A0A087Y7K9_POEFO Loading...

Zic family member 1 (odd-paired homolog, Drosophila)

AlphaFold DB , UniProt , Accession A0A087Y7K9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 441 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.3Very low37.5Very low229 Ų229144.7 Ų144.7100%1.12881%0.812SS**  0134.50-89.2177.1165.700107.4
2L35Very low37.6Very low148 Ų148145.5 Ų145.578%0.77581%0.81SS**  trans61.3123.5170.9-76.369.3000115.4
3L36.1Very low37.1Very low148 Ų148140.3 Ų140.378%0.77581%0.809SS**  71.7145.6103.5-57.9-179.1000113.9
4D35Very low36.9Very low138 Ų138139.1 Ų139.174%0.73881%0.805SS**  cis-142.9157.19.4-149.1-34.8000111.5
5A35Very low36.6Very low105 Ų105139.6 Ų139.687%0.86881%0.811SS**  trans-154.165.1178.200000111.7
6G34.7Very low36.4Very low62 Ų62137.6 Ų137.664%0.63980%0.802SS**  trans-92.1160.3172.700000113.8
7P45.9Very low36.2Very low119 Ų119141.5 Ų141.577%0.77381%0.807SS**  trans-102.8159-137.737.2-37000116.3
8Q37.6Very low35.7Very low193 Ų193137.8 Ų137.890%0.90281%0.805SS**  trans-120.5129.6159.1-63.7-172.340.600109.6
9Y36.8Very low35.5Very low214 Ų214136.5 Ų136.584%0.83980%0.804SS**  trans-75.2156.9171.3-79.5-94.9000110.6
10P47.2Very low35.3Very low120 Ų120134.1 Ų134.178%0.77980%0.795SS**  -139.8133.3109.135.5-23.3000115.9
11T33.9Very low35.3Very low116 Ų116138 Ų13871%0.71280%0.796SS**  21.7114129.1-44.60000120.5
12I38.1Very low35.3Very low154 Ų154134 Ų13479%0.7977%0.774SS**  trans32119.1134-46.9173.2000118.5V14I12-V14 HydrophobicContact CG2-CG2 4.34Å
13G31.8Very low35.2Very low78 Ų78134.5 Ų134.580%0.80477%0.772SS**  trans-137.9140.8156.100000110.9
14V34.4Very low35Very low124 Ų124131.4 Ų131.475%0.75276%0.763SS**  trans-122.8130.1-175.3175.90000110.5I12I12-V14 HydrophobicContact CG2-CG2 4.34Å
15T31.6Very low34.9Very low146 Ų146131.1 Ų131.190%0.89677%0.766SS**  trans-159167.1155.317.20000111.8
16T34.5Very low34.7Very low107 Ų107129.9 Ų129.966%0.65676%0.764SS**  trans-120.4-176.9-165.946.40000113.2
17F32.1Very low34.5Very low205 Ų205136 Ų13690%0.89978%0.775SS**  trans71.3148.9-175.8-50.9-84.2000112.8
18G28.1Very low33.9Very low74 Ų74136.4 Ų136.476%0.76378%0.776SS**  cis131.1150.316.400000107.9
19S32.2Very low33.6Very low113 Ų113132 Ų13279%0.7977%0.772SS**  cis-166.6151.1-0.3-168.90000110.7
20S31.6Very low33.4Very low88 Ų88130.8 Ų130.862%0.61577%0.774SS**  trans69.6146.6153.1-118.10000122.9
21R35.1Very low32.8Very low218 Ų218136.9 Ų136.982%0.82378%0.782SS**  trans71.3151.1142.7-73.6158.2-171.4-112.1-9.2120.4
22H33.7Very low32.7Very low144 Ų144140.2 Ų140.267%0.66779%0.789SS**  cis-178.7150.9-33.8-124.8-86000107.7
23H33.2Very low32.3Very low158 Ų158139.4 Ų139.473%0.73179%0.791SS**  trans64.4156.6157.2-81.5-57.8000118.8
24S32.8Very low32.1Very low83 Ų83139.5 Ų139.558%0.5879%0.785SS**  cis-156.5155.4-18.8-146.90000112.6
25T33.3Very low31.7Very low133 Ų133142 Ų14282%0.81679%0.793SS**  trans19.3134.9142.753.80000122
26G29.6Very low31.3Very low79 Ų79138.6 Ų138.681%0.81479%0.787SS**  trans-153.6117.7151.900000112
27E30.8Very low31.1Very low189 Ų189141.1 Ų141.188%0.88379%0.794SS**  trans-87.4-178.7163.4-53.9171122.500108.2
28V33.1Very low31.4Very low129 Ų129138.9 Ų138.978%0.78279%0.792SS**  cis-151.4153.910-164.80000106.8
29A30.7Very low32.1Very low100 Ų100140.1 Ų140.183%0.82679%0.786SS**  trans-174136.1143.900000112.6
30E33.2Very low31.8Very low189 Ų189143.2 Ų143.288%0.88379%0.786SS**  trans-95.4159.6172.6-58.3172.6129.200111.9
31R35.1Very low31.8Very low248 Ų248143 Ų14394%0.93679%0.789SS**  trans-164.1122.3149.9-114.8170-172.4177.32.4112
32E32.3Very low31.7Very low185 Ų185138.9 Ų138.986%0.86478%0.783SS**  trans-81.9161.1163.9-58.4-167.7130.700111.2
33V29.3Very low31.5Very low138 Ų138135.3 Ų135.384%0.83679%0.786SS**  178103.1125.7151.20000110.8
34A26.9Very low31.5Very low80 Ų80136.2 Ų136.266%0.66179%0.793SS**  43.3133.4125.900000123.9
35L26.7Very low31.3Very low177 Ų177136.4 Ų136.493%0.92781%0.807SS**  trans84.2120.3138.6-66.9163.2000123.1
36G23.6Very low31Very low74 Ų74134.3 Ų134.376%0.76380%0.804SS**  trans90.8155.2145.500000117.5
37I29.9Very low30.9Very low159 Ų159140.3 Ų140.382%0.81581%0.808SS**  cis-147.4130.8-7.7-60.7-177.9000108.5
38N38.1Very low30.8Very low158 Ų158138.9 Ų138.985%0.84580%0.799SS**  trans-93.2147156.7-71.5-40.8000107.9
39P42.1Very low30.7Very low100 Ų100141 Ų14165%0.64980%0.804SS**  -161.7-179.498.342.5-22.6000117.9
40F27.6Very low30.5Very low178 Ų178141.7 Ų141.778%0.78179%0.794SS**  trans62.9130.8169.6-71.7-88000117.2
41A31.9Very low30.3Very low83 Ų83141.8 Ų141.869%0.68679%0.793SS**  cis73150.434.200000113
42D32.8Very low30Very low132 Ų132135.7 Ų135.771%0.70679%0.789SS**  cis-144.1179.525.8-131.1-56.4000113.5
43G28.5Very low29.9Very low69 Ų69132 Ų13271%0.71178%0.783SS**  trans-166-7.8-177.200000121.3
44M33.5Very low30Very low178 Ų178134 Ų13488%0.87778%0.783SS**  trans32.9130.7164-67.1-174.6-81.700122.6
45G27.5Very low30Very low86 Ų86135.8 Ų135.889%0.88778%0.782SS**  trans-176.667.3166.200000114.9
46A28.4Very low30.2Very low90 Ų90134.3 Ų134.374%0.74477%0.773SS**  trans-116.9149.9-17500000113.2
47F27.2Very low30.4Very low205 Ų205135.1 Ų135.190%0.89977%0.767SS**  trans-152.4142.9149.8-110.6-73.1000114
48K28.7Very low30.4Very low159 Ų159133.3 Ų133.369%0.69177%0.769SS**  trans-53.4152.5-169.4-62.1163.4172.8171.90117.5
49I30.4Very low30Very low173 Ų173129.2 Ų129.289%0.88776%0.764SS**  -126.4135.8121.2-59.2-177.8000107.3
50N26.1Very low29.6Very low115 Ų115133.2 Ų133.262%0.61577%0.774SS**  trans-81.2151.6-179.8-74.40.4000112.1
51H29.9Very low29.8Very low190 Ų190131.3 Ų131.388%0.8878%0.777SS**  trans-85.2148.7152.6-108.461.1000109.6
52S27.9Very low29.6Very low121 Ų121132.1 Ų132.185%0.84678%0.784SS**  trans-110.9123.8168-630000109.2
53S31.7Very low29.3Very low106 Ų106135.5 Ų135.574%0.74179%0.792SS**  trans-109.9144.5-17853.30000111.8
54H31.5Very low29.2Very low180 Ų180137 Ų13783%0.83379%0.792SS**  trans-164.9142.9152.1-92-65.2000107.5
55D26.6Very low29Very low119 Ų119133.3 Ų133.364%0.63678%0.784SS**  cis-171.7178.6-19.7-144-29.7000109.6
56I30.6Very low29.2Very low146 Ų146138.3 Ų138.375%0.74978%0.784SS**  trans67.8133.3150.9-69.5158.2000118.8
57S27.3Very low29.1Very low90 Ų90138.5 Ų138.563%0.62979%0.785SS**  cis-165.5164.3-26.475.10000110.6
58S30.7Very low30.2Very low121 Ų121135 Ų13585%0.84678%0.783SS**  trans47.7137.8141.2-52.30000122.2
59G30Very low30.2Very low72 Ų72130.4 Ų130.474%0.74278%0.781SS**  cis160.4-175.5-400000114.5
60Q33.1Very low30.2Very low185 Ų185133.5 Ų133.586%0.86478%0.783SS**  trans72.186.6163.4-61-171-8.200121
61T31.1Very low30.5Very low137 Ų137132.5 Ų132.584%0.8479%0.791SS**  27.5129.711558.10000121.8
62A27.3Very low30.7Very low101 Ų101128 Ų12884%0.83579%0.786SS**  -165.2140122.900000115.1
63F26.9Very low30.8Very low202 Ų202127.1 Ų127.189%0.88679%0.787SS**  trans-24.7139.6162-91.5-105.5000120.7
64S27.3Very low30.8Very low102 Ų102127 Ų12771%0.71379%0.792SS**  164.1117.7101.7-85.60000116.9
65S29.4Very low30.9Very low99 Ų99122.5 Ų122.569%0.69279%0.786SS**  trans39.6147.3134.270.90000125.4
66Q30.5Very low31.3Very low192 Ų192125.4 Ų125.490%0.89780%0.801SS**  trans105.9142.1152-58.8-173.68.600119.4
67A27.6Very low31.3Very low93 Ų93121.7 Ų121.777%0.76980%0.798SS**  trans-138.9-172.2173.500000106.2
68P49.2Very low31.5Very low132 Ų132125.2 Ų125.286%0.85781%0.805SS**  cis-131.8-169.9-242.4-24.9000113.9
69G29.2Very low31.6Very low62 Ų62126.9 Ų126.964%0.63980%0.799SS**  trans-176.1113.5170.400000118.6
70Y31.4Very low31.7Very low238 Ų238132.3 Ų132.393%0.93381%0.805SS**  trans46.4138.8153.968.2-89.9000125.1
71A31.4Very low31.7Very low94 Ų94131.5 Ų131.578%0.77780%0.8SS**  trans-97.3-170.8-169.400000116.6
72A33.3Very low32.6Very low95 Ų95129.5 Ų129.579%0.78579%0.79SS**  trans79.3126.9158.100000117.9
73A31.8Very low32.7Very low103 Ų103130.3 Ų130.385%0.85178%0.784SS**  89147.85400000112.7
74A31.1Very low33Very low104 Ų104128.4 Ų128.486%0.8678%0.778SS**  cis-150.2-164.66.100000112.5
75A33.6Very low33.1Very low86 Ų86130.2 Ų130.271%0.71179%0.785SS**  trans-83.3169.4-176.700000115
76L35.2Very low32.9Very low179 Ų179129.1 Ų129.194%0.93779%0.789SS**  178.3166.683.9-82.2167.7000111.4
77G30.5Very low32.9Very low68 Ų68125.2 Ų125.270%0.70178%0.782SS**  trans156.280.1158.500000122.4
78H31.9Very low33Very low165 Ų165131.7 Ų131.776%0.76479%0.789SS**  trans41.6126.5146.7-61.7-68.8000126.9
79H31.2Very low32Very low155 Ų155130.4 Ų130.472%0.71878%0.783SS**  trans38.6133.3136.4-51.4-58000124.5
80H32.3Very low32Very low187 Ų187134.2 Ų134.287%0.86679%0.794SS**  -166157.899.9-105.1-78.1000113.7
81H34.5Very low31.8Very low167 Ų167127.4 Ų127.477%0.77379%0.787SS**  trans-149.3167171.7-151.5-130.3000105
82P48.4Very low31.8Very low95 Ų95127.3 Ų127.362%0.61779%0.786SS**  cis-156.3-162.538.541.9-16.5000118.6
83T29.7Very low31.5Very low118 Ų118132.9 Ų132.972%0.72479%0.793SS**  trans77155.3154.456.20000121.4
84H33.5Very low31.4Very low162 Ų162135.8 Ų135.875%0.7579%0.794SS**  cis-172.2165.7-41.9-143.5-99.3000111.2
85V29.1Very low31.3Very low141 Ų141135.6 Ų135.686%0.85579%0.787SS**  trans56.3153164.9-108.60000121.2
86G25.7Very low31.4Very low76 Ų76137.5 Ų137.578%0.78479%0.79SS**  trans146.365.1161.400000116.2
87S31Very low31.5Very low109 Ų109138.8 Ų138.876%0.76278%0.782SS**  trans-129.8122.4-177.7-178.50000113.6
88Y28.9Very low31.6Very low229 Ų229140.1 Ų140.190%0.89877%0.773SS**  trans-153.5148.1152.512-101.9000112.2
89S29.5Very low31.6Very low106 Ų106142 Ų14274%0.74178%0.779SS**  trans-86.1161.6-168.5-440000114.4
90T28.3Very low31.9Very low142 Ų142140.3 Ų140.387%0.87178%0.775SS**  -179.3159111.926.90000114.7
91A27.8Very low32.2Very low95 Ų95139.5 Ų139.579%0.78577%0.77SS**  trans60.391.2153.400000121.1
92A30.1Very low32.1Very low92 Ų92141.5 Ų141.576%0.7677%0.77SS**  trans9132.3136.700000122
93F26.9Very low31.2Very low211 Ų211145.1 Ų145.193%0.92579%0.785SS**  -154.2117.2122.4-110-70.9000111.5
94N30.4Very low31.5Very low164 Ų164150.7 Ų150.788%0.87779%0.792SS**  trans-79.6122.2173.5-90.4-31.3000110.5
95S28.4Very low31.3Very low101 Ų101146.2 Ų146.271%0.70679%0.79SS**  trans-124.395.3173.8-170.10000110.7R97S95-R97 PolarHBondContact O-N 3.34Å
96T35.6Very low31.5Very low125 Ų125148.7 Ų148.777%0.76779%0.789SS**  trans-76.533.6-166.2-26.70000114.7
97R37.7Very low31.6Very low206 Ų206148.1 Ų148.178%0.77778%0.784SS**  trans-91.7-17.5-154.8-115.4-17471.5143.6-0.4118.5S95S95-R97 PolarHBondContact O-N 3.34Å
98D32Very low31.5Very low97 Ų97149.7 Ų149.752%0.51978%0.784SS.*SBendtrans-106.8-25.3-168.5-83.1-81.1000116.6L100 F101 R102D98-L100 PolarHBondContact O-N 3.03Å; D98-F101 PolarHBondContact O-N 3.21Å; D98-R102 PolarHBondContact O-N 3.41Å
99F32.3Very low31.7Very low203 Ų203143.3 Ų143.389%0.8978%0.778SS**THydrogen-bonded Turntrans-69.4-7.3-167.7-81.2-75.7000116.6
100L38.8Very low31.6Very low120 Ų120143.3 Ų143.363%0.62879%0.785SS**THydrogen-bonded Turntrans-106.2-6.6177.4-68.4-179.2000114.8D98D98-L100 PolarHBondContact O-N 3.03Å
101F38.2Very low31.6Very low171 Ų171139.8 Ų139.875%0.7578%0.777SS**THydrogen-bonded Turntrans-127.1-11.7-172.5-67.1-73.3000115.5D98 N103D98-F101 PolarHBondContact O-N 3.21Å; F101-N103 PolarHBondContact O-N 3.44Å; F101-N103 VanDerWaalsContact O-N 3.11Å
102R31.8Very low31.7Very low208 Ų208140.5 Ų140.579%0.78578%0.782SS**  trans-69.7-8.2-170.7-134.5174.1-171.9-135.3-2.3116.5D98 R104D98-R102 PolarHBondContact O-N 3.41Å; R102-R104 VanDerWaalsContact C-N 3.31Å; R102-R104 PolarHBondContact O-N 3.15Å
103N29.6Very low31.7Very low172 Ų172144.2 Ų144.292%0.9278%0.784SS**  trans-90.854.5173.1-75.519000112.4F101F101-N103 PolarHBondContact O-N 3.44Å; F101-N103 VanDerWaalsContact O-N 3.11Å
104R36Very low31.9Very low234 Ų234143 Ų14388%0.88378%0.781SS**SBendtrans-140.336.5169.2-149.6179.7177.71560.8115.5R102R102-R104 VanDerWaalsContact C-N 3.31Å; R102-R104 PolarHBondContact O-N 3.15Å
105G30.2Very low31.7Very low68 Ų68140.3 Ų140.370%0.70178%0.775SS**  trans70.1155151.800000118.7
106F33.1Very low31.9Very low193 Ų193142.6 Ų142.685%0.84678%0.779SS**  trans-158.8170.4132.1-133.3-95.8000109.9D108F106-D108 WeakPolarHBondContact CE1-OD1 3.35Å
107G27.2Very low31.7Very low65 Ų65146.7 Ų146.767%0.6779%0.786SS**  trans113.5104.2176.300000114.4
108D29.8Very low31.2Very low141 Ų141141.5 Ų141.575%0.75479%0.787SS**  cis-155.7172.9-25.7-125.4-48.5000111F106F106-D108 WeakPolarHBondContact CE1-OD1 3.35Å
109A31.5Very low31.2Very low95 Ų95143.1 Ų143.179%0.78581%0.807SS**  trans-96.7116-178.200000113.6
