A0A096N7B8_PAPAN Loading...

Forkhead box protein O1

AlphaFold DB , UniProt , Accession A0A096N7B8, Species PAPAN (Papio anubis, Olive baboon), Gene FOXO1, Length 655 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
1M41.3Very low50.9Low242 Ų242145.5 Ų145.5100%1.19281%0.811SS**  0134.90-72.665.8166.100107.6
2A40.2Very low52.2Low106 Ų106143.8 Ų143.888%0.87681%0.812SS**PPolyproline II helixtrans-99.9137.4167.300000108.4
3E46.3Very low52.5Low180 Ų180144.2 Ų144.284%0.84181%0.81SS**PPolyproline II helixtrans-83.5138.2179.2-167.3178.8128.100110.2
4A49.8Very low52.9Low77 Ų77145.9 Ų145.964%0.63681%0.805SS**PPolyproline II helixtrans-86.1144179.100000111Q6A4-Q6 PolarHBondContact O-N 3.48Å
5P48.9Very low53.8Low124 Ų124147.6 Ų147.681%0.80581%0.805SS**PPolyproline II helixtrans-68.9131.8179.728.7-34.2000111.1
6Q48.3Very low54Low174 Ų174145.5 Ų145.581%0.81380%0.801SS**PPolyproline II helixtrans-69.9130.5177.2-63.4-170.64.300111.1A4A4-Q6 PolarHBondContact O-N 3.48Å
7V53.2Low54.5Low140 Ų140145.8 Ų145.885%0.84880%0.8SS**PPolyproline II helixtrans-82.7118.1169.5177.80000107.7E9V7-E9 PolarHBondContact O-N 2.92Å
8V53.4Low54.4Low122 Ų122144.6 Ų144.674%0.73980%0.8SS**  trans-79.7114.5171.9-179.50000108.1
9E48.5Very low54.4Low184 Ų184148.9 Ų148.986%0.8680%0.803SS**PPolyproline II helixtrans-70.2124.1173.9-168.7166.2-161.500109.3V7V7-E9 PolarHBondContact O-N 2.92Å
10I63.5Low54.3Low150 Ų150147.8 Ų147.877%0.76980%0.804SS**PPolyproline II helixtrans-99119.9-178.4-62.1169.3000107.7
11D66.8Low53.9Low101 Ų101152.1 Ų152.154%0.5481%0.809SS.*PPolyproline II helixtrans-58121.5180-172.6-13.6000111.6D13D11-D13 VanDerWaalsContact C-N 3.28Å; D11-D13 PolarHBondContact O-N 2.66Å; D11-D13 PolarHBondContact OD1-N 3.27Å
12P65.8Low54.3Low126 Ų126145 Ų14582%0.81878%0.783SS**THydrogen-bonded Turntrans-71.4-15.3-17929.5-35.8000114.6
13D56.3Low54.6Low149 Ų149146 Ų14680%0.79778%0.782SS**THydrogen-bonded Turntrans-90.76.9-178.5-90.3-16.4000113.9D11 E15D11-D13 VanDerWaalsContact C-N 3.28Å; D11-D13 PolarHBondContact O-N 2.66Å; D11-D13 PolarHBondContact OD1-N 3.27Å; D13-E15 PolarHBondContact O-N 3.21Å
14F57.7Low54.9Low167 Ų167143 Ų14373%0.73278%0.776SS**  trans-78.381.7-179-148.2-84.5000113
15E67.6Low55.2Low172 Ų172149.8 Ų149.880%0.80479%0.785SS**  trans-61.6122.5179.6-166.8177.8-15700112D13 L17D13-E15 PolarHBondContact O-N 3.21Å; E15-L17 PolarHBondContact O-N 3.05Å; E15-L17 VanDerWaalsContact O-N 3.13Å
16P56.8Low55.1Low114 Ų114149.4 Ų149.474%0.7478%0.783SS**  trans-77.1106.1-173.929.1-34.2000112
17L62.6Low54.9Low151 Ų151148.8 Ų148.879%0.79178%0.784SS**  trans-45.6126.4174.2-80.3130.6000112.5E15 R19E15-L17 PolarHBondContact O-N 3.05Å; E15-L17 VanDerWaalsContact O-N 3.13Å; L17-R19 PolarHBondContact O-N 3.07Å; L17-R19 VanDerWaalsContact O-N 3.1Å
18P52.7Low54.7Low124 Ų124147.8 Ų147.881%0.80578%0.781SS**  trans-68.6112.1-178.126.8-33.8000110.5
19R54.5Low54Low226 Ų226153 Ų15385%0.85379%0.787SS**PPolyproline II helixtrans-66.6137172.4-54.3-175-164.6-163.74.2109.1L17 R21L17-R19 PolarHBondContact O-N 3.07Å; L17-R19 VanDerWaalsContact O-N 3.1Å; R19-R21 PolarHBondContact O-N 2.78Å
20P52.9Low53.9Low127 Ų127149.3 Ų149.383%0.82578%0.779SS**PPolyproline II helixtrans-58.8129.8179.823.4-33000110.4
21R43.9Very low52.7Low239 Ų239151 Ų15190%0.90278%0.784SS**PPolyproline II helixtrans-65.9139.6-178.2-76.7-177.9161.4173.2-4.9110.7R19R19-R21 PolarHBondContact O-N 2.78Å
22S50.5Low51.2Low93 Ų93155.9 Ų155.965%0.6580%0.801SS**  trans-14.5125.2168.252.30000116.7T24S22-T24 PolarHBondContact O-N 2.96Å
23C47Very low49.5Very low126 Ų126155.4 Ų155.485%0.85180%0.801SS**  trans-65.977.6161.3-64.40000110.9
24T52.3Low48.4Very low117 Ų117156.9 Ų156.972%0.71880%0.802SS**  trans-11869.8172.2-52.30000108.4S22S22-T24 PolarHBondContact O-N 2.96Å
25W55.3Low47.2Very low219 Ų219154.2 Ų154.283%0.8381%0.805SS**PPolyproline II helixtrans-77.3134.4166.2-70.2101.4000109.2L27W25-L27 PolarHBondContact O-N 2.92Å
26P47.4Very low45.5Very low116 Ų116153.4 Ų153.475%0.75381%0.806SS**PPolyproline II helixtrans-68.4116.6165.428.8-31000108.3
27L44.5Very low44.4Very low161 Ų161153.8 Ų153.884%0.84381%0.811SS**PPolyproline II helixtrans-65.6138174.3-74.597.6000110W25 R29W25-L27 PolarHBondContact O-N 2.92Å; L27-R29 PolarHBondContact O-N 3.4Å
28P48.1Very low42.9Very low120 Ų120151.1 Ų151.178%0.77981%0.811SS**PPolyproline II helixtrans-55.7136.5167.8-23.934.1000110.9
29R39.2Very low41.9Very low231 Ų231151.4 Ų151.487%0.87281%0.811SS**PPolyproline II helixtrans-61.7125.2174.8173-174.7-91.9169.5-8.2108.7L27 E31L27-R29 PolarHBondContact O-N 3.4Å; R29-E31 PolarHBondContact O-N 3.34Å
30P46.1Very low40.9Very low106 Ų106145.1 Ų145.169%0.68880%0.802SS**PPolyproline II helixtrans-68.4123.7170.527.9-32.3000109.2
31E38.5Very low39.8Very low186 Ų186144.8 Ų144.887%0.86980%0.802SS**PPolyproline II helixtrans-68.9134.6169.5-70-155.993.300110.4R29 S33R29-E31 PolarHBondContact O-N 3.34Å; E31-S33 PolarHBondContact O-N 3.48Å
32F35.3Very low39.9Very low203 Ų203139.2 Ų139.289%0.8980%0.797SS**  trans-80.194.8170.5-88.4-95.3000109.2Q34F32-Q34 PolarHBondContact O-N 3Å
33S30.8Very low38.9Very low117 Ų117139.1 Ų139.182%0.81880%0.802SS**  trans-68.1119.8162.942.80000109.6E31E31-S33 PolarHBondContact O-N 3.48Å
34Q31.8Very low39Very low179 Ų179138.5 Ų138.584%0.83680%0.796SS**  trans-69.7132.6178.4-69.3178.5-1.600110.5F32 N36F32-Q34 PolarHBondContact O-N 3Å; Q34-N36 PolarHBondContact O-N 2.89Å
35S33Very low38.1Very low112 Ų112138.8 Ų138.878%0.78380%0.803SS**  trans-77104.8172.955.30000110.9
36N32.4Very low36.8Very low154 Ų154132.1 Ų132.182%0.82480%0.802SS**  trans-105.9123.5161.9-88-6.7000110.1Q34Q34-N36 PolarHBondContact O-N 2.89Å
37S33.8Very low36Very low123 Ų123130.5 Ų130.586%0.8681%0.807SS**  trans-107.3111.7174.4-61.50000109.8
38A31.8Very low35.4Very low95 Ų95127.5 Ų127.579%0.78581%0.805SS**  trans-158.597.1163.400000112.5
39T31.1Very low34.7Very low129 Ų129126.8 Ų126.879%0.79181%0.809SS**  trans18.1147.7134-165.20000122.4
40S32.2Very low34.4Very low95 Ų95119.8 Ų119.866%0.66480%0.801SS**  trans95.294149.3-54.80000121.1
41S31.4Very low33.9Very low120 Ų120122.3 Ų122.384%0.83981%0.808SS**  trans71.6153.9130.4-57.30000122.4
42P46.4Very low34.6Very low121 Ų121118.5 Ų118.579%0.78680%0.8SS**  trans-122.5177.2-164.541.4-26.2000116.9
43A29.4Very low34.4Very low92 Ų92116.7 Ų116.776%0.7680%0.8SS**  trans83.4160.1160.100000118.5
44P48.8Very low34.5Very low113 Ų113115.6 Ų115.673%0.73480%0.797SS**  cis-136.9-176-26.729.7-7.8000115.6
45S32.4Very low34.6Very low123 Ų123112 Ų11286%0.8680%0.798SS**  trans81.7145.2158.6-45.70000118.4
46G28.6Very low34.5Very low79 Ų79111.6 Ų111.681%0.81480%0.802SS**  cis166.9142.8-11.500000114.9
47G30.5Very low34.4Very low82 Ų82107.9 Ų107.985%0.84580%0.8SS**  trans83.615816300000118.7
48A32.1Very low34.2Very low98 Ų98109.8 Ų109.881%0.8180%0.8SS**  cis-170162.2-17.400000112
49A33.2Very low34.7Very low105 Ų105111.1 Ų111.187%0.86880%0.8SS**  trans69.6146.3165.900000119
50A33.2Very low34.5Very low84 Ų84110.2 Ų110.269%0.69480%0.8SS**  cis-165.1126-15.200000108.2
51N36.2Very low34.5Very low158 Ų158110.2 Ų110.285%0.84581%0.805SS**  64.2155.396.7-82.2-22.6000117.6
52P52.9Low34.3Very low106 Ų106110.1 Ų110.169%0.68880%0.804SS**  cis-143.3166.3-28.939.7-22.5000116
53D30.9Very low33.4Very low166 Ų166109 Ų10989%0.88881%0.805SS**  trans159.2136.9142.3-95.3-31.8000109
54A33.4Very low33.3Very low93 Ų93109.5 Ų109.577%0.76981%0.809SS**  cis-143.9170.95.900000112.9
55A32.2Very low32.3Very low103 Ų103108.6 Ų108.685%0.85181%0.811SS**  trans-55.9168.7178.900000116
56A32.1Very low32.4Very low105 Ų105109.3 Ų109.387%0.86881%0.811SS**  cis-171.5167.7-1600000106.6
57G30.4Very low32.4Very low76 Ų76111.2 Ų111.278%0.78481%0.811SS**  cis-167.6165.81.200000111.9
58L28.1Very low32.5Very low162 Ų162112 Ų11285%0.84881%0.809SS**  trans-92.1176.6-174.4-92.8168000111.9
59P42.7Very low32.7Very low123 Ų123115.2 Ų115.280%0.79981%0.813SS**  cis-128.615744.318.38000115.5
60S26.9Very low32.8Very low111 Ų111119.5 Ų119.578%0.77681%0.813SS**  cis92.9148.546.4-158.60000114.1
61A32.5Very low32.8Very low95 Ų95124.9 Ų124.979%0.78583%0.826SS**  trans-124.9160.1-153.800000115.6
62S28.1Very low32.5Very low117 Ų117122 Ų12282%0.81882%0.818SS**  trans-172.4128.7153.850.90000107.8
63A26.5Very low31.4Very low98 Ų98123.6 Ų123.681%0.8182%0.821SS**  91.1146.957.300000113.7
64A27.1Very low31.3Very low102 Ų102124.6 Ų124.684%0.84383%0.825SS**  trans75.2129.3-170.300000115.4
65A28.5Very low31.1Very low94 Ų94125.2 Ų125.278%0.77782%0.824SS**  cis117.3108.411.300000112.3
66V33.9Very low31Very low139 Ų139126.3 Ų126.384%0.84282%0.815SS**  trans-167.6112.1150-92.90000106.7
67S28.8Very low30.8Very low118 Ų118129.9 Ų129.983%0.82582%0.818SS**  77.2109.189.5-59.80000115.2
68A33.4Very low31Very low98 Ų98133.8 Ų133.881%0.8182%0.816SS**  trans-177.8126.2135.200000111.4
69D35.4Very low31Very low166 Ų166135.5 Ų135.589%0.88882%0.82SS**  trans-71.4133.7176.6-53.2-99.7000112.6
70F34.6Very low30.5Very low195 Ų195134.8 Ų134.886%0.85582%0.818SS**  trans-149.964.2166.2-160.6-100.9000113.7
71M34Very low30.8Very low197 Ų197138.6 Ų138.697%0.9782%0.823SS**  trans-144.972.8157.9-83.2-157.9165.300110.9
72S30.8Very low30.6Very low97 Ų97140.9 Ų140.968%0.67882%0.822SS**  trans-158.2145.7156.4-1560000110.8
73N28.2Very low30.8Very low141 Ų141144.6 Ų144.675%0.75482%0.824SS**  trans69103.4-172.5-52.9-69.1000116.1
74L30.6Very low32Very low186 Ų186144.8 Ų144.897%0.97482%0.817SS**  -156.4112.8104.1-126.971.3000109.3
75S28.8Very low32Very low107 Ų107149.4 Ų149.475%0.74882%0.821SS**  trans-141.2144.3171.9-169.60000107.9
76L30.5Very low32.2Very low125 Ų125149 Ų14965%0.65482%0.818SS**  trans57.7112.7-179.6-89.968.8000117E78L76-E78 HydrophobicContact CD2-CG 4.37Å; L76-E78 WeakPolarHBondContact CD2-OE2 3.34Å
77L27.8Very low32.9Very low181 Ų181148.6 Ų148.695%0.94882%0.818SS**  trans-105.1105.7130.3-76172.3000106.7
78E33.3Very low33Very low158 Ų158146.3 Ų146.374%0.73881%0.813SS**  trans-89.6126.3154-94.1178.795.600107L76L76-E78 HydrophobicContact CD2-CG 4.37Å; L76-E78 WeakPolarHBondContact CD2-OE2 3.34Å
79E28.6Very low32.9Very low198 Ų198146.8 Ų146.893%0.92581%0.81SS**  trans-102.2114171.1-176.8176.995.300106.9
80S31.3Very low32.7Very low108 Ų108145.6 Ų145.676%0.75581%0.809SS**  trans-140.2131.8171.965.40000109.5
81E33.3Very low32.5Very low191 Ų191140.8 Ų140.889%0.89381%0.805SS**  trans-72149.2-163.4-58.8169103.300114
82D28.6Very low32.3Very low142 Ų142136 Ų13676%0.75980%0.797SS**  trans-99143.2173.5-173.6-90.7000110.8
83F33.2Very low32.2Very low196 Ų196135.5 Ų135.586%0.8680%0.799SS**  trans-130.1131.5166.2-110.6-86.6000108.7
84P51.5Low32.3Very low102 Ų102135.7 Ų135.766%0.66281%0.805SS**  trans-97.2142.8-159.235.4-36.1000114.5
85Q27.6Very low32.1Very low198 Ų198131.6 Ų131.693%0.92580%0.798SS**  trans-157.8131.6140.9-127.9173.8-76.500113.8
86A33Very low32.1Very low85 Ų85131.3 Ų131.370%0.70280%0.802SS**  trans-105.8-172.4170.500000109.4
87P48.2Very low31.9Very low131 Ų131130 Ų13085%0.85181%0.809SS**  cis-130.7174.2-9.540.2-24.4000114.4
88G29.9Very low31.9Very low70 Ų70126.1 Ų126.172%0.72280%0.803SS**  trans-175.593.4172.800000118.2
89S32.3Very low31.5Very low108 Ų108123 Ų12376%0.75581%0.805SS**  trans46.7105.3146.259.40000122.2
90V30Very low31.5Very low142 Ų142118.3 Ų118.386%0.86180%0.799SS**  33.5147.7126.5-60.10000123.7
91A30.5Very low31.3Very low94 Ų94117.8 Ų117.878%0.77780%0.802SS**  trans113.294.9145.800000118.9
92A30.1Very low31.2Very low95 Ų95113 Ų11379%0.78579%0.794SS**  51.4113.6119.500000122.2
93A28.7Very low31.5Very low88 Ų88112.9 Ų112.973%0.72780%0.799SS**  89.2157.1118.500000122.1
94V30.1Very low31.6Very low145 Ų145107.3 Ų107.388%0.87980%0.797SS**  trans63.3118.2168.4-76.30000120.6
95A27.2Very low30.6Very low100 Ų100105.8 Ų105.883%0.82680%0.8SS**  trans-78.6151.5158.500000111
96A28.9Very low31Very low101 Ų101104.1 Ų104.184%0.83580%0.796SS**  -176134.1124.100000113.1
97A26.6Very low30.9Very low98 Ų98106.4 Ų106.481%0.8181%0.805SS**  trans-10.6146.5156.800000122.1
98A26.3Very low30Very low98 Ų98103.5 Ų103.581%0.8180%0.8SS**  102.4128.712900000121.6
99A26.4Very low30.1Very low94 Ų94107.7 Ų107.778%0.77781%0.806SS**  trans74.697.9142.700000121.6
100A27.1Very low29.9Very low99 Ų99110.8 Ų110.882%0.81881%0.806SS**  83.9137.5115.600000122.7
101A27.8Very low29.9Very low97 Ų97111.6 Ų111.680%0.80280%0.8SS**  trans80.3107144.900000121.4
102A32Very low29.7Very low89 Ų89110.3 Ų110.374%0.73680%0.796SS**  38111.5124.500000120.5
103T34.8Very low30.8Very low140 Ų140111.2 Ų111.286%0.85979%0.794SS**  trans12.7122.2132.252.40000119.5
104G33.9Very low30.7Very low79 Ų79115.2 Ų115.281%0.81480%0.797SS**  88.584.2114.600000118.5
105G31.2Very low30.8Very low70 Ų70111.8 Ų111.872%0.72278%0.784SS**  81.9113.7106.200000120.6
106L35.2Very low30.9Very low164 Ų164112.3 Ų112.386%0.85978%0.782SS**  trans88.4106.3135.5-51-178000120
107C31Very low31Very low132 Ų132113.1 Ų113.189%0.89278%0.78SS**  trans56.1145.3137.972.30000122
108G30.8Very low31.2Very low71 Ų71116.7 Ų116.773%0.73279%0.785SS**  trans164.2-9.8151.600000122.3
109D30.4Very low31.5Very low158 Ų158120.7 Ų120.785%0.84579%0.786SS**  trans61.3162.3162.4-125.8-69.8000122
110F28.2Very low32.4Very low172 Ų172122.4 Ų122.475%0.75479%0.789SS**  trans79.397157.8-131.3-105.3000124
111Q30.8Very low32.6Very low160 Ų160121.9 Ų121.975%0.74879%0.785SS**  trans60.6126.5133.1-133.568.917.400122.9
112G26.7Very low33.7Very low66 Ų66122.9 Ų122.968%0.6878%0.784SS**  trans-86.5-147.1165.900000113.5
113P52.9Low34.3Very low114 Ų114123.7 Ų123.774%0.7478%0.781SS**  cis-139.1-156.312.535.2-10.1000114.5
114E27.6Very low34.2Very low172 Ų172126 Ų12680%0.80478%0.782SS**  trans65.6135.7170.4-47-54.889.800118.4
115A30.5Very low34.7Very low74 Ų74126.9 Ų126.961%0.61277%0.774SS**  cis134.5139.8-5.200000110.2
116S29.6Very low35.2Very low110 Ų110129.4 Ų129.477%0.76978%0.777SS**  trans84.395.4157.1-52.50000121.1
117C30.3Very low35.9Very low118 Ų118127.3 Ų127.380%0.79777%0.773SS**  41.4124.8123-490000121.8
118L30.9Very low36.8Very low173 Ų173127.1 Ų127.191%0.90677%0.771SS**  170.5147.6110.9-87.5163000113.1
119H33.5Very low36.9Very low182 Ų182127.2 Ų127.284%0.84377%0.771SS**  trans-85.8167.4166.7-83.8-161.4000110.3
120P45.6Very low37.7Very low130 Ų130125.3 Ų125.384%0.84477%0.768SS**  cis-142.3-172.529.937.5-13.6000118
121A31.6Very low37.9Very low89 Ų89124.8 Ų124.874%0.73677%0.772SS**  trans-79.1-173.7-174.900000114.7
122P50.2Low38.2Very low118 Ų118122.5 Ų122.577%0.76677%0.773SS**  cis-130.8-140.50.443.9-23.2000111.4
123P44.6Very low38.5Very low105 Ų105128 Ų12868%0.68278%0.781SS**  cis-137.5161.9-20.338.4-19.7000118.5
124Q33.1Very low37.6Very low189 Ų189130.9 Ų130.988%0.88379%0.785SS**  trans65.2157.7145.2-71.9-83.3-60.100122.4
125P44.9Very low38.7Very low98 Ų98127.2 Ų127.264%0.63678%0.776SS**  trans-118.1171.7-157.943.3-33.1000116.8
126P41.8Very low39.2Very low123 Ų123129.7 Ų129.780%0.79979%0.786SS**  trans-141.2161.5135.136.4-21.7000115.9
127P49.2Very low39.8Very low119 Ų119130.9 Ų130.977%0.77379%0.788SS**  trans-105-159.5176.344.6-37.3000111.5
128P50.2Low41.3Very low129 Ų129130.7 Ų130.784%0.83879%0.785SS**  cis-125.9177.7-26.925.1-3000113.8
129G32.3Very low42.1Very low72 Ų72128.1 Ų128.174%0.74278%0.779SS**  trans-168.6142.916500000113.3
130P47.7Very low41.9Very low118 Ų118124 Ų12477%0.76678%0.777SS**  trans-129.2172.6-156.144.4-30.1000118.5
131L32.6Very low41.4Very low161 Ų161122.9 Ų122.984%0.84378%0.778SS**  trans78.1112.7159.9-53.2178.2000120.8
132S35.7Very low41.6Very low112 Ų112123.7 Ų123.778%0.78379%0.785SS**  168.6125.9101.4-73.90000117
133Q34.3Very low40.9Very low181 Ų181121.4 Ų121.485%0.84678%0.783SS**  trans9.1130.1147.7-46.4-179.719.200122.9
134H34Very low40.9Very low175 Ų175122.7 Ų122.781%0.8179%0.791SS**  155.4143.5106.9-157.4-92.6000114.1
