHBondContact OG-N 3Å; S221-Y225 WeakPolarHBondContact O-CB 3.37Å; S221-Y225 PolarHBondContact O-N 2.73Å
222S91.2Very high89.1Confident84 Ų8470.4 Ų70.459%0.58736%0.355SS*.Hα-helixtrans-56.8-38.6176.858.40000112.1L226S222-L226 VanDerWaalsContact O-CG 3.3Å; S222-L226 WeakPolarHBondContact O-CG 3.38Å; S222-L226 PolarHBondContact O-N 3.23Å
223A90.4Very high88.6Confident39 Ų3972.9 Ų72.932%0.32237%0.368SS..Hα-helixtrans-64.8-46.2177.400000112.8S221 L226 Q227S221-A223 PolarHBondContact O-N 3.09Å; A223-L226 PolarHBondContact O-N 3.25Å; A223-Q227 WeakPolarHBondContact O-CG 3.44Å; A223-Q227 PolarHBondContact O-N 3.25Å
224E90.2Very high88Confident61 Ų6172.4 Ų72.429%0.28536%0.361SS..Hα-helixtrans-67.7-40.6177175.3168.2-175.900111.6Y186 V220 S221 L226 Q227 K228Y186-E224 HydrophobicContact CE1-CG 4.38Å; V220-E224 HydrophobicContact CG1-CB 3.55Å; V220-E224 HydrophobicContact CG1-CG 3.51Å; S221-E224 PolarHBondContact O-N 3.13Å; S221-E224 PolarHBondContact OG-N 3Å; E224-L226 VanDerWaalsContact C-N 3.3Å; E224-L226 PolarHBondContact O-N 3.1Å; E224-Q227 PolarHBondContact O-N 2.96Å; E224-K228 VanDerWaalsContact CD-NZ 3.3Å; E224-K228 HydrophobicContact CG-CD 3.75Å; E224-K228 HydrophobicContact CG-CG 4.17Å; E224-K228 WeakPolarHBondContact O-CB 3.28Å; E224-K228 PolarHBondContact O-N 2.67Å; E224-K228 WeakPolarHBondContact OE1-CD 3.45Å; E224-K228 WeakPolarHBondContact OE1-CE 3.47Å; E224-K228 IonicContact OE1-NZ 3.34Å; E224-K228 PolarHBondContact OE1-NZ 3.33Å; E224-K228 IonicContact OE2-NZ 3.73Å
225Y91.1Very high87.5Confident23 Ų2373.5 Ų73.59%0.0937%0.366CS..Hα-helixtrans-57.7-41.1174.7179.8-93.5000112.2C174 Y186 G187 K188 L204 S221 G229C174-Y225 HydrophobicContact CB-CD1 4.49Å; C174-Y225 HydrophobicContact CB-CD2 3.77Å; C174-Y225 HydrophobicContact CB-CE2 4.49Å; C174-Y225 HydrophobicContact CB-CG 3.76Å; Y186-Y225 HydrophobicContact CD1-CD2 4.46Å; G187-Y225 WeakPolarHBondContact O-CE2 3.49Å; K188-Y225 HydrophobicContact CG-CE2 4.29Å; L204-Y225 HydrophobicContact CD2-CE1 4.1Å; L204-Y225 HydrophobicContact CD2-CE2 4.43Å; S221-Y225 WeakPolarHBondContact O-CB 3.37Å; S221-Y225 PolarHBondContact O-N 2.73Å; Y225-G229 WeakPolarHBondContact O-CA 3.45Å; Y225-G229 PolarHBondContact O-N 3.19Å
226L90.7Very high87.1Confident130 Ų13071.5 Ų71.568%0.68136%0.362SS*.Hα-helixtrans-70.3-39.6176.3-72.6170.6000112.9S222 A223 E224S222-L226 VanDerWaalsContact O-CG 3.3Å; S222-L226 WeakPolarHBondContact O-CG 3.38Å; S222-L226 PolarHBondContact O-N 3.23Å; A223-L226 PolarHBondContact O-N 3.25Å; E224-L226 VanDerWaalsContact C-N 3.3Å; E224-L226 PolarHBondContact O-N 3.1Å
227Q86.7Confident86.8Confident123 Ų12374.4 Ų74.458%0.57537%0.368SS*.Hα-helixtrans-73.8-44.4-179.4-72.1-176.548.200113.3A223 E224A223-Q227 WeakPolarHBondContact O-CG 3.44Å; A223-Q227 PolarHBondContact O-N 3.25Å; E224-Q227 PolarHBondContact O-N 2.96Å
228K86.6Confident86.4Confident63 Ų6376.7 Ų76.727%0.27438%0.38SS..Hα-helixtrans-103.2-24-171.6-58.6-174.2-165.4167.10113.6Y186 E224 R230 C231Y186-K228 HydrophobicContact CE1-CB 4.29Å; Y186-K228 HydrophobicContact CE2-CB 3.74Å; Y186-K228 WeakPolarHBondContact OH-CB 3.5Å; Y186-K228 VanDerWaalsContact OH-CD 3.31Å; Y186-K228 WeakPolarHBondContact OH-CD 3.27Å; E224-K228 VanDerWaalsContact CD-NZ 3.3Å; E224-K228 HydrophobicContact CG-CD 3.75Å; E224-K228 HydrophobicContact CG-CG 4.17Å; E224-K228 WeakPolarHBondContact O-CB 3.28Å; E224-K228 PolarHBondContact O-N 2.67Å; E224-K228 WeakPolarHBondContact OE1-CD 3.45Å; E224-K228 WeakPolarHBondContact OE1-CE 3.47Å; E224-K228 IonicContact OE1-NZ 3.34Å; E224-K228 PolarHBondContact OE1-NZ 3.33Å; E224-K228 IonicContact OE2-NZ 3.73Å; K228-R230 PolarHBondContact O-N 3.32Å; K228-R230 VanDerWaalsContact O-N 3.09Å; K228-C231 WeakPolarHBondContact O-CB 3.41Å; K228-C231 PolarHBondContact O-N 2.84Å
229G84.4Confident86Confident0 Ų075.5 Ų75.50%038%0.379CS..THydrogen-bonded Turntrans-61.8-23.6-171.900000115.9Y225Y225-G229 WeakPolarHBondContact O-CA 3.45Å; Y225-G229 PolarHBondContact O-N 3.19Å
230R83.9Confident85.4Confident211 Ų21180.6 Ų80.680%0.79640%0.395SS*.THydrogen-bonded Turntrans-91.50.3174.5-64.4-176.6177.7-178.30.5113.6L204 K228 I232L204-R230 HydrophobicContact CD2-CG 4.23Å; K228-R230 PolarHBondContact O-N 3.32Å; K228-R230 VanDerWaalsContact O-N 3.09Å; R230-I232 PolarHBondContact O-N 3.12Å
231C81.3Confident85.1Confident24 Ų2484.5 Ų84.516%0.16241%0.411CS..  trans-89.8104.2-172.9-165.10000112.2K228 N233 Y237K228-C231 WeakPolarHBondContact O-CB 3.41Å; K228-C231 PolarHBondContact O-N 2.84Å; C231-N233 PolarHBondContact O-N 2.98Å; C231-N233 VanDerWaalsContact O-N 3.16Å; C231-N233 VanDerWaalsContact SG-C 3.52Å; C231-N233 PolarHBondContact SG-O 3.15Å; C231-Y237 WeakPolarHBondContact SG-CB 3.49Å
232I81.6Confident84.5Confident156 Ų15690 Ų9080%0.843%0.429SS*.SBendtrans-58.7-27.3176.2-60.3166.2000112.1L205 R230L205-I232 HydrophobicContact CD2-CB 4.49Å; L205-I232 HydrophobicContact CD2-CG1 3.69Å; R230-I232 PolarHBondContact O-N 3.12Å
233N80.2Confident83.9Confident69 Ų6992.8 Ų92.837%0.36943%0.43SS..  trans-150.191.3-178.3-167.9-70.9000111.3C231 E235 K236 Y237C231-N233 PolarHBondContact O-N 2.98Å; C231-N233 VanDerWaalsContact O-N 3.16Å; C231-N233 VanDerWaalsContact SG-C 3.52Å; C231-N233 PolarHBondContact SG-O 3.15Å; N233-E235 VanDerWaalsContact C-N 3.31Å; N233-E235 PolarHBondContact O-N 3.3Å; N233-K236 HydrophobicContact CB-CB 4.26Å; N233-K236 HydrophobicContact CB-CD 4.21Å; N233-K236 HydrophobicContact CB-CG 4.43Å; N233-K236 PolarHBondContact O-N 3.32Å; N233-K236 VanDerWaalsContact O-N 3.12Å; N233-K236 WeakPolarHBondContact OD1-CB 3.27Å; N233-K236 VanDerWaalsContact OD1-CG 3.28Å; N233-K236 WeakPolarHBondContact OD1-CG 3.48Å; N233-K236 PolarHBondContact OD1-N 2.64Å; N233-Y237 PolarHBondContact O-N 2.93Å; N233-Y237 VanDerWaalsContact O-N 3.15Å
234Q79.6Confident83Confident30 Ų3095.7 Ų95.714%0.1444%0.437CS..Hα-helixtrans-53.8-43.8-177.8-168.465.441.200112.6K236 Y237 D238Q234-K236 VanDerWaalsContact C-N 3.33Å; Q234-K236 PolarHBondContact O-N 3.41Å; Q234-Y237 PolarHBondContact O-N 2.95Å; Q234-D238 PolarHBondContact NE2-OD1 2.8Å; Q234-D238 WeakPolarHBondContact O-CB 3.26Å; Q234-D238 VanDerWaalsContact O-CG 3.28Å; Q234-D238 PolarHBondContact O-N 2.8Å
235E80.7Confident81.8Confident104 Ų10498 Ų9849%0.48646%0.455SS..Hα-helixtrans-54.9-45.8177.3-80-169.5-130.400112.9N233 T239 K267N233-E235 VanDerWaalsContact C-N 3.31Å; N233-E235 PolarHBondContact O-N 3.3Å; E235-T239 VanDerWaalsContact O-CB 3.27Å; E235-T239 WeakPolarHBondContact O-CB 3.49Å; E235-T239 PolarHBondContact O-N 3.3Å; E235-T239 PolarHBondContact O-OG1 2.73Å; E235-K267 IonicContact OE2-NZ 3.79Å; E235-K267 PolarHBondContact OE2-NZ 3.11Å
236K81.5Confident80.3Confident153 Ų153102 Ų10267%0.66548%0.482SS*.Hα-helixtrans-68.1-40.5-179.9-76.5178.2-176.2-178.10111.4N233 Q234 T239 Y240N233-K236 HydrophobicContact CB-CB 4.26Å; N233-K236 HydrophobicContact CB-CD 4.21Å; N233-K236 HydrophobicContact CB-CG 4.43Å; N233-K236 PolarHBondContact O-N 3.32Å; N233-K236 VanDerWaalsContact O-N 3.12Å; N233-K236 WeakPolarHBondContact OD1-CB 3.27Å; N233-K236 VanDerWaalsContact OD1-CG 3.28Å; N233-K236 WeakPolarHBondContact OD1-CG 3.48Å; N233-K236 PolarHBondContact OD1-N 2.64Å; Q234-K236 VanDerWaalsContact C-N 3.33Å; Q234-K236 PolarHBondContact O-N 3.41Å; K236-T239 PolarHBondContact O-N 3.35Å; K236-Y240 WeakPolarHBondContact O-CB 3.45Å; K236-Y240 PolarHBondContact O-N 3.42Å
237Y84Confident78.6Confident93 Ų93103.8 Ų103.837%0.36549%0.486SS..Hα-helixtrans-64.5-47.2176.6176.8-97.4000111.8C231 N233 Q234 T239 Y240 K241C231-Y237 WeakPolarHBondContact SG-CB 3.49Å; N233-Y237 PolarHBondContact O-N 2.93Å; N233-Y237 VanDerWaalsContact O-N 3.15Å; Q234-Y237 PolarHBondContact O-N 2.95Å; Y237-T239 VanDerWaalsContact C-N 3.29Å; Y237-T239 PolarHBondContact O-N 3.19Å; Y237-Y240 WeakPolarHBondContact O-CB 3.39Å; Y237-Y240 PolarHBondContact O-N 3.19Å; Y237-Y240 VanDerWaalsContact O-N 3.09Å; Y237-K241 HydrophobicContact CE1-CD 4.01Å; Y237-K241 WeakPolarHBondContact O-CB 3.47Å; Y237-K241 PolarHBondContact O-N 3.26Å
238D83.3Confident76.9Confident67 Ų67102.9 Ų102.936%0.35849%0.489SS..Hα-helixtrans-62.8-37.6176.3-65.7-16.4000111.5Q234 Y240 K242Q234-D238 PolarHBondContact NE2-OD1 2.8Å; Q234-D238 WeakPolarHBondContact O-CB 3.26Å; Q234-D238 VanDerWaalsContact O-CG 3.28Å; Q234-D238 PolarHBondContact O-N 2.8Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; D238-K242 VanDerWaalsContact O-CB 3.27Å; D238-K242 WeakPolarHBondContact O-CB 3.27Å; D238-K242 VanDerWaalsContact O-CG 3.26Å; D238-K242 WeakPolarHBondContact O-CG 3.42Å; D238-K242 PolarHBondContact O-N 3.48Å
239T83.4Confident75Confident62 Ų62106.1 Ų106.138%0.3852%0.515SS..Hα-helixtrans-67.9-31.1174.9-54.60000112.3E235 K236 Y237 K243E235-T239 VanDerWaalsContact O-CB 3.27Å; E235-T239 WeakPolarHBondContact O-CB 3.49Å; E235-T239 PolarHBondContact O-N 3.3Å; E235-T239 PolarHBondContact O-OG1 2.73Å; K236-T239 PolarHBondContact O-N 3.35Å; Y237-T239 VanDerWaalsContact C-N 3.29Å; Y237-T239 PolarHBondContact O-N 3.19Å; T239-K243 WeakPolarHBondContact O-CG 3.4Å
240Y80.8Confident73.1Confident144 Ų144111.7 Ų111.757%0.56555%0.551SS**Hα-helixtrans-74.1-53.9174.6-179.9-90.8000110.9K236 Y237 D238 K242 K243 E244K236-Y240 WeakPolarHBondContact O-CB 3.45Å; K236-Y240 PolarHBondContact O-N 3.42Å; Y237-Y240 WeakPolarHBondContact O-CB 3.39Å; Y237-Y240 PolarHBondContact O-N 3.19Å; Y237-Y240 VanDerWaalsContact O-N 3.09Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; Y240-K242 VanDerWaalsContact C-N 3.27Å; Y240-K242 PolarHBondContact O-N 2.88Å; Y240-K243 WeakPolarHBondContact O-CA 3.42Å; Y240-K243 WeakPolarHBondContact O-CB 3.36Å; Y240-K243 PolarHBondContact O-N 3.3Å; Y240-E244 WeakPolarHBondContact CE1-OE2 3.43Å; Y240-E244 PolarHBondContact O-N 3.36Å; Y240-E244 VanDerWaalsContact O-N 3.09Å; Y240-E244 PolarHBondContact OH-OE1 3.32Å
241K83.1Confident71.2Confident92 Ų92108.8 Ų108.840%0.455%0.551SS.*Hα-helixtrans-58.1-37.7-179.5-167.3172.7-175.51750112.2Y237 K243 E244 V245Y237-K241 HydrophobicContact CE1-CD 4.01Å; Y237-K241 WeakPolarHBondContact O-CB 3.47Å; Y237-K241 PolarHBondContact O-N 3.26Å; K241-K243 VanDerWaalsContact C-N 3.3Å; K241-K243 PolarHBondContact O-N 3.33Å; K241-E244 PolarHBondContact O-N 2.82Å; K241-V245 WeakPolarHBondContact O-CG2 3.28Å; K241-V245 PolarHBondContact O-N 3.33Å
242K80.4Confident69.7Low161 Ų161113.6 Ų113.670%0.758%0.58SS**Hα-helixtrans-67.1-21.8173.4-76.6-178.4176.7-172.70114.6D238 Y240 V246D238-K242 VanDerWaalsContact O-CB 3.27Å; D238-K242 WeakPolarHBondContact O-CB 3.27Å; D238-K242 VanDerWaalsContact O-CG 3.26Å; D238-K242 WeakPolarHBondContact O-CG 3.42Å; D238-K242 PolarHBondContact O-N 3.48Å; Y240-K242 VanDerWaalsContact C-N 3.27Å; Y240-K242 PolarHBondContact O-N 2.88Å; K242-V246 WeakPolarHBondContact O-CG2 3.38Å