110A29Very low30.9Very low106 Ų106137.3 Ų137.388%0.87680%0.804SS**  trans-123.1147.2152.200000107.1
111G27.2Very low30.5Very low68 Ų68136.7 Ų136.770%0.70181%0.809SS**  cis134.19717.300000105.6Q113G111-Q113 PolarHBondContact O-N 3.27Å
112A30.6Very low30.1Very low110 Ų110138.7 Ų138.791%0.90982%0.818SS**  trans-67.8120.1-160.200000112.7
113Q30.2Very low29.9Very low170 Ų170132.4 Ų132.479%0.79482%0.818SS**  trans-136.3109.4164.6-67.8-166.10.800110.1G111G111-Q113 PolarHBondContact O-N 3.27Å
114H30.6Very low29.9Very low185 Ų185127.8 Ų127.886%0.85681%0.811SS**  trans-132.673.8160.6-113-78.1000107.7L116H114-L116 PolarHBondContact O-N 3.4Å
115S26.9Very low30.6Very low108 Ų108121.9 Ų121.976%0.75580%0.803SS**  trans-72.6109.7172.2-57.20000108.9
116L32.2Very low30.7Very low150 Ų150127.8 Ų127.879%0.78581%0.812SS**PPolyproline II helixtrans-102.2156161-72.2174.6000109.4H114H114-L116 PolarHBondContact O-N 3.4Å
117F30.6Very low30.4Very low210 Ų210122.3 Ų122.392%0.92181%0.81SS**PPolyproline II helixtrans-65.2148.8-159.8-72.4-98.7000114.3
118A27.7Very low30.4Very low97 Ų97128.3 Ų128.380%0.80282%0.82SS**PPolyproline II helixtrans-103.7144.7174.400000111.8
119S32.2Very low30.3Very low132 Ų132127.2 Ų127.292%0.92382%0.824SS**  trans-170.6147.2152.444.90000110.3
120G26.5Very low30.2Very low81 Ų81131.9 Ų131.984%0.83583%0.83SS**  trans122.494.3174.600000114.9
121S30.5Very low30.3Very low106 Ų106132 Ų13274%0.74183%0.83SS**  trans-77.1158.5165-55.50000111.3
122F29.4Very low30.5Very low213 Ų213133.8 Ų133.893%0.93484%0.839SS**  170.9142117.4-92.9-64.6000112.5
123G28.1Very low30.4Very low77 Ų77132 Ų13279%0.79483%0.831SS**  trans75115.9152.100000119.8
124G27.5Very low30.4Very low75 Ų75132 Ų13277%0.77383%0.831SS**  trans-104.9-151.1144.800000109.3
125P51.8Low30.5Very low109 Ų109130.3 Ų130.371%0.70883%0.827SS**  cis-134.2-148.1-11.842.3-24.4000112.3
126H31.5Very low30.5Very low192 Ų192133.2 Ų133.289%0.88983%0.833SS**  trans94.3147.4168.1-56.9-72.2000119.3
127G27Very low30.7Very low78 Ų78135.6 Ų135.680%0.80484%0.838SS**  trans139.465.9162.400000117.2
128H28.3Very low31.3Very low191 Ų191131.4 Ų131.488%0.88483%0.832SS**  trans-77.7140.7164.4-78.4-108.9000110.8
129S27.3Very low31.4Very low119 Ų119130.2 Ų130.283%0.83283%0.829SS**  165158.1107.951.20000113
130E28.6Very low31.2Very low193 Ų193131.7 Ų131.790%0.90283%0.825SS**  trans-101.5151171.8-54.6162.5111.600109.9
131A30.5Very low31.3Very low108 Ų108136.1 Ų136.189%0.89382%0.824SS**  trans179.3157.9140.900000111.8
132A32.6Very low31.4Very low106 Ų106137.6 Ų137.688%0.87682%0.819SS**  trans-101.7156173.300000112
133G27.6Very low31.5Very low73 Ų73136.1 Ų136.175%0.75382%0.815SS**  trans-17085.2-178.600000116.4
134H30Very low31.6Very low169 Ų169136.5 Ų136.578%0.78281%0.811SS**  trans21.8126.4150.7-75.9-94.4000123.2
135L32.8Very low31.7Very low150 Ų150137.1 Ų137.179%0.78581%0.809SS**  trans61.1128.9130.4-58.9171.5000121.5
136L28.3Very low30.9Very low168 Ų168135.9 Ų135.988%0.8880%0.803SS**  -169.3145.7128.2-105.9165.6000112.3
137F35.1Very low31.1Very low201 Ų201135 Ų13588%0.88280%0.799SS**  trans-153.7140.7170.5-108.1-66.1000108.1
138P44.9Very low31.3Very low122 Ų122135.7 Ų135.779%0.79280%0.797SS**  trans-150.7154138.736.6-20.1000116.5
139G28.1Very low31.4Very low72 Ų72131.9 Ų131.974%0.74279%0.792SS**  trans78.5120.1159.300000116.3
140L29.2Very low31.7Very low162 Ų162130.6 Ų130.685%0.84878%0.782SS**  cis76.3110.535.6-64.6173.3000117.1
141H27.7Very low31.8Very low174 Ų174128.7 Ų128.781%0.80678%0.779SS**  -140162.8122.3-161.263.6000109.8
142E32.5Very low31.9Very low137 Ų137130 Ų13064%0.6478%0.775SS**  trans-147.9149.9-157.7-178.3-171.3139.400111
143Q32.1Very low31.9Very low182 Ų182130.7 Ų130.785%0.8577%0.768SS**  trans-153.9139.1150.2-118.5155.374.800112.1
144A30.8Very low32Very low86 Ų86133.9 Ų133.971%0.71177%0.768SS**  trans-89.9-167.2-172.800000111.6
145A29.8Very low31.9Very low88 Ų88130.8 Ų130.873%0.72777%0.765SS**  cis-169175.321.300000109.4
146S35.1Very low31.9Very low83 Ų83133.1 Ų133.158%0.5877%0.772SS**  cis-175.3177-19.842.70000110.5
147H35.6Very low32.4Very low173 Ų173134.1 Ų134.180%0.80178%0.775SS**  trans78.8115.5171.7-46.3-69.5000116.3
148A30.1Very low32.1Very low93 Ų93136.5 Ų136.577%0.76978%0.778SS**  cis91.1149.235.200000113.3
149S29.8Very low31.5Very low111 Ų111138.8 Ų138.878%0.77678%0.783SS**  cis-158.4175.721.3-66.60000111.4
150S35Very low31.5Very low91 Ų91139 Ų13964%0.63679%0.785SS**  cis-177.4127.3-44.5610000112.6
151N31.1Very low31.5Very low154 Ų154140.9 Ų140.982%0.82479%0.786SS**  trans64.2160.3156.7-52.9-24.2000119.8
152V31.9Very low31.7Very low134 Ų134138 Ų13881%0.81279%0.786SS**  cis-113.2-1181.8-1540000111.9
153V32Very low31.6Very low122 Ų122134.7 Ų134.774%0.73979%0.788SS**  cis-152.9145.3-0.6-155.30000111.7
154N30Very low31.5Very low140 Ų140133.3 Ų133.375%0.74979%0.787SS**  trans25.8102.8162.2-71.6-5.1000124.1
155S28.5Very low31.6Very low103 Ų103135.3 Ų135.372%0.7279%0.79SS**  65.9132.299.3-59.60000124.9
156Q31.7Very low31.6Very low199 Ų199142 Ų14293%0.9380%0.798SS**  trans84.2128.4149.2-76.2-175.7-8.300121.4
157M38.9Very low31.3Very low189 Ų189142 Ų14293%0.93181%0.811SS**  trans-94.8156.3171.4-55.4166.3-178.200110.3
158R29.8Very low31Very low251 Ų251145.7 Ų145.795%0.94782%0.818SS**  trans-147.7143.3151.8-146.2172.9-172.9-173.61.1112.7
159L32.2Very low30.9Very low171 Ų171144.9 Ų144.990%0.89581%0.811SS**  trans-83.7152.7176.6-62.7161.2000110.7
160G27.8Very low30.9Very low76 Ų76145.8 Ų145.878%0.78481%0.808SS**  trans-164.4140.4172.200000111.6
161F28.6Very low30.8Very low201 Ų201148.3 Ų148.388%0.88281%0.809SS**  trans-128.9151.3-172.1-105.7-87.8000111.2
162S31.6Very low30.7Very low114 Ų114151.4 Ų151.480%0.79781%0.811SS**  trans60.6152.2153.1-55.30000119.9
163G31.3Very low30.6Very low67 Ų67148.9 Ų148.969%0.69181%0.812SS**  trans155.84916800000119.6
164D29.9Very low30.6Very low154 Ų154151 Ų15182%0.82481%0.814SS**  trans43.2163.5136.8-57.3-47.7000125.8
165V32.4Very low30.5Very low127 Ų127149.6 Ų149.677%0.7781%0.81SS**  trans93.7100.3156.5-166.10000119.9
166Y29.7Very low30.5Very low228 Ų228150.8 Ų150.889%0.89481%0.813SS**  trans8.6126.7140.9-65.5-91.2000121.3
167G29.6Very low30.7Very low83 Ų83146.6 Ų146.686%0.85681%0.806SS**  trans-134.8144.1150.200000109.8
168R28.1Very low30.9Very low251 Ų251143 Ų14395%0.94780%0.797SS**  trans-102.1165.6-171-166170.3176.8132.6-3.2112.3
169A28.7Very low30.8Very low77 Ų77141.8 Ų141.864%0.63679%0.792SS**  trans-45.2160.4173.400000113.6
170D29.7Very low30.8Very low130 Ų130137.6 Ų137.670%0.69578%0.777SS**  -166.8159.373.8-118.2-17.8000118.4
171Q33.3Very low30.8Very low143 Ų143140.9 Ų140.967%0.66878%0.776SS**  trans75.7123.7140.5-72.9172.652.300125.1
172Y28.3Very low31Very low219 Ų219139.5 Ų139.586%0.85977%0.772SS**  trans56.3129.1141.3-69.8-69.4000123.8
173G31Very low30.8Very low82 Ų82145.2 Ų145.285%0.84578%0.778SS**  trans-173.753.9172.200000112.7
174H31.1Very low30.8Very low166 Ų166146 Ų14677%0.76978%0.778SS**  trans-83.2146.6178.5-169.9-95.9000110.7
175V28Very low30.7Very low111 Ų111144.4 Ų144.467%0.67378%0.779SS**  159.6156116.6-152.60000109.9
176T28.7Very low30.8Very low127 Ų127145.3 Ų145.378%0.77979%0.785SS**  trans82.397.5160.261.80000119.5
177S36.3Very low31.1Very low112 Ų112143 Ų14378%0.78378%0.782SS**  trans-99.1153.5135.81660000108.4
178P42.2Very low31.2Very low113 Ų113147.3 Ų147.373%0.73479%0.785SS**  trans-126.9136.1139.47.813.5000113.9
179R29.2Very low31.4Very low225 Ų225144.1 Ų144.185%0.84978%0.781SS**  24.6116.4124.8-86.3-174.5158.295.8-0.5118.1
180S30.7Very low31.4Very low83 Ų83143.4 Ų143.458%0.5878%0.78SS**  85146.880.275.20000112.1
181D28.3Very low31.4Very low145 Ų145148.5 Ų148.578%0.77579%0.792SS**  cis-153.1-171.445.1-99.5-67.9000115.9
182H32.6Very low31.1Very low172 Ų172144.8 Ų144.880%0.79679%0.791SS**  trans-106.4143.4-167.9-61-101.3000116.1
183Y28.1Very low31.4Very low234 Ų234140.7 Ų140.792%0.91879%0.791SS**  trans-171.8153.7132.9-122.9-126.5000108.2
184A30.2Very low31.6Very low83 Ų83145.1 Ų145.169%0.68679%0.792SS**  cis-142.5169.12.800000110.9
185S28.6Very low31.7Very low121 Ų121144.6 Ų144.685%0.84680%0.795SS**  trans-99.8136.9-176.3-56.50000113.9
186T33.4Very low32.3Very low146 Ų146148.1 Ų148.190%0.89681%0.806SS**  trans-131.3134.2151.944.10000109.8
187Q37.3Very low32.6Very low179 Ų179148 Ų14884%0.83680%0.801SS**  trans-83.4143.7-175.5-61.2171.2-7.200111.7
188L32.4Very low32.7Very low175 Ų175151.9 Ų151.992%0.91681%0.809SS**  trans-159.5148.2144.4-107.9170.3000109.6
189H32.2Very low32.8Very low184 Ų184150.5 Ų150.585%0.85281%0.808SS**  trans-92.5148-172.7-74.1-111.7000112.9
190G28.4Very low33.3Very low61 Ų61143.4 Ų143.463%0.62980%0.797SS**  trans150.4105.2154.600000116.9
191Y28.5Very low33.5Very low238 Ų238147.8 Ų147.893%0.93381%0.808SS**  trans45.692.7153.2-57.3-80.3000119.1
192G27.9Very low34Very low64 Ų64147.7 Ų147.766%0.6680%0.803SS**PPolyproline II helixtrans-70.9154.4160.100000112.9
193P35.1Very low34.3Very low133 Ų133142.2 Ų142.286%0.86479%0.792SS**PPolyproline II helixtrans-73.2130.3-17529.2-34.8000112.7N195P193-N195 PolarHBondContact O-N 3.26Å
194M34.1Very low35Very low176 Ų176135.2 Ų135.287%0.86778%0.783SS**PPolyproline II helixtrans-74.5120.8172.6-72.7-71.4-178.200110.5M196M194-M196 PolarHBondContact O-N 2.83Å; M194-M196 VanDerWaalsContact O-N 3.15Å
195N33.2Very low35.3Very low154 Ų154133.4 Ų133.482%0.82477%0.773SS**  trans-64.3109.9-177.4-176.2-2.8000112.1P193 N197P193-N195 PolarHBondContact O-N 3.26Å; N195-N197 PolarHBondContact O-N 2.93Å
196M40.5Very low36.1Very low185 Ų185128.8 Ų128.891%0.91174%0.741SS**  trans-89.780.8178-78.9-74.8-172.700111.5M194M194-M196 PolarHBondContact O-N 2.83Å; M194-M196 VanDerWaalsContact O-N 3.15Å
197N35.7Very low36.5Very low124 Ų124127 Ų12766%0.66372%0.722SS**  trans-145.677.6167.6-1611.6000114.1N195N195-N197 PolarHBondContact O-N 2.93Å
198M38.3Very low36.8Very low194 Ų194124.8 Ų124.896%0.95671%0.709SS**  trans-137.860166.3-89167-167.300110.2
199A44Very low37.4Very low85 Ų85124.5 Ų124.570%0.70270%0.696SS**  trans-88.4154.8165.700000110.8
200A38.9Very low37.9Very low76 Ų76119.8 Ų119.863%0.62867%0.671SS**SBendtrans69.4157.4-178.100000117.6
201H35.3Very low38.5Very low174 Ų174120.8 Ų120.881%0.80666%0.661SS**  trans63.751.1171.2-49.7-71.1000118.7
202H40.1Very low39.2Very low144 Ų144119.7 Ų119.767%0.66766%0.655SS**  trans-117.469.7165.6-80.47.4000113.3A206H202-A206 HydrophobicContact CB-CB 3.66Å
203G38.4Very low39.8Very low56 Ų56122.1 Ų122.158%0.57765%0.649SS**SBendtrans-72.2-172.7158.600000112.3G205 A206G203-G205 PolarHBondContact O-N 2.67Å; G203-A206 WeakPolarHBondContact O-CB 3.43Å; G203-A206 PolarHBondContact O-N 3.24Å
204A41.3Very low40.1Very low88 Ų88120.8 Ų120.873%0.72764%0.641SS**THydrogen-bonded Turntrans-52.7-26.2-169.400000116.2A206 F207A204-A206 PolarHBondContact O-N 2.95Å; A204-F207 PolarHBondContact O-N 2.94Å
205G36.6Very low40.9Very low45 Ų45115.6 Ų115.646%0.46462%0.616SS.*Hα-helixtrans-62.2-20.8173.700000115G203 F207 F208 R209G203-G205 PolarHBondContact O-N 2.67Å; G205-F207 VanDerWaalsContact C-N 3.31Å; G205-F207 PolarHBondContact O-N 2.92Å; G205-F208 PolarHBondContact O-N 2.91Å; G205-R209 PolarHBondContact O-N 3.38Å
206A46.8Very low41.4Very low23 Ų23118.5 Ų118.519%0.1962%0.621CS.*Hα-helixtrans-62.7-36.2177.800000112.6H202 G203 A204 F208 R209 Y210H202-A206 HydrophobicContact CB-CB 3.66Å; G203-A206 WeakPolarHBondContact O-CB 3.43Å; G203-A206 PolarHBondContact O-N 3.24Å; A204-A206 PolarHBondContact O-N 2.95Å; A206-F208 VanDerWaalsContact C-N 3.33Å; A206-F208 PolarHBondContact O-N 3.24Å; A206-R209 PolarHBondContact O-N 3.45Å; A206-Y210 PolarHBondContact O-N 3.25Å
207F42.4Very low41.7Very low110 Ų110115.7 Ų115.748%0.48261%0.605SS.*Hα-helixtrans-60.6-42.6174.8176.2-102.4000111.7A204 G205 Y210 M211A204-F207 PolarHBondContact O-N 2.94Å; G205-F207 VanDerWaalsContact C-N 3.31Å; G205-F207 PolarHBondContact O-N 2.92Å; F207-Y210 PolarHBondContact O-N 2.59Å; F207-M211 HydrophobicContact CD1-CG 4.42Å; F207-M211 HydrophobicContact CE1-CG 4.03Å; F207-M211 HydrophobicContact CE2-CG 4.22Å; F207-M211 HydrophobicContact CZ-CG 3.92Å; F207-M211 HydrophobicContact CZ-SD 4.27Å; F207-M211 WeakPolarHBondContact O-CB 3.31Å; F207-M211 VanDerWaalsContact O-CG 3.31Å; F207-M211 WeakPolarHBondContact O-CG 3.34Å; F207-M211 PolarHBondContact O-N 3.26Å
208F42.7Very low42.5Very low132 Ų132116.9 Ų116.958%0.57961%0.607SS**Hα-helixtrans-72-30.8177.2-66.6-78.5000113G205 A206 R212G205-F208 PolarHBondContact O-N 2.91Å; A206-F208 VanDerWaalsContact C-N 3.33Å; A206-F208 PolarHBondContact O-N 3.24Å; F208-R212 VanDerWaalsContact O-CB 3.3Å; F208-R212 WeakPolarHBondContact O-CB 3.48Å; F208-R212 WeakPolarHBondContact O-CG 3.49Å; F208-R212 PolarHBondContact O-N 3.36Å