135P49.5Very low41.3Very low95 Ų95121.9 Ų121.962%0.61779%0.792SS**  trans-94.4172174.741.3-39.5000112.9
136P41.6Very low41.1Very low126 Ų126122.1 Ų122.182%0.81880%0.802SS**  -146.2-173.666.835.7-11.9000116
137V42Very low41Very low135 Ų135119.6 Ų119.682%0.81880%0.798SS**  trans-130178.9179.3-680000109.7
138P61.2Low40.7Very low115 Ų115122.2 Ų122.275%0.74780%0.801SS**  cis-127.9-152.5-3.732.8-6.6000110.5
139P47.9Very low40.5Very low118 Ų118121.3 Ų121.377%0.76679%0.794SS**  cis-143.41764.944.6-24.5000120.3
140A30Very low41.1Very low96 Ų96129.2 Ų129.279%0.79380%0.802SS**  trans116.9131.5141.800000120.1
141A35Very low41Very low106 Ų106133.7 Ų133.788%0.87681%0.809SS**  trans70.595.3150.300000122
142A35.7Very low41.6Very low107 Ų107131.4 Ų131.488%0.88481%0.807SS**  trans-152137137.600000109.6
143G36.1Very low41.9Very low70 Ų70130.7 Ų130.772%0.72280%0.802SS**PPolyproline II helixtrans-85.1163.3-172.100000115
144P43.3Very low42.8Very low132 Ų132127.3 Ų127.386%0.85780%0.798SS**PPolyproline II helixtrans-85.6127.2178.522.2-11.6000112.4
145L41.8Very low43.9Very low171 Ų171123.5 Ų123.590%0.89579%0.791SS**PPolyproline II helixtrans-57.8140.8166.1-83.1128.8000111.4G147L145-G147 PolarHBondContact O-N 3.44Å; L145-G147 VanDerWaalsContact O-N 3.12Å
146A40.4Very low44.3Very low103 Ų103129.9 Ų129.985%0.85180%0.803SS**  trans-64.2110.3179.700000112.1Q148A146-Q148 PolarHBondContact O-N 2.94Å
147G41.4Very low45.9Very low70 Ų70132.3 Ų132.372%0.72280%0.796SS**  trans-70.4122169.500000111.5L145 P149L145-G147 PolarHBondContact O-N 3.44Å; L145-G147 VanDerWaalsContact O-N 3.12Å; G147-P149 WeakPolarHBondContact O-CD 3.5Å
148Q41.5Very low47.9Very low175 Ų175129 Ų12982%0.81877%0.774SS**  trans-52119.9165.8-81.9-81.7-6.400110.1A146 R150A146-Q148 PolarHBondContact O-N 2.94Å; Q148-R150 PolarHBondContact O-N 3.45Å
149P47.2Very low48.9Very low109 Ų109127 Ų12771%0.70877%0.767SS**  trans-69.7105.3175.227.8-32000108.7G147 K151G147-P149 WeakPolarHBondContact O-CD 3.5Å; P149-K151 PolarHBondContact O-N 3.47Å
150R43.8Very low50.7Low239 Ų239123.6 Ų123.690%0.90274%0.739SS**  trans-51.7128.9171.3-65.6-123.6-75-177.3-5.5108Q148 S152Q148-R150 PolarHBondContact O-N 3.45Å; R150-S152 PolarHBondContact O-N 3.07Å
151K45.7Very low53.6Low211 Ų211120.3 Ų120.392%0.91771%0.714SS**  trans-72.860.9-173.2-146.7100.373.2-175.50111.3P149 S153P149-K151 PolarHBondContact O-N 3.47Å; K151-S153 PolarHBondContact O-N 3.48Å; K151-S153 VanDerWaalsContact O-N 3.12Å
152S46.5Very low56.2Low113 Ų113120.7 Ų120.779%0.7970%0.701SS**  trans-70.7104.8173.5-173.50000108.2R150R150-S152 PolarHBondContact O-N 3.07Å
153S41.6Very low58.9Low98 Ų98118.1 Ų118.169%0.68567%0.673SS**  trans31.1106168.9-163.60000116.1K151 S155K151-S153 PolarHBondContact O-N 3.48Å; K151-S153 VanDerWaalsContact O-N 3.12Å; S153-S155 PolarHBondContact O-N 3.46Å
154S52Low61.6Low110 Ų110117.2 Ų117.277%0.76966%0.655SS**  trans-67.372.4160.1-168.80000109.6R156S154-R156 PolarHBondContact O-N 3.41Å
155S57.3Low64.1Low94 Ų94112.8 Ų112.866%0.65762%0.621SS**  trans-57106.7160.3-179.10000105.6S153 R157S153-S155 PolarHBondContact O-N 3.46Å; S155-R157 PolarHBondContact O-N 2.82Å
156R58.6Low66.7Low229 Ų229105 Ų10586%0.86458%0.582SS**  trans-51.2104.9-168.7-74-169.9-101.3-132.9-0.7109.1S154 N158S154-R156 PolarHBondContact O-N 3.41Å; R156-N158 PolarHBondContact O-N 3.2Å
157R74.8Confident69.3Low178 Ų178103.1 Ų103.167%0.67256%0.558SS**  trans-61.9131.5179.6-56175.176.7-179.62.4106.2S155 N162S155-R157 PolarHBondContact O-N 2.82Å; R157-N162 PolarHBondContact NE-OD1 2.96Å; R157-N162 PolarHBondContact NH2-ND2 2.91Å; R157-N162 PolarHBondContact NH2-OD1 2.96Å
158N83.6Confident71.9Confident65 Ų65100 Ų10035%0.34852%0.524SS..BIsolated β-bridgetrans-61.2157.4179.3-59.8-47.6000109R156 W160 G161 L163R156-N158 PolarHBondContact O-N 3.2Å; N158-W160 HydrophobicContact CB-CD2 3.61Å; N158-W160 HydrophobicContact CB-CE3 4Å; N158-W160 HydrophobicContact CB-CG 4.12Å; N158-W160 HydrophobicContact CB-CH2 3.94Å; N158-W160 HydrophobicContact CB-CZ2 3.54Å; N158-W160 HydrophobicContact CB-CZ3 4.15Å; N158-W160 PolarHBondContact O-N 3.02Å; N158-G161 WeakPolarHBondContact CB-O 3.34Å; N158-G161 PolarHBondContact N-O 2.94Å; N158-G161 PolarHBondContact O-N 2.99Å; N158-L163 PolarHBondContact ND2-O 2.88Å
159A82.6Confident74.5Confident74 Ų7491.7 Ų91.761%0.61249%0.485SS*.THydrogen-bonded Turntrans-60.7-15.5178.700000113.4Y196A159-Y196 HydrophobicContact CB-CD1 4.43Å; A159-Y196 HydrophobicContact CB-CD2 3.42Å; A159-Y196 VanDerWaalsContact CB-CD2 3.42Å; A159-Y196 HydrophobicContact CB-CE1 4.37Å; A159-Y196 HydrophobicContact CB-CE2 3.35Å; A159-Y196 HydrophobicContact CB-CG 3.99Å
160W86.6Confident76.8Confident46 Ų4687.2 Ų87.217%0.17446%0.456CS..THydrogen-bonded Turntrans-103.214.1172.658.984.3000114.3N158 L163 Y165 L168 V194 Y196 F197N158-W160 HydrophobicContact CB-CD2 3.61Å; N158-W160 HydrophobicContact CB-CE3 4Å; N158-W160 HydrophobicContact CB-CG 4.12Å; N158-W160 HydrophobicContact CB-CH2 3.94Å; N158-W160 HydrophobicContact CB-CZ2 3.54Å; N158-W160 HydrophobicContact CB-CZ3 4.15Å; N158-W160 PolarHBondContact O-N 3.02Å; W160-L163 PolarHBondContact NE1-O 3.13Å; W160-Y165 AromaticContact CH2-CE1 3.99Å; W160-Y165 HydrophobicContact CH2-CE1 3.99Å; W160-Y165 AromaticContact CH2-CE2 3.84Å; W160-Y165 HydrophobicContact CH2-CE2 3.84Å; W160-Y165 AromaticContact CH2-CZ 3.44Å; W160-Y165 VanDerWaalsContact CH2-CZ 3.44Å; W160-Y165 VanDerWaalsContact CH2-OH 3.31Å; W160-Y165 WeakPolarHBondContact CH2-OH 3.19Å; W160-Y165 HydrophobicContact CZ2-CD1 4.3Å; W160-Y165 HydrophobicContact CZ2-CD2 4.32Å; W160-Y165 AromaticContact CZ2-CE1 3.89Å; W160-Y165 HydrophobicContact CZ2-CE1 3.89Å; W160-Y165 AromaticContact CZ2-CE2 3.89Å; W160-Y165 HydrophobicContact CZ2-CE2 3.89Å; W160-Y165 AromaticContact CZ2-CZ 3.68Å; W160-L168 HydrophobicContact CG-CD1 4.3Å; W160-V194 HydrophobicContact CB-CG1 3.38Å; W160-V194 HydrophobicContact CG-CG1 4.13Å; W160-Y196 AromaticContact CE3-CD1 3.53Å; W160-Y196 HydrophobicContact CE3-CD1 3.53Å; W160-Y196 AromaticContact CE3-CE1 3.82Å; W160-Y196 HydrophobicContact CE3-CE1 3.82Å; W160-Y196 HydrophobicContact CE3-CG 4.21Å; W160-Y196 HydrophobicContact CZ3-CD1 4.04Å; W160-Y196 AromaticContact CZ3-CE1 3.84Å; W160-Y196 HydrophobicContact CZ3-CE1 3.84Å; W160-F197 AromaticContact CD2-CE2 4Å; W160-F197 HydrophobicContact CD2-CE2 4Å; W160-F197 HydrophobicContact CD2-CZ 4.19Å; W160-F197 AromaticContact CE3-CE2 3.88Å; W160-F197 HydrophobicContact CE3-CE2 3.88Å; W160-F197 AromaticContact CE3-CZ 3.69Å; W160-F197 HydrophobicContact CE3-CZ 3.69Å; W160-F197 HydrophobicContact CG-CE2 4.43Å; W160-F197 HydrophobicContact CH2-CZ 4.18Å; W160-F197 HydrophobicContact CZ3-CE2 4.33Å; W160-F197 AromaticContact CZ3-CZ 3.69Å; W160-F197 HydrophobicContact CZ3-CZ 3.69Å
161G89.8Confident79.3Confident26 Ų2680.6 Ų80.627%0.26843%0.434SS..BIsolated β-bridgetrans100.8-152.5176.600000115.1N158 L163N158-G161 WeakPolarHBondContact CB-O 3.34Å; N158-G161 PolarHBondContact N-O 2.94Å; N158-G161 PolarHBondContact O-N 2.99Å; G161-L163 VanDerWaalsContact C-N 3.35Å; G161-L163 PolarHBondContact O-N 2.93Å
162N90.3Very high81.7Confident114 Ų11470.5 Ų70.561%0.6139%0.39SS*.SBendtrans-84.5-3.1-171.6-67.4-14.6000114.6R157R157-N162 PolarHBondContact NE-OD1 2.96Å; R157-N162 PolarHBondContact NH2-ND2 2.91Å; R157-N162 PolarHBondContact NH2-OD1 2.96Å
163L91.4Very high84.1Confident54 Ų5465.1 Ų65.128%0.28335%0.352SS..  trans-81.6132.1-175.4-63.2173.2000110.6N158 W160 G161 D167 L168 K171N158-L163 PolarHBondContact ND2-O 2.88Å; W160-L163 PolarHBondContact NE1-O 3.13Å; G161-L163 VanDerWaalsContact C-N 3.35Å; G161-L163 PolarHBondContact O-N 2.93Å; L163-D167 HydrophobicContact CB-CB 4.22Å; L163-D167 HydrophobicContact CD2-CB 3.98Å; L163-L168 HydrophobicContact CB-CD2 3.94Å; L163-L168 HydrophobicContact CB-CG 4.12Å; L163-L168 HydrophobicContact CD1-CD2 3.72Å; L163-L168 HydrophobicContact CG-CD2 4.48Å; L163-K171 HydrophobicContact CD1-CD 4.33Å
164S94.3Very high86.7Confident50 Ų5065 Ų6535%0.3534%0.341SS..  trans-70.5161167.8-175.70000110.4A166 D167 L168S164-A166 PolarHBondContact O-N 3.01Å; S164-D167 VanDerWaalsContact CB-OD2 3.22Å; S164-D167 WeakPolarHBondContact CB-OD2 3.16Å; S164-D167 PolarHBondContact N-OD2 3.05Å; S164-D167 PolarHBondContact O-N 3.31Å; S164-L168 PolarHBondContact O-N 3.25Å
165Y95.3Very high88.8Confident40 Ų4063.2 Ų63.216%0.15733%0.328CS..Hα-helixtrans-54.5-39.2168.8-77.1-63000111.5W160 D167 L168 I169 F197 I213W160-Y165 AromaticContact CH2-CE1 3.99Å; W160-Y165 HydrophobicContact CH2-CE1 3.99Å; W160-Y165 AromaticContact CH2-CE2 3.84Å; W160-Y165 HydrophobicContact CH2-CE2 3.84Å; W160-Y165 AromaticContact CH2-CZ 3.44Å; W160-Y165 VanDerWaalsContact CH2-CZ 3.44Å; W160-Y165 VanDerWaalsContact CH2-OH 3.31Å; W160-Y165 WeakPolarHBondContact CH2-OH 3.19Å; W160-Y165 HydrophobicContact CZ2-CD1 4.3Å; W160-Y165 HydrophobicContact CZ2-CD2 4.32Å; W160-Y165 AromaticContact CZ2-CE1 3.89Å; W160-Y165 HydrophobicContact CZ2-CE1 3.89Å; W160-Y165 AromaticContact CZ2-CE2 3.89Å; W160-Y165 HydrophobicContact CZ2-CE2 3.89Å; W160-Y165 AromaticContact CZ2-CZ 3.68Å; Y165-D167 VanDerWaalsContact C-N 3.31Å; Y165-D167 PolarHBondContact O-N 3.33Å; Y165-L168 PolarHBondContact O-N 3.28Å; Y165-I169 WeakPolarHBondContact O-CB 3.19Å; Y165-I169 WeakPolarHBondContact O-CD1 3.47Å; Y165-I169 WeakPolarHBondContact O-CG1 3.28Å; Y165-I169 PolarHBondContact O-N 3.41Å; Y165-F197 HydrophobicContact CE1-CE2 4.41Å; Y165-F197 AromaticContact CE1-CZ 3.86Å; Y165-F197 HydrophobicContact CE1-CZ 3.86Å; Y165-I213 HydrophobicContact CD1-CD1 3.5Å; Y165-I213 VanDerWaalsContact CD1-CD1 3.5Å; Y165-I213 HydrophobicContact CE1-CD1 4.11Å; Y165-I213 HydrophobicContact CG-CD1 4.23Å
166A95.2Very high90.6Very high8 Ų859.6 Ų59.67%0.06630%0.303CS..Hα-helixtrans-58.9-39.217400000112.8S164 T170 N216 F223S164-A166 PolarHBondContact O-N 3.01Å; A166-T170 WeakPolarHBondContact O-CB 3.26Å; A166-T170 PolarHBondContact O-N 2.94Å; A166-T170 PolarHBondContact O-OG1 3.23Å; A166-N216 PolarHBondContact N-OD1 3.25Å; A166-F223 HydrophobicContact CB-CE2 4.36Å; A166-F223 HydrophobicContact CB-CZ 4.42Å; A166-F223 WeakPolarHBondContact O-CZ 3.21Å
167D95.4Very high92.3Very high63 Ų6353.7 Ų53.734%0.33730%0.303SS..Hα-helixtrans-73-39179.3-52.1-45.7000111.5L163 S164 Y165 T170 K171L163-D167 HydrophobicContact CB-CB 4.22Å; L163-D167 HydrophobicContact CD2-CB 3.98Å; S164-D167 VanDerWaalsContact CB-OD2 3.22Å; S164-D167 WeakPolarHBondContact CB-OD2 3.16Å; S164-D167 PolarHBondContact N-OD2 3.05Å; S164-D167 PolarHBondContact O-N 3.31Å; Y165-D167 VanDerWaalsContact C-N 3.31Å; Y165-D167 PolarHBondContact O-N 3.33Å; D167-T170 WeakPolarHBondContact O-CB 3.49Å; D167-T170 PolarHBondContact O-N 3.09Å; D167-K171 WeakPolarHBondContact O-CG 3.36Å; D167-K171 PolarHBondContact O-N 3.19Å
168L95.7Very high93Very high5 Ų550.5 Ų50.53%0.02630%0.296CS..Hα-helixtrans-62.9-44.4174-66.4179.7000111.6W160 L163 S164 Y165 T170 K171 A172 W189 M190 V194W160-L168 HydrophobicContact CG-CD1 4.3Å; L163-L168 HydrophobicContact CB-CD2 3.94Å; L163-L168 HydrophobicContact CB-CG 4.12Å; L163-L168 HydrophobicContact CD1-CD2 3.72Å; L163-L168 HydrophobicContact CG-CD2 4.48Å; S164-L168 PolarHBondContact O-N 3.25Å; Y165-L168 PolarHBondContact O-N 3.28Å; L168-T170 VanDerWaalsContact C-N 3.29Å; L168-T170 PolarHBondContact O-N 3.47Å; L168-K171 PolarHBondContact O-N 3.36Å; L168-A172 WeakPolarHBondContact O-CB 3.31Å; L168-A172 PolarHBondContact O-N 2.89Å; L168-W189 HydrophobicContact CB-CZ3 4.31Å; L168-W189 WeakPolarHBondContact O-CZ3 3.2Å; L168-M190 HydrophobicContact CB-CE 3.63Å; L168-M190 HydrophobicContact CB-SD 3.73Å; L168-M190 HydrophobicContact CD1-SD 3.98Å; L168-M190 HydrophobicContact CG-SD 4.46Å; L168-V194 HydrophobicContact CD1-CG2 4.23Å; L168-V194 HydrophobicContact CD2-CG2 3.83Å
169I96.5Very high93.6Very high0 Ų053 Ų530%030%0.304CS..Hα-helixtrans-63.2-39175.8-65.1160.3000110.4Y165 A172 I173 I186 M190 I213 N216 L217 F223Y165-I169 WeakPolarHBondContact O-CB 3.19Å; Y165-I169 WeakPolarHBondContact O-CD1 3.47Å; Y165-I169 WeakPolarHBondContact O-CG1 3.28Å; Y165-I169 PolarHBondContact O-N 3.41Å; I169-A172 WeakPolarHBondContact O-CB 3.17Å; I169-A172 PolarHBondContact O-N 3.12Å; I169-I173 HydrophobicContact CG2-CD1 3.94Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 2.88Å; I169-I186 HydrophobicContact CG1-CG2 4.28Å; I169-I186 HydrophobicContact CG2-CD1 4.44Å; I169-M190 HydrophobicContact CB-CE 4.46Å; I169-M190 HydrophobicContact CG1-CE 3.74Å; I169-I213 HydrophobicContact CD1-CD1 3.98Å; I169-I213 HydrophobicContact CD1-CG2 4.16Å; I169-I213 HydrophobicContact CG1-CD1 3.96Å; I169-I213 HydrophobicContact CG1-CG2 4.35Å; I169-N216 HydrophobicContact CD1-CB 3.65Å; I169-L217 HydrophobicContact CD1-CD2 4.45Å; I169-L217 HydrophobicContact CD1-CG 4.24Å; I169-L217 HydrophobicContact CG2-CD2 3.6Å; I169-L217 HydrophobicContact CG2-CG 4.47Å; I169-F223 HydrophobicContact CB-CE1 4.03Å; I169-F223 HydrophobicContact CB-CZ 3.78Å; I169-F223 HydrophobicContact CG2-CD1 3.95Å; I169-F223 HydrophobicContact CG2-CE1 3.4Å; I169-F223 VanDerWaalsContact CG2-CE1 3.4Å; I169-F223 HydrophobicContact CG2-CE2 4.26Å; I169-F223 HydrophobicContact CG2-CZ 3.58Å
170T96.4Very high94.1Very high15 Ų1553.3 Ų53.39%0.09229%0.289CS..Hα-helixtrans-59.1-51.3175.5-55.80000110.3A166 D167 L168 A172 I173 E174 K222 L239A166-T170 WeakPolarHBondContact O-CB 3.26Å; A166-T170 PolarHBondContact O-N 2.94Å; A166-T170 PolarHBondContact O-OG1 3.23Å; D167-T170 WeakPolarHBondContact O-CB 3.49Å; D167-T170 PolarHBondContact O-N 3.09Å; L168-T170 VanDerWaalsContact C-N 3.29Å; L168-T170 PolarHBondContact O-N 3.47Å; T170-A172 VanDerWaalsContact C-N 3.32Å; T170-A172 PolarHBondContact O-N 3.48Å; T170-I173 PolarHBondContact O-N 3.36Å; T170-E174 HydrophobicContact CG2-CG 4.48Å; T170-E174 WeakPolarHBondContact CG2-OE1 3.45Å; T170-E174 WeakPolarHBondContact O-CB 3.45Å; T170-E174 WeakPolarHBondContact O-CG 3.41Å; T170-E174 PolarHBondContact O-N 3.25Å; T170-K222 WeakPolarHBondContact OG1-CE 3.47Å; T170-K222 PolarHBondContact OG1-NZ 3.28Å; T170-L239 HydrophobicContact CG2-CD1 3.86Å; T170-L239 HydrophobicContact CG2-CD2 3.95Å
171K95.8Very high94.6Very high99 Ų9951.9 Ų51.943%0.4329%0.285SS..Hα-helixtrans-61.8-36.4176.2-71.1-174178.4-165.60113.2L163 D167 L168 E174 S175 W189L163-K171 HydrophobicContact CD1-CD 4.33Å; D167-K171 WeakPolarHBondContact O-CG 3.36Å; D167-K171 PolarHBondContact O-N 3.19Å; L168-K171 PolarHBondContact O-N 3.36Å; K171-E174 PolarHBondContact O-N 2.93Å; K171-S175 WeakPolarHBondContact O-CB 3.41Å; K171-S175 PolarHBondContact O-N 3.07Å; K171-S175 PolarHBondContact O-OG 3.2Å; K171-W189 HydrophobicContact CB-CH2 3.69Å; K171-W189 HydrophobicContact CB-CZ2 3.89Å
172A96.9Very high94.9Very high0 Ų051.1 Ų51.10%028%0.275CS..Hα-helixtrans-58.3-55.9174.700000110.9L168 I169 T170 E174 S175 S176 L181 W189L168-A172 WeakPolarHBondContact O-CB 3.31Å; L168-A172 PolarHBondContact O-N 2.89Å; I169-A172 WeakPolarHBondContact O-CB 3.17Å; I169-A172 PolarHBondContact O-N 3.12Å; T170-A172 VanDerWaalsContact C-N 3.32Å; T170-A172 PolarHBondContact O-N 3.48Å; A172-E174 VanDerWaalsContact C-N 3.35Å; A172-E174 PolarHBondContact O-N 2.83Å; A172-S175 PolarHBondContact O-N 2.94Å; A172-S175 PolarHBondContact O-OG 2.9Å; A172-S176 PolarHBondContact O-N 2.84Å; A172-L181 HydrophobicContact CB-CD1 3.99Å; A172-L181 WeakPolarHBondContact O-CD1 3.46Å; A172-W189 VanDerWaalsContact CA-CE2 3.46Å; A172-W189 HydrophobicContact CB-CB 4.16Å; A172-W189 HydrophobicContact CB-CD2 3.42Å; A172-W189 VanDerWaalsContact CB-CD2 3.42Å; A172-W189 HydrophobicContact CB-CE3 3.52Å; A172-W189 HydrophobicContact CB-CG 3.69Å; A172-W189 HydrophobicContact CB-CZ2 4.44Å; A172-W189 HydrophobicContact CB-CZ3 4.1Å