243K77.8Confident67.7Low144 Ų144111.5 Ų111.563%0.62658%0.576SS**Hα-helixtrans-84.6-38173.4-72.8178.3176.4-168.80112.1T239 Y240 K241 V245 V246T239-K243 WeakPolarHBondContact O-CG 3.4Å; Y240-K243 WeakPolarHBondContact O-CA 3.42Å; Y240-K243 WeakPolarHBondContact O-CB 3.36Å; Y240-K243 PolarHBondContact O-N 3.3Å; K241-K243 VanDerWaalsContact C-N 3.3Å; K241-K243 PolarHBondContact O-N 3.33Å; K243-V245 PolarHBondContact O-N 2.82Å; K243-V246 WeakPolarHBondContact O-CB 3.12Å; K243-V246 PolarHBondContact O-N 3.08Å; K243-V246 VanDerWaalsContact O-N 3.11Å
244E71.9Confident65.9Low100 Ų100115.7 Ų115.747%0.46760%0.598SS.*Hα-helixtrans-60.8-43.3-177.4-157.5164.5-141.500111.8Y240 K241 V246 H247 T248Y240-E244 WeakPolarHBondContact CE1-OE2 3.43Å; Y240-E244 PolarHBondContact O-N 3.36Å; Y240-E244 VanDerWaalsContact O-N 3.09Å; Y240-E244 PolarHBondContact OH-OE1 3.32Å; K241-E244 PolarHBondContact O-N 2.82Å; E244-V246 PolarHBondContact O-N 3.4Å; E244-H247 PolarHBondContact O-N 2.84Å; E244-H247 VanDerWaalsContact O-N 3.08Å; E244-T248 PolarHBondContact O-OG1 3.4Å
245V65.8Low64.3Low108 Ų108120.1 Ų120.166%0.65563%0.631SS**G310 helixtrans-59.3-30.3175.1175.60000113K241 K243 H247 T248K241-V245 WeakPolarHBondContact O-CG2 3.28Å; K241-V245 PolarHBondContact O-N 3.33Å; K243-V245 PolarHBondContact O-N 2.82Å; V245-H247 PolarHBondContact O-N 3.25Å; V245-T248 PolarHBondContact O-N 3.01Å
246V59.7Low62.5Low107 Ų107125.1 Ų125.165%0.64865%0.646SS**G310 helixtrans-75.8-4.3-179.6-179.70000112.5K242 K243 E244K242-V246 WeakPolarHBondContact O-CG2 3.38Å; K243-V246 WeakPolarHBondContact O-CB 3.12Å; K243-V246 PolarHBondContact O-N 3.08Å; K243-V246 VanDerWaalsContact O-N 3.11Å; E244-V246 PolarHBondContact O-N 3.4Å
247H55Low60.7Low168 Ų168125.4 Ų125.478%0.77866%0.655SS**G310 helixtrans-117.812.2176.8-70.3-10.3000113.7E244 V245E244-H247 PolarHBondContact O-N 2.84Å; E244-H247 VanDerWaalsContact O-N 3.08Å; V245-H247 PolarHBondContact O-N 3.25Å
248T50.4Low58.4Low105 Ų105126.1 Ų126.164%0.64467%0.671SS**  trans-114.461.3-179.3-45.60000112.8E244 V245E244-T248 PolarHBondContact O-OG1 3.4Å; V245-T248 PolarHBondContact O-N 3.01Å
249T46.2Very low56.9Low131 Ų131130.9 Ų130.980%0.80470%0.695SS**  trans-118.8112155.350.70000107.2
250P44.7Very low55Low116 Ų116136.1 Ų136.175%0.75372%0.715SS**  trans-87.4128.1-163.531.9-33.9000113.1
251D44.8Very low53Low150 Ų150140.4 Ų140.480%0.80273%0.731SS**  trans-162.9123.7143.2-101.8-32.8000112.4
252V49.2Very low51.1Low126 Ų126146 Ų14676%0.76476%0.755SS**  trans38.4129.3140-170.90000120.6
253P40.3Very low49.2Very low111 Ų111146.8 Ų146.872%0.72176%0.761SS**  cis-137.6-163.5-28.140.2-19.9000112.9
254L41.3Very low47.4Very low158 Ų158146.6 Ų146.683%0.82777%0.772SS**  trans-64.8135.5-176.8-6770.8000114.3
255S46.1Very low46Very low122 Ų122146.6 Ų146.685%0.85379%0.789SS**  trans-129.5144.8144.7-171.50000109.8
256R43.7Very low44.9Very low210 Ų210147.4 Ų147.479%0.79279%0.794SS**  trans-101.4126.1-171.2-65.3173.5177.1156.9-2.3110.7
257N42.5Very low43.9Very low159 Ų159149.3 Ų149.385%0.8579%0.794SS**  trans-167.1111.5139.7-94.4-23.5000109.8
258P36.5Very low43.5Very low107 Ų107151.8 Ų151.870%0.69580%0.796SS**  trans-82.7174.816836.1-34000111
259L51Low43.1Very low167 Ų167152.3 Ų152.387%0.87480%0.795SS**  trans74.4133.1-175-43.6172.9000111.9
260E43.9Very low43.2Very low172 Ų172154.2 Ų154.280%0.80480%0.795SS**  cis-132.1136.37.5-70.3-170.510100114.4K262E260-K262 PolarHBondContact O-N 3.05Å
261R39.2Very low42.7Very low235 Ų235154.7 Ų154.789%0.88780%0.798SS**  trans2096130.8-164.7-174.8-142.7144.63.2117.2
262K43.5Very low42.5Very low208 Ų208153.4 Ų153.490%0.90480%0.795SS**  trans-113138.6164.2-142.5166.6-167168.80111.5E260E260-K262 PolarHBondContact O-N 3.05Å
263E40.7Very low42Very low179 Ų179154.1 Ų154.184%0.83680%0.795SS**  trans-85.8164.4-159.8-59.5-169.1121.800115.4A265E263-A265 PolarHBondContact O-N 3.4Å
264V38.5Very low41.7Very low140 Ų140159.5 Ų159.585%0.84880%0.801SS**  trans-84.1103.2-170-179.30000111.8
265A42.2Very low41.8Very low100 Ų100158.6 Ų158.683%0.82680%0.795SS**PPolyproline II helixtrans-76.5121.4165.800000111.1E263E263-A265 PolarHBondContact O-N 3.4Å
266T44.4Very low41.2Very low124 Ų124159.7 Ų159.776%0.76179%0.791SS**PPolyproline II helixtrans-73.9144.5-179.345.40000113.6R268T266-R268 PolarHBondContact O-N 3.31Å
267K38.7Very low40.8Very low147 Ų147157.6 Ų157.664%0.63979%0.791SS**PPolyproline II helixtrans-48.4133.9170.1-58.3177.4-177.3179.70111.3E235E235-K267 IonicContact OE2-NZ 3.79Å; E235-K267 PolarHBondContact OE2-NZ 3.11Å
268R44.8Very low40.7Very low220 Ų220153.5 Ų153.583%0.8378%0.778SS**  trans-164.2140.5149-112.2173.5-166.8133.94.7112.9T266T266-R268 PolarHBondContact O-N 3.31Å
269D42.5Very low41.3Very low117 Ų117153.5 Ų153.563%0.62678%0.778SS**  trans63.8103.3150.1-50-36.4000121.5
270Q48.4Very low41.6Very low170 Ų170149.1 Ų149.179%0.79476%0.759SS**  trans71.4141.9142.2-55.9-176.337.700120V272Q270-V272 VanDerWaalsContact C-N 3.3Å; Q270-V272 PolarHBondContact O-N 3.05Å
271P35Very low43.1Very low126 Ų126141.4 Ų141.482%0.81873%0.725SS**  trans-76.983.7166.633.9-32.4000109.1N273P271-N273 PolarHBondContact O-N 3.28Å
272V39.9Very low45.5Very low123 Ų123131.6 Ų131.675%0.74569%0.688SS**  trans-57.8131.8159-179.50000107Q270 R274Q270-V272 VanDerWaalsContact C-N 3.3Å; Q270-V272 PolarHBondContact O-N 3.05Å; V272-R274 PolarHBondContact O-N 2.86Å
273N38Very low47.8Very low142 Ų142121.8 Ų121.876%0.75965%0.646SS**  trans-51.8118.1177.7-73.8-24.5000109.3P271 I275P271-N273 PolarHBondContact O-N 3.28Å; N273-I275 PolarHBondContact O-N 3.25Å
274R35.4Very low50.3Low223 Ų223115.8 Ų115.884%0.84262%0.616SS**  trans-72.681.3166.3-73.6-175.5176.3179.7-2.3107.8V272 D276V272-R274 PolarHBondContact O-N 2.86Å; R274-D276 PolarHBondContact O-N 2.83Å
275I43.2Very low52.8Low139 Ų139111.5 Ų111.571%0.71359%0.591SS**  trans-62112.6152.7-58.5173.6000104.3N273 H277N273-I275 PolarHBondContact O-N 3.25Å; I275-H277 PolarHBondContact O-N 3.47Å; I275-H277 PolarHBondContact O-ND1 3.45Å
276D33.7Very low55.3Low145 Ų145109.4 Ų109.478%0.77557%0.565SS**  trans-54.7127.6-172.2-67.2-66000110.5R274 A278R274-D276 PolarHBondContact O-N 2.83Å; D276-A278 VanDerWaalsContact C-N 3.35Å; D276-A278 PolarHBondContact O-N 3.19Å
277H34Very low57.7Low167 Ų167103.5 Ų103.577%0.77353%0.528SS*.  trans-73.289.7-170.6-64.9-15.3000110.9I275I275-H277 PolarHBondContact O-N 3.47Å; I275-H277 PolarHBondContact O-ND1 3.45Å
278A40.5Very low60.4Low72 Ų7299.2 Ų99.260%0.59551%0.508SS*.PPolyproline II helixtrans-46.8149.9150.800000109.7D276 T280D276-A278 VanDerWaalsContact C-N 3.35Å; D276-A278 PolarHBondContact O-N 3.19Å; A278-T280 PolarHBondContact O-N 2.98Å
279P49Very low62.8Low107 Ų10788.8 Ų88.870%0.69547%0.469SS*.SBendtrans-55.2123.7-15117.3-32000114.9
280T58.2Low65.4Low76 Ų7686.7 Ų86.747%0.46645%0.452SS..SBendtrans-55.8145.9-176.4-190000113.4A278A278-T280 PolarHBondContact O-N 2.98Å
281G76.2Confident67.6Low9 Ų978.7 Ų78.79%0.09342%0.415CS..  trans99.960.9178.400000112.3M283 K314 E332 R355G281-M283 PolarHBondContact O-N 3.02Å; G281-K314 VanDerWaalsContact CA-O 3.22Å; G281-K314 WeakPolarHBondContact CA-O 3.31Å; G281-E332 WeakPolarHBondContact CA-OE2 3.37Å; G281-E332 PolarHBondContact N-OE2 3.07Å; G281-R355 PolarHBondContact O-NH2 3.05Å
282W89.8Confident70.5Confident29 Ų2975.6 Ų75.611%0.1139%0.391CS..  trans-68.2-15174.165-108.3000114Y284 V289 E332 L335 T337 L350 F351W282-Y284 VanDerWaalsContact O-CD2 3.28Å; W282-Y284 WeakPolarHBondContact O-CD2 3.45Å; W282-V289 HydrophobicContact CH2-CG1 3.93Å; W282-V289 HydrophobicContact CZ3-CG1 4.08Å; W282-E332 HydrophobicContact CD2-CG 4.31Å; W282-E332 HydrophobicContact CG-CG 4.22Å; W282-E332 HydrophobicContact CZ2-CG 4.16Å; W282-E332 PolarHBondContact N-OE2 2.99Å; W282-L335 HydrophobicContact CH2-CB 3.95Å; W282-L335 HydrophobicContact CZ2-CB 4.04Å; W282-T337 HydrophobicContact CZ3-CG2 4.39Å; W282-L350 HydrophobicContact CB-CB 4.46Å; W282-L350 HydrophobicContact CE3-CD1 3.9Å; W282-L350 HydrophobicContact CZ3-CD1 4.37Å; W282-F351 HydrophobicContact CB-CE1 3.95Å; W282-F351 HydrophobicContact CB-CE2 3.68Å; W282-F351 HydrophobicContact CB-CZ 3.36Å; W282-F351 AromaticContact CD1-CZ 3.87Å; W282-F351 HydrophobicContact CG-CE2 4.1Å; W282-F351 AromaticContact CG-CZ 3.85Å; W282-F351 HydrophobicContact CG-CZ 3.85Å
283M91Very high73.1Confident3 Ų370.9 Ų70.92%0.01536%0.362CS..  trans-58.5144.5178.6-60.8-176.2-64.800112G281 I308 M311 K314 C317 E332 L335G281-M283 PolarHBondContact O-N 3.02Å; M283-I308 HydrophobicContact CB-CD1 3.81Å; M283-I308 HydrophobicContact CG-CD1 3.98Å; M283-I308 HydrophobicContact SD-CD1 4.45Å; M283-M311 VanDerWaalsContact C-SD 3.5Å; M283-M311 HydrophobicContact CB-SD 3.82Å; M283-K314 WeakPolarHBondContact CE-O 3.26Å; M283-C317 HydrophobicContact CE-CB 4.35Å; M283-C317 HydrophobicContact SD-CB 3.87Å; M283-C317 PolarHBondContact SD-SG 2.84Å; M283-E332 HydrophobicContact CE-CB 4.1Å; M283-E332 HydrophobicContact CG-CG 4.19Å; M283-E332 HydrophobicContact SD-CB 4.11Å; M283-E332 HydrophobicContact SD-CG 4.43Å; M283-L335 HydrophobicContact SD-CD1 4.31Å
284Y92.1Very high75.7Confident52 Ų5272.1 Ų72.120%0.20436%0.355CS..  trans-142.2152.7170.5-79.4-88.2000109.5W282 V287 I308 M348 L350 R355W282-Y284 VanDerWaalsContact O-CD2 3.28Å; W282-Y284 WeakPolarHBondContact O-CD2 3.45Å; Y284-V287 WeakPolarHBondContact O-CB 3.2Å; Y284-I308 WeakPolarHBondContact O-CB 3.24Å; Y284-M348 WeakPolarHBondContact CB-SD 3.36Å; Y284-M348 HydrophobicContact CD1-SD 3.94Å; Y284-M348 HydrophobicContact CD2-SD 4.15Å; Y284-M348 HydrophobicContact CG-SD 3.55Å; Y284-M348 VanDerWaalsContact CG-SD 3.55Å; Y284-L350 HydrophobicContact CD2-CD2 4.02Å; Y284-R355 HydrophobicContact CE2-CG 3.96Å; Y284-R355 VanDerWaalsContact OH-CG 3.28Å; Y284-R355 WeakPolarHBondContact OH-CG 3.31Å; Y284-R355 PolarHBondContact OH-NE 2.93Å
285P92.5Very high78.3Confident50 Ų5071.1 Ų71.133%0.32535%0.352SS..THydrogen-bonded Turntrans-61.1150.9174.9-21.634.6000112.4V287 M311P285-V287 PolarHBondContact O-N 3.1Å; P285-M311 HydrophobicContact CG-CE 4.32Å
286M93.4Very high80.5Confident57 Ų5768.9 Ų68.928%0.28134%0.335SS..THydrogen-bonded Turntrans58.96.5-179.1-49.1-54.4161.600116.3I308 Y390 V391M286-I308 WeakPolarHBondContact CA-O 3.48Å; M286-I308 PolarHBondContact N-O 3.07Å; M286-Y390 HydrophobicContact CB-CD2 4.36Å; M286-Y390 HydrophobicContact CB-CE2 3.83Å; M286-V391 PolarHBondContact O-N 2.83Å
287V94.8Very high83.1Confident0 Ų064.4 Ų64.40%032%0.318CS..BIsolated β-bridgetrans-72134.2168.7171.60000110.6Y284 P285 V289 R307 I308 M348 L350 A388Y284-V287 WeakPolarHBondContact O-CB 3.2Å; P285-V287 PolarHBondContact O-N 3.1Å; V287-V289 HydrophobicContact CG1-CG1 4.26Å; V287-R307 WeakPolarHBondContact O-CA 3.43Å; V287-I308 PolarHBondContact O-N 3.44Å; V287-M348 HydrophobicContact CG2-CB 3.98Å; V287-M348 HydrophobicContact CG2-CG 4.37Å; V287-M348 HydrophobicContact CG2-SD 3.91Å; V287-L350 HydrophobicContact CG1-CD2 4.41Å; V287-L350 HydrophobicContact CG2-CD2 4.14Å; V287-A388 HydrophobicContact CG1-CB 3.49Å; V287-A388 VanDerWaalsContact CG1-CB 3.49Å