209R44.5Very low43.5Very low168 Ų168107.9 Ų107.963%0.63456%0.563SS**Hα-helixtrans-65.6-41.9170.3-72.5-178.5-178.6165.7-0.7111.5G205 A206 R212 Q213G205-R209 PolarHBondContact O-N 3.38Å; A206-R209 PolarHBondContact O-N 3.45Å; R209-R212 CarbonylContact O-C 3.49Å; R209-R212 PolarHBondContact O-N 3.01Å; R209-Q213 WeakPolarHBondContact O-CG 3.25Å; R209-Q213 PolarHBondContact O-N 3.02Å
210Y42.5Very low44.1Very low85 Ų85107.4 Ų107.433%0.33355%0.548SS..Hα-helixtrans-66.6-39.2175.6-177.1-101.5000112.3A206 F207 R212 K294 P295A206-Y210 PolarHBondContact O-N 3.25Å; F207-Y210 PolarHBondContact O-N 2.59Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 2.87Å; Y210-K294 PolarHBondContact OH-O 2.79Å; Y210-P295 HydrophobicContact CE1-CB 4.2Å; Y210-P295 WeakPolarHBondContact CE1-O 3.3Å
211M42.1Very low45.2Very low83 Ų83104 Ų10441%0.40952%0.519SS..Hα-helixtrans-72.7-12.6173.5-69.3-73.5-61.900114.6F207F207-M211 HydrophobicContact CD1-CG 4.42Å; F207-M211 HydrophobicContact CE1-CG 4.03Å; F207-M211 HydrophobicContact CE2-CG 4.22Å; F207-M211 HydrophobicContact CZ-CG 3.92Å; F207-M211 HydrophobicContact CZ-SD 4.27Å; F207-M211 WeakPolarHBondContact O-CB 3.31Å; F207-M211 VanDerWaalsContact O-CG 3.31Å; F207-M211 WeakPolarHBondContact O-CG 3.34Å; F207-M211 PolarHBondContact O-N 3.26Å
212R43.1Very low46.2Very low215 Ų21599 Ų9981%0.81150%0.495SS*.Hα-helixtrans-112.8-1.9175.2-77.9-167.8175.6-165.50.6113.8F208 R209 Y210F208-R212 VanDerWaalsContact O-CB 3.3Å; F208-R212 WeakPolarHBondContact O-CB 3.48Å; F208-R212 WeakPolarHBondContact O-CG 3.49Å; F208-R212 PolarHBondContact O-N 3.36Å; R209-R212 CarbonylContact O-C 3.49Å; R209-R212 PolarHBondContact O-N 3.01Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 2.87Å
213Q39.9Very low47.1Very low114 Ų11492.6 Ų92.653%0.53347%0.465SS..SBendtrans-68128.2170.5-92169.5-14.300106.9R209 I215R209-Q213 WeakPolarHBondContact O-CG 3.25Å; R209-Q213 PolarHBondContact O-N 3.02Å; Q213-I215 PolarHBondContact O-N 3.39Å
214P42.2Very low48.2Very low106 Ų10693 Ų9369%0.68845%0.453SS*.  trans-62.1109.1172.625.7-32.4000107.4K216P214-K216 PolarHBondContact O-N 2.85Å
215I50Low48.9Very low67 Ų6791.4 Ų91.434%0.34443%0.431SS..  trans-62.7125.4175.7-62.3174.7000105.4Q213 Q217 E293Q213-I215 PolarHBondContact O-N 3.39Å; I215-Q217 HydrophobicContact CG2-CB 4.33Å; I215-Q217 PolarHBondContact O-N 3.05Å; I215-E293 HydrophobicContact CD1-CG 4.42Å; I215-E293 VanDerWaalsContact CD1-OE1 3.25Å; I215-E293 WeakPolarHBondContact CD1-OE1 3.33Å
216K44.2Very low49.7Very low214 Ų21493.7 Ų93.793%0.9344%0.438SS*.SBendtrans-73.630.4-173.7-63.9-170.5176.4-1730113.6P214P214-K216 PolarHBondContact O-N 2.85Å
217Q47.3Very low49.8Very low126 Ų126100 Ų10059%0.58946%0.463SS*.SBendtrans-139.6111.7177.2-59.9-177.6-83.100105.3I215 L219I215-Q217 HydrophobicContact CG2-CB 4.33Å; I215-Q217 PolarHBondContact O-N 3.05Å; Q217-L219 PolarHBondContact O-N 3.03Å
218E51.6Low50.2Low149 Ų14996.5 Ų96.570%0.69645%0.448SS*.  trans-62.1124.2179-62.2-178.9174.400109I220 T239E218-I220 VanDerWaalsContact C-N 3.25Å; E218-I220 PolarHBondContact O-N 3.48Å; E218-T239 HydrophobicContact CB-CG2 3.99Å
219L58.8Low50.5Low6 Ų698.4 Ų98.43%0.03146%0.463CS..EExtended strand (participates in β ladder)trans-80.680-176.5-65.9170.3000109.1Q217 C221 F240 M243 L246 T291 E293Q217-L219 PolarHBondContact O-N 3.03Å; L219-C221 PolarHBondContact O-N 3.25Å; L219-F240 HydrophobicContact CB-CB 4.16Å; L219-F240 WeakPolarHBondContact CB-O 3.22Å; L219-F240 PolarHBondContact N-O 2.88Å; L219-F240 PolarHBondContact O-N 2.87Å; L219-M243 HydrophobicContact CD1-CB 4.36Å; L219-M243 HydrophobicContact CD1-CE 4.45Å; L219-M243 VanDerWaalsContact CD1-N 3.3Å; L219-M243 HydrophobicContact CD2-CE 4.29Å; L219-L246 HydrophobicContact CB-CD2 4.31Å; L219-T291 HydrophobicContact CD2-CG2 4.03Å; L219-E293 WeakPolarHBondContact CD1-OE1 3.36Å; L219-E293 HydrophobicContact CD2-CG 4.43Å
220I56.9Low50.6Low74 Ų7496.7 Ų96.738%0.37947%0.472SS..EExtended strand (participates in β ladder)trans-65.1115.2176.3-59.3160.2000108.4E218 K222 T239 W267E218-I220 VanDerWaalsContact C-N 3.25Å; E218-I220 PolarHBondContact O-N 3.48Å; I220-K222 HydrophobicContact CG2-CG 3.96Å; I220-T239 HydrophobicContact CG1-CG2 3.67Å; I220-W267 WeakPolarHBondContact O-CH2 3.47Å; I220-W267 WeakPolarHBondContact O-CZ3 3.39Å
221C62.6Low50.5Low4 Ų496.6 Ų96.63%0.02748%0.477CS..  trans-66.6132.2156.9-168.40000107.8L219 C236 N237 K238 F240 L246 H249L219-C221 PolarHBondContact O-N 3.25Å; C221-C236 CarbonylContact C-O 3.59Å; C221-N237 WeakPolarHBondContact O-CA 3.34Å; C221-K238 WeakPolarHBondContact CB-O 3.49Å; C221-K238 PolarHBondContact N-O 3.11Å; C221-F240 HydrophobicContact CB-CE2 4Å; C221-L246 HydrophobicContact CB-CD1 3.78Å; C221-H249 PolarHBondContact SG-NE2 3.24Å; C221-H249 VanDerWaalsContact SG-NE2 3.36Å
222K56.9Low50.6Low69 Ų6998.7 Ų98.730%0.350%0.497SS..  trans-125.580.6167.3-77.8-170.3157.2-149.80107.6I220 C236 F266 W267 E268I220-K222 HydrophobicContact CG2-CG 3.96Å; K222-C236 WeakPolarHBondContact CA-O 3.38Å; K222-F266 VanDerWaalsContact O-O 3.12Å; K222-W267 HydrophobicContact CB-CD2 4.06Å; K222-W267 HydrophobicContact CB-CE3 3.9Å; K222-W267 HydrophobicContact CB-CH2 4.19Å; K222-W267 HydrophobicContact CB-CZ2 4.33Å; K222-W267 HydrophobicContact CB-CZ3 3.98Å; K222-W267 HydrophobicContact CD-CH2 4.39Å; K222-W267 HydrophobicContact CD-CZ2 3.94Å; K222-W267 HydrophobicContact CG-CH2 4.27Å; K222-W267 HydrophobicContact CG-CZ2 4.31Å; K222-E268 IonicContact NZ-OE2 2.7Å; K222-E268 PolarHBondContact NZ-OE2 2.92Å
223W58.5Low50.6Low11 Ų1196.9 Ų96.94%0.04250%0.495CS..EExtended strand (participates in β ladder)trans-115.2129.8-177.7-177.8-79.4000111.3S235 C236 L250 H254 V255 V264 F266W223-S235 CarbonylContact O-C 3.32Å; W223-S235 VanDerWaalsContact O-CA 3.28Å; W223-S235 WeakPolarHBondContact O-CA 3.25Å; W223-C236 HydrophobicContact CB-CB 4.33Å; W223-C236 PolarHBondContact N-O 3.06Å; W223-C236 PolarHBondContact O-N 2.85Å; W223-L250 HydrophobicContact CD2-CD1 4.11Å; W223-L250 HydrophobicContact CE3-CD1 3.35Å; W223-L250 HydrophobicContact CH2-CD1 4.41Å; W223-L250 HydrophobicContact CZ3-CD1 3.53Å; W223-L250 HydrophobicContact CZ3-CG 4.27Å; W223-H254 AromaticContact CD1-CD2 3.71Å; W223-H254 AromaticContact CD1-CG 3.54Å; W223-H254 AromaticContact CD1-ND1 3.59Å; W223-H254 HydrophobicContact CD2-CB 3.83Å; W223-H254 AromaticContact CD2-CD2 3.96Å; W223-H254 AromaticContact CD2-CG 3.9Å; W223-H254 VanDerWaalsContact CE2-CB 3.5Å; W223-H254 AromaticContact CE2-CG 3.85Å; W223-H254 HydrophobicContact CE3-CB 4.38Å; W223-H254 HydrophobicContact CG-CB 4.17Å; W223-H254 AromaticContact CG-CD2 3.49Å; W223-H254 VanDerWaalsContact CG-CD2 3.49Å; W223-H254 AromaticContact CG-CG 3.69Å; W223-H254 HydrophobicContact CH2-CB 4.17Å; W223-H254 HydrophobicContact CZ2-CB 3.68Å; W223-H254 VanDerWaalsContact CZ2-O 3.24Å; W223-H254 WeakPolarHBondContact CZ2-O 3.46Å; W223-H254 AromaticContact NE1-CG 3.68Å; W223-H254 AromaticContact NE1-ND1 3.81Å; W223-V255 HydrophobicContact CH2-CG2 4.26Å; W223-V264 WeakPolarHBondContact CH2-O 3.36Å; W223-V264 WeakPolarHBondContact CZ3-O 3.48Å; W223-F266 HydrophobicContact CD2-CB 4.12Å; W223-F266 HydrophobicContact CD2-CD2 4.02Å; W223-F266 HydrophobicContact CD2-CG 4.49Å; W223-F266 AromaticContact CE2-CD2 3.5Å; W223-F266 VanDerWaalsContact CE2-CD2 3.5Å; W223-F266 HydrophobicContact CE3-CB 4.29Å; W223-F266 HydrophobicContact CE3-CD2 4.08Å; W223-F266 AromaticContact CH2-CD2 3.36Å; W223-F266 HydrophobicContact CH2-CD2 3.36Å; W223-F266 AromaticContact CH2-CE2 3.66Å; W223-F266 HydrophobicContact CH2-CE2 3.66Å; W223-F266 AromaticContact CZ2-CD2 3.17Å; W223-F266 HydrophobicContact CZ2-CD2 3.17Å; W223-F266 AromaticContact CZ2-CE2 3.36Å; W223-F266 HydrophobicContact CZ2-CE2 3.36Å; W223-F266 HydrophobicContact CZ2-CG 4.24Å; W223-F266 AromaticContact CZ3-CD2 3.78Å; W223-F266 HydrophobicContact CZ3-CD2 3.78Å; W223-F266 HydrophobicContact CZ3-CE2 4.49Å
224I60.8Low51Low65 Ų6596.8 Ų96.833%0.33349%0.493SS..EExtended strand (participates in β ladder)trans-97129.9175.7-61.7172.9000109.7Q228 F266 E268I224-Q228 HydrophobicContact CG2-CB 4.39Å; I224-F266 PolarHBondContact N-O 3.26Å; I224-E268 HydrophobicContact CD1-CG 3.93Å
225E55.8Low51.6Low54 Ų5494 Ų9425%0.25248%0.476SS..  trans-67.7137.4175.2-74.2176.2177.500111.8E227 Q228 K234E225-E227 PolarHBondContact O-N 3.36Å; E225-E227 VanDerWaalsContact O-N 3.08Å; E225-Q228 HydrophobicContact CB-CG 3.82Å; E225-Q228 PolarHBondContact O-N 3.16Å; E225-Q228 VanDerWaalsContact O-N 3.09Å; E225-Q228 PolarHBondContact OE2-NE2 3.15Å; E225-K234 WeakPolarHBondContact OE2-CD 3.47Å; E225-K234 IonicContact OE2-NZ 3.65Å
226P53.6Low52.2Low93 Ų9391.4 Ų91.460%0.60446%0.464SS*.G310 helixtrans-58.6-24.6-176.4-27.135.3000115.8Q228 F266P226-Q228 VanDerWaalsContact C-N 3.26Å; P226-Q228 PolarHBondContact O-N 3.34Å; P226-F266 HydrophobicContact CG-CE1 4.27Å; P226-F266 HydrophobicContact CG-CZ 4.06Å
227E50Low53Low156 Ų15685.7 Ų85.773%0.72944%0.443SS*.G310 helixtrans-73.9-13.9179.9-60.5-174.8155.500113.5E225 L229E225-E227 PolarHBondContact O-N 3.36Å; E225-E227 VanDerWaalsContact O-N 3.08Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 2.66Å
228Q49.2Very low53.9Low35 Ų3584.2 Ų84.216%0.16444%0.435CS..G310 helixtrans-8818.7-165.9-54.4-56.6-30.200114.9I224 E225 P226 T230 N231 K234I224-Q228 HydrophobicContact CG2-CB 4.39Å; E225-Q228 HydrophobicContact CB-CG 3.82Å; E225-Q228 PolarHBondContact O-N 3.16Å; E225-Q228 VanDerWaalsContact O-N 3.09Å; E225-Q228 PolarHBondContact OE2-NE2 3.15Å; P226-Q228 VanDerWaalsContact C-N 3.26Å; P226-Q228 PolarHBondContact O-N 3.34Å; Q228-T230 PolarHBondContact O-N 3.31Å; Q228-N231 PolarHBondContact O-N 2.85Å; Q228-N231 PolarHBondContact OE1-O 3.1Å; Q228-K234 HydrophobicContact CG-CB 4.18Å
229L49.4Very low54.2Low172 Ų17280.8 Ų80.890%0.90142%0.424SS*.THydrogen-bonded Turntrans-63.7-4.8176.7-136.178.2000113.8E227E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 2.66Å
230T47.4Very low54.5Low133 Ų13382.3 Ų82.382%0.81643%0.431SS*.THydrogen-bonded Turntrans-118.5-9.8178.455.90000114.6Q228Q228-T230 PolarHBondContact O-N 3.31Å
231N40Very low54.7Low82 Ų8282.1 Ų82.144%0.43944%0.436SS..  trans-158.8106.8179.8-153.2-30.2000113.5Q228 K233Q228-N231 PolarHBondContact O-N 2.85Å; Q228-N231 PolarHBondContact OE1-O 3.1Å; N231-K233 VanDerWaalsContact C-N 3.32Å; N231-K233 PolarHBondContact O-N 2.74Å
232P43.6Very low54.9Low128 Ų12883 Ų8383%0.83144%0.442SS*.  trans-80.470.1-17333.5-36.6000112.6
233K42.9Very low55.2Low177 Ų17780.5 Ų80.577%0.7743%0.431SS*.  trans-132.54.4-178.9-69.8-169.1177.9-176.60116.4N231N231-K233 VanDerWaalsContact C-N 3.32Å; N231-K233 PolarHBondContact O-N 2.74Å
234K50.2Low55.6Low111 Ų11184.3 Ų84.348%0.48345%0.449SS..  trans-129.476.3170.8-65.1-172.9-169.7175.80111.7E225 Q228E225-K234 WeakPolarHBondContact OE2-CD 3.47Å; E225-K234 IonicContact OE2-NZ 3.65Å; Q228-K234 HydrophobicContact CG-CB 4.18Å
235S54.8Low56Low47 Ų4784.2 Ų84.233%0.32945%0.447SS..EExtended strand (participates in β ladder)trans-91.8132.3154.848.60000109.2W223 N237W223-S235 CarbonylContact O-C 3.32Å; W223-S235 VanDerWaalsContact O-CA 3.28Å; W223-S235 WeakPolarHBondContact O-CA 3.25Å; S235-N237 PolarHBondContact O-N 3.28Å; S235-N237 PolarHBondContact O-ND2 3.25Å; S235-N237 PolarHBondContact OG-ND2 3.03Å
236C62.4Low56.8Low14 Ų1481.9 Ų81.910%0.09544%0.436CS..EExtended strand (participates in β ladder)trans-71.6117.9166.6-177.20000107.8C221 K222 W223 H249 H254C221-C236 CarbonylContact C-O 3.59Å; K222-C236 WeakPolarHBondContact CA-O 3.38Å; W223-C236 HydrophobicContact CB-CB 4.33Å; W223-C236 PolarHBondContact N-O 3.06Å; W223-C236 PolarHBondContact O-N 2.85Å; C236-H249 PolarHBondContact SG-CE1 2.73Å; C236-H249 PolarHBondContact SG-NE2 2.83Å; C236-H254 WeakPolarHBondContact CB-NE2 3.41Å
237N60.9Low57.5Low94 Ų9478.4 Ų78.450%0.50341%0.414SS..  trans-115.231-179.9-66.9-79.2000111.7C221 S235 T239C221-N237 WeakPolarHBondContact O-CA 3.34Å; S235-N237 PolarHBondContact O-N 3.28Å; S235-N237 PolarHBondContact O-ND2 3.25Å; S235-N237 PolarHBondContact OG-ND2 3.03Å; N237-T239 PolarHBondContact O-N 3.19Å