173I96.4Very high95.2Very high0 Ų047.8 Ų47.80%026%0.257CS..Hα-helixtrans-63.1-41.4-180-63.3170.2000110.7I169 T170 S175 S176 K179 F223 W237 L239I169-I173 HydrophobicContact CG2-CD1 3.94Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 2.88Å; T170-I173 PolarHBondContact O-N 3.36Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 3.21Å; I173-S176 PolarHBondContact O-N 3.49Å; I173-S176 PolarHBondContact O-OG 3.37Å; I173-K179 WeakPolarHBondContact CG2-O 3.15Å; I173-F223 HydrophobicContact CD1-CD1 3.96Å; I173-F223 HydrophobicContact CD1-CE1 4.23Å; I173-W237 HydrophobicContact CD1-CB 4.4Å; I173-L239 HydrophobicContact CB-CD1 4.14Å; I173-L239 HydrophobicContact CB-CG 4.18Å; I173-L239 HydrophobicContact CD1-CG 4.34Å; I173-L239 HydrophobicContact CG2-CB 4.44Å; I173-L239 HydrophobicContact CG2-CD1 4.02Å; I173-L239 HydrophobicContact CG2-CG 3.92Å
174E95.9Very high95.3Very high96 Ų9648.1 Ų48.145%0.44926%0.264SS..Hα-helixtrans-63.6-32176.1-76.4172.1173.500113.9T170 K171 A172 S176 K179 L239T170-E174 HydrophobicContact CG2-CG 4.48Å; T170-E174 WeakPolarHBondContact CG2-OE1 3.45Å; T170-E174 WeakPolarHBondContact O-CB 3.45Å; T170-E174 WeakPolarHBondContact O-CG 3.41Å; T170-E174 PolarHBondContact O-N 3.25Å; K171-E174 PolarHBondContact O-N 2.93Å; A172-E174 VanDerWaalsContact C-N 3.35Å; A172-E174 PolarHBondContact O-N 2.83Å; E174-S176 VanDerWaalsContact C-N 3.28Å; E174-S176 PolarHBondContact O-N 3.25Å; E174-K179 PolarHBondContact O-NZ 3.49Å; E174-L239 HydrophobicContact CG-CD1 3.63Å
175S95.7Very high95.4Very high72 Ų7249 Ų4950%0.50326%0.262SS..Hα-helixtrans-75.4-16177.674.80000113.8K171 A172 I173 W189K171-S175 WeakPolarHBondContact O-CB 3.41Å; K171-S175 PolarHBondContact O-N 3.07Å; K171-S175 PolarHBondContact O-OG 3.2Å; A172-S175 PolarHBondContact O-N 2.94Å; A172-S175 PolarHBondContact O-OG 2.9Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 3.21Å; S175-W189 VanDerWaalsContact OG-CD1 3.32Å; S175-W189 PolarHBondContact OG-NE1 2.98Å
176S95.1Very high95.5Very high17 Ų1747.1 Ų47.112%0.11926%0.255CS..SBendtrans-76137.617474.20000111A172 I173 E174 E178 K179 R180A172-S176 PolarHBondContact O-N 2.84Å; I173-S176 PolarHBondContact O-N 3.49Å; I173-S176 PolarHBondContact O-OG 3.37Å; E174-S176 VanDerWaalsContact C-N 3.28Å; E174-S176 PolarHBondContact O-N 3.25Å; S176-E178 PolarHBondContact O-N 3.25Å; S176-K179 PolarHBondContact O-N 2.84Å; S176-K179 VanDerWaalsContact O-N 3.16Å; S176-K179 VanDerWaalsContact OG-CA 3.29Å; S176-K179 WeakPolarHBondContact OG-CA 3.2Å; S176-K179 PolarHBondContact OG-N 2.91Å; S176-R180 PolarHBondContact OG-N 3.15Å; S176-R180 VanDerWaalsContact OG-N 3.07Å; S176-R180 PolarHBondContact OG-O 3.23Å
177A93.6Very high95.5Very high106 Ų10648.5 Ų48.588%0.87626%0.259SS*.THydrogen-bonded Turntrans-58.8-38.7179.200000112.1K179A177-K179 VanDerWaalsContact C-N 3.33Å; A177-K179 PolarHBondContact O-N 3.25Å
178E91.3Very high95.4Very high111 Ų11150.6 Ų50.652%0.51927%0.266SS..THydrogen-bonded Turntrans-86.72.4-178-56.7-172.614400113.8S176 R180S176-E178 PolarHBondContact O-N 3.25Å; E178-R180 HydrophobicContact CB-CG 3.73Å; E178-R180 PolarHBondContact O-N 2.89Å; E178-R180 VanDerWaalsContact O-N 3.08Å; E178-R180 IonicContact OE1-NH2 3.04Å; E178-R180 PolarHBondContact OE1-NH2 3.33Å; E178-R180 IonicContact OE2-CZ 3.23Å; E178-R180 VanDerWaalsContact OE2-CZ 3.23Å; E178-R180 IonicContact OE2-NE 3.51Å; E178-R180 PolarHBondContact OE2-NE 3.31Å; E178-R180 IonicContact OE2-NH2 2.89Å; E178-R180 PolarHBondContact OE2-NH2 3.39Å
179K94.6Very high95.4Very high117 Ų11752 Ų5251%0.50927%0.272SS..SBendtrans51.228.9-174.1-55.5-63.7179.8178.70114.1I173 E174 S176 A177I173-K179 WeakPolarHBondContact CG2-O 3.15Å; E174-K179 PolarHBondContact O-NZ 3.49Å; S176-K179 PolarHBondContact O-N 2.84Å; S176-K179 VanDerWaalsContact O-N 3.16Å; S176-K179 VanDerWaalsContact OG-CA 3.29Å; S176-K179 WeakPolarHBondContact OG-CA 3.2Å; S176-K179 PolarHBondContact OG-N 2.91Å; A177-K179 VanDerWaalsContact C-N 3.33Å; A177-K179 PolarHBondContact O-N 3.25Å
180R94.4Very high95.4Very high80 Ų8052 Ų5230%0.30227%0.272SS..EExtended strand (participates in β ladder)trans-143139.6178.769.5-174.9177.6-174.4-5.6110.1S176 E178 W236 W237 M238S176-R180 PolarHBondContact OG-N 3.15Å; S176-R180 VanDerWaalsContact OG-N 3.07Å; S176-R180 PolarHBondContact OG-O 3.23Å; E178-R180 HydrophobicContact CB-CG 3.73Å; E178-R180 PolarHBondContact O-N 2.89Å; E178-R180 VanDerWaalsContact O-N 3.08Å; E178-R180 IonicContact OE1-NH2 3.04Å; E178-R180 PolarHBondContact OE1-NH2 3.33Å; E178-R180 IonicContact OE2-CZ 3.23Å; E178-R180 VanDerWaalsContact OE2-CZ 3.23Å; E178-R180 IonicContact OE2-NE 3.51Å; E178-R180 PolarHBondContact OE2-NE 3.31Å; E178-R180 IonicContact OE2-NH2 2.89Å; E178-R180 PolarHBondContact OE2-NH2 3.39Å; R180-W236 HydrophobicContact CB-CB 4.44Å; R180-W236 HydrophobicContact CB-CE3 4.15Å; R180-W236 HydrophobicContact CG-CD2 4.1Å; R180-W236 HydrophobicContact CG-CE3 3.75Å; R180-W236 HydrophobicContact CG-CZ3 4.17Å; R180-W237 WeakPolarHBondContact CA-O 3.36Å; R180-M238 HydrophobicContact CB-CG 3.43Å; R180-M238 VanDerWaalsContact CB-CG 3.43Å; R180-M238 HydrophobicContact CB-SD 3.68Å
181L96.6Very high95.3Very high16 Ų1653 Ų538%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-138.3145.2175-71.9-177.5000110.9A172 Q185 I186 W237A172-L181 HydrophobicContact CB-CD1 3.99Å; A172-L181 WeakPolarHBondContact O-CD1 3.46Å; L181-Q185 HydrophobicContact CB-CB 4.31Å; L181-Q185 HydrophobicContact CD2-CB 3.93Å; L181-I186 HydrophobicContact CB-CD1 4.39Å; L181-I186 HydrophobicContact CB-CG1 3.83Å; L181-I186 HydrophobicContact CD1-CG1 4.11Å; L181-W237 PolarHBondContact N-O 2.93Å; L181-W237 WeakPolarHBondContact O-CB 3.49Å; L181-W237 PolarHBondContact O-N 3.17Å
182T96.4Very high95.1Very high11 Ų1156.3 Ų56.37%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-73.9163.1166.763.50000110.7S184 Q185 I186 W236T182-S184 VanDerWaalsContact C-N 3.26Å; T182-S184 PolarHBondContact O-N 2.72Å; T182-Q185 PolarHBondContact O-N 3.12Å; T182-Q185 VanDerWaalsContact OG1-CD 3.31Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.48Å; T182-Q185 PolarHBondContact OG1-N 3.01Å; T182-Q185 PolarHBondContact OG1-OE1 2.98Å; T182-I186 WeakPolarHBondContact O-CG1 3.22Å; T182-I186 PolarHBondContact O-N 2.72Å; T182-I186 VanDerWaalsContact O-N 3.09Å; T182-W236 HydrophobicContact CG2-CD2 4.27Å; T182-W236 HydrophobicContact CG2-CE3 3.78Å; T182-W236 HydrophobicContact CG2-CH2 4.07Å; T182-W236 HydrophobicContact CG2-CZ3 3.67Å
183L95.8Very high94.9Very high43 Ų4359 Ų5923%0.22531%0.31CS..Hα-helixtrans-58.1-35.7177.9-177.560.9000113.2I186 Y187 I213 R214 L217L183-I186 PolarHBondContact O-N 2.87Å; L183-Y187 HydrophobicContact CD1-CE1 3.83Å; L183-Y187 HydrophobicContact CD1-CE2 4.44Å; L183-Y187 HydrophobicContact CD2-CE2 4.5Å; L183-Y187 WeakPolarHBondContact CD2-OH 3.42Å; L183-Y187 HydrophobicContact CG-CE1 4.22Å; L183-Y187 HydrophobicContact CG-CE2 3.92Å; L183-Y187 WeakPolarHBondContact CG-OH 3.39Å; L183-Y187 WeakPolarHBondContact O-CD2 3.44Å; L183-Y187 PolarHBondContact O-N 3.38Å; L183-I213 HydrophobicContact CD1-CG2 4.32Å; L183-R214 HydrophobicContact CD1-CG 4.05Å; L183-R214 HydrophobicContact CD2-CG 4Å; L183-L217 HydrophobicContact CD1-CD1 3.59Å
184S94.9Very high94.7Very high61 Ų6159.5 Ų59.543%0.42731%0.314SS..Hα-helixtrans-64.9-48.7176-166.30000111.5T182 I186 Y187 E188T182-S184 VanDerWaalsContact C-N 3.26Å; T182-S184 PolarHBondContact O-N 2.72Å; S184-I186 PolarHBondContact O-N 2.63Å; S184-Y187 WeakPolarHBondContact O-CA 3.48Å; S184-Y187 WeakPolarHBondContact O-CB 3.45Å; S184-Y187 PolarHBondContact O-N 3.29Å; S184-E188 WeakPolarHBondContact CB-OE1 3.38Å; S184-E188 PolarHBondContact O-N 3.39Å; S184-E188 PolarHBondContact OG-OE1 2.79Å
185Q95.8Very high94.4Very high69 Ų6959.6 Ų59.632%0.32232%0.323SS..Hα-helixtrans-63.3-29.7-179.7-67.8164.3-50.200112.4L181 T182 W189L181-Q185 HydrophobicContact CB-CB 4.31Å; L181-Q185 HydrophobicContact CD2-CB 3.93Å; T182-Q185 PolarHBondContact O-N 3.12Å; T182-Q185 VanDerWaalsContact OG1-CD 3.31Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.48Å; T182-Q185 PolarHBondContact OG1-N 3.01Å; T182-Q185 PolarHBondContact OG1-OE1 2.98Å; Q185-W189 VanDerWaalsContact O-CB 3.26Å; Q185-W189 WeakPolarHBondContact O-CB 3.46Å; Q185-W189 PolarHBondContact O-N 2.82Å
186I96.4Very high94Very high0 Ų060.7 Ų60.70%032%0.317CS..Hα-helixtrans-65.8-42.1171.2-64.5168.3000110.3I169 L181 T182 L183 S184 W189 M190 I213 L217 W237I169-I186 HydrophobicContact CG1-CG2 4.28Å; I169-I186 HydrophobicContact CG2-CD1 4.44Å; L181-I186 HydrophobicContact CB-CD1 4.39Å; L181-I186 HydrophobicContact CB-CG1 3.83Å; L181-I186 HydrophobicContact CD1-CG1 4.11Å; T182-I186 WeakPolarHBondContact O-CG1 3.22Å; T182-I186 PolarHBondContact O-N 2.72Å; T182-I186 VanDerWaalsContact O-N 3.09Å; L183-I186 PolarHBondContact O-N 2.87Å; S184-I186 PolarHBondContact O-N 2.63Å; I186-W189 PolarHBondContact O-N 2.96Å; I186-M190 HydrophobicContact CG2-CE 3.97Å; I186-M190 VanDerWaalsContact O-CG 3.26Å; I186-M190 WeakPolarHBondContact O-CG 3.38Å; I186-M190 PolarHBondContact O-N 3.3Å; I186-I213 HydrophobicContact CG2-CG2 3.8Å; I186-L217 HydrophobicContact CD1-CD1 4.1Å; I186-L217 HydrophobicContact CD1-CD2 4.14Å; I186-W237 HydrophobicContact CD1-CB 4.07Å; I186-W237 HydrophobicContact CD1-CG 4.36Å
187Y95Very high93.7Very high37 Ų3760 Ų6015%0.14531%0.311CS..Hα-helixtrans-62.6-46.7174.5-54.5-36.9000111.9L183 S184 W189 M190 V191 W209 K210 I213 R214L183-Y187 HydrophobicContact CD1-CE1 3.83Å; L183-Y187 HydrophobicContact CD1-CE2 4.44Å; L183-Y187 HydrophobicContact CD2-CE2 4.5Å; L183-Y187 WeakPolarHBondContact CD2-OH 3.42Å; L183-Y187 HydrophobicContact CG-CE1 4.22Å; L183-Y187 HydrophobicContact CG-CE2 3.92Å; L183-Y187 WeakPolarHBondContact CG-OH 3.39Å; L183-Y187 WeakPolarHBondContact O-CD2 3.44Å; L183-Y187 PolarHBondContact O-N 3.38Å; S184-Y187 WeakPolarHBondContact O-CA 3.48Å; S184-Y187 WeakPolarHBondContact O-CB 3.45Å; S184-Y187 PolarHBondContact O-N 3.29Å; Y187-W189 VanDerWaalsContact C-N 3.31Å; Y187-W189 PolarHBondContact O-N 2.99Å; Y187-M190 PolarHBondContact O-N 2.95Å; Y187-V191 WeakPolarHBondContact O-CG2 3.41Å; Y187-V191 PolarHBondContact O-N 3.13Å; Y187-V191 VanDerWaalsContact O-N 3.15Å; Y187-W209 HydrophobicContact CD1-CH2 4.47Å; Y187-W209 HydrophobicContact CD1-CZ3 4.07Å; Y187-K210 HydrophobicContact CD1-CB 4.21Å; Y187-K210 HydrophobicContact CD1-CD 4.42Å; Y187-K210 HydrophobicContact CD1-CG 3.82Å; Y187-K210 HydrophobicContact CD2-CD 4.25Å; Y187-K210 HydrophobicContact CE1-CB 3.74Å; Y187-K210 HydrophobicContact CE1-CG 3.88Å; Y187-K210 HydrophobicContact CE2-CD 4.42Å; Y187-K210 HydrophobicContact CG-CD 4.25Å; Y187-K210 HydrophobicContact CG-CG 4.14Å; Y187-I213 HydrophobicContact CD1-CG2 4.4Å; Y187-I213 HydrophobicContact CE1-CB 4.18Å; Y187-I213 HydrophobicContact CE1-CG2 4.09Å; Y187-R214 WeakPolarHBondContact OH-CG 3.09Å; Y187-R214 PolarHBondContact OH-NH1 2.91Å; Y187-R214 VanDerWaalsContact OH-NH1 3.17Å
188E95Very high93.4Very high107 Ų10760.9 Ų60.950%0.530%0.295SS..Hα-helixtrans-59.7-41.3177-67.5154.1-137.700111.6S184 V191 K192S184-E188 WeakPolarHBondContact CB-OE1 3.38Å; S184-E188 PolarHBondContact O-N 3.39Å; S184-E188 PolarHBondContact OG-OE1 2.79Å; E188-V191 PolarHBondContact O-N 3.01Å; E188-K192 WeakPolarHBondContact O-CB 3.47Å; E188-K192 PolarHBondContact O-N 3.34Å
189W95.9Very high93Very high35 Ų3562 Ų6213%0.13331%0.305CS..Hα-helixtrans-63.6-42.8175.5-173.498.4000112.3L168 K171 A172 S175 Q185 I186 Y187 V191 K192 S193 V194L168-W189 HydrophobicContact CB-CZ3 4.31Å; L168-W189 WeakPolarHBondContact O-CZ3 3.2Å; K171-W189 HydrophobicContact CB-CH2 3.69Å; K171-W189 HydrophobicContact CB-CZ2 3.89Å; A172-W189 VanDerWaalsContact CA-CE2 3.46Å; A172-W189 HydrophobicContact CB-CB 4.16Å; A172-W189 HydrophobicContact CB-CD2 3.42Å; A172-W189 VanDerWaalsContact CB-CD2 3.42Å; A172-W189 HydrophobicContact CB-CE3 3.52Å; A172-W189 HydrophobicContact CB-CG 3.69Å; A172-W189 HydrophobicContact CB-CZ2 4.44Å; A172-W189 HydrophobicContact CB-CZ3 4.1Å; S175-W189 VanDerWaalsContact OG-CD1 3.32Å; S175-W189 PolarHBondContact OG-NE1 2.98Å; Q185-W189 VanDerWaalsContact O-CB 3.26Å; Q185-W189 WeakPolarHBondContact O-CB 3.46Å; Q185-W189 PolarHBondContact O-N 2.82Å; I186-W189 PolarHBondContact O-N 2.96Å; Y187-W189 VanDerWaalsContact C-N 3.31Å; Y187-W189 PolarHBondContact O-N 2.99Å; W189-V191 VanDerWaalsContact C-N 3.34Å; W189-V191 PolarHBondContact O-N 3.17Å; W189-K192 PolarHBondContact O-N 3.3Å; W189-S193 VanDerWaalsContact CE2-OG 3.3Å; W189-S193 PolarHBondContact NE1-OG 3.5Å; W189-S193 VanDerWaalsContact O-CB 3.24Å; W189-S193 WeakPolarHBondContact O-CB 3.44Å; W189-S193 PolarHBondContact O-N 2.78Å; W189-S193 PolarHBondContact O-OG 2.85Å; W189-V194 HydrophobicContact CZ3-CG2 4.3Å
190M94.7Very high92.4Very high0 Ų060.5 Ų60.50%030%0.298CS..Hα-helixtrans-58.5-47.4176.9-66.9-69.116200111L168 I169 I186 Y187 V194 F197 W209 I213L168-M190 HydrophobicContact CB-CE 3.63Å; L168-M190 HydrophobicContact CB-SD 3.73Å; L168-M190 HydrophobicContact CD1-SD 3.98Å; L168-M190 HydrophobicContact CG-SD 4.46Å; I169-M190 HydrophobicContact CB-CE 4.46Å; I169-M190 HydrophobicContact CG1-CE 3.74Å; I186-M190 HydrophobicContact CG2-CE 3.97Å; I186-M190 VanDerWaalsContact O-CG 3.26Å; I186-M190 WeakPolarHBondContact O-CG 3.38Å; I186-M190 PolarHBondContact O-N 3.3Å; Y187-M190 PolarHBondContact O-N 2.95Å; M190-V194 WeakPolarHBondContact O-CB 3.38Å; M190-V194 PolarHBondContact O-N 2.89Å; M190-F197 HydrophobicContact CB-CD2 4.4Å; M190-W209 HydrophobicContact CB-CH2 4.1Å; M190-W209 HydrophobicContact CB-CZ3 3.85Å; M190-W209 HydrophobicContact CG-CZ3 4.05Å; M190-I213 HydrophobicContact CE-CD1 3.76Å; M190-I213 HydrophobicContact CG-CD1 4.44Å; M190-I213 HydrophobicContact SD-CD1 4.29Å
191V94.2Very high91.5Very high36 Ų3657.6 Ų57.622%0.21829%0.293CS..Hα-helixtrans-62.7-42.9178.2177.70000110.8Y187 E188 W189 K198 G201 W209Y187-V191 WeakPolarHBondContact O-CG2 3.41Å; Y187-V191 PolarHBondContact O-N 3.13Å; Y187-V191 VanDerWaalsContact O-N 3.15Å; E188-V191 PolarHBondContact O-N 3.01Å; W189-V191 VanDerWaalsContact C-N 3.34Å; W189-V191 PolarHBondContact O-N 3.17Å; V191-K198 WeakPolarHBondContact O-CG 3.36Å; V191-G201 VanDerWaalsContact CG2-CA 3.49Å; V191-W209 HydrophobicContact CG2-CH2 3.99Å; V191-W209 HydrophobicContact CG2-CZ2 3.96Å
192K93.1Very high90.4Very high169 Ų16963.8 Ų63.874%0.73533%0.327SS*.Hα-helixtrans-72.2-39.7-178.3-171.7173.965.3173.90113.7E188 W189E188-K192 WeakPolarHBondContact O-CB 3.47Å; E188-K192 PolarHBondContact O-N 3.34Å; W189-K192 PolarHBondContact O-N 3.3Å
193S92.1Very high89.4Confident55 Ų5565.9 Ų65.939%0.38534%0.341SS..Hα-helixtrans-100.9-18.7-167-62.90000114.5W189W189-S193 VanDerWaalsContact CE2-OG 3.3Å; W189-S193 PolarHBondContact NE1-OG 3.5Å; W189-S193 VanDerWaalsContact O-CB 3.24Å; W189-S193 WeakPolarHBondContact O-CB 3.44Å; W189-S193 PolarHBondContact O-N 2.78Å; W189-S193 PolarHBondContact O-OG 2.85Å
194V91.5Very high88.2Confident11 Ų1171.1 Ų71.17%0.06737%0.37CS..  trans-117.8110-177.8-179.90000109.2W160 L168 W189 M190 Y196 F197W160-V194 HydrophobicContact CB-CG1 3.38Å; W160-V194 HydrophobicContact CG-CG1 4.13Å; L168-V194 HydrophobicContact CD1-CG2 4.23Å; L168-V194 HydrophobicContact CD2-CG2 3.83Å; W189-V194 HydrophobicContact CZ3-CG2 4.3Å; M190-V194 WeakPolarHBondContact O-CB 3.38Å; M190-V194 PolarHBondContact O-N 2.89Å; V194-Y196 PolarHBondContact O-N 3.04Å; V194-F197 HydrophobicContact CB-CD2 3.88Å; V194-F197 HydrophobicContact CG1-CD2 3.65Å; V194-F197 HydrophobicContact CG1-CE2 4.06Å; V194-F197 PolarHBondContact O-N 3.49Å
195P90.1Very high86.8Confident99 Ų9973.2 Ų73.264%0.64338%0.384SS*.Hα-helixtrans-50.8-38.5-173.9-31.336.3000114.6F197 K198P195-F197 PolarHBondContact O-N 3.12Å; P195-K198 WeakPolarHBondContact O-CB 3.46Å; P195-K198 PolarHBondContact O-N 3.29Å