288R95.6Very high85.7Confident56 Ų5666.5 Ų66.521%0.21133%0.325CS..EExtended strand (participates in β ladder)trans-80.7131.5175.4-150.5174.1-166.8152.211.1111.5G306 D322 V338 E389 V391R288-G306 CarbonylContact C-O 3.52Å; R288-G306 WeakPolarHBondContact CA-O 3.28Å; R288-G306 WeakPolarHBondContact CG-O 3.32Å; R288-D322 IonicContact CZ-OD1 3.6Å; R288-D322 IonicContact CZ-OD2 3.7Å; R288-D322 IonicContact NE-OD1 3.75Å; R288-D322 IonicContact NE-OD2 3.74Å; R288-D322 IonicContact NH2-OD1 2.69Å; R288-D322 PolarHBondContact NH2-OD1 2.88Å; R288-D322 IonicContact NH2-OD2 2.84Å; R288-D322 PolarHBondContact NH2-OD2 2.88Å; R288-V338 HydrophobicContact CB-CB 4.14Å; R288-V338 HydrophobicContact CB-CG1 4.45Å; R288-V338 HydrophobicContact CG-CB 4.34Å; R288-V338 HydrophobicContact CG-CG1 4.36Å; R288-V338 WeakPolarHBondContact O-CB 3.22Å; R288-V338 PolarHBondContact O-N 2.88Å; R288-E389 HydrophobicContact CB-CB 3.95Å; R288-E389 HydrophobicContact CB-CG 4.2Å; R288-E389 WeakPolarHBondContact CB-O 3.42Å; R288-E389 WeakPolarHBondContact CD-OE1 3Å; R288-E389 IonicContact CZ-OE1 2.73Å; R288-E389 PolarHBondContact N-O 2.92Å; R288-E389 IonicContact NE-OE1 3.72Å; R288-E389 IonicContact NH1-OE1 3.7Å; R288-E389 PolarHBondContact NH1-OE1 3.32Å; R288-V391 HydrophobicContact CB-CG2 4.04Å; R288-V391 HydrophobicContact CG-CG2 4.38Å
289V96.1Very high88Confident1 Ų164.1 Ų64.11%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-133.8157.6-173.9-67.40000111.5W282 V287 K305 G306 I308 V319 L335 E336 V338W282-V289 HydrophobicContact CH2-CG1 3.93Å; W282-V289 HydrophobicContact CZ3-CG1 4.08Å; V287-V289 HydrophobicContact CG1-CG1 4.26Å; V289-K305 WeakPolarHBondContact O-CA 3.46Å; V289-G306 PolarHBondContact N-O 2.86Å; V289-G306 PolarHBondContact O-N 2.59Å; V289-I308 HydrophobicContact CG1-CD1 3.91Å; V289-I308 HydrophobicContact CG1-CG1 4.02Å; V289-I308 HydrophobicContact CG2-CG1 4.05Å; V289-V319 HydrophobicContact CG2-CG1 4.02Å; V289-V319 HydrophobicContact CG2-CG2 4.4Å; V289-L335 HydrophobicContact CB-CB 4.37Å; V289-L335 HydrophobicContact CB-CD1 4.34Å; V289-L335 HydrophobicContact CB-CD2 4.15Å; V289-L335 HydrophobicContact CG1-CD1 4.32Å; V289-L335 HydrophobicContact CG2-CD1 4.15Å; V289-L335 HydrophobicContact CG2-CD2 3.9Å; V289-E336 CarbonylContact C-O 3.57Å; V289-E336 WeakPolarHBondContact CA-O 3.41Å; V289-V338 VanDerWaalsContact C-CG2 3.44Å
290R96Very high90Very high74 Ų7466 Ų6628%0.27931%0.305SS..EExtended strand (participates in β ladder)trans-116.2133.1171.1-169-165.4-50.9146.311.1109.6K304 L335 E336 V338R290-K304 WeakPolarHBondContact CA-O 3.49Å; R290-L335 CarbonylContact O-C 3.58Å; R290-L335 WeakPolarHBondContact O-CA 3.21Å; R290-E336 HydrophobicContact CB-CB 4.33Å; R290-E336 WeakPolarHBondContact CD-OE2 3.23Å; R290-E336 IonicContact CZ-OE1 2.73Å; R290-E336 VanDerWaalsContact CZ-OE1 3.26Å; R290-E336 IonicContact CZ-OE2 2.6Å; R290-E336 VanDerWaalsContact CZ-OE2 3.29Å; R290-E336 PolarHBondContact N-O 3.13Å; R290-E336 IonicContact NE-OE2 2.61Å; R290-E336 IonicContact NH1-OE1 3.23Å; R290-E336 PolarHBondContact NH1-OE1 2.98Å; R290-E336 IonicContact NH1-OE2 3.82Å; R290-E336 PolarHBondContact NH1-OE2 3.04Å; R290-E336 IonicContact NH2-OE1 2.95Å; R290-E336 PolarHBondContact NH2-OE1 2.83Å; R290-E336 PolarHBondContact O-N 2.68Å; R290-V338 HydrophobicContact CB-CG2 4.01Å
291F96.3Very high91.7Very high1 Ų163.6 Ų63.60%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-84.1122.3179.2-170.7-83.8000111.4D293 Y296 F301 K303 K304 F321 L327 V330 Q334 L335F291-D293 HydrophobicContact CE1-CB 3.86Å; F291-D293 WeakPolarHBondContact CE1-O 3.17Å; F291-D293 HydrophobicContact CZ-CB 4.08Å; F291-Y296 HydrophobicContact CE1-CD1 4.25Å; F291-Y296 HydrophobicContact CE1-CG 4.37Å; F291-Y296 AromaticContact CZ-CD1 3.76Å; F291-Y296 HydrophobicContact CZ-CD1 3.76Å; F291-Y296 AromaticContact CZ-CG 3.79Å; F291-Y296 HydrophobicContact CZ-CG 3.79Å; F291-F301 HydrophobicContact CB-CB 4.49Å; F291-F301 HydrophobicContact CD1-CB 3.66Å; F291-F301 HydrophobicContact CE1-CB 4Å; F291-F301 HydrophobicContact CG-CB 4.06Å; F291-K303 PolarHBondContact O-N 2.92Å; F291-K304 PolarHBondContact N-O 2.98Å; F291-F321 HydrophobicContact CB-CE1 3.7Å; F291-F321 HydrophobicContact CB-CZ 3.76Å; F291-F321 HydrophobicContact CD2-CZ 4.08Å; F291-F321 HydrophobicContact CG-CE1 4.46Å; F291-F321 HydrophobicContact CG-CZ 4.05Å; F291-L327 HydrophobicContact CD2-CD2 4.35Å; F291-L327 HydrophobicContact CE2-CD2 3.92Å; F291-L327 HydrophobicContact CZ-CD2 4.42Å; F291-V330 HydrophobicContact CD2-CG1 4.04Å; F291-V330 HydrophobicContact CE2-CG1 3.85Å; F291-V330 HydrophobicContact CE2-CG2 4.27Å; F291-Q334 CarbonylContact C-O 3.59Å; F291-Q334 WeakPolarHBondContact CA-O 3.48Å; F291-Q334 HydrophobicContact CD2-CB 4.45Å; F291-Q334 HydrophobicContact CE2-CB 3.93Å; F291-Q334 HydrophobicContact CZ-CB 4.2Å; F291-L335 HydrophobicContact CB-CD2 4.33Å; F291-L335 HydrophobicContact CD2-CD2 4.01Å
292I95.3Very high92.5Very high61 Ų6166.6 Ų66.631%0.31330%0.297SS..  trans-111.5-9.7-169.255.1165000115.5R294 Y302 Q334 E336I292-R294 PolarHBondContact O-N 3.39Å; I292-R294 VanDerWaalsContact O-N 3.16Å; I292-Y302 VanDerWaalsContact O-CD2 3.26Å; I292-Y302 WeakPolarHBondContact O-CD2 3.32Å; I292-Y302 WeakPolarHBondContact O-CE2 3.32Å; I292-Q334 WeakPolarHBondContact CG1-O 3.06Å; I292-Q334 PolarHBondContact N-O 3.05Å; I292-E336 HydrophobicContact CD1-CB 4.39Å; I292-E336 HydrophobicContact CG2-CB 3.59Å; I292-E336 HydrophobicContact CG2-CG 4.39Å; I292-E336 WeakPolarHBondContact CG2-OE2 3.37Å
293D93.3Very high92.7Very high25 Ų2571.5 Ų71.513%0.13432%0.319CS..  trans-75.4108.2179.1-1724.6000112.3F291 R295 Q334F291-D293 HydrophobicContact CE1-CB 3.86Å; F291-D293 WeakPolarHBondContact CE1-O 3.17Å; F291-D293 HydrophobicContact CZ-CB 4.08Å; D293-R295 VanDerWaalsContact C-N 3.26Å; D293-R295 PolarHBondContact O-N 3.48Å; D293-R295 WeakPolarHBondContact OD1-CB 3.28Å; D293-R295 PolarHBondContact OD1-N 2.87Å; D293-R295 IonicContact OD1-NE 2.67Å; D293-R295 PolarHBondContact OD1-NE 3.15Å; D293-Q334 HydrophobicContact CB-CB 4.09Å; D293-Q334 HydrophobicContact CB-CG 4.02Å; D293-Q334 PolarHBondContact OD2-NE2 2.97Å
294R93.4Very high93Very high167 Ų16775 Ų7563%0.6333%0.334SS*.SBendtrans-68.2-21.4175.1-66.5-175.4-178.4-174.11.8113.8I292 G299 Y302I292-R294 PolarHBondContact O-N 3.39Å; I292-R294 VanDerWaalsContact O-N 3.16Å; R294-G299 WeakPolarHBondContact O-CA 3.27Å; R294-G299 PolarHBondContact O-N 2.88Å; R294-Y302 HydrophobicContact CG-CD1 3.91Å; R294-Y302 HydrophobicContact CG-CD2 3.61Å; R294-Y302 HydrophobicContact CG-CE1 3.88Å; R294-Y302 HydrophobicContact CG-CE2 3.61Å; R294-Y302 HydrophobicContact CG-CG 3.78Å; R294-Y302 PolarHBondContact NE-OH 3.29Å; R294-Y302 VanDerWaalsContact NE-OH 3.15Å; R294-Y302 PolarHBondContact NH2-OH 3.13Å
295R90.1Very high93.2Very high203 Ų20375.6 Ų75.677%0.76634%0.338SS*.SBendtrans-85.1-35.8-173.3-60.7172.9-68-160.42111.3D293 A297D293-R295 VanDerWaalsContact C-N 3.26Å; D293-R295 PolarHBondContact O-N 3.48Å; D293-R295 WeakPolarHBondContact OD1-CB 3.28Å; D293-R295 PolarHBondContact OD1-N 2.87Å; D293-R295 IonicContact OD1-NE 2.67Å; D293-R295 PolarHBondContact OD1-NE 3.15Å; R295-A297 PolarHBondContact O-N 3.39Å
296Y89.8Confident93.3Very high92 Ų9273.2 Ų73.236%0.36132%0.322SS..G310 helixtrans-60.4133.5178.6-168.5-89.3000111.8F291 K298 G299 F301 L327F291-Y296 HydrophobicContact CE1-CD1 4.25Å; F291-Y296 HydrophobicContact CE1-CG 4.37Å; F291-Y296 AromaticContact CZ-CD1 3.76Å; F291-Y296 HydrophobicContact CZ-CD1 3.76Å; F291-Y296 AromaticContact CZ-CG 3.79Å; F291-Y296 HydrophobicContact CZ-CG 3.79Å; Y296-K298 PolarHBondContact O-N 3.2Å; Y296-G299 PolarHBondContact O-N 2.98Å; Y296-F301 HydrophobicContact CD1-CD2 4.06Å; Y296-F301 HydrophobicContact CD1-CE2 4.48Å; Y296-F301 HydrophobicContact CE1-CD2 4.12Å; Y296-F301 HydrophobicContact CE1-CE2 4.12Å; Y296-L327 HydrophobicContact CD1-CD2 4.45Å; Y296-L327 HydrophobicContact CE1-CD1 3.89Å; Y296-L327 HydrophobicContact CE1-CD2 3.92Å; Y296-L327 HydrophobicContact CE1-CG 4.48Å
297A88.4Confident93.4Very high50 Ų5074.8 Ų74.841%0.41333%0.325SS..G310 helixtrans45.338.4179.100000115.1R295 G299 K300 F301R295-A297 PolarHBondContact O-N 3.39Å; A297-G299 PolarHBondContact O-N 2.95Å; A297-K300 HydrophobicContact CB-CB 4.2Å; A297-K300 WeakPolarHBondContact O-CB 3.34Å; A297-K300 PolarHBondContact O-N 2.9Å; A297-K300 VanDerWaalsContact O-N 3.13Å; A297-F301 HydrophobicContact CB-CD2 3.95Å; A297-F301 HydrophobicContact CB-CE2 3.89Å
298K88.2Confident93.5Very high211 Ų21174.8 Ų74.892%0.91733%0.325SS*.G310 helixtrans55.927.6-175.1-54.4179.9-179177.50113.9Y296Y296-K298 PolarHBondContact O-N 3.2Å
299G89Confident93.3Very high23 Ų2375.8 Ų75.824%0.23733%0.332CS..G310 helixtrans828.7-178.800000115.2R294 Y296 A297 F301 Y302R294-G299 WeakPolarHBondContact O-CA 3.27Å; R294-G299 PolarHBondContact O-N 2.88Å; Y296-G299 PolarHBondContact O-N 2.98Å; A297-G299 PolarHBondContact O-N 2.95Å; G299-F301 PolarHBondContact O-N 3.06Å; G299-Y302 WeakPolarHBondContact O-CB 3.33Å; G299-Y302 PolarHBondContact O-N 2.86Å
300K91.6Very high93.1Very high145 Ų14580.2 Ų80.263%0.6336%0.356SS*.THydrogen-bonded Turntrans-51-33-178.8-179-177.3175-170.30114A297 K304A297-K300 HydrophobicContact CB-CB 4.2Å; A297-K300 WeakPolarHBondContact O-CB 3.34Å; A297-K300 PolarHBondContact O-N 2.9Å; A297-K300 VanDerWaalsContact O-N 3.13Å; K300-K304 VanDerWaalsContact O-CE 3.32Å; K300-K304 WeakPolarHBondContact O-CE 3.5Å
301F93Very high92.7Very high27 Ų2780 Ų8012%0.11836%0.359CS..THydrogen-bonded Turntrans-102.4-1.4-178.4-57.9-81.1000113.5F291 Y296 A297 G299 K303 K304 F321 L327F291-F301 HydrophobicContact CB-CB 4.49Å; F291-F301 HydrophobicContact CD1-CB 3.66Å; F291-F301 HydrophobicContact CE1-CB 4Å; F291-F301 HydrophobicContact CG-CB 4.06Å; Y296-F301 HydrophobicContact CD1-CD2 4.06Å; Y296-F301 HydrophobicContact CD1-CE2 4.48Å; Y296-F301 HydrophobicContact CE1-CD2 4.12Å; Y296-F301 HydrophobicContact CE1-CE2 4.12Å; A297-F301 HydrophobicContact CB-CD2 3.95Å; A297-F301 HydrophobicContact CB-CE2 3.89Å; G299-F301 PolarHBondContact O-N 3.06Å; F301-K303 PolarHBondContact O-N 3.18Å; F301-K304 WeakPolarHBondContact O-CB 3.28Å; F301-K304 PolarHBondContact O-N 3.48Å; F301-F321 HydrophobicContact CB-CE1 4.4Å; F301-F321 HydrophobicContact CB-CE2 4.36Å; F301-F321 HydrophobicContact CB-CZ 3.88Å; F301-F321 AromaticContact CD1-CD2 3.77Å; F301-F321 HydrophobicContact CD1-CD2 3.77Å; F301-F321 HydrophobicContact CD1-CE1 4.42Å; F301-F321 AromaticContact CD1-CE2 3.36Å; F301-F321 HydrophobicContact CD1-CE2 3.36Å; F301-F321 HydrophobicContact CD1-CG 4.45Å; F301-F321 AromaticContact CD1-CZ 3.74Å; F301-F321 HydrophobicContact CD1-CZ 3.74Å; F301-F321 HydrophobicContact CE1-CD2 4.02Å; F301-F321 AromaticContact CE1-CE2 3.84Å; F301-F321 HydrophobicContact CE1-CE2 3.84Å; F301-F321 HydrophobicContact CG-CE2 4.07Å; F301-F321 HydrophobicContact CG-CZ 4.1Å; F301-L327 HydrophobicContact CD1-CD2 4.42Å; F301-L327 HydrophobicContact CD2-CD2 4.07Å; F301-L327 HydrophobicContact CE2-CD1 4.14Å; F301-L327 HydrophobicContact CE2-CD2 4.19Å; F301-L327 HydrophobicContact CG-CD2 4.19Å; F301-L327 HydrophobicContact CZ-CD1 4.14Å; F301-L327 HydrophobicContact CZ-CD2 4.41Å