238K64.7Low58.4Low94 Ų9473.7 Ų73.741%0.40940%0.396SS..  trans-70.7127.6-179.6-67.3177.7-171.1-178.10110C221 F240 E253C221-K238 WeakPolarHBondContact CB-O 3.49Å; C221-K238 PolarHBondContact N-O 3.11Å; K238-F240 HydrophobicContact CB-CE1 4.47Å; K238-F240 HydrophobicContact CB-CE2 3.56Å; K238-F240 HydrophobicContact CB-CZ 3.5Å; K238-F240 HydrophobicContact CD-CZ 4.14Å; K238-F240 HydrophobicContact CG-CZ 4.45Å; K238-F240 WeakPolarHBondContact O-CD2 3.31Å; K238-F240 VanDerWaalsContact O-CE2 3.28Å; K238-F240 WeakPolarHBondContact O-CE2 3.44Å; K238-E253 IonicContact NZ-OE1 3.34Å; K238-E253 PolarHBondContact NZ-OE1 3.44Å; K238-E253 IonicContact NZ-OE2 2.66Å; K238-E253 PolarHBondContact NZ-OE2 3.08Å
239T58Low59.5Low78 Ų7872.7 Ų72.748%0.47939%0.391SS..EExtended strand (participates in β ladder)trans-85.7145.3170.943.20000111.1E218 I220 N237E218-T239 HydrophobicContact CB-CG2 3.99Å; I220-T239 HydrophobicContact CG1-CG2 3.67Å; N237-T239 PolarHBondContact O-N 3.19Å
240F66.3Low60.4Low37 Ų3764.8 Ų64.816%0.16235%0.35CS..EExtended strand (participates in β ladder)trans-130.6149.7178.9-62.8-73.6000111.7L219 C221 K238 E245 L246 H249L219-F240 HydrophobicContact CB-CB 4.16Å; L219-F240 WeakPolarHBondContact CB-O 3.22Å; L219-F240 PolarHBondContact N-O 2.88Å; L219-F240 PolarHBondContact O-N 2.87Å; C221-F240 HydrophobicContact CB-CE2 4Å; K238-F240 HydrophobicContact CB-CE1 4.47Å; K238-F240 HydrophobicContact CB-CE2 3.56Å; K238-F240 HydrophobicContact CB-CZ 3.5Å; K238-F240 HydrophobicContact CD-CZ 4.14Å; K238-F240 HydrophobicContact CG-CZ 4.45Å; K238-F240 WeakPolarHBondContact O-CD2 3.31Å; K238-F240 VanDerWaalsContact O-CE2 3.28Å; K238-F240 WeakPolarHBondContact O-CE2 3.44Å; F240-E245 HydrophobicContact CB-CB 3.98Å; F240-E245 HydrophobicContact CD1-CB 3.61Å; F240-E245 HydrophobicContact CG-CB 4.08Å; F240-L246 HydrophobicContact CB-CB 4.13Å; F240-L246 HydrophobicContact CD2-CB 4.01Å; F240-L246 HydrophobicContact CD2-CD1 3.68Å; F240-L246 HydrophobicContact CD2-CG 4.47Å; F240-L246 HydrophobicContact CE2-CD1 4.08Å; F240-L246 HydrophobicContact CG-CB 4.2Å; F240-H249 HydrophobicContact CE1-CB 3.86Å; F240-H249 HydrophobicContact CE2-CB 4.05Å; F240-H249 AromaticContact CE2-CD2 3.23Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.18Å; F240-H249 AromaticContact CE2-CG 3.72Å; F240-H249 AromaticContact CE2-NE2 3.99Å; F240-H249 HydrophobicContact CZ-CB 3.43Å; F240-H249 VanDerWaalsContact CZ-CB 3.43Å; F240-H249 AromaticContact CZ-CD2 3.31Å; F240-H249 WeakPolarHBondContact CZ-CD2 3.41Å; F240-H249 AromaticContact CZ-CG 3.27Å
241S60.4Low61.2Low70 Ų7059.6 Ų59.649%0.4932%0.318SS..SBendtrans-91.2-24.1-178.375.70000112.7E245S241-E245 WeakPolarHBondContact CA-OE2 3.45Å; S241-E245 WeakPolarHBondContact CB-OE2 3.41Å; S241-E245 PolarHBondContact N-OE2 3.4Å; S241-E245 VanDerWaalsContact OG-CD 3.32Å; S241-E245 PolarHBondContact OG-OE1 3.38Å; S241-E245 PolarHBondContact OG-OE2 2.83Å
242T66.5Low62.4Low24 Ų2460.6 Ų60.615%0.14733%0.327CS..SBendtrans-132151.6173.1760000113.2H244 E245 L246T242-H244 PolarHBondContact O-N 3.49Å; T242-H244 VanDerWaalsContact O-N 3.16Å; T242-H244 PolarHBondContact OG1-N 3.24Å; T242-E245 WeakPolarHBondContact CB-OE1 3.33Å; T242-E245 VanDerWaalsContact CG2-OE1 3.25Å; T242-E245 WeakPolarHBondContact CG2-OE1 3.37Å; T242-E245 PolarHBondContact N-OE2 3.09Å; T242-E245 WeakPolarHBondContact O-CB 3.47Å; T242-E245 PolarHBondContact O-N 3.16Å; T242-E245 VanDerWaalsContact O-N 3.11Å; T242-E245 PolarHBondContact OG1-N 3.31Å; T242-E245 PolarHBondContact OG1-OE1 2.68Å; T242-L246 PolarHBondContact O-N 2.95Å; T242-L246 VanDerWaalsContact O-N 3.15Å
243M63.9Low63.3Low16 Ų1659.2 Ų59.28%0.07931%0.309CS..Hα-helixtrans-59.5-20.6169.8-177.453.158.900112.9L219 L246 V247 T291 E293L219-M243 HydrophobicContact CD1-CB 4.36Å; L219-M243 HydrophobicContact CD1-CE 4.45Å; L219-M243 VanDerWaalsContact CD1-N 3.3Å; L219-M243 HydrophobicContact CD2-CE 4.29Å; M243-L246 HydrophobicContact CE-CD2 3.96Å; M243-L246 HydrophobicContact SD-CD2 4.17Å; M243-V247 HydrophobicContact CG-CG2 4.33Å; M243-V247 VanDerWaalsContact O-CB 3.31Å; M243-V247 WeakPolarHBondContact O-CB 3.28Å; M243-V247 WeakPolarHBondContact O-CG2 3.43Å; M243-V247 PolarHBondContact O-N 2.95Å; M243-V247 VanDerWaalsContact O-N 3.16Å; M243-V247 HydrophobicContact SD-CG2 3.69Å; M243-T291 HydrophobicContact CE-CG2 4.33Å; M243-E293 WeakPolarHBondContact CB-OE1 3.24Å; M243-E293 WeakPolarHBondContact CB-OE2 3.43Å; M243-E293 HydrophobicContact CE-CB 4.42Å; M243-E293 HydrophobicContact CE-CG 4.14Å; M243-E293 WeakPolarHBondContact CE-OE1 3.49Å; M243-E293 WeakPolarHBondContact CE-OE2 3.19Å; M243-E293 WeakPolarHBondContact CG-OE2 3.32Å
244H67.8Low64.2Low91 Ų9152.9 Ų52.942%0.42128%0.282SS..Hα-helixtrans-69.5-49.6172.3-17560000110.7T242 V247 T248T242-H244 PolarHBondContact O-N 3.49Å; T242-H244 VanDerWaalsContact O-N 3.16Å; T242-H244 PolarHBondContact OG1-N 3.24Å; H244-V247 PolarHBondContact O-N 2.89Å; H244-T248 WeakPolarHBondContact O-CG2 3.32Å; H244-T248 PolarHBondContact O-N 3.33Å; H244-T248 PolarHBondContact O-OG1 3.02Å; H244-T248 VanDerWaalsContact O-OG1 3.1Å
245E69.1Low64.7Low62 Ų6249.4 Ų49.429%0.2927%0.27SS..Hα-helixtrans-56.1-53.7175.9-70.6132.6-12600111.2F240 S241 T242 V247 T248 H249F240-E245 HydrophobicContact CB-CB 3.98Å; F240-E245 HydrophobicContact CD1-CB 3.61Å; F240-E245 HydrophobicContact CG-CB 4.08Å; S241-E245 WeakPolarHBondContact CA-OE2 3.45Å; S241-E245 WeakPolarHBondContact CB-OE2 3.41Å; S241-E245 PolarHBondContact N-OE2 3.4Å; S241-E245 VanDerWaalsContact OG-CD 3.32Å; S241-E245 PolarHBondContact OG-OE1 3.38Å; S241-E245 PolarHBondContact OG-OE2 2.83Å; T242-E245 WeakPolarHBondContact CB-OE1 3.33Å; T242-E245 VanDerWaalsContact CG2-OE1 3.25Å; T242-E245 WeakPolarHBondContact CG2-OE1 3.37Å; T242-E245 PolarHBondContact N-OE2 3.09Å; T242-E245 WeakPolarHBondContact O-CB 3.47Å; T242-E245 PolarHBondContact O-N 3.16Å; T242-E245 VanDerWaalsContact O-N 3.11Å; T242-E245 PolarHBondContact OG1-N 3.31Å; T242-E245 PolarHBondContact OG1-OE1 2.68Å; E245-V247 VanDerWaalsContact C-N 3.31Å; E245-V247 PolarHBondContact O-N 3.36Å; E245-T248 WeakPolarHBondContact CA-OG1 3.43Å; E245-T248 PolarHBondContact O-N 3.38Å; E245-T248 PolarHBondContact O-OG1 3.4Å; E245-H249 PolarHBondContact O-N 3.12Å
246L70.9Confident64.3Low5 Ų550.4 Ų50.43%0.02629%0.287CS..Hα-helixtrans-53.6-46.9178.9176.266.6000111.7L219 C221 F240 T242 M243 L250 I287 T291L219-L246 HydrophobicContact CB-CD2 4.31Å; C221-L246 HydrophobicContact CB-CD1 3.78Å; F240-L246 HydrophobicContact CB-CB 4.13Å; F240-L246 HydrophobicContact CD2-CB 4.01Å; F240-L246 HydrophobicContact CD2-CD1 3.68Å; F240-L246 HydrophobicContact CD2-CG 4.47Å; F240-L246 HydrophobicContact CE2-CD1 4.08Å; F240-L246 HydrophobicContact CG-CB 4.2Å; T242-L246 PolarHBondContact O-N 2.95Å; T242-L246 VanDerWaalsContact O-N 3.15Å; M243-L246 HydrophobicContact CE-CD2 3.96Å; M243-L246 HydrophobicContact SD-CD2 4.17Å; L246-L250 WeakPolarHBondContact O-CB 3.37Å; L246-L250 PolarHBondContact O-N 3.11Å; L246-I287 HydrophobicContact CD2-CG2 4.11Å; L246-T291 HydrophobicContact CD2-CG2 4.09Å
247V68.2Low63.6Low21 Ų2151.9 Ų51.913%0.12731%0.305CS..Hα-helixtrans-69.9-34.2179.5171.50000112.1M243 H244 E245 T251 V284M243-V247 HydrophobicContact CG-CG2 4.33Å; M243-V247 VanDerWaalsContact O-CB 3.31Å; M243-V247 WeakPolarHBondContact O-CB 3.28Å; M243-V247 WeakPolarHBondContact O-CG2 3.43Å; M243-V247 PolarHBondContact O-N 2.95Å; M243-V247 VanDerWaalsContact O-N 3.16Å; M243-V247 HydrophobicContact SD-CG2 3.69Å; H244-V247 PolarHBondContact O-N 2.89Å; E245-V247 VanDerWaalsContact C-N 3.31Å; E245-V247 PolarHBondContact O-N 3.36Å; V247-T251 HydrophobicContact CG1-CG2 4.5Å; V247-T251 WeakPolarHBondContact O-CB 3.45Å; V247-T251 WeakPolarHBondContact O-CG2 3.38Å; V247-T251 PolarHBondContact O-N 3.12Å; V247-T251 PolarHBondContact O-OG1 3.04Å; V247-V284 HydrophobicContact CG1-CG2 3.71Å; V247-V284 HydrophobicContact CG2-CB 4.49Å; V247-V284 HydrophobicContact CG2-CG1 3.85Å; V247-V284 HydrophobicContact CG2-CG2 3.9Å
248T69.7Low62.9Low57 Ų5752.9 Ų52.935%0.3532%0.317SS..Hα-helixtrans-66.9-52.3173.550.90000111.6H244 E245 L250 T251 V252H244-T248 WeakPolarHBondContact O-CG2 3.32Å; H244-T248 PolarHBondContact O-N 3.33Å; H244-T248 PolarHBondContact O-OG1 3.02Å; H244-T248 VanDerWaalsContact O-OG1 3.1Å; E245-T248 WeakPolarHBondContact CA-OG1 3.43Å; E245-T248 PolarHBondContact O-N 3.38Å; E245-T248 PolarHBondContact O-OG1 3.4Å; T248-L250 PolarHBondContact O-N 3.23Å; T248-T251 CarbonylContact O-C 3.12Å; T248-T251 PolarHBondContact O-N 3.31Å; T248-T251 VanDerWaalsContact O-N 3.09Å; T248-V252 WeakPolarHBondContact O-CB 3.47Å; T248-V252 WeakPolarHBondContact O-CG2 3.46Å; T248-V252 PolarHBondContact O-N 3.26Å
249H72.4Confident62.1Low13 Ų1356.9 Ų56.96%0.0634%0.337CS..Hα-helixtrans-52.5-53.5175.6155.260.7000111.1C221 C236 F240 E245 T251 V252 E253 H254C221-H249 PolarHBondContact SG-NE2 3.24Å; C221-H249 VanDerWaalsContact SG-NE2 3.36Å; C236-H249 PolarHBondContact SG-CE1 2.73Å; C236-H249 PolarHBondContact SG-NE2 2.83Å; F240-H249 HydrophobicContact CE1-CB 3.86Å; F240-H249 HydrophobicContact CE2-CB 4.05Å; F240-H249 AromaticContact CE2-CD2 3.23Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.18Å; F240-H249 AromaticContact CE2-CG 3.72Å; F240-H249 AromaticContact CE2-NE2 3.99Å; F240-H249 HydrophobicContact CZ-CB 3.43Å; F240-H249 VanDerWaalsContact CZ-CB 3.43Å; F240-H249 AromaticContact CZ-CD2 3.31Å; F240-H249 WeakPolarHBondContact CZ-CD2 3.41Å; F240-H249 AromaticContact CZ-CG 3.27Å; E245-H249 PolarHBondContact O-N 3.12Å; H249-T251 VanDerWaalsContact C-N 3.28Å; H249-T251 PolarHBondContact O-N 3.39Å; H249-V252 PolarHBondContact O-N 2.94Å; H249-E253 IonicContact CE1-OE2 3.12Å; H249-E253 PolarHBondContact CE1-OE2 2.84Å; H249-E253 IonicContact CG-OE2 3.97Å; H249-E253 IonicContact ND1-OE2 2.68Å; H249-E253 PolarHBondContact ND1-OE2 2.92Å; H249-E253 PolarHBondContact O-N 3.18Å; H249-H254 AromaticContact CE1-CD2 3.63Å; H249-H254 AromaticContact NE2-CD2 3.5Å
250L67.9Low62.1Low7 Ų760.8 Ų60.84%0.03735%0.349CS..Iπ-helixtrans-55.5-43.7178.1-169.981.6000111.8W223 L246 T248 H254 V255 L283 I287W223-L250 HydrophobicContact CD2-CD1 4.11Å; W223-L250 HydrophobicContact CE3-CD1 3.35Å; W223-L250 HydrophobicContact CH2-CD1 4.41Å; W223-L250 HydrophobicContact CZ3-CD1 3.53Å; W223-L250 HydrophobicContact CZ3-CG 4.27Å; L246-L250 WeakPolarHBondContact O-CB 3.37Å; L246-L250 PolarHBondContact O-N 3.11Å; T248-L250 PolarHBondContact O-N 3.23Å; L250-H254 HydrophobicContact CD1-CB 4.22Å; L250-H254 CarbonylContact O-C 3.54Å; L250-H254 WeakPolarHBondContact O-CA 3.17Å; L250-H254 VanDerWaalsContact O-CB 3.26Å; L250-H254 WeakPolarHBondContact O-CB 3.31Å; L250-H254 PolarHBondContact O-N 3.06Å; L250-H254 VanDerWaalsContact O-N 3.11Å; L250-V255 WeakPolarHBondContact O-CG2 3.23Å; L250-V255 PolarHBondContact O-N 3.02Å; L250-L283 HydrophobicContact CD2-CD2 4.19Å; L250-I287 HydrophobicContact CD2-CD1 3.33Å
251T65.1Low61.3Low24 Ų2463.3 Ų63.315%0.14737%0.368CS..Iπ-helixtrans-87.5-4.8-174.262.20000115.3V247 T248 H249 K280V247-T251 HydrophobicContact CG1-CG2 4.5Å; V247-T251 WeakPolarHBondContact O-CB 3.45Å; V247-T251 WeakPolarHBondContact O-CG2 3.38Å; V247-T251 PolarHBondContact O-N 3.12Å; V247-T251 PolarHBondContact O-OG1 3.04Å; T248-T251 CarbonylContact O-C 3.12Å; T248-T251 PolarHBondContact O-N 3.31Å; T248-T251 VanDerWaalsContact O-N 3.09Å; H249-T251 VanDerWaalsContact C-N 3.28Å; H249-T251 PolarHBondContact O-N 3.39Å; T251-K280 VanDerWaalsContact CB-NZ 3.33Å; T251-K280 HydrophobicContact CG2-CD 3.91Å; T251-K280 HydrophobicContact CG2-CG 4.28Å; T251-K280 PolarHBondContact OG1-NZ 3.19Å
252V65.4Low61.2Low103 Ų10364.5 Ų64.562%0.62437%0.369SS*.Iπ-helixtrans-101.4-50171.6173.10000110.8T248 H249 G256T248-V252 WeakPolarHBondContact O-CB 3.47Å; T248-V252 WeakPolarHBondContact O-CG2 3.46Å; T248-V252 PolarHBondContact O-N 3.26Å; H249-V252 PolarHBondContact O-N 2.94Å; V252-G256 WeakPolarHBondContact O-CA 3.34Å
253E62.2Low61.1Low99 Ų9964.7 Ų64.746%0.46337%0.368SS..Iπ-helixtrans-95.2-18.1-170.9-58.3-169.5142.700113.7K238 H249K238-E253 IonicContact NZ-OE1 3.34Å; K238-E253 PolarHBondContact NZ-OE1 3.44Å; K238-E253 IonicContact NZ-OE2 2.66Å; K238-E253 PolarHBondContact NZ-OE2 3.08Å; H249-E253 IonicContact CE1-OE2 3.12Å; H249-E253 PolarHBondContact CE1-OE2 2.84Å; H249-E253 IonicContact CG-OE2 3.97Å; H249-E253 IonicContact ND1-OE2 2.68Å; H249-E253 PolarHBondContact ND1-OE2 2.92Å; H249-E253 PolarHBondContact O-N 3.18Å