196Y88.3Confident85.8Confident95 Ų9570.1 Ų70.137%0.37337%0.371SS..Hα-helixtrans-59.4-25.9179.1179.3-100.4000115.2A159 W160 V194 K200A159-Y196 HydrophobicContact CB-CD1 4.43Å; A159-Y196 HydrophobicContact CB-CD2 3.42Å; A159-Y196 VanDerWaalsContact CB-CD2 3.42Å; A159-Y196 HydrophobicContact CB-CE1 4.37Å; A159-Y196 HydrophobicContact CB-CE2 3.35Å; A159-Y196 HydrophobicContact CB-CG 3.99Å; W160-Y196 AromaticContact CE3-CD1 3.53Å; W160-Y196 HydrophobicContact CE3-CD1 3.53Å; W160-Y196 AromaticContact CE3-CE1 3.82Å; W160-Y196 HydrophobicContact CE3-CE1 3.82Å; W160-Y196 HydrophobicContact CE3-CG 4.21Å; W160-Y196 HydrophobicContact CZ3-CD1 4.04Å; W160-Y196 AromaticContact CZ3-CE1 3.84Å; W160-Y196 HydrophobicContact CZ3-CE1 3.84Å; V194-Y196 PolarHBondContact O-N 3.04Å; Y196-K200 HydrophobicContact CE1-CD 4.23Å; Y196-K200 WeakPolarHBondContact O-CD 3.34Å; Y196-K200 WeakPolarHBondContact O-CE 3.39Å
197F88.2Confident84.9Confident1 Ų173 Ų730%0.00439%0.394CS..Hα-helixtrans-98.3-6.9-179.3-65.4-66.4000113.6W160 Y165 M190 V194 P195 D199 K200 G201 W209W160-F197 AromaticContact CD2-CE2 4Å; W160-F197 HydrophobicContact CD2-CE2 4Å; W160-F197 HydrophobicContact CD2-CZ 4.19Å; W160-F197 AromaticContact CE3-CE2 3.88Å; W160-F197 HydrophobicContact CE3-CE2 3.88Å; W160-F197 AromaticContact CE3-CZ 3.69Å; W160-F197 HydrophobicContact CE3-CZ 3.69Å; W160-F197 HydrophobicContact CG-CE2 4.43Å; W160-F197 HydrophobicContact CH2-CZ 4.18Å; W160-F197 HydrophobicContact CZ3-CE2 4.33Å; W160-F197 AromaticContact CZ3-CZ 3.69Å; W160-F197 HydrophobicContact CZ3-CZ 3.69Å; Y165-F197 HydrophobicContact CE1-CE2 4.41Å; Y165-F197 AromaticContact CE1-CZ 3.86Å; Y165-F197 HydrophobicContact CE1-CZ 3.86Å; M190-F197 HydrophobicContact CB-CD2 4.4Å; V194-F197 HydrophobicContact CB-CD2 3.88Å; V194-F197 HydrophobicContact CG1-CD2 3.65Å; V194-F197 HydrophobicContact CG1-CE2 4.06Å; V194-F197 PolarHBondContact O-N 3.49Å; P195-F197 PolarHBondContact O-N 3.12Å; F197-D199 PolarHBondContact O-N 2.98Å; F197-K200 CarbonylContact O-C 3.6Å; F197-K200 PolarHBondContact O-N 3.23Å; F197-K200 VanDerWaalsContact O-N 3.14Å; F197-G201 PolarHBondContact O-N 3.32Å; F197-W209 HydrophobicContact CD1-CB 4.41Å; F197-W209 AromaticContact CD1-CD1 3.96Å; F197-W209 AromaticContact CD1-CD2 3.81Å; F197-W209 HydrophobicContact CD1-CD2 3.81Å; F197-W209 AromaticContact CD1-CE2 3.93Å; F197-W209 HydrophobicContact CD1-CE3 4.35Å; F197-W209 AromaticContact CD1-CG 3.85Å; F197-W209 HydrophobicContact CD1-CG 3.85Å; F197-W209 AromaticContact CD1-NE1 3.99Å; F197-W209 HydrophobicContact CE1-CB 3.66Å; F197-W209 AromaticContact CE1-CD1 4Å; F197-W209 AromaticContact CE1-CD2 3.9Å; F197-W209 HydrophobicContact CE1-CD2 3.9Å; F197-W209 HydrophobicContact CE1-CE3 4.37Å; F197-W209 AromaticContact CE1-CG 3.59Å; F197-W209 HydrophobicContact CE1-CG 3.59Å; F197-W209 HydrophobicContact CZ-CB 4.37Å
198K86.9Confident84.7Confident125 Ų12573.5 Ų73.554%0.54341%0.411SS..Hα-helixtrans-54.2-54.1178.4-71.4178.669.3-176.40111.3V191 P195 K200V191-K198 WeakPolarHBondContact O-CG 3.36Å; P195-K198 WeakPolarHBondContact O-CB 3.46Å; P195-K198 PolarHBondContact O-N 3.29Å; K198-K200 PolarHBondContact O-N 2.75Å; K198-K200 VanDerWaalsContact O-N 3.14Å
199D83.6Confident84.5Confident136 Ų13669.3 Ų69.373%0.72739%0.391SS*.THydrogen-bonded Turntrans-83.816.2-176.6-35.3-47.9000112.5F197F197-D199 PolarHBondContact O-N 2.98Å
200K81.1Confident84.4Confident84 Ų8469.6 Ų69.637%0.36539%0.393SS..THydrogen-bonded Turntrans-137.318.4-175.6-53.2-173.4-170.6-55.80112.5Y196 F197 K198 S206 W209Y196-K200 HydrophobicContact CE1-CD 4.23Å; Y196-K200 WeakPolarHBondContact O-CD 3.34Å; Y196-K200 WeakPolarHBondContact O-CE 3.39Å; F197-K200 CarbonylContact O-C 3.6Å; F197-K200 PolarHBondContact O-N 3.23Å; F197-K200 VanDerWaalsContact O-N 3.14Å; K198-K200 PolarHBondContact O-N 2.75Å; K198-K200 VanDerWaalsContact O-N 3.14Å; K200-S206 PolarHBondContact O-OG 3.27Å; K200-W209 PolarHBondContact O-NE1 2.94Å
201G75.9Confident84.4Confident19 Ų1973.8 Ų73.820%0.19642%0.415CS..SBendtrans-85-35.5-174.900000114.5V191 F197 S206 K210V191-G201 VanDerWaalsContact CG2-CA 3.49Å; F197-G201 PolarHBondContact O-N 3.32Å; G201-S206 PolarHBondContact O-OG 3.49Å; G201-K210 PolarHBondContact O-NZ 3.29Å
202D72.9Confident84.5Confident147 Ų14774 Ų7479%0.78642%0.418SS*.SBendtrans-100-38.5-170.760.4-22.4000113.3
203S76.7Confident84.6Confident54 Ų5465.9 Ų65.938%0.37838%0.383SS..SBendtrans-59.1140.7-178.7-1740000112.4S205 S206S203-S205 PolarHBondContact O-N 2.83Å; S203-S205 VanDerWaalsContact O-N 3.07Å; S203-S205 PolarHBondContact OG-OG 3.03Å; S203-S206 WeakPolarHBondContact O-CB 3.17Å; S203-S206 PolarHBondContact O-N 3.49Å; S203-S206 PolarHBondContact O-OG 2.7Å
204N70.6Confident84.8Confident153 Ų15368.1 Ų68.182%0.81838%0.383SS*.G310 helixtrans-55.3-27.8174.7-16828.8000112.3S206 A207N204-S206 PolarHBondContact O-N 3Å; N204-A207 PolarHBondContact O-N 3.06Å
205S65.8Low85.1Confident105 Ų10572.4 Ų72.473%0.73440%0.402SS*.G310 helixtrans-57.8-10.8170.6-55.30000114.5S203 A207S203-S205 PolarHBondContact O-N 2.83Å; S203-S205 VanDerWaalsContact O-N 3.07Å; S203-S205 PolarHBondContact OG-OG 3.03Å; S205-A207 PolarHBondContact O-N 3.37Å; S205-A207 VanDerWaalsContact O-N 3.14Å
206S73.3Confident85.4Confident5 Ų568.4 Ų68.44%0.03538%0.375CS..G310 helixtrans-55.2-23.9169.9-62.40000114.2K200 G201 S203 N204 G208 W209 K210K200-S206 PolarHBondContact O-OG 3.27Å; G201-S206 PolarHBondContact O-OG 3.49Å; S203-S206 WeakPolarHBondContact O-CB 3.17Å; S203-S206 PolarHBondContact O-N 3.49Å; S203-S206 PolarHBondContact O-OG 2.7Å; N204-S206 PolarHBondContact O-N 3Å; S206-G208 PolarHBondContact O-N 2.88Å; S206-G208 VanDerWaalsContact O-N 3.15Å; S206-W209 PolarHBondContact O-N 3.32Å; S206-K210 WeakPolarHBondContact O-CB 3.36Å; S206-K210 WeakPolarHBondContact O-CG 3.43Å; S206-K210 PolarHBondContact O-N 3.29Å; S206-K210 PolarHBondContact OG-NZ 3.29Å
207A78.6Confident85.8Confident59 Ų5964 Ų6449%0.48836%0.358SS..Hα-helixtrans-53.4-39.2-168.500000113.5N204 S205 N211N204-A207 PolarHBondContact O-N 3.06Å; S205-A207 PolarHBondContact O-N 3.37Å; S205-A207 VanDerWaalsContact O-N 3.14Å; A207-N211 VanDerWaalsContact O-CB 3.29Å; A207-N211 WeakPolarHBondContact O-CB 3.41Å; A207-N211 PolarHBondContact O-N 2.87Å
208G89.4Confident86.1Confident49 Ų4968.2 Ų68.251%0.50539%0.388SS..Hα-helixtrans-62.8-55.3-178.900000113.3S206 N211 S212S206-G208 PolarHBondContact O-N 2.88Å; S206-G208 VanDerWaalsContact O-N 3.15Å; G208-N211 WeakPolarHBondContact O-CB 3.48Å; G208-N211 PolarHBondContact O-N 2.9Å; G208-S212 PolarHBondContact O-N 3.02Å; G208-S212 VanDerWaalsContact O-N 3.11Å; G208-S212 PolarHBondContact O-OG 3.38Å
209W91.8Very high86.4Confident18 Ų1867 Ų677%0.06839%0.387CS..Hα-helixtrans-70.1-38.4-17973.1-102.8000111.9Y187 M190 V191 F197 K200 S206 N211 S212 I213Y187-W209 HydrophobicContact CD1-CH2 4.47Å; Y187-W209 HydrophobicContact CD1-CZ3 4.07Å; M190-W209 HydrophobicContact CB-CH2 4.1Å; M190-W209 HydrophobicContact CB-CZ3 3.85Å; M190-W209 HydrophobicContact CG-CZ3 4.05Å; V191-W209 HydrophobicContact CG2-CH2 3.99Å; V191-W209 HydrophobicContact CG2-CZ2 3.96Å; F197-W209 HydrophobicContact CD1-CB 4.41Å; F197-W209 AromaticContact CD1-CD1 3.96Å; F197-W209 AromaticContact CD1-CD2 3.81Å; F197-W209 HydrophobicContact CD1-CD2 3.81Å; F197-W209 AromaticContact CD1-CE2 3.93Å; F197-W209 HydrophobicContact CD1-CE3 4.35Å; F197-W209 AromaticContact CD1-CG 3.85Å; F197-W209 HydrophobicContact CD1-CG 3.85Å; F197-W209 AromaticContact CD1-NE1 3.99Å; F197-W209 HydrophobicContact CE1-CB 3.66Å; F197-W209 AromaticContact CE1-CD1 4Å; F197-W209 AromaticContact CE1-CD2 3.9Å; F197-W209 HydrophobicContact CE1-CD2 3.9Å; F197-W209 HydrophobicContact CE1-CE3 4.37Å; F197-W209 AromaticContact CE1-CG 3.59Å; F197-W209 HydrophobicContact CE1-CG 3.59Å; F197-W209 HydrophobicContact CZ-CB 4.37Å; K200-W209 PolarHBondContact O-NE1 2.94Å; S206-W209 PolarHBondContact O-N 3.32Å; W209-N211 PolarHBondContact O-N 3.01Å; W209-S212 WeakPolarHBondContact O-CB 3.33Å; W209-S212 PolarHBondContact O-N 3.48Å; W209-S212 VanDerWaalsContact O-N 3.1Å; W209-I213 HydrophobicContact CE3-CG1 4.13Å; W209-I213 HydrophobicContact CZ3-CG1 4.33Å; W209-I213 PolarHBondContact O-N 2.67Å; W209-I213 VanDerWaalsContact O-N 3.08Å
210K93.9Very high86.9Confident42 Ų4263.9 Ų63.918%0.18337%0.368CS..Hα-helixtrans-60.8-31.6173.3-69.1179.1179.7154.20111.3Y187 G201 S206 R214Y187-K210 HydrophobicContact CD1-CB 4.21Å; Y187-K210 HydrophobicContact CD1-CD 4.42Å; Y187-K210 HydrophobicContact CD1-CG 3.82Å; Y187-K210 HydrophobicContact CD2-CD 4.25Å; Y187-K210 HydrophobicContact CE1-CB 3.74Å; Y187-K210 HydrophobicContact CE1-CG 3.88Å; Y187-K210 HydrophobicContact CE2-CD 4.42Å; Y187-K210 HydrophobicContact CG-CD 4.25Å; Y187-K210 HydrophobicContact CG-CG 4.14Å; G201-K210 PolarHBondContact O-NZ 3.29Å; S206-K210 WeakPolarHBondContact O-CB 3.36Å; S206-K210 WeakPolarHBondContact O-CG 3.43Å; S206-K210 PolarHBondContact O-N 3.29Å; S206-K210 PolarHBondContact OG-NZ 3.29Å; K210-R214 PolarHBondContact O-N 3.4Å; K210-R214 PolarHBondContact O-NH1 3.38Å
211N94.6Very high87.4Confident87 Ų8764.9 Ų64.947%0.46539%0.385SS..Hα-helixtrans-70-43172.3-161.736.8000112.7A207 G208 W209 I213 R214 H215A207-N211 VanDerWaalsContact O-CB 3.29Å; A207-N211 WeakPolarHBondContact O-CB 3.41Å; A207-N211 PolarHBondContact O-N 2.87Å; G208-N211 WeakPolarHBondContact O-CB 3.48Å; G208-N211 PolarHBondContact O-N 2.9Å; W209-N211 PolarHBondContact O-N 3.01Å; N211-I213 PolarHBondContact O-N 3.31Å; N211-R214 PolarHBondContact O-N 2.87Å; N211-R214 VanDerWaalsContact O-N 3.13Å; N211-R214 PolarHBondContact OD1-NH2 3.44Å; N211-H215 PolarHBondContact O-N 3.31Å
212S95.3Very high88.3Confident40 Ų4066.9 Ų66.928%0.2839%0.389SS..Hα-helixtrans-57.1-37.7174.8-54.40000112.2G208 W209 H215 N216G208-S212 PolarHBondContact O-N 3.02Å; G208-S212 VanDerWaalsContact O-N 3.11Å; G208-S212 PolarHBondContact O-OG 3.38Å; W209-S212 WeakPolarHBondContact O-CB 3.33Å; W209-S212 PolarHBondContact O-N 3.48Å; W209-S212 VanDerWaalsContact O-N 3.1Å; S212-H215 PolarHBondContact O-N 3.44Å; S212-N216 PolarHBondContact O-N 3.21Å; S212-N216 PolarHBondContact O-ND2 3.32Å
213I96.1Very high89.4Confident0 Ų060.4 Ų60.40%035%0.353CS..Hα-helixtrans-61.7-51.1172.9-62.6-54.5000111.7Y165 I169 L183 I186 Y187 M190 W209 N211 H215 N216 L217Y165-I213 HydrophobicContact CD1-CD1 3.5Å; Y165-I213 VanDerWaalsContact CD1-CD1 3.5Å; Y165-I213 HydrophobicContact CE1-CD1 4.11Å; Y165-I213 HydrophobicContact CG-CD1 4.23Å; I169-I213 HydrophobicContact CD1-CD1 3.98Å; I169-I213 HydrophobicContact CD1-CG2 4.16Å; I169-I213 HydrophobicContact CG1-CD1 3.96Å; I169-I213 HydrophobicContact CG1-CG2 4.35Å; L183-I213 HydrophobicContact CD1-CG2 4.32Å; I186-I213 HydrophobicContact CG2-CG2 3.8Å; Y187-I213 HydrophobicContact CD1-CG2 4.4Å; Y187-I213 HydrophobicContact CE1-CB 4.18Å; Y187-I213 HydrophobicContact CE1-CG2 4.09Å; M190-I213 HydrophobicContact CE-CD1 3.76Å; M190-I213 HydrophobicContact CG-CD1 4.44Å; M190-I213 HydrophobicContact SD-CD1 4.29Å; W209-I213 HydrophobicContact CE3-CG1 4.13Å; W209-I213 HydrophobicContact CZ3-CG1 4.33Å; W209-I213 PolarHBondContact O-N 2.67Å; W209-I213 VanDerWaalsContact O-N 3.08Å; N211-I213 PolarHBondContact O-N 3.31Å; I213-H215 VanDerWaalsContact C-N 3.28Å; I213-H215 PolarHBondContact O-N 3.18Å; I213-N216 PolarHBondContact O-N 3.49Å; I213-N216 VanDerWaalsContact O-N 3.17Å; I213-L217 HydrophobicContact CG2-CD1 3.9Å; I213-L217 HydrophobicContact CG2-CG 4.45Å; I213-L217 WeakPolarHBondContact O-CG 3.48Å; I213-L217 PolarHBondContact O-N 3.07Å
214R96.6Very high90.3Very high101 Ų10160.5 Ų60.538%0.38135%0.349SS..Hα-helixtrans-58.3-40.6178.5-68.7-173.4-58.5-94.29.3112.4L183 Y187 K210 N211 S218L183-R214 HydrophobicContact CD1-CG 4.05Å; L183-R214 HydrophobicContact CD2-CG 4Å; Y187-R214 WeakPolarHBondContact OH-CG 3.09Å; Y187-R214 PolarHBondContact OH-NH1 2.91Å; Y187-R214 VanDerWaalsContact OH-NH1 3.17Å; K210-R214 PolarHBondContact O-N 3.4Å; K210-R214 PolarHBondContact O-NH1 3.38Å; N211-R214 PolarHBondContact O-N 2.87Å; N211-R214 VanDerWaalsContact O-N 3.13Å; N211-R214 PolarHBondContact OD1-NH2 3.44Å; R214-S218 PolarHBondContact O-N 3.34Å; R214-S218 PolarHBondContact O-OG 3.08Å
215H96.5Very high91.4Very high101 Ų10160.5 Ų60.547%0.46834%0.338SS..Hα-helixtrans-64.3-45.7175.3175.963000112.1N211 S212 I213 L217 S218 L219N211-H215 PolarHBondContact O-N 3.31Å; S212-H215 PolarHBondContact O-N 3.44Å; I213-H215 VanDerWaalsContact C-N 3.28Å; I213-H215 PolarHBondContact O-N 3.18Å; H215-L217 VanDerWaalsContact C-N 3.31Å; H215-L217 PolarHBondContact O-N 3.16Å; H215-S218 PolarHBondContact O-N 3.21Å; H215-S218 PolarHBondContact O-OG 2.71Å; H215-L219 WeakPolarHBondContact O-CB 3.29Å; H215-L219 PolarHBondContact O-N 2.89Å
216N97.2Very high92.8Very high16 Ų1657.9 Ų57.99%0.08632%0.317CS..Hα-helixtrans-63.7-36.5179.3-86.1-105.6000112.5A166 I169 S212 I213 S218 H220 F223A166-N216 PolarHBondContact N-OD1 3.25Å; I169-N216 HydrophobicContact CD1-CB 3.65Å; S212-N216 PolarHBondContact O-N 3.21Å; S212-N216 PolarHBondContact O-ND2 3.32Å; I213-N216 PolarHBondContact O-N 3.49Å; I213-N216 VanDerWaalsContact O-N 3.17Å; N216-S218 VanDerWaalsContact C-N 3.33Å; N216-S218 PolarHBondContact O-N 3.32Å; N216-H220 PolarHBondContact O-N 3.04Å; N216-F223 WeakPolarHBondContact O-CD2 3.33Å
217L95.9Very high93.7Very high2 Ų262.4 Ų62.41%0.0134%0.338CS..Hα-helixtrans-64.3-33.6176.8-74.5169000113.1I169 L183 I186 I213 H215 F223 W237I169-L217 HydrophobicContact CD1-CD2 4.45Å; I169-L217 HydrophobicContact CD1-CG 4.24Å; I169-L217 HydrophobicContact CG2-CD2 3.6Å; I169-L217 HydrophobicContact CG2-CG 4.47Å; L183-L217 HydrophobicContact CD1-CD1 3.59Å; I186-L217 HydrophobicContact CD1-CD1 4.1Å; I186-L217 HydrophobicContact CD1-CD2 4.14Å; I213-L217 HydrophobicContact CG2-CD1 3.9Å; I213-L217 HydrophobicContact CG2-CG 4.45Å; I213-L217 WeakPolarHBondContact O-CG 3.48Å; I213-L217 PolarHBondContact O-N 3.07Å; H215-L217 VanDerWaalsContact C-N 3.31Å; H215-L217 PolarHBondContact O-N 3.16Å; L217-F223 HydrophobicContact CD2-CB 4.2Å; L217-F223 HydrophobicContact CD2-CD1 4.33Å; L217-F223 HydrophobicContact CD2-CD2 4.26Å; L217-F223 HydrophobicContact CD2-CG 4Å; L217-W237 HydrophobicContact CB-CD2 4.2Å; L217-W237 HydrophobicContact CB-CE3 4.03Å; L217-W237 HydrophobicContact CB-CH2 3.81Å; L217-W237 HydrophobicContact CB-CZ2 4Å; L217-W237 HydrophobicContact CB-CZ3 3.83Å; L217-W237 HydrophobicContact CD1-CD2 4.11Å; L217-W237 HydrophobicContact CD1-CG 4.24Å; L217-W237 HydrophobicContact CD1-CZ2 4.4Å; L217-W237 HydrophobicContact CD2-CB 4.18Å; L217-W237 HydrophobicContact CD2-CD2 3.81Å; L217-W237 HydrophobicContact CD2-CE3 3.84Å; L217-W237 HydrophobicContact CD2-CG 3.96Å; L217-W237 HydrophobicContact CD2-CZ3 4.47Å; L217-W237 HydrophobicContact CG-CD2 4.27Å; L217-W237 HydrophobicContact CG-CE3 4.41Å; L217-W237 WeakPolarHBondContact O-CZ3 3.26Å
218S94.4Very high94.2Very high90 Ų9060.4 Ų60.463%0.62932%0.319SS*.Hα-helixtrans-91.6-27.6176.355.10000114R214 H215 N216R214-S218 PolarHBondContact O-N 3.34Å; R214-S218 PolarHBondContact O-OG 3.08Å; H215-S218 PolarHBondContact O-N 3.21Å; H215-S218 PolarHBondContact O-OG 2.71Å; N216-S218 VanDerWaalsContact C-N 3.33Å; N216-S218 PolarHBondContact O-N 3.32Å
219L94.9Very high94Very high100 Ų10066.2 Ų66.252%0.52433%0.333SS..Hα-helixtrans-70.4-41-179.8-177.571.2000112.7H215H215-L219 WeakPolarHBondContact O-CB 3.29Å; H215-L219 PolarHBondContact O-N 2.89Å
220H93.4Very high93.4Very high69 Ų6966.9 Ų66.932%0.31935%0.346SS..  trans-102.9116.8-172.4-64.1-61.4000112.5N216 K222 F223N216-H220 PolarHBondContact O-N 3.04Å; H220-K222 HydrophobicContact CB-CD 4.47Å; H220-K222 HydrophobicContact CB-CG 4.02Å; H220-K222 PolarHBondContact O-N 3.08Å; H220-F223 HydrophobicContact CB-CD2 3.95Å; H220-F223 HydrophobicContact CB-CE2 4.03Å; H220-F223 PolarHBondContact O-N 3.1Å
221S92.5Very high92.2Very high106 Ų10672.2 Ų72.274%0.74138%0.382SS*.THydrogen-bonded Turntrans-60.6-5174.458.60000115.6F223 N240S221-F223 PolarHBondContact O-N 3.33Å; S221-N240 PolarHBondContact O-ND2 3.43Å