302Y94.1Very high92.3Very high72 Ų7283.6 Ų83.628%0.28238%0.381SS..THydrogen-bonded Turntrans-62.4130.6-174.6-179.7-120.6000112I292 R294 G299 K304I292-Y302 VanDerWaalsContact O-CD2 3.26Å; I292-Y302 WeakPolarHBondContact O-CD2 3.32Å; I292-Y302 WeakPolarHBondContact O-CE2 3.32Å; R294-Y302 HydrophobicContact CG-CD1 3.91Å; R294-Y302 HydrophobicContact CG-CD2 3.61Å; R294-Y302 HydrophobicContact CG-CE1 3.88Å; R294-Y302 HydrophobicContact CG-CE2 3.61Å; R294-Y302 HydrophobicContact CG-CG 3.78Å; R294-Y302 PolarHBondContact NE-OH 3.29Å; R294-Y302 VanDerWaalsContact NE-OH 3.15Å; R294-Y302 PolarHBondContact NH2-OH 3.13Å; G299-Y302 WeakPolarHBondContact O-CB 3.33Å; G299-Y302 PolarHBondContact O-N 2.86Å; Y302-K304 PolarHBondContact O-N 2.79Å
303K93.9Very high91.8Very high132 Ų13284.1 Ų84.157%0.57439%0.39SS*.THydrogen-bonded Turntrans62.85.3-172.6-65-176.4171-169.60116F291 F301F291-K303 PolarHBondContact O-N 2.92Å; F301-K303 PolarHBondContact O-N 3.18Å
304K95.7Very high91.3Very high75 Ų7590.8 Ų90.833%0.32642%0.418SS..  trans-70.2142.6172.4-63-161171.8-155.70110.6R290 F291 K300 F301 Y302 F321 D323R290-K304 WeakPolarHBondContact CA-O 3.49Å; F291-K304 PolarHBondContact N-O 2.98Å; K300-K304 VanDerWaalsContact O-CE 3.32Å; K300-K304 WeakPolarHBondContact O-CE 3.5Å; F301-K304 WeakPolarHBondContact O-CB 3.28Å; F301-K304 PolarHBondContact O-N 3.48Å; Y302-K304 PolarHBondContact O-N 2.79Å; K304-F321 HydrophobicContact CB-CD1 3.5Å; K304-F321 VanDerWaalsContact CB-CD1 3.5Å; K304-F321 HydrophobicContact CB-CE1 3.67Å; K304-F321 HydrophobicContact CB-CG 4.48Å; K304-D323 WeakPolarHBondContact CD-OD2 3.33Å; K304-D323 WeakPolarHBondContact CE-OD2 3.16Å; K304-D323 IonicContact NZ-OD2 3.9Å; K304-D323 PolarHBondContact NZ-OD2 2.87Å
305K96.1Very high90.9Very high66 Ų6687 Ų8729%0.28741%0.41SS..EExtended strand (participates in β ladder)trans-94.2149.9173.4-81.1-168172.9-161.20110.6V289 F321 D322 V338V289-K305 WeakPolarHBondContact O-CA 3.46Å; K305-F321 WeakPolarHBondContact O-CA 3.43Å; K305-F321 WeakPolarHBondContact O-CD1 3.36Å; K305-D322 WeakPolarHBondContact CB-OD2 3.45Å; K305-D322 PolarHBondContact O-N 2.98Å; K305-V338 HydrophobicContact CD-CG1 4.24Å; K305-V338 HydrophobicContact CD-CG2 4.48Å; K305-V338 VanDerWaalsContact CE-CG1 3.46Å; K305-V338 HydrophobicContact CG-CG2 4.29Å
306G95.8Very high91Very high0 Ų078.4 Ų78.40%038%0.38CS..EExtended strand (participates in β ladder)trans-163-176172.300000111.2R288 V289 V320R288-G306 CarbonylContact C-O 3.52Å; R288-G306 WeakPolarHBondContact CA-O 3.28Å; R288-G306 WeakPolarHBondContact CG-O 3.32Å; V289-G306 PolarHBondContact N-O 2.86Å; V289-G306 PolarHBondContact O-N 2.59Å; G306-V320 CarbonylContact C-O 3.55Å; G306-V320 WeakPolarHBondContact CA-O 3.44Å
307R95.7Very high91.2Very high90 Ų9074 Ų7434%0.3436%0.363SS..EExtended strand (participates in β ladder)trans-112.4149.8168.866.9-178.3-175.3-82-6110.7V287 V319 V320V287-R307 WeakPolarHBondContact O-CA 3.43Å; R307-V319 WeakPolarHBondContact O-CA 3.26Å; R307-V320 HydrophobicContact CG-CB 4.46Å; R307-V320 PolarHBondContact N-O 2.8Å; R307-V320 PolarHBondContact O-N 3.15Å
308I95.6Very high91.5Very high0 Ų072.4 Ų72.40%035%0.348CS..EExtended strand (participates in β ladder)trans-71.3130.6165.5-62.5177.7000107.8M283 Y284 M286 V287 V289 M311 C317 V319 L335M283-I308 HydrophobicContact CB-CD1 3.81Å; M283-I308 HydrophobicContact CG-CD1 3.98Å; M283-I308 HydrophobicContact SD-CD1 4.45Å; Y284-I308 WeakPolarHBondContact O-CB 3.24Å; M286-I308 WeakPolarHBondContact CA-O 3.48Å; M286-I308 PolarHBondContact N-O 3.07Å; V287-I308 PolarHBondContact O-N 3.44Å; V289-I308 HydrophobicContact CG1-CD1 3.91Å; V289-I308 HydrophobicContact CG1-CG1 4.02Å; V289-I308 HydrophobicContact CG2-CG1 4.05Å; I308-M311 HydrophobicContact CG2-CG 4.26Å; I308-C317 HydrophobicContact CG2-CB 3.9Å; I308-V319 HydrophobicContact CG1-CG2 4.45Å; I308-L335 HydrophobicContact CD1-CD1 4.37Å
309E93.2Very high91.9Very high76 Ų7662.4 Ų62.436%0.35531%0.305SS..EExtended strand (participates in β ladder)trans-97.8-50.9178.2-175.3164.9-121.200111.1T318 V320 L326E309-T318 PolarHBondContact N-O 3.16Å; E309-V320 HydrophobicContact CB-CG2 4.08Å; E309-V320 HydrophobicContact CG-CG2 4.45Å; E309-V320 VanDerWaalsContact OE2-CG2 3.29Å; E309-V320 WeakPolarHBondContact OE2-CG2 3.49Å; E309-L326 WeakPolarHBondContact OE2-CD1 3.37Å
310D90.6Very high92.2Very high94 Ų9462.1 Ų62.150%0.50330%0.298SS..EExtended strand (participates in β ladder)trans-146.9161.4179.2-175.933.2000111.9C317 T318D310-C317 CarbonylContact O-C 3.42Å; D310-C317 VanDerWaalsContact O-CA 3.32Å; D310-C317 WeakPolarHBondContact O-CA 3.39Å; D310-C317 WeakPolarHBondContact O-CB 3.18Å; D310-T318 PolarHBondContact O-N 3.3Å
311M88.8Confident92.4Very high69 Ų6955.5 Ų55.534%0.3427%0.269SS..EExtended strand (participates in β ladder)trans-119.386.6-176.2-60.7-168.8-57.100111.9M283 P285 I308 S313 C317M283-M311 VanDerWaalsContact C-SD 3.5Å; M283-M311 HydrophobicContact CB-SD 3.82Å; P285-M311 HydrophobicContact CG-CE 4.32Å; I308-M311 HydrophobicContact CG2-CG 4.26Å; M311-S313 PolarHBondContact O-N 3.44Å; M311-S313 VanDerWaalsContact O-N 3.1Å; M311-C317 HydrophobicContact CG-CB 4.35Å
312V87.6Confident92.4Very high78 Ų7858.4 Ų58.447%0.47329%0.286SS..EExtended strand (participates in β ladder)trans-53.9-30.3178.2-173.90000113.1T316V312-T316 PolarHBondContact N-O 3.13Å; V312-T316 VanDerWaalsContact N-O 3.13Å
313S83.9Confident92.3Very high72 Ų7260.5 Ų60.550%0.50330%0.302SS..EExtended strand (participates in β ladder)trans-160.5168.9169.4-750000110.4M311 D315 T316M311-S313 PolarHBondContact O-N 3.44Å; M311-S313 VanDerWaalsContact O-N 3.1Å; S313-D315 PolarHBondContact O-N 3.21Å; S313-T316 WeakPolarHBondContact CB-OG1 3.45Å; S313-T316 PolarHBondContact N-O 3.43Å; S313-T316 PolarHBondContact N-OG1 3.2Å; S313-T316 CarbonylContact O-C 3.54Å; S313-T316 PolarHBondContact O-N 3.09Å
314K82.7Confident92.2Very high165 Ų16557.3 Ų57.372%0.71731%0.307SS*.THydrogen-bonded Turntrans-48.6-36.6-179.7-60.1-172.9-179.9-173.70114.2G281 M283G281-K314 VanDerWaalsContact CA-O 3.22Å; G281-K314 WeakPolarHBondContact CA-O 3.31Å; M283-K314 WeakPolarHBondContact CE-O 3.26Å
315D86.3Confident92Very high86 Ų8655.1 Ų55.146%0.4631%0.306SS..THydrogen-bonded Turntrans-101.4-3.8-176.3-60.56.9000113.3S313 K331 E332S313-D315 PolarHBondContact O-N 3.21Å; D315-K331 VanDerWaalsContact O-CA 3.31Å; D315-K331 WeakPolarHBondContact O-CA 3.09Å; D315-E332 PolarHBondContact O-N 3.05Å
316T91.8Very high91.9Very high24 Ų2456.1 Ų56.115%0.14731%0.313CS..EExtended strand (participates in β ladder)trans-140128.3-173.854.20000114.3V312 S313 V330 K331V312-T316 PolarHBondContact N-O 3.13Å; V312-T316 VanDerWaalsContact N-O 3.13Å; S313-T316 WeakPolarHBondContact CB-OG1 3.45Å; S313-T316 PolarHBondContact N-O 3.43Å; S313-T316 PolarHBondContact N-OG1 3.2Å; S313-T316 CarbonylContact O-C 3.54Å; S313-T316 PolarHBondContact O-N 3.09Å; T316-V330 CarbonylContact C-O 3.52Å; T316-V330 VanDerWaalsContact CA-O 3.27Å; T316-V330 WeakPolarHBondContact CA-O 3.35Å; T316-K331 HydrophobicContact CG2-CG 3.87Å
317C92.8Very high91.8Very high0 Ų056.9 Ų56.90%032%0.317CS..EExtended strand (participates in β ladder)trans-125.8171.7178.766.40000113.2M283 I308 D310 M311 N329 V330M283-C317 HydrophobicContact CE-CB 4.35Å; M283-C317 HydrophobicContact SD-CB 3.87Å; M283-C317 PolarHBondContact SD-SG 2.84Å; I308-C317 HydrophobicContact CG2-CB 3.9Å; D310-C317 CarbonylContact O-C 3.42Å; D310-C317 VanDerWaalsContact O-CA 3.32Å; D310-C317 WeakPolarHBondContact O-CA 3.39Å; D310-C317 WeakPolarHBondContact O-CB 3.18Å; M311-C317 HydrophobicContact CG-CB 4.35Å; C317-N329 PolarHBondContact O-N 3.49Å; C317-V330 PolarHBondContact N-O 2.97Å; C317-V330 PolarHBondContact O-N 2.8Å
318T95.4Very high91.7Very high16 Ų1658.3 Ų58.310%0.09833%0.328CS..EExtended strand (participates in β ladder)trans-106.2132167.4-63.60000109.1E309 D310 L326 L327 E328E309-T318 PolarHBondContact N-O 3.16Å; D310-T318 PolarHBondContact O-N 3.3Å; T318-L326 HydrophobicContact CG2-CD1 3.97Å; T318-L326 HydrophobicContact CG2-CD2 3.85Å; T318-L326 HydrophobicContact CG2-CG 3.79Å; T318-L327 WeakPolarHBondContact CA-O 3.46Å; T318-E328 HydrophobicContact CG2-CG 4.35Å
319V95.7Very high91.5Very high1 Ų162.8 Ų62.81%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-119.8127.6-174.7179.70000110.4V289 R307 I308 F321 L326 L327 V330 L335V289-V319 HydrophobicContact CG2-CG1 4.02Å; V289-V319 HydrophobicContact CG2-CG2 4.4Å; R307-V319 WeakPolarHBondContact O-CA 3.26Å; I308-V319 HydrophobicContact CG1-CG2 4.45Å; V319-F321 HydrophobicContact CG1-CE1 4.46Å; V319-F321 HydrophobicContact CG1-CE2 4.37Å; V319-F321 HydrophobicContact CG1-CZ 4.3Å; V319-L326 CarbonylContact O-C 3.45Å; V319-L327 PolarHBondContact N-O 3.02Å; V319-L327 PolarHBondContact O-N 3.01Å; V319-V330 HydrophobicContact CB-CG2 4.43Å; V319-V330 HydrophobicContact CG2-CB 4.11Å; V319-V330 HydrophobicContact CG2-CG1 4.22Å; V319-V330 HydrophobicContact CG2-CG2 4.12Å; V319-L335 HydrophobicContact CG2-CD1 4.1Å; V319-L335 HydrophobicContact CG2-CD2 4.32Å
320V96.1Very high91.5Very high17 Ų1759.2 Ų59.210%0.10334%0.336CS..EExtended strand (participates in β ladder)trans-99.8111171.7177.20000108.5G306 R307 E309 L326G306-V320 CarbonylContact C-O 3.55Å; G306-V320 WeakPolarHBondContact CA-O 3.44Å; R307-V320 HydrophobicContact CG-CB 4.46Å; R307-V320 PolarHBondContact N-O 2.8Å; R307-V320 PolarHBondContact O-N 3.15Å; E309-V320 HydrophobicContact CB-CG2 4.08Å; E309-V320 HydrophobicContact CG-CG2 4.45Å; E309-V320 VanDerWaalsContact OE2-CG2 3.29Å; E309-V320 WeakPolarHBondContact OE2-CG2 3.49Å; V320-L326 HydrophobicContact CG2-CD1 4.17Å; V320-L326 HydrophobicContact CG2-CG 4.41Å