254H60.9Low61.1Low43 Ų4365.2 Ų65.220%0.19937%0.372CS..Iπ-helixtrans-122.8-11.1-175.3-65.6-27.8000114.1W223 C236 H249 L250W223-H254 AromaticContact CD1-CD2 3.71Å; W223-H254 AromaticContact CD1-CG 3.54Å; W223-H254 AromaticContact CD1-ND1 3.59Å; W223-H254 HydrophobicContact CD2-CB 3.83Å; W223-H254 AromaticContact CD2-CD2 3.96Å; W223-H254 AromaticContact CD2-CG 3.9Å; W223-H254 VanDerWaalsContact CE2-CB 3.5Å; W223-H254 AromaticContact CE2-CG 3.85Å; W223-H254 HydrophobicContact CE3-CB 4.38Å; W223-H254 HydrophobicContact CG-CB 4.17Å; W223-H254 AromaticContact CG-CD2 3.49Å; W223-H254 VanDerWaalsContact CG-CD2 3.49Å; W223-H254 AromaticContact CG-CG 3.69Å; W223-H254 HydrophobicContact CH2-CB 4.17Å; W223-H254 HydrophobicContact CZ2-CB 3.68Å; W223-H254 VanDerWaalsContact CZ2-O 3.24Å; W223-H254 WeakPolarHBondContact CZ2-O 3.46Å; W223-H254 AromaticContact NE1-CG 3.68Å; W223-H254 AromaticContact NE1-ND1 3.81Å; C236-H254 WeakPolarHBondContact CB-NE2 3.41Å; H249-H254 AromaticContact CE1-CD2 3.63Å; H249-H254 AromaticContact NE2-CD2 3.5Å; L250-H254 HydrophobicContact CD1-CB 4.22Å; L250-H254 CarbonylContact O-C 3.54Å; L250-H254 WeakPolarHBondContact O-CA 3.17Å; L250-H254 VanDerWaalsContact O-CB 3.26Å; L250-H254 WeakPolarHBondContact O-CB 3.31Å; L250-H254 PolarHBondContact O-N 3.06Å; L250-H254 VanDerWaalsContact O-N 3.11Å
255V61.5Low61.1Low39 Ų3961.2 Ų61.224%0.23636%0.355CS..SBendtrans-129.725.4172.5-164.10000110.1W223 L250 G257 H263W223-V255 HydrophobicContact CH2-CG2 4.26Å; L250-V255 WeakPolarHBondContact O-CG2 3.23Å; L250-V255 PolarHBondContact O-N 3.02Å; V255-G257 VanDerWaalsContact C-N 3.25Å; V255-G257 PolarHBondContact O-N 3.36Å; V255-H263 WeakPolarHBondContact CG1-ND1 3.33Å
256G47.2Very low60.7Low67 Ų6761.4 Ų61.469%0.69135%0.354SS*.  trans-76.361.3-178.500000114V252V252-G256 WeakPolarHBondContact O-CA 3.34Å
257G46.9Very low60.5Low45 Ų4563.2 Ų63.246%0.46436%0.361SS..SBendtrans-145.4144.2175.900000112V255 E259V255-G257 VanDerWaalsContact C-N 3.25Å; V255-G257 PolarHBondContact O-N 3.36Å; G257-E259 VanDerWaalsContact C-N 3.32Å; G257-E259 PolarHBondContact O-N 3.03Å
258P45.9Very low60Low115 Ų11566.5 Ų66.575%0.74738%0.375SS*.SBendtrans-73.8-14.1-17127.9-34.8000115.3Q260P258-Q260 WeakPolarHBondContact O-CG 3.38Å; P258-Q260 PolarHBondContact O-N 3.07Å; P258-Q260 PolarHBondContact O-NE2 3.39Å; P258-Q260 VanDerWaalsContact O-NE2 3.17Å
259E47.7Very low59.6Low178 Ų17870.3 Ų70.383%0.83239%0.393SS*.  trans-83.978.6-173.8-58-146.114500113.1G257 T261G257-E259 VanDerWaalsContact C-N 3.32Å; G257-E259 PolarHBondContact O-N 3.03Å; E259-T261 PolarHBondContact O-N 3.21Å
260Q58.3Low59.5Low160 Ų16069.8 Ų69.875%0.74839%0.391SS*.THydrogen-bonded Turntrans-80.263.9-165.7-67.6159.476.900115.2P258P258-Q260 WeakPolarHBondContact O-CG 3.38Å; P258-Q260 PolarHBondContact O-N 3.07Å; P258-Q260 PolarHBondContact O-NE2 3.39Å; P258-Q260 VanDerWaalsContact O-NE2 3.17Å
261T50.5Low59.4Low91 Ų9175.6 Ų75.656%0.55843%0.432SS*.THydrogen-bonded Turntrans-117.1-29.6173.258.60000114.8E259E259-T261 PolarHBondContact O-N 3.21Å
262N57Low59.2Low95 Ų9578.5 Ų78.551%0.50844%0.441SS..  trans-139.581.3-160-78-42.7000113.4V264 P276N262-V264 PolarHBondContact O-N 3.19Å; N262-P276 HydrophobicContact CB-CB 3.49Å; N262-P276 VanDerWaalsContact CB-CB 3.49Å; N262-P276 HydrophobicContact CB-CG 3.99Å; N262-P276 VanDerWaalsContact OD1-CB 3.3Å; N262-P276 WeakPolarHBondContact OD1-CB 3.43Å; N262-P276 WeakPolarHBondContact OD1-CG 3.49Å
263H64.8Low58.7Low27 Ų2779 Ų7913%0.12544%0.436CS..BIsolated β-bridgetrans-81.2113.1174.9-39.8-79.7000110.2V255 F277 K280 L283V255-H263 WeakPolarHBondContact CG1-ND1 3.33Å; H263-F277 PolarHBondContact CD2-O 3.01Å; H263-F277 VanDerWaalsContact CD2-O 3.25Å; H263-F277 PolarHBondContact N-O 3.41Å; H263-F277 WeakPolarHBondContact O-CB 3.2Å; H263-F277 WeakPolarHBondContact O-CD2 3.48Å; H263-F277 PolarHBondContact O-N 2.92Å; H263-K280 PolarHBondContact CD2-N 3.46Å; H263-K280 PolarHBondContact NE2-N 3.47Å; H263-L283 HydrophobicContact CB-CB 4.32Å; H263-L283 HydrophobicContact CB-CD2 3.7Å
264V62.8Low58.4Low27 Ų2777 Ų7716%0.16444%0.443CS..  trans-92.5163.9-179.5178.60000110.9W223 N262 F266 P276 L283W223-V264 WeakPolarHBondContact CH2-O 3.36Å; W223-V264 WeakPolarHBondContact CZ3-O 3.48Å; N262-V264 PolarHBondContact O-N 3.19Å; V264-F266 HydrophobicContact CB-CD2 4.13Å; V264-F266 HydrophobicContact CB-CE2 3.48Å; V264-F266 VanDerWaalsContact CB-CE2 3.48Å; V264-F266 HydrophobicContact CB-CZ 3.81Å; V264-F266 HydrophobicContact CG1-CD1 4.41Å; V264-F266 HydrophobicContact CG1-CD2 3.88Å; V264-F266 HydrophobicContact CG1-CE1 4.08Å; V264-F266 HydrophobicContact CG1-CE2 3.55Å; V264-F266 HydrophobicContact CG1-CG 4.33Å; V264-F266 HydrophobicContact CG1-CZ 3.65Å; V264-P276 HydrophobicContact CG2-CB 3.81Å; V264-L283 WeakPolarHBondContact O-CD2 3.28Å
265C68.6Low58.5Low8 Ų881.4 Ų81.45%0.05446%0.461CS..  trans-116.8122.9168.6-172.50000108.4F277 L283C265-F277 HydrophobicContact CB-CE2 4.2Å; C265-L283 HydrophobicContact CB-CD1 3.65Å
266F61.7Low58.6Low65 Ų6581.9 Ų81.929%0.28547%0.465SS..  trans-113.757.9-177.4-59.4-101.7000110.2K222 W223 I224 P226 V264K222-F266 VanDerWaalsContact O-O 3.12Å; W223-F266 HydrophobicContact CD2-CB 4.12Å; W223-F266 HydrophobicContact CD2-CD2 4.02Å; W223-F266 HydrophobicContact CD2-CG 4.49Å; W223-F266 AromaticContact CE2-CD2 3.5Å; W223-F266 VanDerWaalsContact CE2-CD2 3.5Å; W223-F266 HydrophobicContact CE3-CB 4.29Å; W223-F266 HydrophobicContact CE3-CD2 4.08Å; W223-F266 AromaticContact CH2-CD2 3.36Å; W223-F266 HydrophobicContact CH2-CD2 3.36Å; W223-F266 AromaticContact CH2-CE2 3.66Å; W223-F266 HydrophobicContact CH2-CE2 3.66Å; W223-F266 AromaticContact CZ2-CD2 3.17Å; W223-F266 HydrophobicContact CZ2-CD2 3.17Å; W223-F266 AromaticContact CZ2-CE2 3.36Å; W223-F266 HydrophobicContact CZ2-CE2 3.36Å; W223-F266 HydrophobicContact CZ2-CG 4.24Å; W223-F266 AromaticContact CZ3-CD2 3.78Å; W223-F266 HydrophobicContact CZ3-CD2 3.78Å; W223-F266 HydrophobicContact CZ3-CE2 4.49Å; I224-F266 PolarHBondContact N-O 3.26Å; P226-F266 HydrophobicContact CG-CE1 4.27Å; P226-F266 HydrophobicContact CG-CZ 4.06Å; V264-F266 HydrophobicContact CB-CD2 4.13Å; V264-F266 HydrophobicContact CB-CE2 3.48Å; V264-F266 VanDerWaalsContact CB-CE2 3.48Å; V264-F266 HydrophobicContact CB-CZ 3.81Å; V264-F266 HydrophobicContact CG1-CD1 4.41Å; V264-F266 HydrophobicContact CG1-CD2 3.88Å; V264-F266 HydrophobicContact CG1-CE1 4.08Å; V264-F266 HydrophobicContact CG1-CE2 3.55Å; V264-F266 HydrophobicContact CG1-CG 4.33Å; V264-F266 HydrophobicContact CG1-CZ 3.65Å
267W65.3Low59.6Low44 Ų4479.6 Ų79.617%0.16744%0.436CS..  trans-101.4135.4176.8-170.7-74.2000108.5I220 K222 D269 C270 H290I220-W267 WeakPolarHBondContact O-CH2 3.47Å; I220-W267 WeakPolarHBondContact O-CZ3 3.39Å; K222-W267 HydrophobicContact CB-CD2 4.06Å; K222-W267 HydrophobicContact CB-CE3 3.9Å; K222-W267 HydrophobicContact CB-CH2 4.19Å; K222-W267 HydrophobicContact CB-CZ2 4.33Å; K222-W267 HydrophobicContact CB-CZ3 3.98Å; K222-W267 HydrophobicContact CD-CH2 4.39Å; K222-W267 HydrophobicContact CD-CZ2 3.94Å; K222-W267 HydrophobicContact CG-CH2 4.27Å; K222-W267 HydrophobicContact CG-CZ2 4.31Å; W267-D269 VanDerWaalsContact C-N 3.32Å; W267-D269 PolarHBondContact O-N 2.89Å; W267-D269 VanDerWaalsContact O-N 3.13Å; W267-C270 HydrophobicContact CB-CB 4.28Å; W267-C270 WeakPolarHBondContact O-CB 3.32Å; W267-C270 PolarHBondContact O-N 2.82Å; W267-H290 AromaticContact CD1-ND1 3.97Å; W267-H290 HydrophobicContact CD2-CB 3.83Å; W267-H290 AromaticContact CD2-CD2 3.73Å; W267-H290 AromaticContact CD2-CG 3.77Å; W267-H290 AromaticContact CE2-CG 3.98Å; W267-H290 HydrophobicContact CE3-CB 4.03Å; W267-H290 HydrophobicContact CG-CB 4.42Å; W267-H290 AromaticContact CG-CD2 3.62Å; W267-H290 AromaticContact CG-CG 3.85Å; W267-H290 AromaticContact CG-NE2 3.77Å; W267-H290 HydrophobicContact CH2-CB 4.08Å; W267-H290 HydrophobicContact CZ2-CB 3.87Å; W267-H290 HydrophobicContact CZ3-CB 4.15Å
268E57.6Low60.7Low90 Ų9086.8 Ų86.842%0.42145%0.454SS..THydrogen-bonded Turntrans-54.6-37.1-163.4-68.4162.9150.800115.5K222 I224K222-E268 IonicContact NZ-OE2 2.7Å; K222-E268 PolarHBondContact NZ-OE2 2.92Å; I224-E268 HydrophobicContact CD1-CG 3.93Å
269D62.6Low61.8Low136 Ų13682.4 Ų82.473%0.72743%0.428SS*.THydrogen-bonded Turntrans-103.328.9-179.9-56.5-72.3000113.3W267 S271W267-D269 VanDerWaalsContact C-N 3.32Å; W267-D269 PolarHBondContact O-N 2.89Å; W267-D269 VanDerWaalsContact O-N 3.13Å; D269-S271 PolarHBondContact O-N 2.7Å
270C68.8Low62.8Low2 Ų278.3 Ų78.31%0.01441%0.408CS..  trans-82.6101.7-169.8-1690000112.8W267 R272 E273 H286W267-C270 HydrophobicContact CB-CB 4.28Å; W267-C270 WeakPolarHBondContact O-CB 3.32Å; W267-C270 PolarHBondContact O-N 2.82Å; C270-R272 CarbonylContact O-C 3.32Å; C270-R272 PolarHBondContact O-N 3.17Å; C270-E273 PolarHBondContact N-OE1 2.85Å; C270-E273 VanDerWaalsContact O-CD 3.26Å; C270-E273 VanDerWaalsContact O-CG 3.23Å; C270-E273 WeakPolarHBondContact O-CG 3.23Å; C270-E273 PolarHBondContact O-N 2.99Å; C270-H286 PolarHBondContact SG-NE2 3.33Å
271S67.2Low63.4Low130 Ų13077.4 Ų77.491%0.90940%0.398SS*.THydrogen-bonded Turntrans-54.2-0.7172.5-165.30000116.2D269D269-S271 PolarHBondContact O-N 2.7Å
272R60.6Low64.5Low85 Ų8578 Ų7832%0.32139%0.393SS..THydrogen-bonded Turntrans-100.214.9169-90.3-168.760.9121.11.3115.2C270 G274 K275 P276C270-R272 CarbonylContact O-C 3.32Å; C270-R272 PolarHBondContact O-N 3.17Å; R272-G274 PolarHBondContact O-N 2.86Å; R272-K275 PolarHBondContact NH2-O 3.1Å; R272-K275 VanDerWaalsContact O-CB 3.3Å; R272-K275 WeakPolarHBondContact O-CB 3.47Å; R272-K275 PolarHBondContact O-N 3.18Å; R272-P276 VanDerWaalsContact NH2-C 3.32Å; R272-P276 PolarHBondContact NH2-O 3.3Å
273E54.3Low65.3Low113 Ų11373.6 Ų73.653%0.52837%0.369SS..THydrogen-bonded Turntrans-27.8122-178.5-68.3-48.2142.400115C270 K275C270-E273 PolarHBondContact N-OE1 2.85Å; C270-E273 VanDerWaalsContact O-CD 3.26Å; C270-E273 VanDerWaalsContact O-CG 3.23Å; C270-E273 WeakPolarHBondContact O-CG 3.23Å; C270-E273 PolarHBondContact O-N 2.99Å; E273-K275 PolarHBondContact O-N 3.32Å
274G55.6Low65.6Low58 Ų5873.3 Ų73.360%0.59837%0.37SS*.THydrogen-bonded Turntrans66.2-5.3179.400000117.1R272 P276R272-G274 PolarHBondContact O-N 2.86Å; G274-P276 VanDerWaalsContact O-CD 3.26Å; G274-P276 WeakPolarHBondContact O-CD 3.35Å
275K62.7Low66.2Low135 Ų13574.5 Ų74.559%0.58738%0.375SS*.  trans-89.1114.1-172.6-68169.5-175.3164.90112.1R272 E273R272-K275 PolarHBondContact NH2-O 3.1Å; R272-K275 VanDerWaalsContact O-CB 3.3Å; R272-K275 WeakPolarHBondContact O-CB 3.47Å; R272-K275 PolarHBondContact O-N 3.18Å; E273-K275 PolarHBondContact O-N 3.32Å
276P64.6Low66.7Low49 Ų4975.5 Ų75.532%0.31838%0.379SS..  trans-70.2156.4-179.726.4-34.1000114.4N262 V264 R272 G274N262-P276 HydrophobicContact CB-CB 3.49Å; N262-P276 VanDerWaalsContact CB-CB 3.49Å; N262-P276 HydrophobicContact CB-CG 3.99Å; N262-P276 VanDerWaalsContact OD1-CB 3.3Å; N262-P276 WeakPolarHBondContact OD1-CB 3.43Å; N262-P276 WeakPolarHBondContact OD1-CG 3.49Å; V264-P276 HydrophobicContact CG2-CB 3.81Å; R272-P276 VanDerWaalsContact NH2-C 3.32Å; R272-P276 PolarHBondContact NH2-O 3.3Å; G274-P276 VanDerWaalsContact O-CD 3.26Å; G274-P276 WeakPolarHBondContact O-CD 3.35Å
277F69Low67.2Low19 Ų1973 Ų738%0.08337%0.368CS..BIsolated β-bridgetrans-100.8124.2168.7-66.7-88.3000109.3H263 C265 A279 K282 L283 H286H263-F277 PolarHBondContact CD2-O 3.01Å; H263-F277 VanDerWaalsContact CD2-O 3.25Å; H263-F277 PolarHBondContact N-O 3.41Å; H263-F277 WeakPolarHBondContact O-CB 3.2Å; H263-F277 WeakPolarHBondContact O-CD2 3.48Å; H263-F277 PolarHBondContact O-N 2.92Å; C265-F277 HydrophobicContact CB-CE2 4.2Å; F277-A279 PolarHBondContact O-N 3.18Å; F277-K282 HydrophobicContact CB-CB 4.16Å; F277-K282 HydrophobicContact CD1-CB 3.66Å; F277-K282 HydrophobicContact CE1-CB 4.47Å; F277-K282 HydrophobicContact CG-CB 4.28Å; F277-L283 HydrophobicContact CB-CB 4.28Å; F277-L283 HydrophobicContact CD2-CB 4.02Å; F277-L283 HydrophobicContact CD2-CD1 3.88Å; F277-L283 HydrophobicContact CE2-CD1 3.93Å; F277-L283 HydrophobicContact CG-CB 4.21Å; F277-H286 HydrophobicContact CE1-CB 3.87Å; F277-H286 HydrophobicContact CE2-CB 4.17Å; F277-H286 AromaticContact CE2-CD2 3.48Å; F277-H286 VanDerWaalsContact CE2-CD2 3.48Å; F277-H286 WeakPolarHBondContact CE2-CD2 3.31Å; F277-H286 AromaticContact CE2-CG 3.99Å; F277-H286 HydrophobicContact CZ-CB 3.42Å; F277-H286 VanDerWaalsContact CZ-CB 3.42Å; F277-H286 AromaticContact CZ-CD2 3.32Å; F277-H286 WeakPolarHBondContact CZ-CD2 3.43Å; F277-H286 AromaticContact CZ-CG 3.35Å
278K68.4Low67.7Low195 Ų19572.7 Ų72.785%0.84837%0.367SS*.SBendtrans-66.74.3178.9-59.7-169175.1-166.90115.5