222K93.8Very high91.2Very high61 Ų6172.1 Ų72.127%0.26540%0.401SS..THydrogen-bonded Turntrans-69.2-20.1167.981.6-178.4-58.6-167.60112.4T170 H220 L239 N240T170-K222 WeakPolarHBondContact OG1-CE 3.47Å; T170-K222 PolarHBondContact OG1-NZ 3.28Å; H220-K222 HydrophobicContact CB-CD 4.47Å; H220-K222 HydrophobicContact CB-CG 4.02Å; H220-K222 PolarHBondContact O-N 3.08Å; K222-L239 WeakPolarHBondContact O-CA 3.31Å; K222-N240 PolarHBondContact O-N 3.49Å
223F96.1Very high90.6Very high10 Ų1076.6 Ų76.64%0.04442%0.415CS..EExtended strand (participates in β ladder)trans-103130.6174.3-52.6-60.6000109.4A166 I169 I173 N216 L217 H220 S221 W237 M238 L239A166-F223 HydrophobicContact CB-CE2 4.36Å; A166-F223 HydrophobicContact CB-CZ 4.42Å; A166-F223 WeakPolarHBondContact O-CZ 3.21Å; I169-F223 HydrophobicContact CB-CE1 4.03Å; I169-F223 HydrophobicContact CB-CZ 3.78Å; I169-F223 HydrophobicContact CG2-CD1 3.95Å; I169-F223 HydrophobicContact CG2-CE1 3.4Å; I169-F223 VanDerWaalsContact CG2-CE1 3.4Å; I169-F223 HydrophobicContact CG2-CE2 4.26Å; I169-F223 HydrophobicContact CG2-CZ 3.58Å; I173-F223 HydrophobicContact CD1-CD1 3.96Å; I173-F223 HydrophobicContact CD1-CE1 4.23Å; N216-F223 WeakPolarHBondContact O-CD2 3.33Å; L217-F223 HydrophobicContact CD2-CB 4.2Å; L217-F223 HydrophobicContact CD2-CD1 4.33Å; L217-F223 HydrophobicContact CD2-CD2 4.26Å; L217-F223 HydrophobicContact CD2-CG 4Å; H220-F223 HydrophobicContact CB-CD2 3.95Å; H220-F223 HydrophobicContact CB-CE2 4.03Å; H220-F223 PolarHBondContact O-N 3.1Å; S221-F223 PolarHBondContact O-N 3.33Å; F223-W237 HydrophobicContact CB-CE3 4.2Å; F223-W237 HydrophobicContact CB-CZ3 4.47Å; F223-M238 WeakPolarHBondContact CA-O 3.43Å; F223-L239 HydrophobicContact CD1-CD2 3.91Å; F223-L239 HydrophobicContact CE1-CD2 3.7Å
224I94.7Very high90.3Very high56 Ų5679.5 Ų79.529%0.28744%0.436SS..EExtended strand (participates in β ladder)trans-114.4133.4174.358.5175.5000109.1V226 W237 M238 N240I224-V226 HydrophobicContact CD1-CG2 4.28Å; I224-V226 HydrophobicContact CG1-CG2 4.35Å; I224-W237 WeakPolarHBondContact O-CA 3.4Å; I224-M238 HydrophobicContact CD1-CB 4.27Å; I224-M238 HydrophobicContact CD1-CE 4.43Å; I224-M238 HydrophobicContact CG1-CB 3.86Å; I224-M238 PolarHBondContact N-O 3.11Å; I224-M238 PolarHBondContact O-N 3.26Å; I224-N240 HydrophobicContact CG2-CB 4.06Å
225R95.4Very high90.3Very high153 Ų15375.7 Ų75.758%0.57742%0.424SS*.EExtended strand (participates in β ladder)trans-88.5119171.4-171.1-179.96989.30.1108.4S235 W236 W237R225-S235 PolarHBondContact NH1-OG 3.28Å; R225-W236 CarbonylContact C-O 3.48Å; R225-W236 WeakPolarHBondContact CA-O 3.42Å; R225-W237 HydrophobicContact CB-CD2 4.43Å; R225-W237 HydrophobicContact CB-CE3 4.03Å; R225-W237 HydrophobicContact CB-CH2 3.91Å; R225-W237 HydrophobicContact CB-CZ2 4.28Å; R225-W237 HydrophobicContact CB-CZ3 3.77Å; R225-W237 HydrophobicContact CG-CH2 4.32Å; R225-W237 HydrophobicContact CG-CZ2 4.2Å
226V93.9Very high90.2Very high51 Ų5172.3 Ų72.331%0.30941%0.408SS..EExtended strand (participates in β ladder)trans-113133176.1174.60000108.9I224 S235 W236 M238I224-V226 HydrophobicContact CD1-CG2 4.28Å; I224-V226 HydrophobicContact CG1-CG2 4.35Å; V226-S235 WeakPolarHBondContact O-CB 3.29Å; V226-W236 PolarHBondContact N-O 3.21Å; V226-W236 PolarHBondContact O-N 2.96Å; V226-M238 HydrophobicContact CB-CE 3.91Å; V226-M238 HydrophobicContact CG1-CE 4.16Å; V226-M238 HydrophobicContact CG2-CE 3.45Å; V226-M238 VanDerWaalsContact CG2-CE 3.45Å
227Q92.3Very high90.2Very high99 Ų9973.3 Ų73.346%0.46341%0.41SS..  trans-64.5146-178.8-172.846.643.100109.8S235Q227-S235 PolarHBondContact OE1-OG 3.33Å
228N88.8Confident90.2Very high17 Ų1775.7 Ų75.79%0.09142%0.422CS..  trans-86.7145.7176.3-155.2-19.7000109.3G230 K233 S234 W236N228-G230 PolarHBondContact O-N 3.3Å; N228-G230 VanDerWaalsContact O-N 3.12Å; N228-K233 HydrophobicContact CB-CB 4.37Å; N228-S234 WeakPolarHBondContact CB-O 3.47Å; N228-S234 PolarHBondContact ND2-O 3.27Å; N228-W236 PolarHBondContact ND2-NE1 3.45Å; N228-W236 PolarHBondContact OD1-NE1 2.95Å
229E85.9Confident90.2Very high172 Ų17273.3 Ų73.380%0.80440%0.402SS*.SBendtrans-60-24.2-175.9-50.5-54125.800113.1
230G79.2Confident90Very high32 Ų3270.7 Ų70.733%0.3339%0.389SS..SBendtrans-94.8122175.800000113N228 G232 K233N228-G230 PolarHBondContact O-N 3.3Å; N228-G230 VanDerWaalsContact O-N 3.12Å; G230-G232 PolarHBondContact O-N 3.21Å; G230-K233 WeakPolarHBondContact O-CB 3.48Å; G230-K233 PolarHBondContact O-N 3.48Å
231T68.1Low89.6Confident154 Ų15471.2 Ų71.295%0.94540%0.398SS*.THydrogen-bonded Turntrans-51.7124.7170.3-51.30000110.8K233T231-K233 PolarHBondContact O-N 3.09Å
232G74.1Confident88.5Confident84 Ų8471.8 Ų71.887%0.86639%0.389SS*.THydrogen-bonded Turntrans86.6-11.2-17900000115.9G230G230-G232 PolarHBondContact O-N 3.21Å
233K82.1Confident87.1Confident134 Ų13471 Ų7158%0.58340%0.398SS*.SBendtrans-81145174.6-158.7170.2-178.6175.70110.8N228 G230 T231 S235N228-K233 HydrophobicContact CB-CB 4.37Å; G230-K233 WeakPolarHBondContact O-CB 3.48Å; G230-K233 PolarHBondContact O-N 3.48Å; T231-K233 PolarHBondContact O-N 3.09Å; K233-S235 PolarHBondContact O-N 3.44Å
234S91.3Very high85.4Confident61 Ų6173.9 Ų73.943%0.42743%0.431SS..PPolyproline II helixtrans-57.3137.4-177.954.60000112.2N228N228-S234 WeakPolarHBondContact CB-O 3.47Å; N228-S234 PolarHBondContact ND2-O 3.27Å
235S94.8Very high83.6Confident21 Ų2180.2 Ų80.215%0.14746%0.456CS..PPolyproline II helixtrans-60.7149.3177.9-52.60000112R225 V226 Q227 K233R225-S235 PolarHBondContact NH1-OG 3.28Å; V226-S235 WeakPolarHBondContact O-CB 3.29Å; Q227-S235 PolarHBondContact OE1-OG 3.33Å; K233-S235 PolarHBondContact O-N 3.44Å
236W95.5Very high81.5Confident31 Ų3175.5 Ų75.512%0.11745%0.447CS..EExtended strand (participates in β ladder)trans-76.7142.7169-63.2108000110.7R180 T182 R225 V226 N228R180-W236 HydrophobicContact CB-CB 4.44Å; R180-W236 HydrophobicContact CB-CE3 4.15Å; R180-W236 HydrophobicContact CG-CD2 4.1Å; R180-W236 HydrophobicContact CG-CE3 3.75Å; R180-W236 HydrophobicContact CG-CZ3 4.17Å; T182-W236 HydrophobicContact CG2-CD2 4.27Å; T182-W236 HydrophobicContact CG2-CE3 3.78Å; T182-W236 HydrophobicContact CG2-CH2 4.07Å; T182-W236 HydrophobicContact CG2-CZ3 3.67Å; R225-W236 CarbonylContact C-O 3.48Å; R225-W236 WeakPolarHBondContact CA-O 3.42Å; V226-W236 PolarHBondContact N-O 3.21Å; V226-W236 PolarHBondContact O-N 2.96Å; N228-W236 PolarHBondContact ND2-NE1 3.45Å; N228-W236 PolarHBondContact OD1-NE1 2.95Å
237W96.7Very high79.4Confident36 Ų3676.5 Ų76.514%0.13647%0.467CS..EExtended strand (participates in β ladder)trans-108.5125.2164.8-6895.9000108.4I173 R180 L181 I186 L217 F223 I224 R225I173-W237 HydrophobicContact CD1-CB 4.4Å; R180-W237 WeakPolarHBondContact CA-O 3.36Å; L181-W237 PolarHBondContact N-O 2.93Å; L181-W237 WeakPolarHBondContact O-CB 3.49Å; L181-W237 PolarHBondContact O-N 3.17Å; I186-W237 HydrophobicContact CD1-CB 4.07Å; I186-W237 HydrophobicContact CD1-CG 4.36Å; L217-W237 HydrophobicContact CB-CD2 4.2Å; L217-W237 HydrophobicContact CB-CE3 4.03Å; L217-W237 HydrophobicContact CB-CH2 3.81Å; L217-W237 HydrophobicContact CB-CZ2 4Å; L217-W237 HydrophobicContact CB-CZ3 3.83Å; L217-W237 HydrophobicContact CD1-CD2 4.11Å; L217-W237 HydrophobicContact CD1-CG 4.24Å; L217-W237 HydrophobicContact CD1-CZ2 4.4Å; L217-W237 HydrophobicContact CD2-CB 4.18Å; L217-W237 HydrophobicContact CD2-CD2 3.81Å; L217-W237 HydrophobicContact CD2-CE3 3.84Å; L217-W237 HydrophobicContact CD2-CG 3.96Å; L217-W237 HydrophobicContact CD2-CZ3 4.47Å; L217-W237 HydrophobicContact CG-CD2 4.27Å; L217-W237 HydrophobicContact CG-CE3 4.41Å; L217-W237 WeakPolarHBondContact O-CZ3 3.26Å; F223-W237 HydrophobicContact CB-CE3 4.2Å; F223-W237 HydrophobicContact CB-CZ3 4.47Å; I224-W237 WeakPolarHBondContact O-CA 3.4Å; R225-W237 HydrophobicContact CB-CD2 4.43Å; R225-W237 HydrophobicContact CB-CE3 4.03Å; R225-W237 HydrophobicContact CB-CH2 3.91Å; R225-W237 HydrophobicContact CB-CZ2 4.28Å; R225-W237 HydrophobicContact CB-CZ3 3.77Å; R225-W237 HydrophobicContact CG-CH2 4.32Å; R225-W237 HydrophobicContact CG-CZ2 4.2Å
238M95.4Very high77.6Confident52 Ų5281.3 Ų81.326%0.25649%0.487SS..EExtended strand (participates in β ladder)trans-121.7157.2177.3-58.1-158.4-7800110.2R180 F223 I224 V226R180-M238 HydrophobicContact CB-CG 3.43Å; R180-M238 VanDerWaalsContact CB-CG 3.43Å; R180-M238 HydrophobicContact CB-SD 3.68Å; F223-M238 WeakPolarHBondContact CA-O 3.43Å; I224-M238 HydrophobicContact CD1-CB 4.27Å; I224-M238 HydrophobicContact CD1-CE 4.43Å; I224-M238 HydrophobicContact CG1-CB 3.86Å; I224-M238 PolarHBondContact N-O 3.11Å; I224-M238 PolarHBondContact O-N 3.26Å; V226-M238 HydrophobicContact CB-CE 3.91Å; V226-M238 HydrophobicContact CG1-CE 4.16Å; V226-M238 HydrophobicContact CG2-CE 3.45Å; V226-M238 VanDerWaalsContact CG2-CE 3.45Å
239L95.2Very high75.6Confident40 Ų4085.2 Ų85.221%0.20952%0.515CS..EExtended strand (participates in β ladder)trans-75.1135163.8-74.7163.4000108.7T170 I173 E174 K222 F223 P241T170-L239 HydrophobicContact CG2-CD1 3.86Å; T170-L239 HydrophobicContact CG2-CD2 3.95Å; I173-L239 HydrophobicContact CB-CD1 4.14Å; I173-L239 HydrophobicContact CB-CG 4.18Å; I173-L239 HydrophobicContact CD1-CG 4.34Å; I173-L239 HydrophobicContact CG2-CB 4.44Å; I173-L239 HydrophobicContact CG2-CD1 4.02Å; I173-L239 HydrophobicContact CG2-CG 3.92Å; E174-L239 HydrophobicContact CG-CD1 3.63Å; K222-L239 WeakPolarHBondContact O-CA 3.31Å; F223-L239 HydrophobicContact CD1-CD2 3.91Å; F223-L239 HydrophobicContact CE1-CD2 3.7Å; L239-P241 WeakPolarHBondContact O-CD 3.26Å
240N90.9Very high74Confident46 Ų4682.1 Ų82.125%0.24651%0.51CS..  trans-62.2117.6172.6-173.7-11000108.7S221 K222 I224 E242 G243S221-N240 PolarHBondContact O-ND2 3.43Å; K222-N240 PolarHBondContact O-N 3.49Å; I224-N240 HydrophobicContact CG2-CB 4.06Å; N240-E242 PolarHBondContact O-N 2.8Å; N240-E242 WeakPolarHBondContact OD1-CB 3.42Å; N240-E242 PolarHBondContact OD1-N 3.12Å; N240-E242 VanDerWaalsContact OD1-N 3.12Å; N240-G243 WeakPolarHBondContact O-CA 3.41Å; N240-G243 PolarHBondContact O-N 2.97Å
241P84.6Confident72.9Confident80 Ų8092.1 Ų92.152%0.51954%0.538SS..G310 helixtrans-60.1-30.9-18024-33.4000112.1L239 G243L239-P241 WeakPolarHBondContact O-CD 3.26Å; P241-G243 VanDerWaalsContact C-N 3.32Å
242E70.1Confident72.4Confident117 Ų11795.4 Ų95.455%0.54753%0.533SS..G310 helixtrans-79.8-11.1175.2-56.4-51.5124.400113.6N240 S246N240-E242 PolarHBondContact O-N 2.8Å; N240-E242 WeakPolarHBondContact OD1-CB 3.42Å; N240-E242 PolarHBondContact OD1-N 3.12Å; N240-E242 VanDerWaalsContact OD1-N 3.12Å; E242-S246 WeakPolarHBondContact CA-OG 3.33Å; E242-S246 PolarHBondContact O-OG 3.39Å; E242-S246 VanDerWaalsContact O-OG 3.07Å; E242-S246 PolarHBondContact OE2-OG 2.83Å
243G63Low71.5Confident45 Ų45102.8 Ų102.846%0.46453%0.534SS..G310 helixtrans-93.5-7.5-177.500000114.7N240 P241N240-G243 WeakPolarHBondContact O-CA 3.41Å; N240-G243 PolarHBondContact O-N 2.97Å; P241-G243 VanDerWaalsContact C-N 3.32Å
244G61.1Low70.4Confident70 Ų70101.1 Ų101.172%0.72255%0.546SS*.SBendtrans-111.7-14-170.700000116.5
245K58.2Low68.3Low190 Ų190102.3 Ų102.383%0.82656%0.56SS**SBendtrans-154.9-20.7-171.749.9-172.5169.4-174.70116.8G247K245-G247 PolarHBondContact O-N 3.4Å
246S49.6Very low66.1Low54 Ų54105.6 Ų105.638%0.37858%0.583SS.*SBendtrans-83.3102.5169.224.90000109.9E242 K248E242-S246 WeakPolarHBondContact CA-OG 3.33Å; E242-S246 PolarHBondContact O-OG 3.39Å; E242-S246 VanDerWaalsContact O-OG 3.07Å; E242-S246 PolarHBondContact OE2-OG 2.83Å; S246-K248 PolarHBondContact O-N 2.74Å
247G51.1Low64.2Low71 Ų71111.9 Ų111.973%0.73262%0.615SS**SBendtrans-60.2135.8176.700000111.8K245K245-G247 PolarHBondContact O-N 3.4Å
248K53.7Low61.9Low201 Ų201116.7 Ų116.787%0.87464%0.644SS**  trans56.869.6173.2-53.2169.9-177.2173.90113.9S246 P250S246-K248 PolarHBondContact O-N 2.74Å; K248-P250 WeakPolarHBondContact O-CD 3.42Å; K248-P250 VanDerWaalsContact O-N 3.12Å
249S46.7Very low59.6Low98 Ų98121.3 Ų121.369%0.68567%0.669SS**  trans-55.4117.6164.2-171.70000109.7R251S249-R251 PolarHBondContact O-N 3.19Å
250P53.3Low57.3Low108 Ų108125.2 Ų125.270%0.70169%0.69SS**  trans-65.4129.6178.2-20.834.2000109.6K248 R252K248-P250 WeakPolarHBondContact O-CD 3.42Å; K248-P250 VanDerWaalsContact O-N 3.12Å; P250-R252 PolarHBondContact O-N 3.02Å
251R55.2Low54.8Low242 Ų242127.8 Ų127.891%0.91371%0.712SS**  trans-54.4106.1172.2176.5174.9-75167.9-4.3108.2S249 R253S249-R251 PolarHBondContact O-N 3.19Å; R251-R253 PolarHBondContact O-N 3.23Å
252R57.6Low53.2Low223 Ų223132.3 Ų132.384%0.84272%0.723SS**PPolyproline II helixtrans-57.8126.6-173.6-58.5-179.284.4-153.36.7109.3P250P250-R252 PolarHBondContact O-N 3.02Å
253R55.8Low52Low238 Ų238135.6 Ų135.690%0.89874%0.736SS**PPolyproline II helixtrans-64.2152.7154.9-61.8-171.5-171.4106.6-1.9107.7R251R251-R253 PolarHBondContact O-N 3.23Å
254A57.8Low51.3Low100 Ų100138.7 Ų138.783%0.82676%0.757SS**PPolyproline II helixtrans-55.1143.5178.700000110.9S256A254-S256 PolarHBondContact O-N 3.42Å
255A47.5Very low50.3Low86 Ų86144.2 Ų144.271%0.71176%0.762SS**PPolyproline II helixtrans-70126.4174.500000109.4
256S50.2Low49.8Very low90 Ų90140.9 Ų140.963%0.62976%0.762SS**PPolyproline II helixtrans-61145.1161.2173.40000109.3A254 D258A254-S256 PolarHBondContact O-N 3.42Å; S256-D258 PolarHBondContact OG-OD1 2.87Å; S256-D258 VanDerWaalsContact OG-OD1 3.09Å
257M54.4Low49.3Very low162 Ų162149.1 Ų149.180%0.79879%0.785SS**  trans-89.2101172.4-84.8172.846.700110.1N259M257-N259 PolarHBondContact O-N 3.43Å
258D47.7Very low48.6Very low138 Ų138151.3 Ų151.374%0.73879%0.789SS**  trans-89.980.3-180-37.7-47.4000110.4S256 N260S256-D258 PolarHBondContact OG-OD1 2.87Å; S256-D258 VanDerWaalsContact OG-OD1 3.09Å; D258-N260 PolarHBondContact O-N 3.05Å
259N47.4Very low48Very low148 Ų148153.1 Ų153.179%0.79179%0.791SS**  trans-78.587.5178.8-117.3-39.7000111.3M257M257-N259 PolarHBondContact O-N 3.43Å
260N47.4Very low47.7Very low123 Ų123153.2 Ų153.266%0.65880%0.797SS**  trans-111.782.2173.7-174.839.5000112.1D258 K262D258-N260 PolarHBondContact O-N 3.05Å; N260-K262 WeakPolarHBondContact OD1-CE 3.35Å
261S39.7Very low47Very low99 Ų99152.5 Ų152.569%0.69280%0.8SS**  trans-126.586.4166.9-174.30000110F263S261-F263 PolarHBondContact O-N 3.06Å
262K50.6Low46.4Very low175 Ų175150.7 Ų150.776%0.76180%0.799SS**  trans-88.379179.6-57.1-179.1-168.6-177.10110.8N260N260-K262 WeakPolarHBondContact OD1-CE 3.35Å
263F44.8Very low45.4Very low186 Ų186149.9 Ų149.982%0.81680%0.802SS**  trans-125.583.6163.1-72.7-66.4000111.4S261 K265S261-F263 PolarHBondContact O-N 3.06Å; F263-K265 VanDerWaalsContact C-N 3.34Å; F263-K265 PolarHBondContact O-N 3.35Å
264A48.3Very low44.5Very low110 Ų110147.3 Ų147.391%0.90980%0.797SS**  trans-62.297159.600000108.9
265K39.8Very low43.4Very low187 Ų187147.2 Ų147.281%0.81380%0.796SS**  trans-11477.3168.7-160.1104.6-177.4-174.70108.7F263 R267F263-K265 VanDerWaalsContact C-N 3.34Å; F263-K265 PolarHBondContact O-N 3.35Å; K265-R267 PolarHBondContact O-N 2.94Å
266S46.5Very low42.6Very low120 Ų120148.3 Ų148.384%0.83980%0.798SS**  trans-59124.7167580000108.6
267R39.3Very low41.8Very low226 Ų226151.2 Ų151.285%0.85381%0.806SS**  trans-134.192.9162.1-139.4174.5-167170.23.4108.2K265 R269K265-R267 PolarHBondContact O-N 2.94Å; R267-R269 PolarHBondContact O-N 2.92Å
268S36.7Very low40.8Very low118 Ų118151.8 Ų151.883%0.82581%0.807SS**  trans-50.2125.9176.5-170.10000110
269R41.1Very low39.8Very low239 Ų239151.3 Ų151.390%0.90282%0.815SS**  trans-94.1100.5166.1-71.7-169-178.6-160.71.9107.5R267 A271R267-R269 PolarHBondContact O-N 2.92Å; R269-A271 PolarHBondContact O-N 2.78Å
270A41.1Very low39Very low99 Ų99147.9 Ų147.982%0.81881%0.814SS**  trans-63.899.8168.400000109.1K272A270-K272 PolarHBondContact O-N 3.24Å
271A39Very low38.3Very low94 Ų94149.8 Ų149.878%0.77782%0.819SS**  trans-74.4115.5175.300000109.7R269 K273R269-A271 PolarHBondContact O-N 2.78Å; A271-K273 PolarHBondContact O-N 3.15Å