321F96Very high91.6Very high5 Ų559.7 Ų59.72%0.02233%0.333CS..EExtended strand (participates in β ladder)trans-72.5153.3177.1-70.2-80.5000112F291 F301 K304 K305 V319 D323 G324 G325 L327F291-F321 HydrophobicContact CB-CE1 3.7Å; F291-F321 HydrophobicContact CB-CZ 3.76Å; F291-F321 HydrophobicContact CD2-CZ 4.08Å; F291-F321 HydrophobicContact CG-CE1 4.46Å; F291-F321 HydrophobicContact CG-CZ 4.05Å; F301-F321 HydrophobicContact CB-CE1 4.4Å; F301-F321 HydrophobicContact CB-CE2 4.36Å; F301-F321 HydrophobicContact CB-CZ 3.88Å; F301-F321 AromaticContact CD1-CD2 3.77Å; F301-F321 HydrophobicContact CD1-CD2 3.77Å; F301-F321 HydrophobicContact CD1-CE1 4.42Å; F301-F321 AromaticContact CD1-CE2 3.36Å; F301-F321 HydrophobicContact CD1-CE2 3.36Å; F301-F321 HydrophobicContact CD1-CG 4.45Å; F301-F321 AromaticContact CD1-CZ 3.74Å; F301-F321 HydrophobicContact CD1-CZ 3.74Å; F301-F321 HydrophobicContact CE1-CD2 4.02Å; F301-F321 AromaticContact CE1-CE2 3.84Å; F301-F321 HydrophobicContact CE1-CE2 3.84Å; F301-F321 HydrophobicContact CG-CE2 4.07Å; F301-F321 HydrophobicContact CG-CZ 4.1Å; K304-F321 HydrophobicContact CB-CD1 3.5Å; K304-F321 VanDerWaalsContact CB-CD1 3.5Å; K304-F321 HydrophobicContact CB-CE1 3.67Å; K304-F321 HydrophobicContact CB-CG 4.48Å; K305-F321 WeakPolarHBondContact O-CA 3.43Å; K305-F321 WeakPolarHBondContact O-CD1 3.36Å; V319-F321 HydrophobicContact CG1-CE1 4.46Å; V319-F321 HydrophobicContact CG1-CE2 4.37Å; V319-F321 HydrophobicContact CG1-CZ 4.3Å; F321-D323 PolarHBondContact O-N 2.82Å; F321-G324 PolarHBondContact O-N 2.68Å; F321-G325 WeakPolarHBondContact CB-O 3.42Å; F321-G325 WeakPolarHBondContact CD2-O 3.46Å; F321-G325 PolarHBondContact N-O 3.44Å; F321-L327 HydrophobicContact CD2-CB 4.4Å; F321-L327 HydrophobicContact CE2-CB 3.74Å; F321-L327 HydrophobicContact CE2-CD2 3.84Å; F321-L327 HydrophobicContact CE2-CG 4.45Å; F321-L327 HydrophobicContact CZ-CD2 4.22Å
322D93.9Very high91.8Very high89 Ų8958.4 Ų58.448%0.47633%0.326SS..THydrogen-bonded Turntrans-57.1-23.1177.7-66-19.7000112.7R288 K305 G324R288-D322 IonicContact CZ-OD1 3.6Å; R288-D322 IonicContact CZ-OD2 3.7Å; R288-D322 IonicContact NE-OD1 3.75Å; R288-D322 IonicContact NE-OD2 3.74Å; R288-D322 IonicContact NH2-OD1 2.69Å; R288-D322 PolarHBondContact NH2-OD1 2.88Å; R288-D322 IonicContact NH2-OD2 2.84Å; R288-D322 PolarHBondContact NH2-OD2 2.88Å; K305-D322 WeakPolarHBondContact CB-OD2 3.45Å; K305-D322 PolarHBondContact O-N 2.98Å; D322-G324 PolarHBondContact O-N 2.9Å
323D92.1Very high92Very high116 Ų11660.7 Ų60.762%0.6233%0.331SS*.THydrogen-bonded Turntrans-76.63.9173.9-54.9-41.7000114.3K304 F321 G325K304-D323 WeakPolarHBondContact CD-OD2 3.33Å; K304-D323 WeakPolarHBondContact CE-OD2 3.16Å; K304-D323 IonicContact NZ-OD2 3.9Å; K304-D323 PolarHBondContact NZ-OD2 2.87Å; F321-D323 PolarHBondContact O-N 2.82Å; D323-G325 VanDerWaalsContact C-N 3.26Å; D323-G325 PolarHBondContact O-N 2.85Å
324G90.3Very high92.4Very high65 Ų6558 Ų5867%0.6731%0.311SS*.SBendtrans75.37.2-173.200000114.9F321 D322F321-G324 PolarHBondContact O-N 2.68Å; D322-G324 PolarHBondContact O-N 2.9Å
325G91.8Very high93Very high29 Ų2950.6 Ų50.630%0.29928%0.279SS..  trans-83.8126175.300000111.9F321 D323F321-G325 WeakPolarHBondContact CB-O 3.42Å; F321-G325 WeakPolarHBondContact CD2-O 3.46Å; F321-G325 PolarHBondContact N-O 3.44Å; D323-G325 VanDerWaalsContact C-N 3.26Å; D323-G325 PolarHBondContact O-N 2.85Å
326L93.2Very high93.3Very high86 Ų8649.9 Ų49.945%0.4527%0.273SS..EExtended strand (participates in β ladder)trans-90.7145172.8-177.2148.9000111E309 T318 V319 V320 E328E309-L326 WeakPolarHBondContact OE2-CD1 3.37Å; T318-L326 HydrophobicContact CG2-CD1 3.97Å; T318-L326 HydrophobicContact CG2-CD2 3.85Å; T318-L326 HydrophobicContact CG2-CG 3.79Å; V319-L326 CarbonylContact O-C 3.45Å; V320-L326 HydrophobicContact CG2-CD1 4.17Å; V320-L326 HydrophobicContact CG2-CG 4.41Å; L326-E328 HydrophobicContact CD2-CG 3.65Å
327L93.5Very high93.5Very high16 Ų1649.7 Ų49.78%0.08427%0.272CS..EExtended strand (participates in β ladder)trans-140.7113.9175.8-17264.7000111.2F291 Y296 F301 T318 V319 F321 V330F291-L327 HydrophobicContact CD2-CD2 4.35Å; F291-L327 HydrophobicContact CE2-CD2 3.92Å; F291-L327 HydrophobicContact CZ-CD2 4.42Å; Y296-L327 HydrophobicContact CD1-CD2 4.45Å; Y296-L327 HydrophobicContact CE1-CD1 3.89Å; Y296-L327 HydrophobicContact CE1-CD2 3.92Å; Y296-L327 HydrophobicContact CE1-CG 4.48Å; F301-L327 HydrophobicContact CD1-CD2 4.42Å; F301-L327 HydrophobicContact CD2-CD2 4.07Å; F301-L327 HydrophobicContact CE2-CD1 4.14Å; F301-L327 HydrophobicContact CE2-CD2 4.19Å; F301-L327 HydrophobicContact CG-CD2 4.19Å; F301-L327 HydrophobicContact CZ-CD1 4.14Å; F301-L327 HydrophobicContact CZ-CD2 4.41Å; T318-L327 WeakPolarHBondContact CA-O 3.46Å; V319-L327 PolarHBondContact N-O 3.02Å; V319-L327 PolarHBondContact O-N 3.01Å; F321-L327 HydrophobicContact CD2-CB 4.4Å; F321-L327 HydrophobicContact CE2-CB 3.74Å; F321-L327 HydrophobicContact CE2-CD2 3.84Å; F321-L327 HydrophobicContact CE2-CG 4.45Å; F321-L327 HydrophobicContact CZ-CD2 4.22Å; L327-V330 HydrophobicContact CB-CG2 4.11Å; L327-V330 HydrophobicContact CD2-CG2 3.64Å; L327-V330 HydrophobicContact CG-CG2 3.61Å; L327-V330 WeakPolarHBondContact O-CG2 3.33Å
328E93.8Very high93.6Very high120 Ų12049.8 Ų49.856%0.56127%0.272SS*.EExtended strand (participates in β ladder)trans-84.2162.8179.6-55.9173.8-177.300112.6T318 L326 V330T318-E328 HydrophobicContact CG2-CG 4.35Å; L326-E328 HydrophobicContact CD2-CG 3.65Å; E328-V330 PolarHBondContact O-N 3.12Å; E328-V330 VanDerWaalsContact O-N 3.15Å
329N92.4Very high93.5Very high94 Ų9450.4 Ų50.450%0.50328%0.276SS..EExtended strand (participates in β ladder)trans57.727.4170.9-62.6-83.3000114.2C317C317-N329 PolarHBondContact O-N 3.49Å
330V93.6Very high93.4Very high2 Ų250.5 Ų50.51%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-70.1130.1175.5177.10000109.1F291 T316 C317 V319 L327 E328 Q334 L335F291-V330 HydrophobicContact CD2-CG1 4.04Å; F291-V330 HydrophobicContact CE2-CG1 3.85Å; F291-V330 HydrophobicContact CE2-CG2 4.27Å; T316-V330 CarbonylContact C-O 3.52Å; T316-V330 VanDerWaalsContact CA-O 3.27Å; T316-V330 WeakPolarHBondContact CA-O 3.35Å; C317-V330 PolarHBondContact N-O 2.97Å; C317-V330 PolarHBondContact O-N 2.8Å; V319-V330 HydrophobicContact CB-CG2 4.43Å; V319-V330 HydrophobicContact CG2-CB 4.11Å; V319-V330 HydrophobicContact CG2-CG1 4.22Å; V319-V330 HydrophobicContact CG2-CG2 4.12Å; L327-V330 HydrophobicContact CB-CG2 4.11Å; L327-V330 HydrophobicContact CD2-CG2 3.64Å; L327-V330 HydrophobicContact CG-CG2 3.61Å; L327-V330 WeakPolarHBondContact O-CG2 3.33Å; E328-V330 PolarHBondContact O-N 3.12Å; E328-V330 VanDerWaalsContact O-N 3.15Å; V330-Q334 HydrophobicContact CG1-CB 4.28Å; V330-L335 HydrophobicContact CG1-CD1 3.96Å; V330-L335 HydrophobicContact CG1-CD2 3.83Å; V330-L335 HydrophobicContact CG1-CG 3.77Å
331K92.6Very high93.1Very high104 Ų10460.7 Ų60.745%0.45231%0.313SS..EExtended strand (participates in β ladder)trans-88.3148.4179.9-69179.3179.3-174.30112D315 T316 H333 Q334D315-K331 VanDerWaalsContact O-CA 3.31Å; D315-K331 WeakPolarHBondContact O-CA 3.09Å; T316-K331 HydrophobicContact CG2-CG 3.87Å; K331-H333 VanDerWaalsContact C-N 3.3Å; K331-H333 PolarHBondContact O-N 2.88Å; K331-Q334 HydrophobicContact CB-CG 4.24Å; K331-Q334 WeakPolarHBondContact O-CA 3.43Å; K331-Q334 WeakPolarHBondContact O-CB 3.26Å; K331-Q334 PolarHBondContact O-N 3.39Å
332E91.8Very high92.8Very high41 Ų4163.8 Ų63.819%0.19234%0.336CS..G310 helixtrans-44.4-51.4178.7-170.8-171.887.400112.9G281 W282 M283 D315 Q334 L335G281-E332 WeakPolarHBondContact CA-OE2 3.37Å; G281-E332 PolarHBondContact N-OE2 3.07Å; W282-E332 HydrophobicContact CD2-CG 4.31Å; W282-E332 HydrophobicContact CG-CG 4.22Å; W282-E332 HydrophobicContact CZ2-CG 4.16Å; W282-E332 PolarHBondContact N-OE2 2.99Å; M283-E332 HydrophobicContact CE-CB 4.1Å; M283-E332 HydrophobicContact CG-CG 4.19Å; M283-E332 HydrophobicContact SD-CB 4.11Å; M283-E332 HydrophobicContact SD-CG 4.43Å; D315-E332 PolarHBondContact O-N 3.05Å; E332-Q334 PolarHBondContact O-N 3.19Å; E332-L335 PolarHBondContact O-N 3.35Å
333H91.9Very high92.2Very high126 Ų12663.5 Ų63.558%0.58334%0.34SS*.G310 helixtrans-68-4.4-179.472.1-97.1000115.6K331K331-H333 VanDerWaalsContact C-N 3.3Å; K331-H333 PolarHBondContact O-N 2.88Å
334Q92.9Very high92.2Very high17 Ų1762.6 Ų62.68%0.07934%0.335CS..G310 helixtrans-93.5-1.2172.8-55.8-178.1-72.800111.7F291 I292 D293 V330 K331 E332F291-Q334 CarbonylContact C-O 3.59Å; F291-Q334 WeakPolarHBondContact CA-O 3.48Å; F291-Q334 HydrophobicContact CD2-CB 4.45Å; F291-Q334 HydrophobicContact CE2-CB 3.93Å; F291-Q334 HydrophobicContact CZ-CB 4.2Å; I292-Q334 WeakPolarHBondContact CG1-O 3.06Å; I292-Q334 PolarHBondContact N-O 3.05Å; D293-Q334 HydrophobicContact CB-CB 4.09Å; D293-Q334 HydrophobicContact CB-CG 4.02Å; D293-Q334 PolarHBondContact OD2-NE2 2.97Å; V330-Q334 HydrophobicContact CG1-CB 4.28Å; K331-Q334 HydrophobicContact CB-CG 4.24Å; K331-Q334 WeakPolarHBondContact O-CA 3.43Å; K331-Q334 WeakPolarHBondContact O-CB 3.26Å; K331-Q334 PolarHBondContact O-N 3.39Å; E332-Q334 PolarHBondContact O-N 3.19Å
335L94.4Very high92.3Very high9 Ų960.2 Ų60.25%0.04731%0.309CS..EExtended strand (participates in β ladder)trans-116.4156.5-179.1-61.1177.2000112W282 M283 V289 R290 F291 I308 V319 V330 E332W282-L335 HydrophobicContact CH2-CB 3.95Å; W282-L335 HydrophobicContact CZ2-CB 4.04Å; M283-L335 HydrophobicContact SD-CD1 4.31Å; V289-L335 HydrophobicContact CB-CB 4.37Å; V289-L335 HydrophobicContact CB-CD1 4.34Å; V289-L335 HydrophobicContact CB-CD2 4.15Å; V289-L335 HydrophobicContact CG1-CD1 4.32Å; V289-L335 HydrophobicContact CG2-CD1 4.15Å; V289-L335 HydrophobicContact CG2-CD2 3.9Å; R290-L335 CarbonylContact O-C 3.58Å; R290-L335 WeakPolarHBondContact O-CA 3.21Å; F291-L335 HydrophobicContact CB-CD2 4.33Å; F291-L335 HydrophobicContact CD2-CD2 4.01Å; I308-L335 HydrophobicContact CD1-CD1 4.37Å; V319-L335 HydrophobicContact CG2-CD1 4.1Å; V319-L335 HydrophobicContact CG2-CD2 4.32Å; V330-L335 HydrophobicContact CG1-CD1 3.96Å; V330-L335 HydrophobicContact CG1-CD2 3.83Å; V330-L335 HydrophobicContact CG1-CG 3.77Å; E332-L335 PolarHBondContact O-N 3.35Å
336E93.9Very high92.3Very high70 Ų7062.8 Ų62.833%0.32731%0.313SS..EExtended strand (participates in β ladder)trans-132.1143.8175.1179.4-166.3168.400107.2V289 R290 I292V289-E336 CarbonylContact C-O 3.57Å; V289-E336 WeakPolarHBondContact CA-O 3.41Å; R290-E336 HydrophobicContact CB-CB 4.33Å; R290-E336 WeakPolarHBondContact CD-OE2 3.23Å; R290-E336 IonicContact CZ-OE1 2.73Å; R290-E336 VanDerWaalsContact CZ-OE1 3.26Å; R290-E336 IonicContact CZ-OE2 2.6Å; R290-E336 VanDerWaalsContact CZ-OE2 3.29Å; R290-E336 PolarHBondContact N-O 3.13Å; R290-E336 IonicContact NE-OE2 2.61Å; R290-E336 IonicContact NH1-OE1 3.23Å; R290-E336 PolarHBondContact NH1-OE1 2.98Å; R290-E336 IonicContact NH1-OE2 3.82Å; R290-E336 PolarHBondContact NH1-OE2 3.04Å; R290-E336 IonicContact NH2-OE1 2.95Å; R290-E336 PolarHBondContact NH2-OE1 2.83Å; R290-E336 PolarHBondContact O-N 2.68Å; I292-E336 HydrophobicContact CD1-CB 4.39Å; I292-E336 HydrophobicContact CG2-CB 3.59Å; I292-E336 HydrophobicContact CG2-CG 4.39Å; I292-E336 WeakPolarHBondContact CG2-OE2 3.37Å