279A70.5Confident68.5Low24 Ų2471 Ų7120%0.19836%0.363CS..SBendtrans-164137.7178.600000112.8F277 Y281 K282 L283F277-A279 PolarHBondContact O-N 3.18Å; A279-Y281 VanDerWaalsContact C-N 3.26Å; A279-Y281 HydrophobicContact CB-CD1 3.6Å; A279-Y281 HydrophobicContact CB-CE1 3.48Å; A279-Y281 VanDerWaalsContact CB-CE1 3.48Å; A279-Y281 PolarHBondContact O-N 3.11Å; A279-Y281 VanDerWaalsContact O-N 3.15Å; A279-K282 HydrophobicContact CB-CG 4.39Å; A279-K282 WeakPolarHBondContact O-CB 3.5Å; A279-K282 PolarHBondContact O-N 3.4Å; A279-L283 PolarHBondContact O-N 2.96Å
280K67.2Low69Low92 Ų9266.8 Ų66.840%0.434%0.339SS..Hα-helixtrans-48.6-43-179173.4163.8163.9160.60113.1T251 H263 K282 L283 V284T251-K280 VanDerWaalsContact CB-NZ 3.33Å; T251-K280 HydrophobicContact CG2-CD 3.91Å; T251-K280 HydrophobicContact CG2-CG 4.28Å; T251-K280 PolarHBondContact OG1-NZ 3.19Å; H263-K280 PolarHBondContact CD2-N 3.46Å; H263-K280 PolarHBondContact NE2-N 3.47Å; K280-K282 VanDerWaalsContact C-N 3.27Å; K280-K282 PolarHBondContact O-N 3.34Å; K280-L283 PolarHBondContact O-N 3.14Å; K280-V284 WeakPolarHBondContact O-CG2 3.37Å; K280-V284 PolarHBondContact O-N 3.33Å
281Y70.8Confident69Low140 Ų14067.7 Ų67.755%0.54934%0.344SS..Hα-helixtrans-65.1-25.1179.180.7-90.2000113.9A279 N285A279-Y281 VanDerWaalsContact C-N 3.26Å; A279-Y281 HydrophobicContact CB-CD1 3.6Å; A279-Y281 HydrophobicContact CB-CE1 3.48Å; A279-Y281 VanDerWaalsContact CB-CE1 3.48Å; A279-Y281 PolarHBondContact O-N 3.11Å; A279-Y281 VanDerWaalsContact O-N 3.15Å; Y281-N285 WeakPolarHBondContact O-CB 3.44Å; Y281-N285 PolarHBondContact O-N 3.27Å; Y281-N285 VanDerWaalsContact O-N 3.09Å; Y281-N285 PolarHBondContact O-ND2 2.75Å
282K74.8Confident69Low104 Ų10463.4 Ų63.445%0.45232%0.321SS..Hα-helixtrans-75.1-41.2175.7-63.9-67.6-162.9-1680111.3F277 A279 K280 N285 H286F277-K282 HydrophobicContact CB-CB 4.16Å; F277-K282 HydrophobicContact CD1-CB 3.66Å; F277-K282 HydrophobicContact CE1-CB 4.47Å; F277-K282 HydrophobicContact CG-CB 4.28Å; A279-K282 HydrophobicContact CB-CG 4.39Å; A279-K282 WeakPolarHBondContact O-CB 3.5Å; A279-K282 PolarHBondContact O-N 3.4Å; K280-K282 VanDerWaalsContact C-N 3.27Å; K280-K282 PolarHBondContact O-N 3.34Å; K282-N285 PolarHBondContact O-N 3.12Å; K282-H286 PolarHBondContact O-N 3.09Å
283L73.1Confident69.5Low2 Ų260 Ų601%0.0131%0.308CS..Hα-helixtrans-60.6-48.2172.6175.258.9000110.9L250 H263 V264 C265 F277 A279 K280 N285 H286 I287L250-L283 HydrophobicContact CD2-CD2 4.19Å; H263-L283 HydrophobicContact CB-CB 4.32Å; H263-L283 HydrophobicContact CB-CD2 3.7Å; V264-L283 WeakPolarHBondContact O-CD2 3.28Å; C265-L283 HydrophobicContact CB-CD1 3.65Å; F277-L283 HydrophobicContact CB-CB 4.28Å; F277-L283 HydrophobicContact CD2-CB 4.02Å; F277-L283 HydrophobicContact CD2-CD1 3.88Å; F277-L283 HydrophobicContact CE2-CD1 3.93Å; F277-L283 HydrophobicContact CG-CB 4.21Å; A279-L283 PolarHBondContact O-N 2.96Å; K280-L283 PolarHBondContact O-N 3.14Å; L283-N285 VanDerWaalsContact C-N 3.31Å; L283-N285 PolarHBondContact O-N 2.88Å; L283-H286 WeakPolarHBondContact O-CA 3.48Å; L283-H286 WeakPolarHBondContact O-CB 3.43Å; L283-H286 PolarHBondContact O-N 3.33Å; L283-I287 HydrophobicContact CD1-CD1 3.86Å; L283-I287 HydrophobicContact CD1-CG1 4.14Å; L283-I287 HydrophobicContact CG-CD1 3.8Å; L283-I287 WeakPolarHBondContact O-CG1 3.42Å; L283-I287 PolarHBondContact O-N 3.03Å
284V72.1Confident70.6Confident22 Ų2259.3 Ų59.313%0.13330%0.304CS..Hα-helixtrans-60.2-37.4176.6174.90000112.6V247 K280 H286V247-V284 HydrophobicContact CG1-CG2 3.71Å; V247-V284 HydrophobicContact CG2-CB 4.49Å; V247-V284 HydrophobicContact CG2-CG1 3.85Å; V247-V284 HydrophobicContact CG2-CG2 3.9Å; K280-V284 WeakPolarHBondContact O-CG2 3.37Å; K280-V284 PolarHBondContact O-N 3.33Å; V284-H286 VanDerWaalsContact C-N 3.31Å
285N75.2Confident71.5Confident51 Ų5157.2 Ų57.227%0.27328%0.279SS..Hα-helixtrans-72-22.5174.1-83.9-73.9000113.5Y281 K282 L283Y281-N285 WeakPolarHBondContact O-CB 3.44Å; Y281-N285 PolarHBondContact O-N 3.27Å; Y281-N285 VanDerWaalsContact O-N 3.09Å; Y281-N285 PolarHBondContact O-ND2 2.75Å; K282-N285 PolarHBondContact O-N 3.12Å; L283-N285 VanDerWaalsContact C-N 3.31Å; L283-N285 PolarHBondContact O-N 2.88Å
286H78.8Confident72.4Confident29 Ų2953.1 Ų53.113%0.13426%0.261CS..Hα-helixtrans-82.5-38176.5166.758.2000112.4C270 F277 K282 L283 V284 R288 V289 H290C270-H286 PolarHBondContact SG-NE2 3.33Å; F277-H286 HydrophobicContact CE1-CB 3.87Å; F277-H286 HydrophobicContact CE2-CB 4.17Å; F277-H286 AromaticContact CE2-CD2 3.48Å; F277-H286 VanDerWaalsContact CE2-CD2 3.48Å; F277-H286 WeakPolarHBondContact CE2-CD2 3.31Å; F277-H286 AromaticContact CE2-CG 3.99Å; F277-H286 HydrophobicContact CZ-CB 3.42Å; F277-H286 VanDerWaalsContact CZ-CB 3.42Å; F277-H286 AromaticContact CZ-CD2 3.32Å; F277-H286 WeakPolarHBondContact CZ-CD2 3.43Å; F277-H286 AromaticContact CZ-CG 3.35Å; K282-H286 PolarHBondContact O-N 3.09Å; L283-H286 WeakPolarHBondContact O-CA 3.48Å; L283-H286 WeakPolarHBondContact O-CB 3.43Å; L283-H286 PolarHBondContact O-N 3.33Å; V284-H286 VanDerWaalsContact C-N 3.31Å; H286-R288 PolarHBondContact O-N 3.15Å; H286-R288 VanDerWaalsContact O-N 3.14Å; H286-V289 WeakPolarHBondContact O-CB 3.08Å; H286-V289 VanDerWaalsContact O-CG2 3.32Å; H286-V289 WeakPolarHBondContact O-CG2 3.43Å; H286-V289 PolarHBondContact O-N 3.26Å; H286-H290 AromaticContact CE1-CE1 3.98Å; H286-H290 AromaticContact CE1-NE2 3.69Å; H286-H290 AromaticContact NE2-NE2 3.46Å; H286-H290 PolarHBondContact NE2-NE2 2.93Å
287I72.1Confident73.1Confident12 Ų1253.5 Ų53.56%0.06226%0.264CS..Hα-helixtrans-59.8-26.9177.7-69.3156.8000112L246 L250 L283 V289 H290 T291L246-I287 HydrophobicContact CD2-CG2 4.11Å; L250-I287 HydrophobicContact CD2-CD1 3.33Å; L283-I287 HydrophobicContact CD1-CD1 3.86Å; L283-I287 HydrophobicContact CD1-CG1 4.14Å; L283-I287 HydrophobicContact CG-CD1 3.8Å; L283-I287 WeakPolarHBondContact O-CG1 3.42Å; L283-I287 PolarHBondContact O-N 3.03Å; I287-V289 PolarHBondContact O-N 3.01Å; I287-H290 WeakPolarHBondContact O-CB 3.44Å; I287-H290 PolarHBondContact O-N 3.11Å; I287-T291 HydrophobicContact CG2-CG2 4.01Å; I287-T291 PolarHBondContact O-N 3.33Å; I287-T291 PolarHBondContact O-OG1 3.17Å
288R76.2Confident73.9Confident39 Ų3953.3 Ų53.315%0.14727%0.265CS..Hα-helixtrans-64.3-13.7171.5-64.8173.2-175-160.4-9.4114.7H286 G292 E293 F296 A308H286-R288 PolarHBondContact O-N 3.15Å; H286-R288 VanDerWaalsContact O-N 3.14Å; R288-G292 CarbonylContact O-C 3.56Å; R288-G292 WeakPolarHBondContact O-CA 3.4Å; R288-G292 PolarHBondContact O-N 3.24Å; R288-E293 HydrophobicContact CG-CB 4.24Å; R288-E293 PolarHBondContact O-N 2.7Å; R288-F296 VanDerWaalsContact NH1-CE2 3.34Å; R288-A308 HydrophobicContact CB-CB 4.49Å; R288-A308 PolarHBondContact NH1-O 3.03Å
289V75Confident74.6Confident54 Ų5448.1 Ų48.133%0.32725%0.251SS..Hα-helixtrans-73.3-46.3168.7-1780000109.2H286 I287 V441H286-V289 WeakPolarHBondContact O-CB 3.08Å; H286-V289 VanDerWaalsContact O-CG2 3.32Å; H286-V289 WeakPolarHBondContact O-CG2 3.43Å; H286-V289 PolarHBondContact O-N 3.26Å; I287-V289 PolarHBondContact O-N 3.01Å; V289-V441 HydrophobicContact CG1-CB 4.29Å; V289-V441 HydrophobicContact CG1-CG1 3.68Å; V289-V441 HydrophobicContact CG1-CG2 4.48Å
290H71.1Confident75.1Confident48 Ų4850.3 Ų50.322%0.22226%0.256CS..Hα-helixtrans-70.5-43.4179-56.5-39.7000112.9W267 H286 I287 G292W267-H290 AromaticContact CD1-ND1 3.97Å; W267-H290 HydrophobicContact CD2-CB 3.83Å; W267-H290 AromaticContact CD2-CD2 3.73Å; W267-H290 AromaticContact CD2-CG 3.77Å; W267-H290 AromaticContact CE2-CG 3.98Å; W267-H290 HydrophobicContact CE3-CB 4.03Å; W267-H290 HydrophobicContact CG-CB 4.42Å; W267-H290 AromaticContact CG-CD2 3.62Å; W267-H290 AromaticContact CG-CG 3.85Å; W267-H290 AromaticContact CG-NE2 3.77Å; W267-H290 HydrophobicContact CH2-CB 4.08Å; W267-H290 HydrophobicContact CZ2-CB 3.87Å; W267-H290 HydrophobicContact CZ3-CB 4.15Å; H286-H290 AromaticContact CE1-CE1 3.98Å; H286-H290 AromaticContact CE1-NE2 3.69Å; H286-H290 AromaticContact NE2-NE2 3.46Å; H286-H290 PolarHBondContact NE2-NE2 2.93Å; I287-H290 WeakPolarHBondContact O-CB 3.44Å; I287-H290 PolarHBondContact O-N 3.11Å; H290-G292 VanDerWaalsContact C-N 3.32Å
291T68.8Low75.7Confident21 Ų2152 Ų5213%0.12928%0.276CS..SBendtrans-83.5-5.2178.967.80000113.9L219 M243 L246 I287 E293L219-T291 HydrophobicContact CD2-CG2 4.03Å; M243-T291 HydrophobicContact CE-CG2 4.33Å; L246-T291 HydrophobicContact CD2-CG2 4.09Å; I287-T291 HydrophobicContact CG2-CG2 4.01Å; I287-T291 PolarHBondContact O-N 3.33Å; I287-T291 PolarHBondContact O-OG1 3.17Å; T291-E293 PolarHBondContact O-N 2.85Å
292G68.8Low76.1Confident40 Ų4049.7 Ų49.741%0.41230%0.296SS..  trans663.2-178.100000115.9R288 H290 K294R288-G292 CarbonylContact O-C 3.56Å; R288-G292 WeakPolarHBondContact O-CA 3.4Å; R288-G292 PolarHBondContact O-N 3.24Å; H290-G292 VanDerWaalsContact C-N 3.32Å; G292-K294 PolarHBondContact O-N 2.86Å
293E70.4Confident76.7Confident14 Ų1445.9 Ų45.97%0.06528%0.282CS..  trans-62.3130.7-170.9-100.2-160.9-160.700114.3I215 L219 M243 R288 T291 P295 A308I215-E293 HydrophobicContact CD1-CG 4.42Å; I215-E293 VanDerWaalsContact CD1-OE1 3.25Å; I215-E293 WeakPolarHBondContact CD1-OE1 3.33Å; L219-E293 WeakPolarHBondContact CD1-OE1 3.36Å; L219-E293 HydrophobicContact CD2-CG 4.43Å; M243-E293 WeakPolarHBondContact CB-OE1 3.24Å; M243-E293 WeakPolarHBondContact CB-OE2 3.43Å; M243-E293 HydrophobicContact CE-CB 4.42Å; M243-E293 HydrophobicContact CE-CG 4.14Å; M243-E293 WeakPolarHBondContact CE-OE1 3.49Å; M243-E293 WeakPolarHBondContact CE-OE2 3.19Å; M243-E293 WeakPolarHBondContact CG-OE2 3.32Å; R288-E293 HydrophobicContact CG-CB 4.24Å; R288-E293 PolarHBondContact O-N 2.7Å; T291-E293 PolarHBondContact O-N 2.85Å; E293-P295 VanDerWaalsContact C-CD 3.42Å; E293-P295 WeakPolarHBondContact O-CD 3.48Å; E293-A308 WeakPolarHBondContact O-CB 3.26Å
294K76.9Confident77Confident98 Ų9849.1 Ų49.143%0.42632%0.315SS..  trans-122.462.3179.6-64.7171.5-167.3175.40112.3Y210 G292 F296 V306 F307Y210-K294 PolarHBondContact OH-O 2.79Å; G292-K294 PolarHBondContact O-N 2.86Å; K294-F296 PolarHBondContact O-N 3.46Å; K294-V306 HydrophobicContact CB-CB 3.82Å; K294-V306 HydrophobicContact CB-CG2 3.81Å; K294-V306 HydrophobicContact CD-CG2 3.8Å; K294-V306 HydrophobicContact CG-CG2 4.42Å; K294-F307 CarbonylContact C-O 3.49Å; K294-F307 WeakPolarHBondContact CA-O 3.39Å
295P76.1Confident77.5Confident13 Ų1354 Ų548%0.08434%0.335CS..  trans-74.710.4-165.632-38.3000115.7Y210 E293 P297Y210-P295 HydrophobicContact CE1-CB 4.2Å; Y210-P295 WeakPolarHBondContact CE1-O 3.3Å; E293-P295 VanDerWaalsContact C-CD 3.42Å; E293-P295 WeakPolarHBondContact O-CD 3.48Å; P295-P297 WeakPolarHBondContact O-CD 3.48Å
296F79.6Confident77.9Confident49 Ų4954.7 Ų54.722%0.21534%0.341CS..EExtended strand (participates in β ladder)trans-117.883.6177.5-58.4-69.1000110.6R288 K294 F307 L313R288-F296 VanDerWaalsContact NH1-CE2 3.34Å; K294-F296 PolarHBondContact O-N 3.46Å; F296-F307 HydrophobicContact CB-CB 4.3Å; F296-F307 WeakPolarHBondContact CB-O 3.35Å; F296-F307 WeakPolarHBondContact CD2-O 3.47Å; F296-F307 PolarHBondContact N-O 2.86Å; F296-F307 PolarHBondContact O-N 3.19Å; F296-L313 HydrophobicContact CB-CB 4.09Å; F296-L313 HydrophobicContact CB-CD2 3.86Å
297P80.2Confident78Confident58 Ų5855.3 Ų55.338%0.37734%0.343SS..EExtended strand (participates in β ladder)trans-66.2148.2173.326.9-34.3000112.4P295 V306 L313P295-P297 WeakPolarHBondContact O-CD 3.48Å; P297-V306 HydrophobicContact CB-CG1 4.06Å; P297-L313 WeakPolarHBondContact O-CD2 3.3Å
298C86.1Confident78.3Confident15 Ų1556.2 Ų56.210%0.10135%0.352CS..  trans-74.1125.6169.9-166.50000110.3F300 C303 K305 L313 H316C298-F300 VanDerWaalsContact C-N 3.26Å; C298-F300 PolarHBondContact O-N 3.11Å; C298-C303 HydrophobicContact CB-CB 4.35Å; C298-K305 WeakPolarHBondContact CB-O 3.48Å; C298-K305 PolarHBondContact N-O 3.35Å; C298-L313 HydrophobicContact CB-CD1 4.2Å; C298-H316 VanDerWaalsContact SG-CD2 3.5Å; C298-H316 PolarHBondContact SG-NE2 3.28Å; C298-H316 VanDerWaalsContact SG-NE2 3.38Å
299P82.3Confident78.5Confident85 Ų8558.7 Ų58.755%0.55236%0.362SS*.  trans-81.9-0.4-18035.1-37.6000113.5