272K41.4Very low37.9Very low203 Ų203153.2 Ų153.288%0.88382%0.824SS**  trans-57.199.9173.7178.5176.3176175.90110.2A270 K274A270-K272 PolarHBondContact O-N 3.24Å; K272-K274 PolarHBondContact O-N 3.46Å; K272-K274 VanDerWaalsContact O-N 3.13Å
273K36.8Very low37Very low206 Ų206148.5 Ų148.590%0.89683%0.825SS**  trans-69.2106.4175.1-155.1-177.9-170.9-174.60108.6A271A271-K273 PolarHBondContact O-N 3.15Å
274K37Very low36.5Very low185 Ų185144.9 Ų144.980%0.80483%0.829SS**  trans-76.7131.6167.2102.3-178.7-172.6-1750107.9K272K272-K274 PolarHBondContact O-N 3.46Å; K272-K274 VanDerWaalsContact O-N 3.13Å
275A34.3Very low35.8Very low98 Ų98143.1 Ų143.181%0.8182%0.822SS**  trans-71.9145.8174.500000110.7
276S31.2Very low35.4Very low108 Ų108141.9 Ų141.976%0.75582%0.824SS**  trans-165.4106.1153.7-175.40000108
277L33.6Very low34.7Very low152 Ų152141 Ų14180%0.79682%0.818SS**  trans-166.4114143.1-97.6-177.8000109
278Q32.6Very low35.3Very low173 Ų173136.4 Ų136.481%0.80882%0.817SS**  trans70.9145149.4-67.6178-600123.6
279S26.8Very low35Very low129 Ų129134.4 Ų134.490%0.90282%0.815SS**  trans85.4138.5161.174.20000119.2
280G31.9Very low34.6Very low75 Ų75127.3 Ų127.377%0.77380%0.802SS**  trans9580.3-170.500000111.9
281Q31.2Very low34.3Very low163 Ų163130.2 Ų130.276%0.76280%0.799SS**  74.7114.864.3-168168.8-8.300113.7
282E30.8Very low33.9Very low172 Ų172133.2 Ų133.280%0.80480%0.795SS**  trans66.7150.6161.7-73166.2-137.700120.3
283G32.1Very low33.7Very low75 Ų75129.2 Ų129.277%0.77379%0.792SS**  trans119.676.2161.800000116.9
284A34.4Very low33.3Very low111 Ų111129.3 Ų129.392%0.91779%0.793SS**  trans15.1145.1144.200000122
285G33.2Very low33.4Very low72 Ų72131.9 Ų131.974%0.74280%0.798SS**  121.396.5127.900000118
286D32.5Very low34.1Very low162 Ų162133 Ų13387%0.86680%0.796SS**  trans65.2156140.3-112.7-83.2000123.5
287S32.1Very low33.9Very low102 Ų102132.4 Ų132.471%0.71380%0.798SS**  trans-116.1-150.5178.5-68.70000108.4
288P52.5Low33.8Very low128 Ų128130.8 Ų130.883%0.83180%0.8SS**  -120.7177.7-77.433.4-19.5000114
289G28.3Very low34.4Very low76 Ų76128.9 Ų128.978%0.78480%0.802SS**  trans103.3164.8165.300000115
290S33.3Very low34.4Very low90 Ų90126.5 Ų126.563%0.62980%0.798SS**  cis-161.5142.9-3.454.70000112.2
291Q35.2Very low34.4Very low160 Ų160128.2 Ų128.275%0.74880%0.798SS**  trans62161.1141.9-62.9174.4-39.200124.3
292F30.7Very low34.3Very low157 Ų157128.7 Ų128.769%0.68980%0.8SS**  trans61.7107.8156.243.4-114000123.7
293S36.7Very low34.3Very low119 Ų119124.8 Ų124.883%0.83279%0.792SS**  38.5129.1117.1-50.20000121.6
294K29.5Very low34.1Very low208 Ų208128.6 Ų128.690%0.90479%0.794SS**  -179.2132.1111-153.9151.7177.1177.20113
295W39.7Very low34.1Very low240 Ų240130 Ų13091%0.90979%0.786SS**  trans-74.5161165.4-66.984000110.9
296P47.4Very low34Very low120 Ų120133.4 Ų133.478%0.77979%0.788SS**  -157.4177.888.741.2-21.3000118
297A26.9Very low33.9Very low97 Ų97135.6 Ų135.680%0.80279%0.79SS**  trans87.1100.3147.800000121.3
298S31.7Very low34Very low118 Ų118136.3 Ų136.383%0.82579%0.786SS**  trans-69.8-164155.5-250000111.6
299P45.4Very low32.9Very low132 Ų132136.4 Ų136.486%0.85778%0.779SS**  cis-139.2-176.19.443-23.6000116.5
300G27.8Very low33.1Very low79 Ų79144.6 Ų144.681%0.81479%0.786SS**  trans160.666.7163.800000118.8
301S30.9Very low33.3Very low111 Ų111145.6 Ų145.678%0.77679%0.793SS**  trans-46.2140.4177.5-161.80000118.1
302H29.9Very low33.3Very low174 Ų174143.8 Ų143.881%0.80679%0.793SS**  -167.4123.1116-124.1-84.7000116.2
303S29.2Very low33.4Very low90 Ų90145.5 Ų145.563%0.62980%0.801SS**  trans19.8116.2152.1640000122.4
304N28.9Very low33.3Very low154 Ų154151 Ų15182%0.82480%0.804SS**  -158.8156.2102.3-155.3-101.7000109.7
305D33.4Very low33.7Very low140 Ų140146.9 Ų146.975%0.74980%0.798SS**  trans-76.2157.6-159.9-57.3-107.1000116.1
306D32.9Very low33.7Very low145 Ų145147.2 Ų147.278%0.77580%0.799SS**  trans-55.9138179.3-69.181.8000115.6
307F28.6Very low33.2Very low208 Ų208147.9 Ų147.991%0.91280%0.801SS**  -149.691.4127-157.1-94.1000111.4
308D35.4Very low33.7Very low117 Ų117148.1 Ų148.163%0.62680%0.797SS**  trans-77.2129.1-175.3-132.1-48.8000113
309N30Very low33.8Very low129 Ų129147.5 Ų147.569%0.6979%0.792SS**  trans33.6103.2142.5-68.4-25.5000120.9
310W32Very low33.4Very low248 Ų248148.9 Ų148.994%0.93979%0.793SS**  -143.180.4123.3-154.6-83.2000112.8
311S38Very low33.6Very low111 Ų111150 Ų15078%0.77679%0.794SS**  trans-153.582.2171.6-81.70000112.7
312T34Very low33.8Very low122 Ų122150.4 Ų150.475%0.74880%0.797SS**  trans-162.5109.2148.3-86.30000111.7
313F32.7Very low34.1Very low194 Ų194149.2 Ų149.285%0.85180%0.802SS**  trans44.8111.7146.6-66.6-94.4000121.3
314R35.4Very low34.6Very low235 Ų235153 Ų15389%0.88781%0.814SS**  trans-119.7144.1130.8-75.9-174.1178.9-100.20.6109
315P38.4Very low35Very low120 Ų120151.2 Ų151.278%0.77981%0.813SS**PPolyproline II helixtrans-73142.9-17430.4-35.1000111.3
316R39.1Very low35Very low247 Ų247147.6 Ų147.693%0.93281%0.809SS**PPolyproline II helixtrans-102.6132.3165.6-67.5-170.480.4113.9-1.5109.6
317T37.4Very low35Very low134 Ų134152.5 Ų152.582%0.82282%0.817SS**PPolyproline II helixtrans-81.9173.2-17553.10000112.3
318S36.5Very low35.3Very low102 Ų102151.1 Ų151.171%0.71382%0.818SS**PPolyproline II helixtrans-63.6138.8-175.748.80000116.3
319S33.8Very low35.4Very low105 Ų105150.4 Ų150.473%0.73482%0.822SS**  68.3152.4129-54.70000123.1
320N36.3Very low35.7Very low162 Ų162150.3 Ų150.387%0.86683%0.829SS**  trans73.6104.3157.4-68.8-5.8000120.6
321A32.4Very low35.8Very low101 Ų101146.2 Ų146.284%0.83582%0.823SS**  trans-15789.413000000111.1
322S34.8Very low35.4Very low120 Ų120148.8 Ų148.884%0.83983%0.825SS**  trans-135.7103.6158-76.80000107.6
323T36.5Very low35.3Very low150 Ų150149 Ų14992%0.9283%0.826SS**  trans-107.996.6175.536.90000110
324I41Very low35.4Very low169 Ų169148.9 Ų148.987%0.86783%0.828SS**  trans-98.5114159.9-177.8165.3000108.3
325S35.8Very low35.4Very low117 Ų117145.5 Ų145.582%0.81882%0.823SS**  trans-173.1134.6160.6-160.90000105.6
326G33.8Very low35.2Very low64 Ų64145.8 Ų145.866%0.6682%0.818SS**  cis114.994.830.700000106.9
327R33.3Very low35Very low247 Ų247140.4 Ų140.493%0.93281%0.807SS**  trans-133.899.6172.8-78.2-168.7173.8-93.4-0.6109.1
328L34.8Very low35.1Very low179 Ų179141.5 Ų141.594%0.93781%0.807SS**PPolyproline II helixtrans-93.6162157-72.2171.6000109
329S38.1Very low34.9Very low103 Ų103140.3 Ų140.372%0.7281%0.811SS**PPolyproline II helixtrans-71.7159.5-166.9-48.60000114.7
330P36.5Very low34.9Very low127 Ų127144.8 Ų144.883%0.82582%0.821SS**PPolyproline II helixtrans-75.6136.7157.83.414.6000110.1
331I32.8Very low34.7Very low161 Ų161140.4 Ų140.483%0.82681%0.814SS**  trans-121.1147.2163.7-72.7178.7000107.7
332M29.6Very low34.7Very low166 Ų166142.7 Ų142.782%0.81881%0.812SS**  trans-77.3162.1-171.5-63.2-91.564.900113.2
333T33.3Very low34.8Very low125 Ų125142 Ų14277%0.76780%0.803SS**  trans-60.3131.2169.244.40000112.6
334E34.4Very low34.8Very low192 Ų192143.5 Ų143.590%0.89780%0.799SS**  trans-125.5151.6148.3-88-78.9121.500106.8
335Q34.1Very low34.2Very low164 Ų164141.2 Ų141.277%0.76680%0.797SS**  trans-137.9160.6-162.3158.5176.6-10.200109.7
336D34.6Very low34.3Very low126 Ų126143.9 Ų143.967%0.67480%0.799SS**  trans85.6113.2166.1-93-127.8000119.4
337D35Very low34.1Very low134 Ų134147.8 Ų147.872%0.71781%0.81SS**  97134.4118.7-142.8-126.3000123.7
338L39.3Very low34Very low157 Ų157146.3 Ų146.382%0.82281%0.806SS**  trans-6.8145.1168.5-64.4163.3000122.1
339G33.1Very low34.9Very low77 Ų77142.8 Ų142.879%0.79479%0.794SS**  trans157.698.414800000119.1
340E32.6Very low35.6Very low200 Ų200142.9 Ų142.994%0.93579%0.792SS**  trans-13.5149.1148.4-152.180.1179.100119.5
341G32.7Very low35.1Very low70 Ų70142.2 Ų142.272%0.72279%0.79SS**  trans127.285.714000000120.2
342D33.4Very low35Very low149 Ų149138.9 Ų138.980%0.79779%0.787SS**  trans19.3160.8136.3-135-18.2000125.1
343V35.8Very low35.1Very low106 Ų106135.3 Ų135.364%0.64278%0.783SS**  trans75.6111.9155.7-58.60000125.3
344H36.8Very low35Very low181 Ų181138.3 Ų138.384%0.83879%0.786SS**  trans61.6125.2130.4-72.5-126000122.3
345S28Very low35Very low120 Ų120136.8 Ų136.884%0.83978%0.781SS**  159.7151.995.7-161.70000113.7
346M38Very low34.8Very low174 Ų174134.2 Ų134.286%0.85779%0.787SS**  trans-95.6138.7-179.6-66.4-157.2-57.300113.8
347V30.2Very low34.7Very low146 Ų146133.2 Ų133.289%0.88579%0.79SS**  trans-146.5136.7149.4-1790000110.8
348Y30.2Very low34.6Very low216 Ų216133.8 Ų133.885%0.84780%0.799SS**  trans-120.9172.1166.9-105.2-64.3000107.3
349P55.3Low34.3Very low105 Ų105134 Ų13468%0.68280%0.8SS**  cis-128.3-139.4-25.343.7-25.5000108.3
350P51.1Low34.5Very low104 Ų104136.2 Ų136.268%0.67580%0.8SS**  cis-127.1-176.5-34.238-21.9000114.3
351S27.8Very low34.4Very low114 Ų114132.6 Ų132.680%0.79780%0.797SS**  trans97.5148.414280.70000122.4
352A30.2Very low34.5Very low91 Ų91136.8 Ų136.875%0.75280%0.802SS**  trans74.392.815700000122
353A31.5Very low34.7Very low90 Ų90134.8 Ų134.874%0.74480%0.8SS**  60.7123.6113.900000123.7
354K31.9Very low34.5Very low188 Ų188138.5 Ų138.582%0.81781%0.81SS**  trans86.7155.6141.2-72.4-179.1177-178.60121.4
355M34.2Very low34.6Very low161 Ų161138.1 Ų138.179%0.79381%0.812SS**  trans5891.2156.859.9-125.6-83.300120.6
356A29.3Very low34.9Very low109 Ų109137.3 Ų137.390%0.90181%0.807SS**  trans-91.7114147.700000109.9
357S31.7Very low34.7Very low106 Ų106136.3 Ų136.374%0.74181%0.805SS**  trans-164.278.8163.258.80000110.3
358T34.2Very low35.2Very low146 Ų146135.1 Ų135.190%0.89680%0.8SS**  trans-85.1113.2174.746.60000111.1
359L33.4Very low35.8Very low161 Ų161134.1 Ų134.184%0.84380%0.803SS**  trans-12.2144.1161.9-54.2169.6000118.8
360P35.3Very low35.7Very low123 Ų123135.3 Ų135.380%0.79980%0.804SS**  trans-77141.215233.7-30.6000110.7
361S31Very low35.1Very low124 Ų124138.9 Ų138.987%0.86781%0.814SS**  trans-83.2145174.5-167.80000111.6
362L36.2Very low36.2Very low158 Ų158141.9 Ų141.983%0.82782%0.815SS**  trans-107.4128.4-179.9-107.8168.7000111.6
363S36Very low36.9Very low107 Ų107142.8 Ų142.875%0.74881%0.807SS**  trans-156.2123158.550.10000104.9
364E32.9Very low37.7Very low184 Ų184145.4 Ų145.486%0.8681%0.808SS**  cis-124.9170.730.8-68161.5106.900115
365I39.3Very low38.7Very low173 Ų173143.6 Ų143.689%0.88781%0.807SS**  trans-86135.6177.9-92.3146.6000111.2
366S32.6Very low39.2Very low104 Ų104142.6 Ų142.673%0.72780%0.804SS**  trans-176.671.7143-177.10000113.9
367N35.2Very low40Very low152 Ų152144.3 Ų144.381%0.81380%0.798SS**  trans168.9138.8136.3-94.5-6.8000112.5
368P40.9Very low40.6Very low121 Ų121146.9 Ų146.979%0.78680%0.803SS**  trans-111.386.9-178.738.7-29.4000114.4
369E42.4Very low41.1Very low196 Ų196146.7 Ų146.792%0.91680%0.796SS**  trans-146.928.5175.2-88.2-153.6136.700116.2
370N51.7Low41.4Very low130 Ų130147 Ų14770%0.69580%0.798SS**  trans-15138.9179.3-156.263.6000117.6
371M39.2Very low41.4Very low178 Ų178149.6 Ų149.688%0.87780%0.804SS**  trans-87.5-2.6179.3-64.5-157.3-63.600115.3
372E51.1Low41.5Very low177 Ų177149.3 Ų149.383%0.82780%0.802SS**G310 helixtrans-86.6-16.7-172.4-153.2163.2-164.900114
373N45.3Very low41.2Very low110 Ų110147.5 Ų147.559%0.58880%0.803SS**G310 helixtrans-89.3-1.2-172.2-124.2-89.1000115.7
374L48Very low41.7Very low145 Ų145148.4 Ų148.476%0.75981%0.806SS**G310 helixtrans-88.2-10.8-174.9-94.2162.5000114.7
375L51.7Low41.5Very low151 Ų151145.8 Ų145.879%0.79180%0.803SS**SBendtrans-89.2-22.4-173.5-80.1149.2000114.5
376D46.4Very low41.1Very low139 Ų139142.2 Ų142.274%0.74379%0.794SS**SBendtrans-83.8-23.5-176.1-93.7-56000115L378D376-L378 VanDerWaalsContact C-N 3.32Å; D376-L378 PolarHBondContact O-N 3.14Å
377N44.4Very low41Very low145 Ų145144.8 Ų144.878%0.77580%0.798SS**THydrogen-bonded Turntrans-81.10.7-167.8-98.2-80.7000116
378L44.3Very low40.7Very low160 Ų160143.5 Ų143.584%0.83880%0.796SS**THydrogen-bonded Turntrans-103.94-170.6-115.2154.2000115D376D376-L378 VanDerWaalsContact C-N 3.32Å; D376-L378 PolarHBondContact O-N 3.14Å
379N45.3Very low40.1Very low142 Ų142143.5 Ų143.576%0.75979%0.794SS**SBendtrans-114.412.7-160-130.8-13000117.1
380L40.6Very low39.4Very low167 Ų167138.7 Ų138.787%0.87478%0.781SS**  trans-132.143.1-173.2-71.8177000116.2
381L35.2Very low38.4Very low178 Ų178138.3 Ų138.393%0.93278%0.784SS**  trans-137.682.7161.9-87.2102.8000113.5
382S32.1Very low38Very low118 Ų118137.8 Ų137.883%0.82578%0.779SS**  trans-172.5123.2141.844.80000112.6
383S31.1Very low37Very low120 Ų120134.3 Ų134.384%0.83978%0.775SS**  trans-94.9149.8157.8-49.50000109.7
384P45.3Very low36.4Very low126 Ų126134.3 Ų134.382%0.81878%0.783SS**  trans-122.7158.1148.636-26.6000112.1
385T30.2Very low36.5Very low129 Ų129133.7 Ų133.779%0.79179%0.788SS**  trans-109.5144.4-171.9-250000112.1
386S29.3Very low35.6Very low99 Ų99129.3 Ų129.369%0.69278%0.779SS**  trans96.3139.1144.1-50.30000121
387L30.8Very low35Very low158 Ų158128.4 Ų128.483%0.82778%0.779SS**  trans102.3112.8147.1-58.6-164.2000120.5
388T28.4Very low34.6Very low124 Ų124128.9 Ų128.976%0.76178%0.779SS**  108.1125.1128.9-60.20000120.6
389V28.5Very low34.4Very low122 Ų122129.3 Ų129.374%0.73978%0.778SS**  trans7698.8152.1161.30000121.2
390S28.3Very low33.9Very low94 Ų94130.6 Ų130.666%0.65778%0.78SS**  51.6149.8114.6-42.20000124
391T30.6Very low33.4Very low122 Ų122131.7 Ų131.775%0.74878%0.78SS**  trans78.4143.4162.875.70000116.2
392Q31Very low33.2Very low167 Ų167129.4 Ų129.478%0.7877%0.774SS**  cis-160.4163.4-9.8-119.6177.6111.900110.3
393S30Very low34.1Very low104 Ų104129.4 Ų129.473%0.72777%0.771SS**  trans52.9111.4145.466.40000122.2
394S33.5Very low33.9Very low110 Ų110128.6 Ų128.677%0.76976%0.764SS**  trans-61-178.4133.5-36.40000110.7
395P50.5Low33.3Very low132 Ų132133.7 Ų133.786%0.85777%0.769SS**  cis-143.9-170.19.943.2-23.3000115.9
396G32.8Very low33.2Very low59 Ų59132 Ų13261%0.60876%0.762SS**  trans138.1116131.100000121
397T33.9Very low33.2Very low121 Ų121137.2 Ų137.274%0.74277%0.773SS**  91.8107.4126.156.40000124.7
398M34.6Very low33.4Very low155 Ų155133.8 Ų133.876%0.76477%0.767SS**  93.9155.1114.8-68-173.2-48.200123.5
399M40.4Very low34.4Very low168 Ų168133.5 Ų133.583%0.82877%0.768SS**  trans76.9109.4177.7-50.6-55.1-167.600115.6
400Q34.5Very low35.6Very low169 Ų169134 Ų13479%0.7977%0.773SS**  cis82.9105.338.9-170.6161.792.100115.6
401Q31.5Very low35.7Very low191 Ų191136.6 Ų136.689%0.89378%0.78SS**  trans-173143.8131.9-103.9162.185.900113.5
402T30.2Very low35.9Very low130 Ų130136.7 Ų136.780%0.79878%0.78SS**  trans-100.3175.9172.17.80000109.6
403P51.5Low36Very low118 Ų118133.1 Ų133.177%0.76677%0.774SS**  cis-148162.935.440.5-18.1000120.9
404C26.6Very low36.3Very low102 Ų102135.9 Ų135.969%0.68978%0.78SS**  trans9.5138.7145.2-163.40000122.5
405Y32.9Very low36Very low234 Ų234138.2 Ų138.292%0.91878%0.783SS**  -154.6161.7121-104.2-73000111.3
406S26.7Very low35Very low93 Ų93136.4 Ų136.465%0.6577%0.774SS**  trans-140.2155.4-171.2-177.60000110.7
407F30.4Very low35.7Very low209 Ų209139.1 Ų139.192%0.91778%0.781SS**  trans-176.5162.2139.2-106.4-70.2000113.2
408A35.3Very low35.6Very low86 Ų86138.5 Ų138.571%0.71178%0.781SS**  trans-124.8173.1-166.500000112.9
409P48.7Very low36.2Very low118 Ų118136.4 Ų136.477%0.76678%0.779SS**  trans-104.7173.1-166.240.6-35.4000115.3
410P53Low35.6Very low132 Ų132135.6 Ų135.686%0.85778%0.778SS**  trans-109.7179.9168.138.9-29.2000114.4
411N30.8Very low35.3Very low148 Ų148137.3 Ų137.379%0.79178%0.779SS**  trans-143.7-175.7-161.1-161.4-18000110.5
412T35.1Very low35.2Very low125 Ų125134.4 Ų134.477%0.76777%0.766SS**  trans78.2151.8170.876.40000117.3
413S33.7Very low35.1Very low91 Ų91136.1 Ų136.164%0.63676%0.762SS**  cis-175.2161-17.550.90000112.6
414L34.8Very low34Very low163 Ų163139 Ų13985%0.85376%0.759SS**  trans61124.4151.3-69.7153.8000121.5
415N28.9Very low34.1Very low158 Ų158139.2 Ų139.285%0.84576%0.757SS**  167.5169.8101.1-145.610.2000113.6