337T94.9Very high92.4Very high20 Ų2058.7 Ų58.712%0.12329%0.292CS..EExtended strand (participates in β ladder)trans-62.1153.4175.654.20000111W282 L350 Y384 A388W282-T337 HydrophobicContact CZ3-CG2 4.39Å; T337-L350 HydrophobicContact CG2-CD1 3.49Å; T337-L350 VanDerWaalsContact CG2-CD1 3.49Å; T337-Y384 PolarHBondContact OG1-O 2.69Å; T337-A388 HydrophobicContact CG2-CB 4.24Å
338V95.1Very high92.5Very high2 Ų258.7 Ų58.71%0.01229%0.291CS..  trans-118107.3171.6174.70000108.5R288 V289 R290 K305 E389R288-V338 HydrophobicContact CB-CB 4.14Å; R288-V338 HydrophobicContact CB-CG1 4.45Å; R288-V338 HydrophobicContact CG-CB 4.34Å; R288-V338 HydrophobicContact CG-CG1 4.36Å; R288-V338 WeakPolarHBondContact O-CB 3.22Å; R288-V338 PolarHBondContact O-N 2.88Å; V289-V338 VanDerWaalsContact C-CG2 3.44Å; R290-V338 HydrophobicContact CB-CG2 4.01Å; K305-V338 HydrophobicContact CD-CG1 4.24Å; K305-V338 HydrophobicContact CD-CG2 4.48Å; K305-V338 VanDerWaalsContact CE-CG1 3.46Å; K305-V338 HydrophobicContact CG-CG2 4.29Å; V338-E389 WeakPolarHBondContact CG1-OE2 3.24Å; V338-E389 WeakPolarHBondContact O-CB 3.24Å; V338-E389 PolarHBondContact O-N 2.78Å
339V93.9Very high92.5Very high29 Ų2953 Ų5318%0.17627%0.265CS..  trans-75132.8169.1178.10000109M361 Q364 Y384 F387V339-M361 HydrophobicContact CG1-SD 4.39Å; V339-Q364 VanDerWaalsContact CG1-NE2 3.26Å; V339-Y384 HydrophobicContact CG1-CD1 4.28Å; V339-Y384 HydrophobicContact CG1-CE1 4.25Å; V339-Y384 HydrophobicContact CG2-CD1 3.97Å; V339-Y384 HydrophobicContact CG2-CD2 4.33Å; V339-Y384 HydrophobicContact CG2-CG 3.77Å; V339-F387 HydrophobicContact CB-CE2 4.44Å; V339-F387 HydrophobicContact CG1-CE2 3.89Å; V339-F387 HydrophobicContact CG1-CZ 3.94Å; V339-F387 HydrophobicContact CG2-CE2 4.08Å; V339-F387 HydrophobicContact CG2-CZ 4.07Å
340P93.8Very high92.6Very high3 Ų348.5 Ų48.52%0.01924%0.241CC..  trans-68.1156.4178.126.2-30.2000111.4A345 V347 M361 E389P340-A345 HydrophobicContact CB-CB 3.53Å; P340-A345 HydrophobicContact CG-CB 3.64Å; P340-V347 HydrophobicContact CG-CG1 3.65Å; P340-M361 HydrophobicContact CG-CE 3.92Å; P340-M361 HydrophobicContact CG-SD 4.17Å; P340-E389 HydrophobicContact CB-CB 4.13Å; P340-E389 HydrophobicContact CB-CG 4.01Å; P340-E389 HydrophobicContact CG-CB 4.26Å
341R90Very high92.4Very high232 Ų23251.7 Ų51.788%0.87526%0.255SS*.SBendtrans-91-25.9179.2-76.4-175.5170.2-174.1-4.1114.2
342S87.9Confident92.2Very high70 Ų7049.9 Ų49.949%0.4927%0.265SS..SBendtrans-87.2126.4174.644.90000108.9A345 M361S342-A345 WeakPolarHBondContact O-CB 3.45Å; S342-A345 PolarHBondContact O-N 3.25Å; S342-M361 VanDerWaalsContact O-CE 3.31Å; S342-M361 WeakPolarHBondContact O-CE 3.4Å
343C82.9Confident92.1Very high83 Ų8356.3 Ų56.356%0.56129%0.293SS*.THydrogen-bonded Turntrans-53.6156150.254.10000109A345C343-A345 VanDerWaalsContact C-N 3.26Å; C343-A345 PolarHBondContact O-N 3.35Å
344N90.5Very high92Very high96 Ų9653.3 Ų53.351%0.51328%0.276SS..THydrogen-bonded Turntrans68.913.5-171.9-148.693.4000115.5R360 M361N344-R360 PolarHBondContact ND2-NE 2.95Å; N344-R360 PolarHBondContact ND2-NH2 2.86Å; N344-R360 VanDerWaalsContact OD1-CZ 3.24Å; N344-R360 PolarHBondContact OD1-NE 2.85Å; N344-R360 PolarHBondContact OD1-NH2 3.04Å; N344-M361 WeakPolarHBondContact CA-O 3.44Å; N344-M361 PolarHBondContact N-O 2.86Å
345A92.6Very high91.9Very high16 Ų1656.1 Ų56.113%0.13229%0.286CS..  trans-80.3153.916900000112.3P340 S342 C343 M361P340-A345 HydrophobicContact CB-CB 3.53Å; P340-A345 HydrophobicContact CG-CB 3.64Å; S342-A345 WeakPolarHBondContact O-CB 3.45Å; S342-A345 PolarHBondContact O-N 3.25Å; C343-A345 VanDerWaalsContact C-N 3.26Å; C343-A345 PolarHBondContact O-N 3.35Å; A345-M361 PolarHBondContact O-N 2.91Å
346E93.4Very high91.7Very high83 Ų8357 Ų5739%0.38830%0.298SS..EExtended strand (participates in β ladder)trans-78141.6169.7-68.1-179-164.900111.4V358 G359 Y390E346-V358 HydrophobicContact CB-CG1 4.3Å; E346-G359 WeakPolarHBondContact CA-O 3.48Å; E346-Y390 PolarHBondContact O-N 3.15Å
347V95.3Very high91.6Very high0 Ų061 Ų610%031%0.31CS..EExtended strand (participates in β ladder)trans-141.8142.4-177.5-69.80000110.3P340 V358 G359 M361 V373 F387 A388P340-V347 HydrophobicContact CG-CG1 3.65Å; V347-V358 CarbonylContact O-C 3.52Å; V347-V358 WeakPolarHBondContact O-CA 3.37Å; V347-G359 WeakPolarHBondContact CG2-O 3.36Å; V347-G359 PolarHBondContact N-O 2.87Å; V347-G359 PolarHBondContact O-N 3.36Å; V347-M361 HydrophobicContact CG1-CB 4.25Å; V347-M361 HydrophobicContact CG2-CB 4.34Å; V347-V373 HydrophobicContact CG2-CB 4.41Å; V347-V373 HydrophobicContact CG2-CG1 3.46Å; V347-V373 VanDerWaalsContact CG2-CG1 3.46Å; V347-V373 HydrophobicContact CG2-CG2 4.01Å; V347-F387 HydrophobicContact CB-CD2 3.86Å; V347-F387 HydrophobicContact CG1-CD2 3.72Å; V347-F387 HydrophobicContact CG1-CE2 3.99Å; V347-F387 HydrophobicContact CG2-CD2 4.31Å; V347-A388 CarbonylContact C-O 3.58Å; V347-A388 WeakPolarHBondContact CA-O 3.34Å; V347-A388 WeakPolarHBondContact CB-O 3.31Å
348M94.9Very high91.5Very high15 Ų1562.7 Ų62.77%0.07432%0.32CS..EExtended strand (participates in β ladder)trans-100.9134.9171.2-175.3168.7-77.700110.3Y284 V287 R357 V358 F387 A388 Y390Y284-M348 WeakPolarHBondContact CB-SD 3.36Å; Y284-M348 HydrophobicContact CD1-SD 3.94Å; Y284-M348 HydrophobicContact CD2-SD 4.15Å; Y284-M348 HydrophobicContact CG-SD 3.55Å; Y284-M348 VanDerWaalsContact CG-SD 3.55Å; V287-M348 HydrophobicContact CG2-CB 3.98Å; V287-M348 HydrophobicContact CG2-CG 4.37Å; V287-M348 HydrophobicContact CG2-SD 3.91Å; M348-R357 WeakPolarHBondContact CA-O 3.32Å; M348-V358 HydrophobicContact CE-CG2 3.61Å; M348-F387 VanDerWaalsContact O-CA 3.26Å; M348-F387 WeakPolarHBondContact O-CA 3.34Å; M348-F387 WeakPolarHBondContact O-CB 3.44Å; M348-A388 PolarHBondContact N-O 3.35Å; M348-A388 PolarHBondContact O-N 2.97Å; M348-A388 VanDerWaalsContact O-N 3.07Å; M348-Y390 HydrophobicContact CB-CD2 4.21Å; M348-Y390 HydrophobicContact CE-CD2 3.81Å; M348-Y390 HydrophobicContact CE-CE2 3.53Å
349V94.7Very high91.4Very high1 Ų163.1 Ų63.11%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-81.1128.5174.3-176.20000109.3F351 W354 R355 G356 R357 V375 L382V349-F351 VanDerWaalsContact CG1-O 3.26Å; V349-F351 WeakPolarHBondContact CG1-O 3.42Å; V349-W354 HydrophobicContact CG1-CB 4.23Å; V349-R355 CarbonylContact O-C 3.55Å; V349-R355 WeakPolarHBondContact O-CA 3.35Å; V349-G356 PolarHBondContact O-N 2.64Å; V349-R357 PolarHBondContact N-O 2.95Å; V349-V375 HydrophobicContact CG2-CG2 3.98Å; V349-L382 HydrophobicContact CG1-CD1 4.17Å; V349-L382 HydrophobicContact CG2-CD1 3.77Å
350L93.4Very high91.5Very high0 Ų067.8 Ų67.80%034%0.339CS..  trans-104.4-20.5-170.8-52173.2000112.9W282 Y284 V287 T337 R355 D386 A388W282-L350 HydrophobicContact CB-CB 4.46Å; W282-L350 HydrophobicContact CE3-CD1 3.9Å; W282-L350 HydrophobicContact CZ3-CD1 4.37Å; Y284-L350 HydrophobicContact CD2-CD2 4.02Å; V287-L350 HydrophobicContact CG1-CD2 4.41Å; V287-L350 HydrophobicContact CG2-CD2 4.14Å; T337-L350 HydrophobicContact CG2-CD1 3.49Å; T337-L350 VanDerWaalsContact CG2-CD1 3.49Å; L350-R355 WeakPolarHBondContact O-CD 3.37Å; L350-R355 VanDerWaalsContact O-CG 3.32Å; L350-R355 WeakPolarHBondContact O-CG 3.38Å; L350-R355 PolarHBondContact O-NH1 2.85Å; L350-D386 PolarHBondContact N-O 2.79Å; L350-A388 HydrophobicContact CD1-CB 3.99Å
351F90.3Very high91.5Very high69 Ų6967.7 Ų67.730%0.30334%0.338SS..SBendtrans-137.2167.2-175.8-67-80.4000112.7W282 V349 D385W282-F351 HydrophobicContact CB-CE1 3.95Å; W282-F351 HydrophobicContact CB-CE2 3.68Å; W282-F351 HydrophobicContact CB-CZ 3.36Å; W282-F351 AromaticContact CD1-CZ 3.87Å; W282-F351 HydrophobicContact CG-CE2 4.1Å; W282-F351 AromaticContact CG-CZ 3.85Å; W282-F351 HydrophobicContact CG-CZ 3.85Å; V349-F351 VanDerWaalsContact CG1-O 3.26Å; V349-F351 WeakPolarHBondContact CG1-O 3.42Å; F351-D385 WeakPolarHBondContact CD2-O 3.33Å; F351-D385 WeakPolarHBondContact CE2-O 3.41Å
352G88.3Confident91.6Very high65 Ų6560.1 Ų60.167%0.6732%0.315SS*.SBendtrans72-163.3178.100000115.4W354 R355G352-W354 VanDerWaalsContact C-N 3.29Å; G352-W354 PolarHBondContact O-N 2.97Å; G352-R355 VanDerWaalsContact O-CB 3.28Å; G352-R355 WeakPolarHBondContact O-CB 3.29Å; G352-R355 PolarHBondContact O-N 2.83Å
353K89.1Confident91.9Very high176 Ų17663 Ų6377%0.76532%0.32SS*.THydrogen-bonded Turntrans-59.3-34.1-173.2-177.7-169.9170.4-157.70113.8
354W90.7Very high92.3Very high64 Ų6462.5 Ų62.524%0.24231%0.31CS..THydrogen-bonded Turntrans-100.27.8-171.2-62.7102000113.8V349 G352 G356 R357 V375 D378 L380V349-W354 HydrophobicContact CG1-CB 4.23Å; G352-W354 VanDerWaalsContact C-N 3.29Å; G352-W354 PolarHBondContact O-N 2.97Å; W354-G356 PolarHBondContact O-N 2.79Å; W354-R357 VanDerWaalsContact O-CB 3.31Å; W354-R357 WeakPolarHBondContact O-CB 3.37Å; W354-R357 PolarHBondContact O-N 3.28Å; W354-R357 VanDerWaalsContact O-N 3.07Å; W354-V375 HydrophobicContact CD2-CG1 4.38Å; W354-V375 HydrophobicContact CE3-CG1 3.85Å; W354-V375 HydrophobicContact CZ3-CG1 4.43Å; W354-D378 HydrophobicContact CH2-CB 4.41Å; W354-D378 HydrophobicContact CZ2-CB 4.07Å; W354-D378 WeakPolarHBondContact CZ2-OD2 3.04Å; W354-L380 HydrophobicContact CB-CD1 3.96Å; W354-L380 HydrophobicContact CD2-CD1 4.31Å; W354-L380 HydrophobicContact CG-CD1 3.59Å
355R90.4Very high92.4Very high76 Ų7659.6 Ų59.629%0.28729%0.294SS..THydrogen-bonded Turntrans-48.9132.4179.2170.1175.2168.7126.7-7.1112.7G281 Y284 V349 L350 G352 R357G281-R355 PolarHBondContact O-NH2 3.05Å; Y284-R355 HydrophobicContact CE2-CG 3.96Å; Y284-R355 VanDerWaalsContact OH-CG 3.28Å; Y284-R355 WeakPolarHBondContact OH-CG 3.31Å; Y284-R355 PolarHBondContact OH-NE 2.93Å; V349-R355 CarbonylContact O-C 3.55Å; V349-R355 WeakPolarHBondContact O-CA 3.35Å; L350-R355 WeakPolarHBondContact O-CD 3.37Å; L350-R355 VanDerWaalsContact O-CG 3.32Å; L350-R355 WeakPolarHBondContact O-CG 3.38Å; L350-R355 PolarHBondContact O-NH1 2.85Å; G352-R355 VanDerWaalsContact O-CB 3.28Å; G352-R355 WeakPolarHBondContact O-CB 3.29Å; G352-R355 PolarHBondContact O-N 2.83Å; R355-R357 VanDerWaalsContact C-N 3.33Å
356G89.4Confident92.2Very high28 Ų2863.2 Ų63.229%0.28932%0.319SS..THydrogen-bonded Turntrans83.20-177.400000114.7V349 W354V349-G356 PolarHBondContact O-N 2.64Å; W354-G356 PolarHBondContact O-N 2.79Å
357R92.6Very high92.1Very high154 Ų15464.8 Ų64.858%0.58134%0.339SS*.  trans-92.1143.7170.9-63.6-59.7-165.41624111.5M348 V349 W354 R355 V375M348-R357 WeakPolarHBondContact CA-O 3.32Å; V349-R357 PolarHBondContact N-O 2.95Å; W354-R357 VanDerWaalsContact O-CB 3.31Å; W354-R357 WeakPolarHBondContact O-CB 3.37Å; W354-R357 PolarHBondContact O-N 3.28Å; W354-R357 VanDerWaalsContact O-N 3.07Å; R355-R357 VanDerWaalsContact C-N 3.33Å; R357-V375 HydrophobicContact CB-CG1 3.74Å; R357-V375 HydrophobicContact CG-CG1 4.37Å