300F81.3Confident78.7Confident70 Ų7059.6 Ų59.631%0.30737%0.37SS..SBendtrans-75.7124.2176-78.7-85.2000109.8C298 C303 K317 H320 T321C298-F300 VanDerWaalsContact C-N 3.26Å; C298-F300 PolarHBondContact O-N 3.11Å; F300-C303 HydrophobicContact CB-CB 4.05Å; F300-C303 WeakPolarHBondContact O-CB 3.32Å; F300-C303 PolarHBondContact O-N 2.84Å; F300-K317 HydrophobicContact CE2-CB 4.19Å; F300-K317 HydrophobicContact CE2-CG 4.09Å; F300-H320 HydrophobicContact CD1-CB 3.83Å; F300-H320 AromaticContact CD1-CG 4Å; F300-H320 HydrophobicContact CD2-CB 3.83Å; F300-H320 AromaticContact CD2-CD2 3.39Å; F300-H320 WeakPolarHBondContact CD2-CD2 3.07Å; F300-H320 AromaticContact CD2-CG 3.6Å; F300-H320 HydrophobicContact CE1-CB 3.67Å; F300-H320 HydrophobicContact CE2-CB 3.66Å; F300-H320 AromaticContact CE2-CD2 3.88Å; F300-H320 AromaticContact CE2-CG 3.94Å; F300-H320 HydrophobicContact CG-CB 3.92Å; F300-H320 AromaticContact CG-CD2 3.8Å; F300-H320 AromaticContact CG-CG 3.63Å; F300-H320 HydrophobicContact CZ-CB 3.58Å; F300-T321 HydrophobicContact CZ-CG2 4.1Å
301P79.9Confident79.3Confident127 Ų12762.7 Ų62.783%0.82539%0.385SS*.THydrogen-bonded Turntrans-60.5147.9178.726.5-34.3000110.7C303P301-C303 PolarHBondContact O-N 3.41Å; P301-C303 VanDerWaalsContact O-N 3.08Å
302G80.4Confident80Confident93 Ų9364.2 Ų64.296%0.95939%0.392SS*.THydrogen-bonded Turntrans70.7-10.1-174.600000115.6
303C85.6Confident80.8Confident24 Ų2463.4 Ų63.416%0.16238%0.378CS..THydrogen-bonded Turntrans-77.8-41.5-175.8-177.50000114.2C298 F300 P301 K305 H316 H320C298-C303 HydrophobicContact CB-CB 4.35Å; F300-C303 HydrophobicContact CB-CB 4.05Å; F300-C303 WeakPolarHBondContact O-CB 3.32Å; F300-C303 PolarHBondContact O-N 2.84Å; P301-C303 PolarHBondContact O-N 3.41Å; P301-C303 VanDerWaalsContact O-N 3.08Å; C303-K305 PolarHBondContact O-N 2.99Å; C303-H316 PolarHBondContact SG-NE2 3.06Å; C303-H320 PolarHBondContact SG-CE1 2.89Å; C303-H320 PolarHBondContact SG-NE2 3.47Å
304G80.4Confident81.6Confident69 Ų6969.3 Ų69.371%0.71140%0.404SS*.  trans64.9-13177.900000117.7
305K82.1Confident82Confident126 Ų12666.8 Ų66.855%0.54840%0.395SS..  trans-71.6134-171.6-68.5176-176.4-1770112.7C298 C303 F307C298-K305 WeakPolarHBondContact CB-O 3.48Å; C298-K305 PolarHBondContact N-O 3.35Å; C303-K305 PolarHBondContact O-N 2.99Å; K305-F307 HydrophobicContact CB-CE2 3.75Å; K305-F307 HydrophobicContact CB-CZ 3.9Å
306V82.9Confident82.5Confident65 Ų6567.1 Ų67.139%0.39440%0.395SS..EExtended strand (participates in β ladder)trans-119.5142.6-179.6-72.30000111.2K294 P297K294-V306 HydrophobicContact CB-CB 3.82Å; K294-V306 HydrophobicContact CB-CG2 3.81Å; K294-V306 HydrophobicContact CD-CG2 3.8Å; K294-V306 HydrophobicContact CG-CG2 4.42Å; P297-V306 HydrophobicContact CB-CG1 4.06Å
307F81.4Confident82.8Confident42 Ų4268.7 Ų68.718%0.18440%0.402CS..EExtended strand (participates in β ladder)trans-128.7142.3-172.2-60.7-90.8000113.1K294 F296 K305 R309 N312 L313 H316K294-F307 CarbonylContact C-O 3.49Å; K294-F307 WeakPolarHBondContact CA-O 3.39Å; F296-F307 HydrophobicContact CB-CB 4.3Å; F296-F307 WeakPolarHBondContact CB-O 3.35Å; F296-F307 WeakPolarHBondContact CD2-O 3.47Å; F296-F307 PolarHBondContact N-O 2.86Å; F296-F307 PolarHBondContact O-N 3.19Å; K305-F307 HydrophobicContact CB-CE2 3.75Å; K305-F307 HydrophobicContact CB-CZ 3.9Å; F307-R309 VanDerWaalsContact C-N 3.33Å; F307-N312 HydrophobicContact CB-CB 4.32Å; F307-N312 HydrophobicContact CD1-CB 3.84Å; F307-N312 HydrophobicContact CG-CB 4.36Å; F307-L313 HydrophobicContact CB-CB 4.37Å; F307-L313 HydrophobicContact CD2-CB 4.16Å; F307-L313 HydrophobicContact CD2-CD1 4.12Å; F307-L313 HydrophobicContact CE2-CD1 4.37Å; F307-L313 HydrophobicContact CG-CB 4.39Å; F307-H316 HydrophobicContact CE1-CB 4.05Å; F307-H316 HydrophobicContact CE2-CB 3.97Å; F307-H316 AromaticContact CE2-CD2 3.23Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.41Å; F307-H316 AromaticContact CE2-CG 3.71Å; F307-H316 HydrophobicContact CZ-CB 3.54Å; F307-H316 AromaticContact CZ-CD2 3.32Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.5Å; F307-H316 AromaticContact CZ-CG 3.34Å
308A78.1Confident83.1Confident30 Ų3068.1 Ų68.125%0.24839%0.392CS..SBendtrans-71.4-24.2174.900000114R288 E293R288-A308 HydrophobicContact CB-CB 4.49Å; R288-A308 PolarHBondContact NH1-O 3.03Å; E293-A308 WeakPolarHBondContact O-CB 3.26Å
309R80.4Confident83.1Confident91 Ų9171.8 Ų71.834%0.34341%0.414SS..SBendtrans-129.4136.7-175.2-56.7-165.2-67.9103.7-4.7112.1F307 E311 N312 L313F307-R309 VanDerWaalsContact C-N 3.33Å; R309-E311 VanDerWaalsContact C-N 3.31Å; R309-E311 IonicContact CZ-OE2 2.7Å; R309-E311 IonicContact NH1-OE2 3.49Å; R309-E311 PolarHBondContact NH1-OE2 3.41Å; R309-E311 IonicContact NH2-OE2 3.27Å; R309-E311 PolarHBondContact O-N 2.97Å; R309-N312 HydrophobicContact CB-CB 4.48Å; R309-N312 PolarHBondContact NH1-OD1 3.09Å; R309-N312 PolarHBondContact NH2-OD1 3.41Å; R309-N312 WeakPolarHBondContact O-CB 3.43Å; R309-N312 PolarHBondContact O-N 2.96Å; R309-N312 VanDerWaalsContact O-N 3.11Å; R309-L313 PolarHBondContact O-N 2.88Å
310S80Confident83.2Confident73 Ų7371.2 Ų71.251%0.5140%0.404SS..Hα-helixtrans-65.2-32.7-178.651.50000113.2L313 K314S310-L313 PolarHBondContact O-N 2.89Å; S310-K314 PolarHBondContact O-N 3.4Å
311E83.5Confident83.3Confident114 Ų11471.5 Ų71.553%0.53341%0.411SS..Hα-helixtrans-58.8-45.4170.6179.9-177.2-129.700111.7R309 L313 K314 I315R309-E311 VanDerWaalsContact C-N 3.31Å; R309-E311 IonicContact CZ-OE2 2.7Å; R309-E311 IonicContact NH1-OE2 3.49Å; R309-E311 PolarHBondContact NH1-OE2 3.41Å; R309-E311 IonicContact NH2-OE2 3.27Å; R309-E311 PolarHBondContact O-N 2.97Å; E311-L313 VanDerWaalsContact C-N 3.34Å; E311-L313 PolarHBondContact O-N 2.68Å; E311-K314 PolarHBondContact O-N 2.87Å; E311-K314 VanDerWaalsContact O-N 3.12Å; E311-I315 HydrophobicContact CG-CD1 4.03Å; E311-I315 WeakPolarHBondContact O-CG1 3.3Å; E311-I315 PolarHBondContact O-N 2.99Å
312N84.7Confident83.4Confident53 Ų5367.6 Ų67.628%0.28339%0.394SS..Hα-helixtrans-64.2-40.8178-66.38.9000110.8F307 R309 I315 H316F307-N312 HydrophobicContact CB-CB 4.32Å; F307-N312 HydrophobicContact CD1-CB 3.84Å; F307-N312 HydrophobicContact CG-CB 4.36Å; R309-N312 HydrophobicContact CB-CB 4.48Å; R309-N312 PolarHBondContact NH1-OD1 3.09Å; R309-N312 PolarHBondContact NH2-OD1 3.41Å; R309-N312 WeakPolarHBondContact O-CB 3.43Å; R309-N312 PolarHBondContact O-N 2.96Å; R309-N312 VanDerWaalsContact O-N 3.11Å; N312-I315 PolarHBondContact O-N 3.08Å; N312-H316 VanDerWaalsContact O-CB 3.31Å; N312-H316 WeakPolarHBondContact O-CB 3.4Å; N312-H316 PolarHBondContact O-N 3.11Å
313L85.6Confident83.6Confident22 Ų2267.6 Ų67.612%0.11537%0.369CS..Hα-helixtrans-61.2-43.4171.317360.7000111.5F296 P297 C298 F307 R309 S310 E311 I315 H316 K317F296-L313 HydrophobicContact CB-CB 4.09Å; F296-L313 HydrophobicContact CB-CD2 3.86Å; P297-L313 WeakPolarHBondContact O-CD2 3.3Å; C298-L313 HydrophobicContact CB-CD1 4.2Å; F307-L313 HydrophobicContact CB-CB 4.37Å; F307-L313 HydrophobicContact CD2-CB 4.16Å; F307-L313 HydrophobicContact CD2-CD1 4.12Å; F307-L313 HydrophobicContact CE2-CD1 4.37Å; F307-L313 HydrophobicContact CG-CB 4.39Å; R309-L313 PolarHBondContact O-N 2.88Å; S310-L313 PolarHBondContact O-N 2.89Å; E311-L313 VanDerWaalsContact C-N 3.34Å; E311-L313 PolarHBondContact O-N 2.68Å; L313-I315 PolarHBondContact O-N 3.5Å; L313-H316 PolarHBondContact O-N 3.26Å; L313-K317 HydrophobicContact CD1-CG 4.2Å; L313-K317 WeakPolarHBondContact O-CG 3.43Å; L313-K317 PolarHBondContact O-N 2.95Å
314K85.6Confident83.6Confident139 Ų13972 Ų7260%0.60439%0.385SS*.Hα-helixtrans-62.8-40.8178.1-173.1175.3-178.9177.60112S310 E311S310-K314 PolarHBondContact O-N 3.4Å; E311-K314 PolarHBondContact O-N 2.87Å; E311-K314 VanDerWaalsContact O-N 3.12Å
315I86Confident83.8Confident45 Ų4571.8 Ų71.823%0.23137%0.372CS..Hα-helixtrans-65.5-40.7173.4-67.6165.6000110.5E311 N312 L313 R318 N339E311-I315 HydrophobicContact CG-CD1 4.03Å; E311-I315 WeakPolarHBondContact O-CG1 3.3Å; E311-I315 PolarHBondContact O-N 2.99Å; N312-I315 PolarHBondContact O-N 3.08Å; L313-I315 PolarHBondContact O-N 3.5Å; I315-R318 WeakPolarHBondContact O-CB 3.41Å; I315-R318 PolarHBondContact O-N 3.27Å; I315-N339 HydrophobicContact CD1-CB 3.83Å; I315-N339 HydrophobicContact CG1-CB 4.01Å; I315-N339 HydrophobicContact CG2-CB 3.88Å
316H86.5Confident84Confident19 Ų1968.6 Ų68.69%0.08836%0.358CS..Hα-helixtrans-67.8-36.2177.8175.148.3000113.4C298 C303 F307 N312 L313 R318 T319 H320C298-H316 VanDerWaalsContact SG-CD2 3.5Å; C298-H316 PolarHBondContact SG-NE2 3.28Å; C298-H316 VanDerWaalsContact SG-NE2 3.38Å; C303-H316 PolarHBondContact SG-NE2 3.06Å; F307-H316 HydrophobicContact CE1-CB 4.05Å; F307-H316 HydrophobicContact CE2-CB 3.97Å; F307-H316 AromaticContact CE2-CD2 3.23Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.41Å; F307-H316 AromaticContact CE2-CG 3.71Å; F307-H316 HydrophobicContact CZ-CB 3.54Å; F307-H316 AromaticContact CZ-CD2 3.32Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.5Å; F307-H316 AromaticContact CZ-CG 3.34Å; N312-H316 VanDerWaalsContact O-CB 3.31Å; N312-H316 WeakPolarHBondContact O-CB 3.4Å; N312-H316 PolarHBondContact O-N 3.11Å; L313-H316 PolarHBondContact O-N 3.26Å; H316-R318 PolarHBondContact O-N 2.9Å; H316-R318 VanDerWaalsContact O-N 3.1Å; H316-T319 PolarHBondContact CE1-OG1 2.75Å; H316-T319 PolarHBondContact ND1-OG1 3.25Å; H316-T319 PolarHBondContact O-N 2.97Å; H316-T319 PolarHBondContact O-OG1 3.46Å; H316-H320 AromaticContact CD2-NE2 3.96Å; H316-H320 AromaticContact CE1-CD2 3.83Å; H316-H320 AromaticContact CE1-CE1 4Å; H316-H320 AromaticContact CE1-NE2 3.12Å; H316-H320 PolarHBondContact CE1-NE2 2.84Å; H316-H320 AromaticContact NE2-CD2 3.82Å; H316-H320 AromaticContact NE2-NE2 3.02Å; H316-H320 PolarHBondContact NE2-NE2 3Å
317K85.6Confident84.2Confident82 Ų8270.1 Ų70.136%0.35736%0.359SS..Hα-helixtrans-54.2-33.5174.4-74.6-173.5-179.8-166.50112.2F300 L313 T319 H320 T321F300-K317 HydrophobicContact CE2-CB 4.19Å; F300-K317 HydrophobicContact CE2-CG 4.09Å; L313-K317 HydrophobicContact CD1-CG 4.2Å; L313-K317 WeakPolarHBondContact O-CG 3.43Å; L313-K317 PolarHBondContact O-N 2.95Å; K317-T319 VanDerWaalsContact C-N 3.26Å; K317-T319 PolarHBondContact O-N 3.02Å; K317-H320 WeakPolarHBondContact O-CB 3.23Å; K317-H320 PolarHBondContact O-N 2.91Å; K317-T321 PolarHBondContact O-N 3.21Å
318R87.3Confident84.6Confident47 Ų4768.5 Ų68.518%0.17735%0.353CS..Hα-helixtrans-67-18.7174.9-61.3-174.5167.5144.9-1115.1I315 H316 T321 G322 E323 A338I315-R318 WeakPolarHBondContact O-CB 3.41Å; I315-R318 PolarHBondContact O-N 3.27Å; H316-R318 PolarHBondContact O-N 2.9Å; H316-R318 VanDerWaalsContact O-N 3.1Å; R318-T321 WeakPolarHBondContact CA-OG1 3.48Å; R318-G322 CarbonylContact O-C 3.56Å; R318-G322 WeakPolarHBondContact O-CA 3.28Å; R318-G322 PolarHBondContact O-N 2.65Å; R318-E323 HydrophobicContact CB-CB 3.84Å; R318-E323 WeakPolarHBondContact CB-O 3.36Å; R318-E323 HydrophobicContact CG-CB 3.7Å; R318-E323 IonicContact NE-OE2 2.7Å; R318-E323 PolarHBondContact NE-OE2 3.2Å; R318-E323 PolarHBondContact O-N 3.13Å; R318-A338 HydrophobicContact CB-CB 4.03Å; R318-A338 VanDerWaalsContact CD-O 3.3Å; R318-A338 WeakPolarHBondContact CD-O 3.35Å; R318-A338 PolarHBondContact NH1-O 2.97Å
319T84.9Confident85Confident91 Ų9173.7 Ų73.756%0.55837%0.372SS*.Hα-helixtrans-75.9-16.8171.970.50000112.2H316 K317H316-T319 PolarHBondContact CE1-OG1 2.75Å; H316-T319 PolarHBondContact ND1-OG1 3.25Å; H316-T319 PolarHBondContact O-N 2.97Å; H316-T319 PolarHBondContact O-OG1 3.46Å; K317-T319 VanDerWaalsContact C-N 3.26Å; K317-T319 PolarHBondContact O-N 3.02Å
320H84.4Confident85.2Confident74 Ų7474.6 Ų74.634%0.34338%0.379SS..Hα-helixtrans-92.2-39.9173-60.7-76.4000112F300 C303 H316 K317 G322F300-H320 HydrophobicContact CD1-CB 3.83Å; F300-H320 AromaticContact CD1-CG 4Å; F300-H320 HydrophobicContact CD2-CB 3.83Å; F300-H320 AromaticContact CD2-CD2 3.39Å; F300-H320 WeakPolarHBondContact CD2-CD2 3.07Å; F300-H320 AromaticContact CD2-CG 3.6Å; F300-H320 HydrophobicContact CE1-CB 3.67Å; F300-H320 HydrophobicContact CE2-CB 3.66Å; F300-H320 AromaticContact CE2-CD2 3.88Å; F300-H320 AromaticContact CE2-CG 3.94Å; F300-H320 HydrophobicContact CG-CB 3.92Å; F300-H320 AromaticContact CG-CD2 3.8Å; F300-H320 AromaticContact CG-CG 3.63Å; F300-H320 HydrophobicContact CZ-CB 3.58Å; C303-H320 PolarHBondContact SG-CE1 2.89Å; C303-H320 PolarHBondContact SG-NE2 3.47Å; H316-H320 AromaticContact CD2-NE2 3.96Å; H316-H320 AromaticContact CE1-CD2 3.83Å; H316-H320 AromaticContact CE1-CE1 4Å; H316-H320 AromaticContact CE1-NE2 3.12Å; H316-H320 PolarHBondContact CE1-NE2 2.84Å; H316-H320 AromaticContact NE2-CD2 3.82Å; H316-H320 AromaticContact NE2-NE2 3.02Å; H316-H320 PolarHBondContact NE2-NE2 3Å; K317-H320 WeakPolarHBondContact O-CB 3.23Å; K317-H320 PolarHBondContact O-N 2.91Å; H320-G322 VanDerWaalsContact C-N 3.33Å