416S28.9Very low33.9Very low95 Ų95138.2 Ų138.266%0.66475%0.753SS**  trans-128.1-174.2173.475.10000110.8
417P47.8Very low34.1Very low116 Ų116136.7 Ų136.775%0.75375%0.752SS**  cis-131.8-162.7-9.537.6-16.3000114.3
418S31.6Very low34.2Very low107 Ų107134.3 Ų134.375%0.74874%0.744SS**  trans-68.9165.9-178.666.80000115.4
419P45.8Very low33.9Very low112 Ų112135.1 Ų135.173%0.72774%0.744SS**  -156.2172.875.541.2-19.7000119.6
420N29.3Very low33.1Very low151 Ų151133.9 Ų133.981%0.80774%0.739SS**  trans-1.5143.2157.4-58.8-62000122.3
421Y27.3Very low32.2Very low205 Ų205136.3 Ų136.380%0.80474%0.741SS**  -162.4162.2115.8-130.3-99.7000115.1
422Q29.2Very low32.5Very low130 Ų130134.9 Ų134.961%0.60774%0.742SS**  trans-91.5163.7-174.2-50.3125.2-71.300113.5
423K27.8Very low33.2Very low165 Ų165134.8 Ų134.872%0.71774%0.744SS**  170.4127.5108.1-89.8-138.5167.3178.30118.5
424Y29.7Very low33.1Very low179 Ų179138 Ų13870%0.70275%0.753SS**  trans48.3163.6134.2-65.1-113.1000123.7
425T27.5Very low33.6Very low107 Ų107135.4 Ų135.466%0.65675%0.746SS**  cis-166.4-174.4-48-58.90000109.6
426Y29.9Very low33.6Very low213 Ų213135.8 Ų135.884%0.83574%0.743SS**  trans97.1124.3164.2-109.1-80.8000117.4
427G30.5Very low33.8Very low61 Ų61138.4 Ų138.463%0.62975%0.746SS**  cis172.8166.6-1200000116
428Q32Very low33.5Very low159 Ų159138.3 Ų138.374%0.74375%0.745SS**  trans68.5142.9168.1-57.8-63.9-19.200117.5
429S29.1Very low33.6Very low102 Ų102142.3 Ų142.371%0.71375%0.754SS**  cis-145.3145.227.3-58.20000116.7
430S32.4Very low33.1Very low93 Ų93144.9 Ų144.965%0.6576%0.757SS**  trans55.2107.9143.764.30000124.9
431M33.9Very low33.7Very low183 Ų183143.4 Ų143.490%0.90175%0.753SS**  67.5137.1129.4-50.4-50.4177.700123.4
432S37Very low34.1Very low118 Ų118141 Ų14183%0.82575%0.754SS**  trans-148.1162.8167.8-45.90000108.3
433P49.4Very low34.4Very low123 Ų123141.9 Ų141.980%0.79976%0.758SS**  -149.5168.47736.2-15000118.1
434L33.2Very low34.3Very low158 Ų158140.8 Ų140.883%0.82776%0.76SS**  trans-13.6170.7154.7-69.9161000120.6
435P44Very low34.3Very low108 Ų108137.5 Ų137.570%0.70175%0.754SS**  cis-140.6157.99.218.78.9000119.7
436Q29.6Very low34.7Very low167 Ų167141.2 Ų141.278%0.7876%0.761SS**  58.6147.2126.6-142-171.3-23.400124.8
437M33.1Very low34.8Very low150 Ų150136.1 Ų136.174%0.73976%0.757SS**  trans89.8165.7161.7-50-58.6-83.800117.1
438P41.3Very low34.7Very low113 Ų113137.6 Ų137.673%0.73476%0.757SS**  -122.7178.5-119.221.16.5000115.7
439M33.4Very low34.8Very low191 Ų191141.4 Ų141.494%0.94177%0.767SS**  trans-64130179.6-89-78.9-77.300114
440Q35.2Very low34.9Very low167 Ų167140.4 Ų140.478%0.7877%0.773SS**  trans-111.6142.7175.4-165.978.652.300110.6
441T42.7Very low34.8Very low120 Ų120139.5 Ų139.574%0.73678%0.777SS**  trans-79.1150.8174.452.80000113.1
442L34.7Very low34.8Very low155 Ų155139.5 Ų139.581%0.81278%0.777SS**  trans-134.4157.7164-73.1172000110.6
443Q35.5Very low34.5Very low148 Ų148137 Ų13769%0.69276%0.76SS**  cis177.6141.7-39.2168.1162.71.900107.4
444D26.7Very low33.6Very low142 Ų142138.5 Ų138.576%0.75976%0.757SS**  trans162.2142.8147.9-91.1-36000111
445N29.3Very low33.6Very low109 Ų109140.2 Ų140.258%0.58375%0.753SS**  cis-165143.2-18.8-152.3-47.8000109.9
446K35.1Very low33Very low186 Ų186143.2 Ų143.281%0.80976%0.764SS**  trans38.7141.7162-75.1155.876.1-178.60119.8
447S32.4Very low33.1Very low106 Ų106141 Ų14174%0.74177%0.765SS**  cis-176177.719.1-113.80000107.6
448S29.1Very low33.4Very low91 Ų91138.3 Ų138.364%0.63677%0.766SS**  cis-169.6132-4.51530000111.5
449Y33.2Very low33.5Very low240 Ų240138.8 Ų138.894%0.94177%0.77SS**  trans67.2136.2156.3-85.7-101.6000123.6
450G32.1Very low33.6Very low81 Ų81133.1 Ų133.184%0.83576%0.76SS**  trans144.2104167.500000111.1
451G30.5Very low33.9Very low73 Ų73132.9 Ų132.975%0.75376%0.763SS**  trans-151.6178.7-168.400000117.3
452M33.1Very low33.8Very low183 Ų183135.6 Ų135.690%0.90177%0.773SS**  trans66.5140.3-178.5-106.466.288.700115.8
453S30.7Very low34.3Very low66 Ų66137.2 Ų137.246%0.46277%0.773SS.*  cis-161.4131.94.2-155.70000112
454Q31.6Very low34.6Very low155 Ų155138.8 Ų138.872%0.72478%0.78SS**  trans54.6157.6145.6-53.9174.746.500118.9
455Y32.8Very low35.4Very low194 Ų194139.6 Ų139.676%0.76178%0.784SS**  cis-151.215326.7-45.2-97.3000112.1
456N31.1Very low35.8Very low171 Ų171142.4 Ų142.491%0.91480%0.798SS**  trans19.5148.6158.8-87.2-40.8000125.3
457C31.2Very low35.8Very low119 Ų119140 Ų14080%0.80480%0.799SS**  trans-104.9144.8-178.3-60.20000115.2
458A40.1Very low35.8Very low94 Ų94139.9 Ų139.978%0.77780%0.798SS**  trans69166.413100000120.2
459P42.8Very low35.9Very low124 Ų124143.3 Ų143.381%0.80581%0.81SS**  cis-131.1163.4-1.339.7-23.6000117
460G35.5Very low36.2Very low72 Ų72136.8 Ų136.874%0.74280%0.799SS**  trans89.4115142.300000120
461L41.5Very low36.8Very low161 Ų161138.9 Ų138.984%0.84380%0.798SS**  trans-178.291.9133.3-101.2170.6000110.9K463L461-K463 HydrophobicContact CD2-CB 4.39Å
462L40.1Very low38.1Very low178 Ų178141.4 Ų141.493%0.93280%0.801SS**  trans-97.573.5168-90.4168.4000109.7
463K46Very low38.1Very low189 Ų189140.7 Ų140.782%0.82280%0.795SS**  trans-148.532.5179-152.5-168.1172.4-176.20114.7L461L461-K463 HydrophobicContact CD2-CB 4.39Å
464E42.3Very low38.1Very low180 Ų180142.8 Ų142.884%0.84180%0.801SS**SBendtrans-14621.7-174.3-143.3174.616600115.9
465L42.2Very low38.1Very low160 Ų160141.3 Ų141.384%0.83880%0.798SS**SBendtrans-117.623.9-179.2-74.8175.2000114.8
466L39.5Very low38.2Very low168 Ų168138.6 Ų138.688%0.8880%0.795SS**SBendtrans-141.354.8-179.8-74.8176.9000114.3
467T33.1Very low38.3Very low134 Ų134138.1 Ų138.182%0.82279%0.79SS**  trans-179.5138.6162.3220000106.4
468S33.1Very low38.6Very low104 Ų104138.4 Ų138.473%0.72779%0.788SS**  cis-148150.25.5-61.80000108.8
469D31.2Very low39.1Very low164 Ų164139.1 Ų139.188%0.87779%0.785SS**  57.2134.2103.1-149.5-141.4000117.7
470S38.8Very low38.7Very low102 Ų102140 Ų14071%0.71379%0.787SS**  trans-100.3159-173.6-49.20000112.4
471P44.8Very low38.6Very low126 Ų126142.9 Ų142.982%0.81879%0.786SS**  -152.2176.783.936.7-15.5000115.9
472P58.9Low39.2Very low125 Ų125141.2 Ų141.281%0.81279%0.785SS**  trans-105.3153.9-171.938.5-33.1000115.9
473H31.8Very low38.8Very low168 Ų168135.4 Ų135.478%0.77877%0.767SS**  trans-154.3129.9164.2-149.537.9000114.3
474N30.8Very low38.2Very low110 Ų110133.5 Ų133.559%0.58877%0.771SS**  trans66111.8149.6-68.78.4000124.5
475D31.9Very low37.8Very low124 Ų124129.6 Ų129.666%0.66377%0.77SS**  83.8136.2112.3-74.3-42.6000124.9
476I35.5Very low37.4Very low137 Ų137130.1 Ų130.170%0.70377%0.768SS**  trans69.5140.5147-91.795.8000117.5
477M32.4Very low38Very low162 Ų162127.3 Ų127.380%0.79876%0.76SS**  cis-153.6157.8-11.1-94.2-130.4-178.500110.3
478T38.5Very low38Very low124 Ų124127.9 Ų127.976%0.76176%0.758SS**  trans-71.7155160.851.90000111.5
479P50.3Low37.9Very low110 Ų110127.1 Ų127.171%0.71475%0.752SS**  -155.7143.194.537.6-17.6000119
480V34.4Very low38.2Very low142 Ų142130.1 Ų130.186%0.86175%0.751SS**  68.4124.3127.8179.90000122.2
481D33.6Very low38.1Very low133 Ų133131 Ų13171%0.71175%0.752SS**  trans-74.1157.5165.7-153-87000111.9G483D481-G483 PolarHBondContact OD1-N 3.21Å
482P53.5Low37.7Very low126 Ų126132.8 Ų132.882%0.81875%0.754SS**  -152.7121.7105.734.2-14.1000116.9
483G32.2Very low36.6Very low55 Ų55130 Ų13057%0.56775%0.749SS**  91.3118.1108.300000122.9D481D481-G483 PolarHBondContact OD1-N 3.21Å
484V34.4Very low36.9Very low149 Ų149130.6 Ų130.690%0.90375%0.752SS**  trans84.6114.9133.9-175.30000121.3
485A32.8Very low37.1Very low98 Ų98132.1 Ų132.181%0.8176%0.76SS**  trans-153.6143.7133.100000112
486Q33.3Very low37.5Very low172 Ų172132.1 Ų132.180%0.80476%0.764SS**  trans-115.6-178.2177.3-83.6-88-12.700108.4
487P52Low37.5Very low109 Ų109132.8 Ų132.871%0.70877%0.766SS**  cis-147.3170.21644.5-24.6000120.6
488N33.2Very low37.6Very low145 Ų145133.3 Ų133.378%0.77577%0.768SS**  trans76.8121.9140.6-118.6-9.8000124
489S31.2Very low37.3Very low88 Ų88130.7 Ų130.762%0.61577%0.766SS**  169.3117.395.5-169.60000116
490R38.5Very low37.4Very low228 Ų228130.6 Ų130.686%0.8677%0.766SS**  trans66.9146.5144.7-69.8177.8-169-1592.3121.9
491V37.2Very low37.2Very low120 Ų120130.9 Ų130.973%0.72776%0.762SS**  cis-170.6162.9-19113.60000111.4
492L36.2Very low37.1Very low163 Ų163129.4 Ų129.485%0.85376%0.762SS**  trans70.9127165.7-91.8154.4000119
493G34.8Very low36.1Very low68 Ų68129.7 Ų129.770%0.70176%0.762SS**  cis171.5174.6-11.800000116.1
494Q39.3Very low36.1Very low180 Ų180135.4 Ų135.484%0.84178%0.776SS**  trans81.187.3167.6-62.5-179.7-5.600119.7
495N35Very low35.9Very low142 Ų142132.9 Ų132.976%0.75977%0.765SS**  36.1146.4110.2-55.518.5000118.8
496V38.8Very low35.8Very low124 Ų124134 Ų13475%0.75276%0.761SS**  cis-150.9119.346.8170.90000113.5
497M35.5Very low35.8Very low150 Ų150136.7 Ų136.774%0.73977%0.766SS**  trans47.3118.6134.3-57.6171.773.100123.8
498M35.4Very low34.8Very low173 Ų173135 Ų13585%0.85277%0.768SS**  67.7129.5116.2-61-88.1-80.200121.5
499G31.1Very low34.7Very low69 Ų69133.6 Ų133.671%0.71177%0.769SS**  148.4141.3112.900000115.9
500P53.8Low35Very low109 Ų109137.4 Ų137.471%0.70878%0.778SS**  trans-133.5-179.3-144.841.2-22.6000116.8
501N29.3Very low34.8Very low147 Ų147130.3 Ų130.379%0.78677%0.767SS**  trans71.4106.8150.8-63.8-22.2000121.5
502S31.4Very low34.6Very low102 Ų102129.1 Ų129.171%0.71376%0.764SS**  60.4143.4106.1-139.80000123.2
503V31.9Very low34.7Very low133 Ų133130.5 Ų130.581%0.80677%0.766SS**  trans62.6145.6168.1-58.30000117.6
504M33.5Very low34.7Very low175 Ų175133.8 Ų133.886%0.86277%0.767SS**  cis-156.8175.921.6-147177.5-166.500113.2
505S29.7Very low34.5Very low96 Ų96133.2 Ų133.267%0.67176%0.762SS**  trans-35.4170.2170.2-44.80000119.2
506T31.1Very low34.3Very low120 Ų120133.6 Ų133.674%0.73676%0.761SS**  cis-170.7177.618.3-9.60000112.4
507Y32.2Very low34.1Very low230 Ų230135.6 Ų135.690%0.90277%0.765SS**  trans72.8133.2170.9-74.1-87.6000117.9
508G32.3Very low33.9Very low73 Ų73135.7 Ų135.775%0.75377%0.768SS**  cis153.4135.9-14.800000114.2
509S30.9Very low34.8Very low115 Ų115132 Ų13280%0.80476%0.757SS**  trans-177.5115.5140.2-158.70000113.6
510Q36.4Very low34.6Very low169 Ų169133.7 Ų133.779%0.7976%0.758SS**  trans35.7139.8134.5-60.5-65.9-22.400121.1
511A34.5Very low33.5Very low78 Ų78133 Ų13365%0.64576%0.756SS**  cis-155.9139.7500000112.6
512S33.5Very low33.6Very low95 Ų95134.6 Ų134.666%0.66476%0.758SS**  45.1141.2124.1-44.10000121.4
513H37.7Very low33.7Very low192 Ų192134.6 Ų134.689%0.88975%0.754SS**  cis-136-167.318.7-107.3-72.3000113.2
514N34.3Very low34Very low137 Ų137136.4 Ų136.473%0.73375%0.753SS**  trans-136.3165.6-144.6-154.3-26.2000114
515K35.8Very low34.8Very low168 Ų168134.2 Ų134.273%0.7375%0.752SS**  trans82.9102.4160-68.7-173.2172.1-1770122.9
516M32Very low34.7Very low151 Ų151133 Ų13374%0.74476%0.755SS**  63.4125105-67.8172.8179.300123.4
517M33.4Very low35Very low166 Ų166136.6 Ų136.682%0.81876%0.763SS**  trans75.3112.1134.1-8662.6169.600123.6
518N32.7Very low35Very low152 Ų152129.9 Ų129.981%0.81376%0.755SS**  80.1174.1129.3-128.125.5000118.4
519P53Low35.1Very low95 Ų95134.3 Ų134.362%0.61776%0.756SS**  -129.7-179.4-104.841.9-24.3000115.8
520S27.2Very low35.2Very low105 Ų105136 Ų13673%0.73475%0.751SS**  trans77.1123.1160.4-56.30000119.9
521S31Very low35.1Very low94 Ų94133.3 Ų133.366%0.65775%0.747SS**  trans48.6115.314459.80000121.3
522H30.4Very low34.9Very low181 Ų181135.1 Ų135.184%0.83876%0.755SS**  172.7169.9105-97.1-70.7000114
523T35.2Very low34.8Very low102 Ų102134.7 Ų134.763%0.62676%0.757SS**  trans-100.8-178.2-17440.30000114
524H36.6Very low34.8Very low171 Ų171131.5 Ų131.579%0.79275%0.75SS**  trans96.4157.7165.7-57.5-63.2000116.4
525P50.6Low34.7Very low129 Ų129132.5 Ų132.584%0.83876%0.756SS**  cis-139.5-179.320.243.1-24.6000118.5
526G28.5Very low34.5Very low71 Ų71128.2 Ų128.273%0.73276%0.759SS**  trans154.883.215900000118.8
527H35.8Very low34.6Very low195 Ų195133 Ų13390%0.90377%0.769SS**  trans12.6136.7154.7-77.8-99.8000121.1
528A33.4Very low34.6Very low89 Ų89130 Ų13074%0.73677%0.77SS**  -170.1145.957.500000116.9
529Q33.9Very low34.7Very low166 Ų166130.6 Ų130.678%0.77677%0.773SS**  trans67.8118.6146.9-72.7-158.7-21.300126
530Q32.8Very low33.5Very low149 Ų149131.6 Ų131.670%0.69678%0.782SS**  10295.7127.4-76.5-1747.800123.5
531T33.8Very low33.8Very low114 Ų114134.8 Ų134.870%0.69979%0.785SS**  77.5116.5124.1550000123.8
532S32.3Very low33.9Very low116 Ų116136.3 Ų136.381%0.81179%0.79SS**  trans73.1142133.4-54.30000120.5
533A31.5Very low34.1Very low86 Ų86133.6 Ų133.671%0.71179%0.786SS**  cis-168.7170.4-19.600000110.3
534V36.2Very low33.9Very low124 Ų124134 Ų13475%0.75279%0.793SS**  trans78.4108.6158.7-179.10000119.9
535N33.2Very low33.7Very low159 Ų159132.9 Ų132.985%0.8580%0.799SS**  trans40.7140.5136.4-56.8-18.5000123.1
536G31.2Very low33Very low77 Ų77135.3 Ų135.379%0.79480%0.801SS**  trans159.498143.100000115.6
537R33.3Very low34Very low252 Ų252136.8 Ų136.895%0.95180%0.797SS**  trans-66.7159.6171.6-73.9175.5163.8178.4-5.5112.8
538A33.3Very low34Very low103 Ų103135.5 Ų135.585%0.85179%0.792SS**  trans106.1141.9135.700000119.3
539L36.4Very low33.7Very low165 Ų165138.1 Ų138.186%0.86479%0.793SS**  trans-72.7146.7175.3-57.8152.2000110.6
540S27.3Very low33.5Very low116 Ų116135.3 Ų135.381%0.81179%0.792SS**  176.1157.2113.3-79.70000113.6
541H33.7Very low33.4Very low172 Ų172131.4 Ų131.480%0.79679%0.792SS**  trans-70.6151.8176.7-50.2-101.1000111.9
542T33.3Very low33.3Very low125 Ų125134.2 Ų134.277%0.76780%0.799SS**  161148.1104.545.90000115.2
543V34.8Very low33.3Very low125 Ų125135.5 Ų135.576%0.75880%0.797SS**  trans56.2119.9151.3-62.30000124
544S31Very low33.2Very low109 Ų109143.6 Ų143.676%0.76281%0.809SS**  52.8124.8126.9-56.50000122.4
545T31.1Very low33Very low149 Ų149145.3 Ų145.391%0.91481%0.813SS**  -161.7142.9114.517.90000111.1
546M36.8Very low32.9Very low180 Ų180143.7 Ų143.789%0.88781%0.809SS**  trans-105161.2165.6-126.2172.3-172.200106.8
547P48.8Very low33.1Very low101 Ų101148.1 Ų148.166%0.65681%0.809SS**  -162.9-179.480.544.4-23.5000119.1
548H35.2Very low33Very low169 Ų169142.1 Ų142.178%0.78280%0.8SS**  trans70.799.7150.8-61.2-45.5000123.6
549N29Very low32.8Very low144 Ų144146.5 Ų146.577%0.7780%0.8SS**  62.1150.1104-158.440.5000123.3
550S29.6Very low32.5Very low107 Ų107143.9 Ų143.975%0.74879%0.791SS**  trans84.4144.7169.2-27.70000116.1
551G29.7Very low33.6Very low67 Ų67143.7 Ų143.769%0.69179%0.787SS**  cis151.2117.5-6.900000114.2
552M32.7Very low33.5Very low173 Ų173141.5 Ų141.585%0.85279%0.786SS**  trans77.8122.2150-63.816063.100123
553N31.9Very low33.4Very low143 Ų143144.2 Ų144.277%0.76579%0.79SS**  trans64.5127.8132-64.1-30.8000123.6
554R29.8Very low33.5Very low255 Ų255144 Ų14496%0.96279%0.788SS**  -154.6155128.4-110.1177.9-157.4-97.61.1113
555L31.1Very low34.2Very low160 Ų160144.8 Ų144.884%0.83879%0.791SS**  trans-107.7-173.8-172.3-90.9149.1000112.4
556T31.8Very low34.5Very low126 Ų126144.4 Ų144.477%0.77378%0.782SS**  trans91.6144.9164.171.60000116.9
557Q33.9Very low35.1Very low170 Ų170141.6 Ų141.679%0.79478%0.777SS**  cis-159.5137.1-6.3-116.1179.67.700109.3
558V31.1Very low34.7Very low125 Ų125144.4 Ų144.476%0.75878%0.781SS**  68.1117.296177.90000119.3
559K28.9Very low35.3Very low195 Ų195141.8 Ų141.885%0.84878%0.779SS**  trans-178.8104143.6-130.7149.4175.2179.20110.7
560T30.9Very low35.4Very low110 Ų110142.9 Ų142.968%0.67578%0.782SS**  59.415189.460.20000117.4
561P51.6Low35.5Very low112 Ų112144.6 Ų144.673%0.72778%0.778SS**  cis-150.3-173.5-1838.4-15.8000118.5
562V31.2Very low35.6Very low127 Ų127149.8 Ų149.877%0.7779%0.786SS**  trans68.2116.5153.6-173.20000121.5
563Q30.7Very low35.5Very low182 Ų182147.1 Ų147.185%0.8579%0.785SS**  169.2158.399-147.1158.44.400112.8
564V35.9Very low35.4Very low121 Ų121144.8 Ų144.873%0.73379%0.785SS**  trans-141.3143.2179.6-175.60000110.2