358V93.1Very high91.9Very high55 Ų5571 Ų7133%0.33337%0.366SS..EExtended strand (participates in β ladder)trans-82.6149.2166.6-176.70000109E346 V347 M348 Y390E346-V358 HydrophobicContact CB-CG1 4.3Å; V347-V358 CarbonylContact O-C 3.52Å; V347-V358 WeakPolarHBondContact O-CA 3.37Å; M348-V358 HydrophobicContact CE-CG2 3.61Å; V358-Y390 HydrophobicContact CG1-CD1 4.01Å; V358-Y390 HydrophobicContact CG1-CG 4.37Å; V358-Y390 HydrophobicContact CG2-CD1 3.94Å; V358-Y390 HydrophobicContact CG2-CD2 4.21Å; V358-Y390 HydrophobicContact CG2-CE1 3.92Å; V358-Y390 HydrophobicContact CG2-CE2 4.19Å; V358-Y390 HydrophobicContact CG2-CG 4.08Å
359G93.2Very high91.7Very high10 Ų1073.5 Ų73.510%0.10338%0.384CS..EExtended strand (participates in β ladder)trans-154.3-179.8175.800000111.4E346 V347 Q374E346-G359 WeakPolarHBondContact CA-O 3.48Å; V347-G359 WeakPolarHBondContact CG2-O 3.36Å; V347-G359 PolarHBondContact N-O 2.87Å; V347-G359 PolarHBondContact O-N 3.36Å; G359-Q374 CarbonylContact C-O 3.41Å; G359-Q374 WeakPolarHBondContact CA-O 3.19Å
360R94Very high91.7Very high128 Ų12876.3 Ų76.348%0.48340%0.397SS..EExtended strand (participates in β ladder)trans-117123.4-174.3-175.6169.3170.8173.7-6.3110.1N344 L362 V373 Q374N344-R360 PolarHBondContact ND2-NE 2.95Å; N344-R360 PolarHBondContact ND2-NH2 2.86Å; N344-R360 VanDerWaalsContact OD1-CZ 3.24Å; N344-R360 PolarHBondContact OD1-NE 2.85Å; N344-R360 PolarHBondContact OD1-NH2 3.04Å; R360-L362 PolarHBondContact O-N 3.48Å; R360-V373 WeakPolarHBondContact O-CA 3.48Å; R360-Q374 PolarHBondContact N-O 3Å; R360-Q374 PolarHBondContact O-N 2.84Å
361M94.1Very high91.7Very high0 Ų076.4 Ų76.40%040%0.398CS..EExtended strand (participates in β ladder)trans-76.1115.5179-170.8177.97500110.1V339 P340 S342 N344 A345 V347 Q364 A371 F387V339-M361 HydrophobicContact CG1-SD 4.39Å; P340-M361 HydrophobicContact CG-CE 3.92Å; P340-M361 HydrophobicContact CG-SD 4.17Å; S342-M361 VanDerWaalsContact O-CE 3.31Å; S342-M361 WeakPolarHBondContact O-CE 3.4Å; N344-M361 WeakPolarHBondContact CA-O 3.44Å; N344-M361 PolarHBondContact N-O 2.86Å; A345-M361 PolarHBondContact O-N 2.91Å; V347-M361 HydrophobicContact CG1-CB 4.25Å; V347-M361 HydrophobicContact CG2-CB 4.34Å; M361-Q364 HydrophobicContact CE-CB 4.39Å; M361-Q364 HydrophobicContact SD-CB 4.5Å; M361-A371 HydrophobicContact CG-CB 4.05Å; M361-A371 HydrophobicContact SD-CB 3.95Å; M361-F387 HydrophobicContact SD-CE2 4.09Å; M361-F387 HydrophobicContact SD-CZ 4.27Å
362L93.8Very high91.9Very high74 Ų7474.7 Ų74.739%0.38739%0.393SS..EExtended strand (participates in β ladder)trans-87.6-53.1-178.6-59.1-177.3000111.8R360 V372 Q374R360-L362 PolarHBondContact O-N 3.48Å; L362-V372 HydrophobicContact CB-CG1 4.45Å; L362-V372 HydrophobicContact CD1-CG1 4.42Å; L362-V372 PolarHBondContact N-O 2.6Å; L362-Q374 HydrophobicContact CD1-CB 4.12Å; L362-Q374 HydrophobicContact CG-CB 4.27Å
363E92.9Very high92.3Very high129 Ų12971.6 Ų71.660%0.60336%0.361SS*.EExtended strand (participates in β ladder)trans-135.4150.7-174.2-167-174.5173.100110.8A371 V372E363-A371 CarbonylContact O-C 3.57Å; E363-A371 VanDerWaalsContact O-CA 3.28Å; E363-A371 WeakPolarHBondContact O-CA 3.47Å; E363-A371 WeakPolarHBondContact O-CB 3.31Å; E363-V372 HydrophobicContact CB-CB 4.12Å; E363-V372 HydrophobicContact CB-CG2 4.17Å; E363-V372 PolarHBondContact N-O 2.87Å; E363-V372 PolarHBondContact O-N 2.87Å
364Q92.7Very high92.5Very high73 Ų7366.8 Ų66.834%0.34134%0.341SS..EExtended strand (participates in β ladder)trans-132.3115.3-177.9-176.6177.33800111.7V339 M361 Y384V339-Q364 VanDerWaalsContact CG1-NE2 3.26Å; M361-Q364 HydrophobicContact CE-CB 4.39Å; M361-Q364 HydrophobicContact SD-CB 4.5Å; Q364-Y384 HydrophobicContact CG-CE1 4.12Å; Q364-Y384 WeakPolarHBondContact CG-OH 3.42Å; Q364-Y384 PolarHBondContact NE2-OH 2.8Å
365D92.1Very high92.6Very high36 Ų3663.9 Ų63.919%0.19333%0.331CS..EExtended strand (participates in β ladder)trans-96.390.7172.6-175.5-15.9000110.2S367 K368 C369 Q370D365-S367 PolarHBondContact O-N 3.27Å; D365-S367 WeakPolarHBondContact OD1-CA 3.18Å; D365-S367 VanDerWaalsContact OD1-CB 3.31Å; D365-S367 WeakPolarHBondContact OD1-CB 3.32Å; D365-S367 PolarHBondContact OD1-N 3.01Å; D365-K368 PolarHBondContact O-N 3.22Å; D365-K368 PolarHBondContact OD1-N 2.93Å; D365-K368 VanDerWaalsContact OD2-CD 3.24Å; D365-K368 WeakPolarHBondContact OD2-CD 3.43Å; D365-K368 WeakPolarHBondContact OD2-CE 3.15Å; D365-K368 VanDerWaalsContact OD2-CG 3.24Å; D365-K368 WeakPolarHBondContact OD2-CG 3.42Å; D365-K368 IonicContact OD2-NZ 3.73Å; D365-K368 PolarHBondContact OD2-NZ 2.85Å; D365-C369 PolarHBondContact O-N 2.79Å; D365-Q370 WeakPolarHBondContact CA-O 3.03Å; D365-Q370 PolarHBondContact N-O 2.81Å; D365-Q370 PolarHBondContact O-N 2.85Å
366S88.5Confident92.5Very high92 Ų9263.9 Ų63.964%0.64335%0.347SS*.THydrogen-bonded Turntrans-69.3-8177.1-167.10000114.7Y384S366-Y384 WeakPolarHBondContact CA-OH 3.47Å; S366-Y384 PolarHBondContact N-OH 3.21Å
367S90.9Very high92.5Very high116 Ų11670.1 Ų70.181%0.81137%0.374SS*.THydrogen-bonded Turntrans-86.2-30.1174.4-56.50000111.8D365D365-S367 PolarHBondContact O-N 3.27Å; D365-S367 WeakPolarHBondContact OD1-CA 3.18Å; D365-S367 VanDerWaalsContact OD1-CB 3.31Å; D365-S367 WeakPolarHBondContact OD1-CB 3.32Å; D365-S367 PolarHBondContact OD1-N 3.01Å
368K91.1Very high92.5Very high130 Ų13066.5 Ų66.557%0.56537%0.366SS*.THydrogen-bonded Turntrans-104.90.3179.5-58.6-173.1-164.379.20114D365 Q370D365-K368 PolarHBondContact O-N 3.22Å; D365-K368 PolarHBondContact OD1-N 2.93Å; D365-K368 VanDerWaalsContact OD2-CD 3.24Å; D365-K368 WeakPolarHBondContact OD2-CD 3.43Å; D365-K368 WeakPolarHBondContact OD2-CE 3.15Å; D365-K368 VanDerWaalsContact OD2-CG 3.24Å; D365-K368 WeakPolarHBondContact OD2-CG 3.42Å; D365-K368 IonicContact OD2-NZ 3.73Å; D365-K368 PolarHBondContact OD2-NZ 2.85Å; K368-Q370 VanDerWaalsContact C-N 3.27Å; K368-Q370 HydrophobicContact CB-CB 4.44Å; K368-Q370 HydrophobicContact CB-CG 4.47Å; K368-Q370 PolarHBondContact O-N 3.47Å
369C91Very high92.6Very high68 Ų6868.1 Ų68.146%0.45938%0.376SS..THydrogen-bonded Turntrans5343.4-172.6-61.20000112.8D365 S383 Y384D365-C369 PolarHBondContact O-N 2.79Å; C369-S383 WeakPolarHBondContact O-CA 3.48Å; C369-Y384 VanDerWaalsContact C-CD1 3.47Å; C369-Y384 HydrophobicContact CB-CD2 3.75Å; C369-Y384 HydrophobicContact CB-CE2 4.07Å; C369-Y384 HydrophobicContact CB-CG 4.11Å; C369-Y384 WeakPolarHBondContact O-CD1 3.39Å; C369-Y384 PolarHBondContact O-N 2.84Å
370Q93.7Very high92.6Very high60 Ų6069 Ų6928%0.2838%0.378SS..EExtended strand (participates in β ladder)trans-131152.3-176.4-75.9175.6-6.700111.2D365 K368 L382D365-Q370 WeakPolarHBondContact CA-O 3.03Å; D365-Q370 PolarHBondContact N-O 2.81Å; D365-Q370 PolarHBondContact O-N 2.85Å; K368-Q370 VanDerWaalsContact C-N 3.27Å; K368-Q370 HydrophobicContact CB-CB 4.44Å; K368-Q370 HydrophobicContact CB-CG 4.47Å; K368-Q370 PolarHBondContact O-N 3.47Å; Q370-L382 CarbonylContact C-O 3.58Å; Q370-L382 VanDerWaalsContact CA-O 3.23Å; Q370-L382 WeakPolarHBondContact CA-O 3.28Å
371A94.4Very high92.6Very high2 Ų269 Ų692%0.01738%0.381CS..EExtended strand (participates in β ladder)trans-132.8158.5172.900000111.3M361 E363 V373 K381 L382 Y384 F387M361-A371 HydrophobicContact CG-CB 4.05Å; M361-A371 HydrophobicContact SD-CB 3.95Å; E363-A371 CarbonylContact O-C 3.57Å; E363-A371 VanDerWaalsContact O-CA 3.28Å; E363-A371 WeakPolarHBondContact O-CA 3.47Å; E363-A371 WeakPolarHBondContact O-CB 3.31Å; A371-V373 HydrophobicContact CB-CG2 4.36Å; A371-K381 WeakPolarHBondContact O-CA 3.38Å; A371-L382 PolarHBondContact N-O 2.95Å; A371-L382 PolarHBondContact O-N 2.92Å; A371-Y384 HydrophobicContact CB-CE1 4.46Å; A371-F387 HydrophobicContact CB-CE1 3.71Å; A371-F387 HydrophobicContact CB-CE2 4.41Å; A371-F387 HydrophobicContact CB-CZ 3.43Å; A371-F387 VanDerWaalsContact CB-CZ 3.43Å
372V95Very high92.6Very high33 Ų3370.1 Ų70.120%0.239%0.388CS..EExtended strand (participates in β ladder)trans-99.2119.3168.8-177.70000107.5L362 E363 T379 L380L362-V372 HydrophobicContact CB-CG1 4.45Å; L362-V372 HydrophobicContact CD1-CG1 4.42Å; L362-V372 PolarHBondContact N-O 2.6Å; E363-V372 HydrophobicContact CB-CB 4.12Å; E363-V372 HydrophobicContact CB-CG2 4.17Å; E363-V372 PolarHBondContact N-O 2.87Å; E363-V372 PolarHBondContact O-N 2.87Å; V372-T379 HydrophobicContact CG1-CG2 3.42Å; V372-T379 VanDerWaalsContact CG1-CG2 3.42Å; V372-L380 CarbonylContact C-O 3.59Å; V372-L380 WeakPolarHBondContact CA-O 3.39Å
373V95Very high92.6Very high0 Ų068.2 Ų68.20%038%0.381CS..EExtended strand (participates in β ladder)trans-123.9125.7-175.6-179.40000109V347 R360 A371 V375 L380 L382V347-V373 HydrophobicContact CG2-CB 4.41Å; V347-V373 HydrophobicContact CG2-CG1 3.46Å; V347-V373 VanDerWaalsContact CG2-CG1 3.46Å; V347-V373 HydrophobicContact CG2-CG2 4.01Å; R360-V373 WeakPolarHBondContact O-CA 3.48Å; A371-V373 HydrophobicContact CB-CG2 4.36Å; V373-V375 HydrophobicContact CG1-CG2 4.05Å; V373-L380 PolarHBondContact N-O 3.1Å; V373-L380 PolarHBondContact O-N 3.04Å; V373-L382 HydrophobicContact CB-CD1 4.18Å; V373-L382 HydrophobicContact CG2-CD1 4.2Å
374Q94.9Very high92.5Very high74 Ų7463.8 Ų63.835%0.34636%0.358SS..EExtended strand (participates in β ladder)trans-87.6126.9172-177.4176.62.700109.7G359 R360 L362 A376 D378G359-Q374 CarbonylContact C-O 3.41Å; G359-Q374 WeakPolarHBondContact CA-O 3.19Å; R360-Q374 PolarHBondContact N-O 3Å; R360-Q374 PolarHBondContact O-N 2.84Å; L362-Q374 HydrophobicContact CD1-CB 4.12Å; L362-Q374 HydrophobicContact CG-CB 4.27Å; Q374-A376 VanDerWaalsContact CG-O 3.25Å; Q374-A376 WeakPolarHBondContact CG-O 3.04Å; Q374-A376 PolarHBondContact NE2-O 2.89Å; Q374-A376 VanDerWaalsContact NE2-O 3.1Å; Q374-D378 WeakPolarHBondContact CA-O 3.5Å
375V92.6Very high92.5Very high4 Ų465.8 Ų65.82%0.02437%0.372CS..EExtended strand (participates in β ladder)trans-125.9107.4176.7-179.80000107.7V349 W354 R357 V373 D377 D378 L380V349-V375 HydrophobicContact CG2-CG2 3.98Å; W354-V375 HydrophobicContact CD2-CG1 4.38Å; W354-V375 HydrophobicContact CE3-CG1 3.85Å; W354-V375 HydrophobicContact CZ3-CG1 4.43Å; R357-V375 HydrophobicContact CB-CG1 3.74Å; R357-V375 HydrophobicContact CG-CG1 4.37Å; V373-V375 HydrophobicContact CG1-CG2 4.05Å; V375-D377 PolarHBondContact O-N 2.61Å; V375-D378 PolarHBondContact N-O 3.38Å; V375-D378 PolarHBondContact O-N 3.32Å; V375-D378 VanDerWaalsContact O-N 3.13Å; V375-L380 HydrophobicContact CB-CD1 4.08Å; V375-L380 HydrophobicContact CG2-CD1 3.72Å