565P45.6Very low35.5Very low125 Ų125141.2 Ų141.281%0.81279%0.785SS**  -139162.3121.415.47.7000116.1
566L38.5Very low35.4Very low141 Ų141137.2 Ų137.274%0.73878%0.782SS**  trans-77.8-179.1175.1-120.376.9000112.5
567P49.3Very low35.3Very low120 Ų120135.5 Ų135.578%0.77978%0.781SS**  cis-135.6173.127.135.7-12.9000118.5
568H39.5Very low35.1Very low161 Ų161138.8 Ų138.875%0.74579%0.787SS**  trans-91.7170.1169.2-60.349.6000110.8
569P47.7Very low34.9Very low114 Ų114137.9 Ų137.974%0.7479%0.787SS**  -151.8155.185.638.5-19.8000117.8
570M31.7Very low34.9Very low166 Ų166134.8 Ų134.882%0.81879%0.789SS**  trans60.8153.8141.8-71.2-176157.800121.6
571Q32.2Very low34.8Very low143 Ų143136.1 Ų136.167%0.66880%0.797SS**  cis-171.2125.8-21.1167.3176.7-11.700109.3
572M32Very low33.7Very low176 Ų176136.9 Ų136.987%0.86781%0.805SS**  trans-172.5106.3135.4-105.5-61.3177.100108.6
573S29.4Very low33.6Very low118 Ų118136.6 Ų136.683%0.82581%0.809SS**  trans-120.2133.5178.1-62.20000109.5
574A31.2Very low33.6Very low93 Ų93133.8 Ų133.877%0.76981%0.808SS**  trans-149.693.2152.400000110.6
575L31.7Very low33.4Very low181 Ų181135.6 Ų135.695%0.94881%0.813SS**  trans67.1109.4150.8-50.4178.1000118.6
576G29Very low32.9Very low76 Ų76132.5 Ų132.578%0.78480%0.804SS**  trans-148146.7162.400000111.7
577A28.6Very low32.5Very low90 Ų90134.9 Ų134.974%0.74481%0.805SS**  trans72105.2171.400000119.1
578Y30.6Very low31.9Very low239 Ų239132.9 Ų132.994%0.93781%0.805SS**  -100.6129.6124.1-3.6-86.9000107.5
579S27.7Very low31.6Very low106 Ų106133.6 Ų133.674%0.74180%0.802SS**  trans-107.3135174.4-55.90000109.2
580S27.7Very low30.7Very low129 Ų129135.7 Ų135.790%0.90280%0.804SS**  trans-157.5128156.5-83.70000110.7
581V29.6Very low30.5Very low138 Ų138132.8 Ų132.884%0.83680%0.8SS**  trans-102.8141.5-176.5-75.90000110.6
582S27.8Very low30.4Very low128 Ų128132.4 Ų132.490%0.89580%0.801SS**  trans-164.9138.4151.7-84.80000109.9
583S28.8Very low30.4Very low122 Ų122131.6 Ų131.685%0.85380%0.8SS**  trans-132.7135.1-169.4-58.80000111.5
584C30.5Very low30.4Very low123 Ų123132.7 Ų132.783%0.83179%0.792SS**  trans-156.5123.4154.950.90000112
585N32.8Very low30.5Very low158 Ų158136.2 Ų136.285%0.84579%0.792SS**  trans35.3117.1161.7-61.51.6000119.8
586G34Very low30.4Very low60 Ų60134.8 Ų134.862%0.61978%0.78SS**  cis76.812410.400000112.4
587Y31.8Very low30.8Very low192 Ų192138 Ų13875%0.75377%0.773SS**  cis-129.5114.629.5-76.3-107.2000114.4R589Y587-R589 HydrophobicContact CD1-CB 4.43Å; Y587-R589 HydrophobicContact CD1-CG 3.81Å; Y587-R589 HydrophobicContact CE1-CG 4.06Å
588G35.3Very low31.3Very low77 Ų77140.7 Ų140.779%0.79477%0.774SS**SBend-105.6135.5115.300000107.4
589R34.5Very low31.9Very low176 Ų176134.8 Ų134.866%0.66477%0.765SS**  trans-118.7123.2166.6-90.3-165.6-179.7-112.39.8107.5Y587Y587-R589 HydrophobicContact CD1-CB 4.43Å; Y587-R589 HydrophobicContact CD1-CG 3.81Å; Y587-R589 HydrophobicContact CE1-CG 4.06Å
590M28.1Very low32.8Very low159 Ų159133.2 Ų133.278%0.78375%0.754SS**  77.811755.2-170.864.490.900111.7
591S28.2Very low33.6Very low105 Ų105133.9 Ų133.973%0.73475%0.747SS**  trans-58.8138.1175.5-166.50000111.1
592L28.6Very low34.6Very low135 Ų135133.8 Ų133.871%0.70774%0.741SS**  trans-132.8116166.2-150.5162.7000106.5H594L592-H594 PolarHBondContact O-N 2.98Å
593L32.8Very low35.2Very low159 Ų159135.4 Ų135.483%0.83274%0.74SS**  trans-62.6103.6173.3-68.1164.5000108.3
594H28.4Very low36.1Very low141 Ų141132.5 Ų132.565%0.65373%0.73SS**  trans-100.2101.3148.6-148.785.7000107.9L592 E596L592-H594 PolarHBondContact O-N 2.98Å; H594-E596 IonicContact CD2-OE1 3.49Å; H594-E596 PolarHBondContact CD2-OE1 2.79Å; H594-E596 VanDerWaalsContact CD2-OE1 3.25Å; H594-E596 IonicContact NE2-OE1 2.71Å; H594-E596 PolarHBondContact O-N 3.1Å
595Q34.4Very low36.9Very low166 Ų166133.6 Ų133.678%0.77672%0.724SS**  trans-65.885.2160.8178.6-167.298.100106.6K597Q595-K597 VanDerWaalsContact C-N 3.34Å; Q595-K597 PolarHBondContact O-N 3.29Å
596E29.8Very low37.4Very low151 Ų151134.7 Ų134.771%0.70672%0.722SS**  trans-63103.8165-84.2-61.1153.900107.4H594 L598H594-E596 IonicContact CD2-OE1 3.49Å; H594-E596 PolarHBondContact CD2-OE1 2.79Å; H594-E596 VanDerWaalsContact CD2-OE1 3.25Å; H594-E596 IonicContact NE2-OE1 2.71Å; H594-E596 PolarHBondContact O-N 3.1Å; E596-L598 PolarHBondContact O-N 3.46Å
597K36Very low38.3Very low145 Ų145140.4 Ų140.463%0.6374%0.736SS**  trans-54.296.1177.1178.269.4162.6166.80109.1Q595 S600Q595-K597 VanDerWaalsContact C-N 3.34Å; Q595-K597 PolarHBondContact O-N 3.29Å; K597-S600 VanDerWaalsContact CE-OG 3.31Å; K597-S600 WeakPolarHBondContact CE-OG 3.43Å; K597-S600 PolarHBondContact NZ-OG 3.39Å
598L39.9Very low39.3Very low145 Ų145139.1 Ų139.176%0.75974%0.737SS**  trans-51.8138.6160.2-68.2173.3000108.2E596 S600E596-L598 PolarHBondContact O-N 3.46Å; L598-S600 PolarHBondContact O-N 2.93Å; L598-S600 PolarHBondContact O-OG 3.42Å
599P43.2Very low40Very low116 Ų116146.5 Ų146.575%0.75374%0.741SS**  trans-52.2117170.1-25.134.6000109.1D601P599-D601 PolarHBondContact O-N 3.04Å
600S46.3Very low40.9Very low72 Ų72146.1 Ų146.150%0.50375%0.751SS.*SBendtrans-83.254.8-167.2-47.70000111.6K597 L598K597-S600 VanDerWaalsContact CE-OG 3.31Å; K597-S600 WeakPolarHBondContact CE-OG 3.43Å; K597-S600 PolarHBondContact NZ-OG 3.39Å; L598-S600 PolarHBondContact O-N 2.93Å; L598-S600 PolarHBondContact O-OG 3.42Å
601D44.7Very low41.8Very low144 Ų144146 Ų14677%0.7775%0.753SS**  trans-128.917.2-169.3-159.335.4000113.4P599P599-D601 PolarHBondContact O-N 3.04Å
602L50.4Low42.8Very low135 Ų135145.9 Ų145.971%0.70775%0.752SS**  trans-134.48.8175.3-72176.9000114.9G604 M605L602-G604 PolarHBondContact O-N 3.05Å; L602-M605 HydrophobicContact CD2-CG 4.47Å
603D40.8Very low44Very low163 Ų163143.9 Ų143.987%0.87274%0.742SS**THydrogen-bonded Turntrans-71.910.5171.1-77.2-44.4000113.4
604G47.6Very low45.2Very low61 Ų61142.7 Ų142.763%0.62973%0.734SS**THydrogen-bonded Turntrans-110.3-1.9-17900000115.6L602 F606L602-G604 PolarHBondContact O-N 3.05Å; G604-F606 PolarHBondContact O-N 2.96Å
605M46.6Very low46.6Very low146 Ų146141.3 Ų141.372%0.71973%0.727SS**SBendtrans-94.598.7179-65.3-127-61.600110.9L602 I607L602-M605 HydrophobicContact CD2-CG 4.47Å; M605-I607 PolarHBondContact O-N 3.03Å
606F44.3Very low47.8Very low181 Ų181136.3 Ų136.379%0.79471%0.711SS**  trans-49.1119.1173.6-73.5-103.5000111.3G604 E608G604-F606 PolarHBondContact O-N 2.96Å; F606-E608 PolarHBondContact O-N 3.34Å
607I52.1Low49.2Very low180 Ų180133.9 Ų133.992%0.92370%0.702SS**SBendtrans-80.246.1174.2-66.4161.4000109.5M605M605-I607 PolarHBondContact O-N 3.03Å
608E53.1Low50.4Low165 Ų165131.2 Ų131.277%0.77169%0.694SS**  trans-137.738.9-171.9-155.1172.6-146.900111.7F606F606-E608 PolarHBondContact O-N 3.34Å
609R51Low51.3Low232 Ų232132.3 Ų132.388%0.87569%0.687SS**  trans-160.530162-132.4174.1-176.8164.21.9117.5
610L53.2Low51.9Low167 Ų167131.9 Ų131.987%0.87468%0.679SS**  trans-105.846.9169.3-65.8-179.8000111.4
611D46.7Very low52.4Low156 Ų156135.1 Ų135.183%0.83469%0.691SS**  trans-86.5105159.9-141.8-33000107.3D613D611-D613 VanDerWaalsContact C-N 3.35Å; D611-D613 PolarHBondContact O-N 2.83Å; D611-D613 VanDerWaalsContact O-N 3.07Å
612C49.1Very low52.8Low104 Ų104134.7 Ų134.770%0.70369%0.688SS**  trans-81.686.1-179.1-64.60000108.4M614C612-M614 VanDerWaalsContact C-N 3.32Å; C612-M614 PolarHBondContact O-N 3.43Å
613D53Low53.1Low93 Ų93135.2 Ų135.250%0.49769%0.688SS.*  trans-58.890.7177.5-178.30.9000111.3D611 E615 S616D611-D613 VanDerWaalsContact C-N 3.35Å; D611-D613 PolarHBondContact O-N 2.83Å; D611-D613 VanDerWaalsContact O-N 3.07Å; D613-E615 PolarHBondContact O-N 3.46Å; D613-E615 WeakPolarHBondContact OD1-CA 3.33Å; D613-E615 WeakPolarHBondContact OD1-CB 3.24Å; D613-E615 PolarHBondContact OD1-N 3.33Å; D613-S616 PolarHBondContact O-N 3.14Å; D613-S616 PolarHBondContact OD1-N 3.15Å; D613-S616 WeakPolarHBondContact OD2-CB 3.48Å
614M58.9Low53.6Low133 Ų133133.8 Ų133.866%0.65568%0.68SS**Hα-helixtrans-66.4-22.7176.6-153.2-151.8-48.300111.2C612 I617 I618C612-M614 VanDerWaalsContact C-N 3.32Å; C612-M614 PolarHBondContact O-N 3.43Å; M614-I617 PolarHBondContact O-N 3.42Å; M614-I618 HydrophobicContact CG-CD1 4.22Å; M614-I618 WeakPolarHBondContact O-CD1 3.14Å; M614-I618 VanDerWaalsContact O-CG1 3.26Å; M614-I618 WeakPolarHBondContact O-CG1 3.49Å; M614-I618 PolarHBondContact O-N 2.7Å; M614-I618 HydrophobicContact SD-CD1 3.9Å
615E57.7Low53.4Low112 Ų112134.1 Ų134.152%0.52368%0.684SS.*Hα-helixtrans-73-37.1179.3-117.5-175.8121.200111.6D613 I618 R619D613-E615 PolarHBondContact O-N 3.46Å; D613-E615 WeakPolarHBondContact OD1-CA 3.33Å; D613-E615 WeakPolarHBondContact OD1-CB 3.24Å; D613-E615 PolarHBondContact OD1-N 3.33Å; E615-I618 PolarHBondContact O-N 3.48Å; E615-R619 VanDerWaalsContact O-CB 3.28Å; E615-R619 WeakPolarHBondContact O-CB 3.35Å; E615-R619 WeakPolarHBondContact O-CG 3.48Å; E615-R619 PolarHBondContact O-N 3.25Å; E615-R619 IonicContact OE1-CZ 3.25Å; E615-R619 IonicContact OE1-NE 3.62Å; E615-R619 IonicContact OE1-NH2 2.66Å; E615-R619 PolarHBondContact OE1-NH2 3Å
616S59.6Low53.3Low62 Ų62134.3 Ų134.343%0.43469%0.688SS.*Hα-helixtrans-62.2-41.7170.2-178.90000112.1D613 R619 N620D613-S616 PolarHBondContact O-N 3.14Å; D613-S616 PolarHBondContact OD1-N 3.15Å; D613-S616 WeakPolarHBondContact OD2-CB 3.48Å; S616-R619 PolarHBondContact O-N 2.93Å; S616-N620 WeakPolarHBondContact O-CB 3.2Å; S616-N620 PolarHBondContact O-N 3.02Å
617I59.4Low53.6Low100 Ų100131.9 Ų131.951%0.51369%0.689SS.*Hα-helixtrans-64.3-47.8177.3-60.1172.3000110.5M614 R619 N620 D621M614-I617 PolarHBondContact O-N 3.42Å; I617-R619 PolarHBondContact O-N 2.65Å; I617-N620 PolarHBondContact O-N 3.37Å; I617-D621 PolarHBondContact O-N 2.84Å; I617-D621 VanDerWaalsContact O-N 3.07Å
618I61Low53.5Low89 Ų89130.6 Ų130.646%0.45668%0.682SS.*Hα-helixtrans-64.5-40.5179.4-67.1164.2000111.1M614 E615 L622M614-I618 HydrophobicContact CG-CD1 4.22Å; M614-I618 WeakPolarHBondContact O-CD1 3.14Å; M614-I618 VanDerWaalsContact O-CG1 3.26Å; M614-I618 WeakPolarHBondContact O-CG1 3.49Å; M614-I618 PolarHBondContact O-N 2.7Å; M614-I618 HydrophobicContact SD-CD1 3.9Å; E615-I618 PolarHBondContact O-N 3.48Å; I618-L622 HydrophobicContact CG2-CD2 4.47Å; I618-L622 WeakPolarHBondContact O-CB 3.4Å; I618-L622 PolarHBondContact O-N 3.07Å
619R59.1Low52.7Low167 Ų167129.1 Ų129.163%0.6368%0.68SS**Hα-helixtrans-73-32.1-179.5-69.5174.7-169.2-141.211.6113.1E615 S616 I617 M623E615-R619 VanDerWaalsContact O-CB 3.28Å; E615-R619 WeakPolarHBondContact O-CB 3.35Å; E615-R619 WeakPolarHBondContact O-CG 3.48Å; E615-R619 PolarHBondContact O-N 3.25Å; E615-R619 IonicContact OE1-CZ 3.25Å; E615-R619 IonicContact OE1-NE 3.62Å; E615-R619 IonicContact OE1-NH2 2.66Å; E615-R619 PolarHBondContact OE1-NH2 3Å; S616-R619 PolarHBondContact O-N 2.93Å; I617-R619 PolarHBondContact O-N 2.65Å; R619-M623 WeakPolarHBondContact O-CB 3.22Å
620N55.3Low52.2Low107 Ų107126.8 Ų126.857%0.57268%0.676SS**Hα-helixtrans-97.7-21.1-172.3-151113.5000114.7S616 I617S616-N620 WeakPolarHBondContact O-CB 3.2Å; S616-N620 PolarHBondContact O-N 3.02Å; I617-N620 PolarHBondContact O-N 3.37Å
621D57Low51.6Low141 Ų141124.9 Ų124.975%0.75467%0.667SS**Hα-helixtrans-99.1-16.4174.7-85.1-56.6000113.6I617I617-D621 PolarHBondContact O-N 2.84Å; I617-D621 VanDerWaalsContact O-N 3.07Å
622L52.3Low51.3Low134 Ų134126.9 Ų126.970%0.70267%0.669SS**Hα-helixtrans-105.6-17.2-174.7-165.158.4000114.8I618I618-L622 HydrophobicContact CG2-CD2 4.47Å; I618-L622 WeakPolarHBondContact O-CB 3.4Å; I618-L622 PolarHBondContact O-N 3.07Å
623M58.3Low50.5Low147 Ų147128.5 Ų128.572%0.72467%0.671SS**SBendtrans-102.2-18.6-176.5-68.7-94.858.400114.8R619 G625R619-M623 WeakPolarHBondContact O-CB 3.22Å; M623-G625 VanDerWaalsContact C-N 3.3Å; M623-G625 PolarHBondContact O-N 2.81Å
624D51.5Low49.9Very low132 Ų132131.1 Ų131.171%0.70669%0.685SS**  trans-94.445.8-179.7-68.5-45.7000112.5
625G43.2Very low48.7Very low69 Ų69130.8 Ų130.871%0.71169%0.69SS**  trans-117.681.5178.300000111.8M623M623-G625 VanDerWaalsContact C-N 3.3Å; M623-G625 PolarHBondContact O-N 2.81Å
626D42.8Very low47.8Very low149 Ų149132.5 Ų132.580%0.79770%0.702SS**  trans-51.9144.8-175.1-85.3-54.5000115.1L628D626-L628 PolarHBondContact O-N 3.13Å
627T52.1Low47.3Very low131 Ų131134.1 Ų134.180%0.80471%0.711SS**  trans-25.2117.5171.853.60000116.3
628L48.9Very low45.8Very low152 Ų152136 Ų13680%0.79672%0.722SS**  trans-121.4106.9157.3-72.9177000110.2D626 F630D626-L628 PolarHBondContact O-N 3.13Å; L628-F630 HydrophobicContact CB-CE2 4.46Å
629D37.6Very low44.5Very low135 Ų135139.5 Ų139.572%0.72274%0.737SS**  trans-64.3132.2175.7179.79.5000111.3N631D629-N631 PolarHBondContact OD1-N 3.19Å
630F39.3Very low43Very low182 Ų182135.3 Ų135.380%0.79873%0.733SS**  trans-128.358.6172.1-82.8-77000111.1L628L628-F630 HydrophobicContact CB-CE2 4.46Å
631N41.8Very low42Very low128 Ų128139.4 Ų139.468%0.68475%0.746SS**  trans-72.1119.2160.9-135.4-33.6000110.2D629D629-N631 PolarHBondContact OD1-N 3.19Å
632F39Very low41.3Very low198 Ų198137.5 Ų137.587%0.86874%0.741SS**  trans-137.4108.6162.2-105-77.9000111.2
633D32.5Very low40.4Very low138 Ų138140.4 Ų140.474%0.73875%0.751SS**  trans-71158.6177.7-150.7-52.1000111.6
634N40.2Very low39.1Very low148 Ų148138.7 Ų138.779%0.79175%0.753SS**  trans-105.191.7-166.9178.532.6000111.6
635V35.2Very low38.4Very low126 Ų126138.8 Ų138.876%0.76476%0.758SS**  trans-134.1102.8178.3-169.80000112.9
636L38.7Very low38Very low147 Ų147144.8 Ų144.877%0.7777%0.765SS**  trans-67.2151158.8-98.3154.8000110.2
637P47.5Very low37.8Very low97 Ų97144 Ų14463%0.6377%0.765SS**  -159.3174.179.242.5-22.8000118.7
638N29.4Very low36.8Very low140 Ų140142.8 Ų142.875%0.74976%0.758SS**  trans67.8140.6157.9-74.7-57000118.1
639Q33Very low36.5Very low162 Ų162142 Ų14276%0.75776%0.759SS**  cis-152.51600.9-101.7-136.572.300110.6
640S28.6Very low36.6Very low79 Ų79142.9 Ų142.955%0.55276%0.759SS**  trans11.7141.2152.2-81.60000121
641F32.5Very low36.4Very low192 Ų192139.9 Ų139.984%0.84276%0.761SS**  cis-162.4-173.736.2-113.5-40.6000111.2
642P43.7Very low36.2Very low101 Ų101145.1 Ų145.166%0.65677%0.771SS**  trans-103.6168.3-139.842.3-34.6000115.6
643H33.3Very low36.2Very low196 Ų196142.5 Ų142.591%0.90777%0.771SS**  trans-149.3127.3137.8-10367000108.7
644S31.2Very low36.8Very low110 Ų110141.4 Ų141.477%0.76977%0.774SS**  trans-94.8134.8-177.460.30000111.9
645V36Very low36.7Very low134 Ų134141.6 Ų141.681%0.81281%0.811SS**  trans-112.7111.1167.1-179.50000107.4T647V645-T647 PolarHBondContact O-N 3.18Å
646K35.5Very low36.8Very low196 Ų196142.4 Ų142.485%0.85281%0.813SS**  trans-81.1107.1174.6-74.9-176.9175.4178.10109.6
647T38.2Very low36.7Very low131 Ų131142.1 Ų142.180%0.80482%0.816SS**  trans-74.4119.9161.3510000108.7V645V645-T647 PolarHBondContact O-N 3.18Å
648T31.9Very low36.1Very low107 Ų107144.6 Ų144.666%0.65683%0.826SS**  trans-104.7117.9171-159.30000111.4H650T648-H650 PolarHBondContact OG1-CD2 3.14Å; T648-H650 VanDerWaalsContact OG1-CD2 3.31Å; T648-H650 PolarHBondContact OG1-NE2 2.81Å
649T41.3Very low36.5Very low134 Ų134144.9 Ų144.982%0.82283%0.83SS**  trans-106.2114.8170.316.20000107.6
650H40.6Very low36.7Very low154 Ų154143.8 Ų143.871%0.71384%0.835SS**  trans-107.4122.5173-73-70.7000110.8T648T648-H650 PolarHBondContact OG1-CD2 3.14Å; T648-H650 VanDerWaalsContact OG1-CD2 3.31Å; T648-H650 PolarHBondContact OG1-NE2 2.81Å
651S35.5Very low37.2Very low120 Ų120148.1 Ų148.184%0.83985%0.854SS**  trans-82.5150176.3-172.30000110.8
652W36.2Very low37.6Very low238 Ų238145 Ų14590%0.90286%0.855SS**  trans-110.1104.3174.7-72.990.9000110.8
653V39.9Very low37.1Very low142 Ų142148.4 Ų148.486%0.86187%0.87SS**  trans-155.9130.8146.5157.60000106.7
654S43.8Very low37.4Very low115 Ų115144.4 Ų144.480%0.80487%0.867SS**  trans-91.3143.3169.3-62.40000110.6
655G38.9Very low38Very low152 Ų152147.5 Ų147.5100%1.56788%0.876SS**  trans-117.20157.200000109.3

Retrieved 655 of 655 residues in 174.6 ms (Link to these results)