376A88Confident92.5Very high76 Ų7666.3 Ų66.363%0.62837%0.374SS*.THydrogen-bonded Turntrans50.2-125.4-16300000111Q374Q374-A376 VanDerWaalsContact CG-O 3.25Å; Q374-A376 WeakPolarHBondContact CG-O 3.04Å; Q374-A376 PolarHBondContact NE2-O 2.89Å; Q374-A376 VanDerWaalsContact NE2-O 3.1Å
377D89.3Confident92.8Very high158 Ų15862 Ų6285%0.84534%0.344SS*.THydrogen-bonded Turntrans-80.5-17.9179.5-56.3-53.3000113.6V375V375-D377 PolarHBondContact O-N 2.61Å
378D92.9Very high93Very high79 Ų7956.4 Ų56.442%0.42231%0.305SS..EExtended strand (participates in β ladder)trans-87.8134.9-174.2-95.5-39.4000112.1W354 Q374 V375 L380W354-D378 HydrophobicContact CH2-CB 4.41Å; W354-D378 HydrophobicContact CZ2-CB 4.07Å; W354-D378 WeakPolarHBondContact CZ2-OD2 3.04Å; Q374-D378 WeakPolarHBondContact CA-O 3.5Å; V375-D378 PolarHBondContact N-O 3.38Å; V375-D378 PolarHBondContact O-N 3.32Å; V375-D378 VanDerWaalsContact O-N 3.13Å; D378-L380 HydrophobicContact CB-CD2 4.41Å
379T93.9Very high93.2Very high88 Ų8851.5 Ų51.554%0.5428%0.284SS..EExtended strand (participates in β ladder)trans-103.2118.9175.4-61.70000110.4V372V372-T379 HydrophobicContact CG1-CG2 3.42Å; V372-T379 VanDerWaalsContact CG1-CG2 3.42Å
380L93.4Very high93.4Very high29 Ų2950.2 Ų50.215%0.15227%0.27CS..EExtended strand (participates in β ladder)trans-113.3145.1-171.5-52.5175.9000111.1W354 V372 V373 V375 D378 L382W354-L380 HydrophobicContact CB-CD1 3.96Å; W354-L380 HydrophobicContact CD2-CD1 4.31Å; W354-L380 HydrophobicContact CG-CD1 3.59Å; V372-L380 CarbonylContact C-O 3.59Å; V372-L380 WeakPolarHBondContact CA-O 3.39Å; V373-L380 PolarHBondContact N-O 3.1Å; V373-L380 PolarHBondContact O-N 3.04Å; V375-L380 HydrophobicContact CB-CD1 4.08Å; V375-L380 HydrophobicContact CG2-CD1 3.72Å; D378-L380 HydrophobicContact CB-CD2 4.41Å; L380-L382 HydrophobicContact CB-CD2 4.33Å; L380-L382 HydrophobicContact CB-CG 4.17Å
381K94.4Very high93.3Very high127 Ų12750.4 Ų50.455%0.55228%0.275SS*.EExtended strand (participates in β ladder)trans-105.6115.8168.1-157.3-171.3-165.1-157.80109.5A371A371-K381 WeakPolarHBondContact O-CA 3.38Å
382L93.9Very high93Very high25 Ų2551.1 Ų51.113%0.13128%0.283CS..EExtended strand (participates in β ladder)trans-122.6151.9-171.9-61.3179.9000110.7V349 Q370 A371 V373 L380 D386 F387V349-L382 HydrophobicContact CG1-CD1 4.17Å; V349-L382 HydrophobicContact CG2-CD1 3.77Å; Q370-L382 CarbonylContact C-O 3.58Å; Q370-L382 VanDerWaalsContact CA-O 3.23Å; Q370-L382 WeakPolarHBondContact CA-O 3.28Å; A371-L382 PolarHBondContact N-O 2.95Å; A371-L382 PolarHBondContact O-N 2.92Å; V373-L382 HydrophobicContact CB-CD1 4.18Å; V373-L382 HydrophobicContact CG2-CD1 4.2Å; L380-L382 HydrophobicContact CB-CD2 4.33Å; L380-L382 HydrophobicContact CB-CG 4.17Å; L382-D386 HydrophobicContact CB-CB 4.07Å; L382-D386 HydrophobicContact CD2-CB 4.36Å; L382-F387 HydrophobicContact CB-CD1 3.76Å; L382-F387 HydrophobicContact CB-CE1 4.24Å; L382-F387 HydrophobicContact CD1-CB 4.32Å; L382-F387 HydrophobicContact CD1-CD1 4.37Å
383S93.5Very high92.2Very high34 Ų3456.5 Ų56.524%0.23831%0.31CS..EExtended strand (participates in β ladder)trans-82.9162.3169.377.40000111.4C369 D385 D386 F387C369-S383 WeakPolarHBondContact O-CA 3.48Å; S383-D385 PolarHBondContact O-N 3.29Å; S383-D385 VanDerWaalsContact O-N 3.12Å; S383-D385 PolarHBondContact OG-N 3.42Å; S383-D386 WeakPolarHBondContact CA-OD2 3.38Å; S383-D386 VanDerWaalsContact CB-OD2 3.24Å; S383-D386 WeakPolarHBondContact CB-OD2 3.08Å; S383-D386 PolarHBondContact N-OD2 3.3Å; S383-D386 WeakPolarHBondContact O-CB 3.16Å; S383-D386 PolarHBondContact O-N 3.44Å; S383-D386 VanDerWaalsContact OG-CG 3.28Å; S383-D386 PolarHBondContact OG-OD2 2.94Å; S383-F387 WeakPolarHBondContact O-CD1 3.4Å; S383-F387 WeakPolarHBondContact O-CE1 3.25Å
384Y92.3Very high90.9Very high35 Ų3560.6 Ų60.614%0.13734%0.337CS..THydrogen-bonded Turntrans-63.5-13.1178-68.5-4.8000115T337 V339 Q364 S366 C369 A371 F387T337-Y384 PolarHBondContact OG1-O 2.69Å; V339-Y384 HydrophobicContact CG1-CD1 4.28Å; V339-Y384 HydrophobicContact CG1-CE1 4.25Å; V339-Y384 HydrophobicContact CG2-CD1 3.97Å; V339-Y384 HydrophobicContact CG2-CD2 4.33Å; V339-Y384 HydrophobicContact CG2-CG 3.77Å; Q364-Y384 HydrophobicContact CG-CE1 4.12Å; Q364-Y384 WeakPolarHBondContact CG-OH 3.42Å; Q364-Y384 PolarHBondContact NE2-OH 2.8Å; S366-Y384 WeakPolarHBondContact CA-OH 3.47Å; S366-Y384 PolarHBondContact N-OH 3.21Å; C369-Y384 VanDerWaalsContact C-CD1 3.47Å; C369-Y384 HydrophobicContact CB-CD2 3.75Å; C369-Y384 HydrophobicContact CB-CE2 4.07Å; C369-Y384 HydrophobicContact CB-CG 4.11Å; C369-Y384 WeakPolarHBondContact O-CD1 3.39Å; C369-Y384 PolarHBondContact O-N 2.84Å; A371-Y384 HydrophobicContact CB-CE1 4.46Å; Y384-F387 HydrophobicContact CD1-CE1 4.04Å; Y384-F387 AromaticContact CD1-CZ 3.93Å; Y384-F387 HydrophobicContact CD1-CZ 3.93Å; Y384-F387 HydrophobicContact CE1-CZ 4.41Å
385D91.2Very high89.3Confident116 Ų11662.3 Ų62.362%0.6235%0.353SS*.THydrogen-bonded Turntrans-90.1-18.9174.2-58.1-32.1000111.6F351 S383F351-D385 WeakPolarHBondContact CD2-O 3.33Å; F351-D385 WeakPolarHBondContact CE2-O 3.41Å; S383-D385 PolarHBondContact O-N 3.29Å; S383-D385 VanDerWaalsContact O-N 3.12Å; S383-D385 PolarHBondContact OG-N 3.42Å
386D92.9Very high87.3Confident47 Ų4769.8 Ų69.825%0.25139%0.392SS..THydrogen-bonded Turntrans-82-15.6-178.1-66.2-58.5000114.1L350 L382 S383L350-D386 PolarHBondContact N-O 2.79Å; L382-D386 HydrophobicContact CB-CB 4.07Å; L382-D386 HydrophobicContact CD2-CB 4.36Å; S383-D386 WeakPolarHBondContact CA-OD2 3.38Å; S383-D386 VanDerWaalsContact CB-OD2 3.24Å; S383-D386 WeakPolarHBondContact CB-OD2 3.08Å; S383-D386 PolarHBondContact N-OD2 3.3Å; S383-D386 WeakPolarHBondContact O-CB 3.16Å; S383-D386 PolarHBondContact O-N 3.44Å; S383-D386 VanDerWaalsContact OG-CG 3.28Å; S383-D386 PolarHBondContact OG-OD2 2.94Å
387F94.3Very high85.1Confident0 Ų076.5 Ų76.50%042%0.418CS..EExtended strand (participates in β ladder)trans-147.8164.7-175.773.7-87.5000112.9V339 V347 M348 M361 A371 L382 S383 Y384V339-F387 HydrophobicContact CB-CE2 4.44Å; V339-F387 HydrophobicContact CG1-CE2 3.89Å; V339-F387 HydrophobicContact CG1-CZ 3.94Å; V339-F387 HydrophobicContact CG2-CE2 4.08Å; V339-F387 HydrophobicContact CG2-CZ 4.07Å; V347-F387 HydrophobicContact CB-CD2 3.86Å; V347-F387 HydrophobicContact CG1-CD2 3.72Å; V347-F387 HydrophobicContact CG1-CE2 3.99Å; V347-F387 HydrophobicContact CG2-CD2 4.31Å; M348-F387 VanDerWaalsContact O-CA 3.26Å; M348-F387 WeakPolarHBondContact O-CA 3.34Å; M348-F387 WeakPolarHBondContact O-CB 3.44Å; M361-F387 HydrophobicContact SD-CE2 4.09Å; M361-F387 HydrophobicContact SD-CZ 4.27Å; A371-F387 HydrophobicContact CB-CE1 3.71Å; A371-F387 HydrophobicContact CB-CE2 4.41Å; A371-F387 HydrophobicContact CB-CZ 3.43Å; A371-F387 VanDerWaalsContact CB-CZ 3.43Å; L382-F387 HydrophobicContact CB-CD1 3.76Å; L382-F387 HydrophobicContact CB-CE1 4.24Å; L382-F387 HydrophobicContact CD1-CB 4.32Å; L382-F387 HydrophobicContact CD1-CD1 4.37Å; S383-F387 WeakPolarHBondContact O-CD1 3.4Å; S383-F387 WeakPolarHBondContact O-CE1 3.25Å; Y384-F387 HydrophobicContact CD1-CE1 4.04Å; Y384-F387 AromaticContact CD1-CZ 3.93Å; Y384-F387 HydrophobicContact CD1-CZ 3.93Å; Y384-F387 HydrophobicContact CE1-CZ 4.41Å
388A95.3Very high84.9Confident0 Ų072.4 Ų72.40%040%0.396CS..EExtended strand (participates in β ladder)trans-149.4158.2173.400000112.2V287 T337 V347 M348 L350 Y390V287-A388 HydrophobicContact CG1-CB 3.49Å; V287-A388 VanDerWaalsContact CG1-CB 3.49Å; T337-A388 HydrophobicContact CG2-CB 4.24Å; V347-A388 CarbonylContact C-O 3.58Å; V347-A388 WeakPolarHBondContact CA-O 3.34Å; V347-A388 WeakPolarHBondContact CB-O 3.31Å; M348-A388 PolarHBondContact N-O 3.35Å; M348-A388 PolarHBondContact O-N 2.97Å; M348-A388 VanDerWaalsContact O-N 3.07Å; L350-A388 HydrophobicContact CD1-CB 3.99Å; A388-Y390 PolarHBondContact O-N 3.4Å
389E95.4Very high84.4Confident27 Ų2772.1 Ų72.113%0.12640%0.395CS..EExtended strand (participates in β ladder)trans-51.8123.2173.3-178.8-178.5153.200110.6R288 V338 P340 V391R288-E389 HydrophobicContact CB-CB 3.95Å; R288-E389 HydrophobicContact CB-CG 4.2Å; R288-E389 WeakPolarHBondContact CB-O 3.42Å; R288-E389 WeakPolarHBondContact CD-OE1 3Å; R288-E389 IonicContact CZ-OE1 2.73Å; R288-E389 PolarHBondContact N-O 2.92Å; R288-E389 IonicContact NE-OE1 3.72Å; R288-E389 IonicContact NH1-OE1 3.7Å; R288-E389 PolarHBondContact NH1-OE1 3.32Å; V338-E389 WeakPolarHBondContact CG1-OE2 3.24Å; V338-E389 WeakPolarHBondContact O-CB 3.24Å; V338-E389 PolarHBondContact O-N 2.78Å; P340-E389 HydrophobicContact CB-CB 4.13Å; P340-E389 HydrophobicContact CB-CG 4.01Å; P340-E389 HydrophobicContact CG-CB 4.26Å; E389-V391 HydrophobicContact CG-CG2 4.13Å
390Y95.2Very high83.9Confident40 Ų4071.2 Ų71.216%0.15739%0.387CS..BIsolated β-bridgetrans-94.4135.4175.4-173.5-110.4000109.5M286 E346 M348 V358 A388M286-Y390 HydrophobicContact CB-CD2 4.36Å; M286-Y390 HydrophobicContact CB-CE2 3.83Å; E346-Y390 PolarHBondContact O-N 3.15Å; M348-Y390 HydrophobicContact CB-CD2 4.21Å; M348-Y390 HydrophobicContact CE-CD2 3.81Å; M348-Y390 HydrophobicContact CE-CE2 3.53Å; V358-Y390 HydrophobicContact CG1-CD1 4.01Å; V358-Y390 HydrophobicContact CG1-CG 4.37Å; V358-Y390 HydrophobicContact CG2-CD1 3.94Å; V358-Y390 HydrophobicContact CG2-CD2 4.21Å; V358-Y390 HydrophobicContact CG2-CE1 3.92Å; V358-Y390 HydrophobicContact CG2-CE2 4.19Å; V358-Y390 HydrophobicContact CG2-CG 4.08Å; A388-Y390 PolarHBondContact O-N 3.4Å
391V92.3Very high83.4Confident64 Ų6473.6 Ų73.639%0.38840%0.401SS..  trans-13637.2-178-157.10000110.1M286 R288 E389M286-V391 PolarHBondContact O-N 2.83Å; R288-V391 HydrophobicContact CB-CG2 4.04Å; R288-V391 HydrophobicContact CG-CG2 4.38Å; E389-V391 HydrophobicContact CG-CG2 4.13Å
392G86.9Confident82.7Confident18 Ų1870.3 Ų70.319%0.18639%0.391CS..SBendtrans-86.4169.3165.600000110.4
393D79.3Confident81.9Confident145 Ų14573.3 Ų73.378%0.77541%0.408SS*.PPolyproline II helixtrans-65.6144.2163.5-58.4-66.5000109.1V395D393-V395 PolarHBondContact O-N 3.44Å
394P67.7Low81.1Confident86 Ų8676.1 Ų76.156%0.55842%0.421SS*.PPolyproline II helixtrans-61.9128.1174.826.9-33.8000109.2D396P394-D396 PolarHBondContact O-N 2.71Å
395V61.3Low80.2Confident111 Ų11179.3 Ų79.367%0.67344%0.442SS*.  trans-79.6107.3171.1-178.20000107.2D393 D397D393-V395 PolarHBondContact O-N 3.44Å; V395-D397 PolarHBondContact O-N 2.96Å; V395-D397 VanDerWaalsContact O-N 3.15Å
396D49Very low79.3Confident160 Ų16076.3 Ų76.386%0.85643%0.428SS*.  trans-65.9104.1165-68.1-50.5000108.6P394P394-D396 PolarHBondContact O-N 2.71Å
397D42.3Very low78.1Confident217 Ų21778.9 Ų78.9100%1.1644%0.444SS*.  trans-80.10168.9-91.5-37.7000111.4V395V395-D397 PolarHBondContact O-N 2.96Å; V395-D397 VanDerWaalsContact O-N 3.15Å

Retrieved 397 of 397 residues in 433.2 ms (Link to these results)