321T83.8Confident85.2Confident76 Ų7678.4 Ų78.447%0.46639%0.393SS..Hα-helixtrans-83-6.2177.361.30000114.1F300 K317 R318 E323F300-T321 HydrophobicContact CZ-CG2 4.1Å; K317-T321 PolarHBondContact O-N 3.21Å; R318-T321 WeakPolarHBondContact CA-OG1 3.48Å; T321-E323 PolarHBondContact O-N 3.23Å; T321-E323 WeakPolarHBondContact OG1-CG 3.42Å; T321-E323 PolarHBondContact OG1-OE1 2.82Å
322G82.4Confident85.2Confident45 Ų4576.5 Ų76.546%0.46441%0.405SS..  trans72-2.1-176.100000115.1R318 H320 K324R318-G322 CarbonylContact O-C 3.56Å; R318-G322 WeakPolarHBondContact O-CA 3.28Å; R318-G322 PolarHBondContact O-N 2.65Å; H320-G322 VanDerWaalsContact C-N 3.33Å; G322-K324 PolarHBondContact O-N 3.03Å; G322-K324 VanDerWaalsContact O-N 3.11Å
323E84.6Confident85.2Confident93 Ų9374.8 Ų74.844%0.43540%0.396SS..  trans-53.4110.9-176.7-85.9171-11300113.4R318 T321 P325R318-E323 HydrophobicContact CB-CB 3.84Å; R318-E323 WeakPolarHBondContact CB-O 3.36Å; R318-E323 HydrophobicContact CG-CB 3.7Å; R318-E323 IonicContact NE-OE2 2.7Å; R318-E323 PolarHBondContact NE-OE2 3.2Å; R318-E323 PolarHBondContact O-N 3.13Å; T321-E323 PolarHBondContact O-N 3.23Å; T321-E323 WeakPolarHBondContact OG1-CG 3.42Å; T321-E323 PolarHBondContact OG1-OE1 2.82Å; E323-P325 VanDerWaalsContact C-CD 3.44Å; E323-P325 VanDerWaalsContact O-CD 3.3Å; E323-P325 WeakPolarHBondContact O-CD 3.42Å
324K85.6Confident85.3Confident115 Ų11579.6 Ų79.650%0.542%0.422SS..  trans-119.674.4173.3-68163.1-179.4174.30110.4G322 F326 R336 F337G322-K324 PolarHBondContact O-N 3.03Å; G322-K324 VanDerWaalsContact O-N 3.11Å; K324-F326 VanDerWaalsContact C-N 3.28Å; K324-F326 PolarHBondContact O-N 3.35Å; K324-R336 HydrophobicContact CB-CB 3.58Å; K324-R336 HydrophobicContact CD-CB 4.42Å; K324-R336 PolarHBondContact O-NE 2.86Å; K324-R336 PolarHBondContact O-NH2 2.73Å; K324-F337 CarbonylContact C-O 3.52Å; K324-F337 VanDerWaalsContact CA-O 3.28Å; K324-F337 WeakPolarHBondContact CA-O 3.38Å
325P85.2Confident85.2Confident65 Ų6580.6 Ų80.642%0.42242%0.422SS..  trans-70.1-21.8-175.126.8-33.6000113.6E323 K327E323-P325 VanDerWaalsContact C-CD 3.44Å; E323-P325 VanDerWaalsContact O-CD 3.3Å; E323-P325 WeakPolarHBondContact O-CD 3.42Å; P325-K327 PolarHBondContact O-N 2.75Å
326F85.3Confident85.4Confident60 Ų6085.4 Ų85.426%0.26344%0.438SS..EExtended strand (participates in β ladder)trans-93.692.6-177.9-56.2-79.3000110.6K324 R336 F337 N339 R343K324-F326 VanDerWaalsContact C-N 3.28Å; K324-F326 PolarHBondContact O-N 3.35Å; F326-R336 CarbonylContact O-C 3.56Å; F326-R336 WeakPolarHBondContact O-CA 3.45Å; F326-F337 HydrophobicContact CB-CB 4.3Å; F326-F337 PolarHBondContact N-O 3.27Å; F326-F337 VanDerWaalsContact N-O 3.16Å; F326-F337 PolarHBondContact O-N 3.09Å; F326-N339 VanDerWaalsContact CD2-CA 3.48Å; F326-R343 HydrophobicContact CB-CB 4.31Å
327K88.3Confident85.3Confident97 Ų9786.2 Ų86.242%0.42244%0.441SS..EExtended strand (participates in β ladder)trans-66.7147.3165.1-163.7-169.9171.1172.50109.4P325 C333 D334 R336 R343P325-K327 PolarHBondContact O-N 2.75Å; K327-C333 WeakPolarHBondContact CE-O 3.36Å; K327-D334 WeakPolarHBondContact CE-OD1 3.38Å; K327-D334 IonicContact NZ-OD1 3.64Å; K327-D334 PolarHBondContact NZ-OD1 2.89Å; K327-R336 HydrophobicContact CB-CG 4.17Å; K327-R336 HydrophobicContact CG-CG 4.08Å; K327-R343 WeakPolarHBondContact O-CD 3.42Å; K327-R343 PolarHBondContact O-NH1 2.79Å
328C89.4Confident85.3Confident7 Ų783.2 Ų83.25%0.04743%0.431CS..  trans-49.1146.9158.5-172.90000111.2F330 C333 R335 M347 H350C328-F330 PolarHBondContact SG-N 3.17Å; C328-F330 VanDerWaalsContact SG-N 3.36Å; C328-C333 HydrophobicContact CB-CB 4.13Å; C328-C333 WeakPolarHBondContact CB-O 3.27Å; C328-C333 VanDerWaalsContact SG-SG 3.65Å; C328-R335 WeakPolarHBondContact CB-O 3.38Å; C328-R335 PolarHBondContact N-O 2.82Å; C328-M347 HydrophobicContact CB-CE 4.04Å; C328-M347 WeakPolarHBondContact SG-CE 3.14Å; C328-H350 PolarHBondContact SG-NE2 3.3Å; C328-H350 VanDerWaalsContact SG-NE2 3.42Å
329E86.2Confident85.3Confident140 Ų14081.9 Ų81.965%0.65443%0.428SS*.SBendtrans-104.21.4179.1-71.5159.6162.800112.2R343E329-R343 IonicContact OE1-CZ 3.76Å; E329-R343 IonicContact OE1-NH1 3.02Å; E329-R343 PolarHBondContact OE1-NH1 3.28Å; E329-R343 IonicContact OE1-NH2 2.67Å; E329-R343 PolarHBondContact OE1-NH2 3.4Å; E329-R343 IonicContact OE2-CZ 2.68Å; E329-R343 IonicContact OE2-NE 2.72Å; E329-R343 IonicContact OE2-NH1 3.07Å; E329-R343 PolarHBondContact OE2-NH1 2.87Å; E329-R343 IonicContact OE2-NH2 2.67Å; E329-R343 PolarHBondContact OE2-NH2 2.92Å
330F84.1Confident85.3Confident109 Ų10980.3 Ų80.348%0.47842%0.421SS..SBendtrans-87.3133.9172.6-172.9-94.9000109.9C328 C333 H350C328-F330 PolarHBondContact SG-N 3.17Å; C328-F330 VanDerWaalsContact SG-N 3.36Å; F330-C333 HydrophobicContact CB-CB 4.46Å; F330-C333 HydrophobicContact CD1-CB 4.27Å; F330-C333 WeakPolarHBondContact O-CB 3.3Å; F330-C333 PolarHBondContact O-N 2.96Å; F330-H350 HydrophobicContact CB-CB 4.33Å; F330-H350 HydrophobicContact CD1-CB 4.2Å; F330-H350 AromaticContact CD1-CE1 3.63Å; F330-H350 AromaticContact CD1-CG 3.65Å; F330-H350 AromaticContact CD1-ND1 3.29Å; F330-H350 VanDerWaalsContact CD1-ND1 3.29Å; F330-H350 WeakPolarHBondContact CD1-ND1 3.48Å; F330-H350 HydrophobicContact CD2-CB 3.64Å; F330-H350 AromaticContact CD2-CG 3.92Å; F330-H350 HydrophobicContact CE1-CB 4.44Å; F330-H350 AromaticContact CE1-ND1 3.65Å; F330-H350 HydrophobicContact CE2-CB 3.92Å; F330-H350 HydrophobicContact CG-CB 3.79Å; F330-H350 AromaticContact CG-CD2 3.84Å; F330-H350 AromaticContact CG-CG 3.5Å; F330-H350 AromaticContact CG-ND1 3.68Å; F330-H350 HydrophobicContact CZ-CB 4.31Å
331D81Confident85.4Confident153 Ų15380.2 Ų80.282%0.81843%0.428SS*.THydrogen-bonded Turntrans-68.1150-178-162.914.9000112C333D331-C333 PolarHBondContact O-N 3.22Å
332G81.9Confident85.4Confident75 Ų7579.3 Ų79.377%0.77342%0.421SS*.THydrogen-bonded Turntrans677.8-17000000115.3
333C86.3Confident85.7Confident16 Ų1679.6 Ų79.611%0.10841%0.407CS..  trans-116.2102.6177.1-1720000113.4K327 C328 F330 D331 R335 H346 H350K327-C333 WeakPolarHBondContact CE-O 3.36Å; C328-C333 HydrophobicContact CB-CB 4.13Å; C328-C333 WeakPolarHBondContact CB-O 3.27Å; C328-C333 VanDerWaalsContact SG-SG 3.65Å; F330-C333 HydrophobicContact CB-CB 4.46Å; F330-C333 HydrophobicContact CD1-CB 4.27Å; F330-C333 WeakPolarHBondContact O-CB 3.3Å; F330-C333 PolarHBondContact O-N 2.96Å; D331-C333 PolarHBondContact O-N 3.22Å; C333-R335 PolarHBondContact O-N 3.16Å; C333-H346 PolarHBondContact SG-NE2 3.38Å; C333-H346 VanDerWaalsContact SG-NE2 3.45Å; C333-H350 VanDerWaalsContact SG-CE1 3.51Å; C333-H350 PolarHBondContact SG-NE2 3.05Å; C333-H350 VanDerWaalsContact SG-NE2 3.35Å
334D86.3Confident85.7Confident123 Ų12382.2 Ų82.266%0.65842%0.418SS*.  trans-82.914.8177.1-75.7-58000115.6K327 R336K327-D334 WeakPolarHBondContact CE-OD1 3.38Å; K327-D334 IonicContact NZ-OD1 3.64Å; K327-D334 PolarHBondContact NZ-OD1 2.89Å; D334-R336 PolarHBondContact O-N 3.39Å
335R84.8Confident85.5Confident161 Ų16181.9 Ų81.961%0.60842%0.416SS*.  trans-72.6119.4-175.7-149.3169-167146.52.4111.2C328 C333 F337 H346C328-R335 WeakPolarHBondContact CB-O 3.38Å; C328-R335 PolarHBondContact N-O 2.82Å; C333-R335 PolarHBondContact O-N 3.16Å; R335-F337 HydrophobicContact CB-CE2 4.01Å; R335-F337 HydrophobicContact CB-CZ 4.28Å; R335-F337 HydrophobicContact CG-CE2 3.96Å; R335-F337 HydrophobicContact CG-CZ 3.78Å; R335-F337 WeakPolarHBondContact O-CE2 3.47Å; R335-H346 WeakPolarHBondContact CD-NE2 3.44Å
336R88.5Confident85.5Confident146 Ų14679.5 Ų79.555%0.55140%0.399SS*.EExtended strand (participates in β ladder)trans-111.8144.5-178-58.5175.665.31584.1112.6K324 F326 K327 D334K324-R336 HydrophobicContact CB-CB 3.58Å; K324-R336 HydrophobicContact CD-CB 4.42Å; K324-R336 PolarHBondContact O-NE 2.86Å; K324-R336 PolarHBondContact O-NH2 2.73Å; F326-R336 CarbonylContact O-C 3.56Å; F326-R336 WeakPolarHBondContact O-CA 3.45Å; K327-R336 HydrophobicContact CB-CG 4.17Å; K327-R336 HydrophobicContact CG-CG 4.08Å; D334-R336 PolarHBondContact O-N 3.39Å
337F85.6Confident85.4Confident35 Ų3578.4 Ų78.415%0.15440%0.396CS..EExtended strand (participates in β ladder)trans-126149.2-172.4-60.4-94.9000112.7K324 F326 R335 N339 D342 R343 H346K324-F337 CarbonylContact C-O 3.52Å; K324-F337 VanDerWaalsContact CA-O 3.28Å; K324-F337 WeakPolarHBondContact CA-O 3.38Å; F326-F337 HydrophobicContact CB-CB 4.3Å; F326-F337 PolarHBondContact N-O 3.27Å; F326-F337 VanDerWaalsContact N-O 3.16Å; F326-F337 PolarHBondContact O-N 3.09Å; R335-F337 HydrophobicContact CB-CE2 4.01Å; R335-F337 HydrophobicContact CB-CZ 4.28Å; R335-F337 HydrophobicContact CG-CE2 3.96Å; R335-F337 HydrophobicContact CG-CZ 3.78Å; R335-F337 WeakPolarHBondContact O-CE2 3.47Å; F337-N339 VanDerWaalsContact C-N 3.35Å; F337-N339 WeakPolarHBondContact CB-O 3.39Å; F337-D342 HydrophobicContact CD1-CB 4Å; F337-R343 HydrophobicContact CB-CB 4.21Å; F337-R343 HydrophobicContact CD2-CB 3.82Å; F337-R343 HydrophobicContact CD2-CG 4.07Å; F337-R343 HydrophobicContact CG-CB 4.05Å; F337-H346 HydrophobicContact CE1-CB 4.04Å; F337-H346 HydrophobicContact CE2-CB 4.11Å; F337-H346 AromaticContact CE2-CD2 3.38Å; F337-H346 WeakPolarHBondContact CE2-CD2 3.3Å; F337-H346 HydrophobicContact CZ-CB 3.51Å; F337-H346 AromaticContact CZ-CD2 3.27Å; F337-H346 WeakPolarHBondContact CZ-CD2 3.07Å; F337-H346 AromaticContact CZ-CG 3.48Å; F337-H346 VanDerWaalsContact CZ-CG 3.48Å
338A85.7Confident85Confident19 Ų1976.7 Ų76.716%0.15739%0.389CS..SBendtrans-78.1-17.617700000113.5R318R318-A338 HydrophobicContact CB-CB 4.03Å; R318-A338 VanDerWaalsContact CD-O 3.3Å; R318-A338 WeakPolarHBondContact CD-O 3.35Å; R318-A338 PolarHBondContact NH1-O 2.97Å
339N86.7Confident84.5Confident20 Ų2080.7 Ų80.711%0.10741%0.413CS..SBendtrans-139.4158175.470.469.9000111.5I315 F326 F337 S341 D342I315-N339 HydrophobicContact CD1-CB 3.83Å; I315-N339 HydrophobicContact CG1-CB 4.01Å; I315-N339 HydrophobicContact CG2-CB 3.88Å; F326-N339 VanDerWaalsContact CD2-CA 3.48Å; F337-N339 VanDerWaalsContact C-N 3.35Å; F337-N339 WeakPolarHBondContact CB-O 3.39Å; N339-S341 WeakPolarHBondContact OD1-CB 3.41Å; N339-S341 PolarHBondContact OD1-N 3.44Å; N339-D342 PolarHBondContact ND2-OD2 2.67Å; N339-D342 WeakPolarHBondContact OD1-CB 2.92Å; N339-D342 VanDerWaalsContact OD1-CG 3.32Å; N339-D342 PolarHBondContact OD1-N 2.67Å; N339-D342 PolarHBondContact OD1-OD2 3.26Å
340S85.3Confident84.2Confident58 Ų5876.2 Ų76.241%0.40639%0.392SS..Hα-helixtrans-73.8-30.7-178.847.40000113.2R343 K344S340-R343 PolarHBondContact O-N 2.89Å; S340-K344 PolarHBondContact O-N 3.36Å
341S85.9Confident83.6Confident72 Ų7274.7 Ų74.750%0.50339%0.392SS..Hα-helixtrans-62.9-43.2-179.4-55.90000112.4N339 K344 K345N339-S341 WeakPolarHBondContact OD1-CB 3.41Å; N339-S341 PolarHBondContact OD1-N 3.44Å; S341-K344 PolarHBondContact O-N 2.72Å; S341-K345 WeakPolarHBondContact O-CG 3.42Å; S341-K345 PolarHBondContact O-N 3.35Å
342D85.4Confident82.8Confident57 Ų5771.7 Ų71.731%0.30538%0.382SS..Hα-helixtrans-77.2-30.4179.7-64-25.2000111.9F337 N339 K345 H346F337-D342 HydrophobicContact CD1-CB 4Å; N339-D342 PolarHBondContact ND2-OD2 2.67Å; N339-D342 WeakPolarHBondContact OD1-CB 2.92Å; N339-D342 VanDerWaalsContact OD1-CG 3.32Å; N339-D342 PolarHBondContact OD1-N 2.67Å; N339-D342 PolarHBondContact OD1-OD2 3.26Å; D342-K345 PolarHBondContact O-N 3.03Å; D342-K345 WeakPolarHBondContact OD1-CD 3.37Å; D342-K345 WeakPolarHBondContact OD1-CE 3.45Å; D342-K345 IonicContact OD1-NZ 3.98Å; D342-K345 PolarHBondContact OD1-NZ 2.7Å; D342-H346 WeakPolarHBondContact O-CB 3.26Å; D342-H346 PolarHBondContact O-N 2.9Å
343R87.8Confident82.1Confident50 Ų5072.8 Ų72.819%0.18937%0.371CS..Hα-helixtrans-58.1-51.8163-174.4-169.469.2172.915.1110.2F326 K327 E329 F337 S340 K345 H346 M347F326-R343 HydrophobicContact CB-CB 4.31Å; K327-R343 WeakPolarHBondContact O-CD 3.42Å; K327-R343 PolarHBondContact O-NH1 2.79Å; E329-R343 IonicContact OE1-CZ 3.76Å; E329-R343 IonicContact OE1-NH1 3.02Å; E329-R343 PolarHBondContact OE1-NH1 3.28Å; E329-R343 IonicContact OE1-NH2 2.67Å; E329-R343 PolarHBondContact OE1-NH2 3.4Å; E329-R343 IonicContact OE2-CZ 2.68Å; E329-R343 IonicContact OE2-NE 2.72Å; E329-R343 IonicContact OE2-NH1 3.07Å; E329-R343 PolarHBondContact OE2-NH1 2.87Å; E329-R343 IonicContact OE2-NH2 2.67Å; E329-R343 PolarHBondContact OE2-NH2 2.92Å; F337-R343 HydrophobicContact CB-CB 4.21Å; F337-R343 HydrophobicContact CD2-CB 3.82Å; F337-R343 HydrophobicContact CD2-CG 4.07Å; F337-R343 HydrophobicContact CG-CB 4.05Å; S340-R343 PolarHBondContact O-N 2.89Å; R343-K345 VanDerWaalsContact C-N 3.3Å; R343-K345 PolarHBondContact O-N 3.4Å; R343-H346 WeakPolarHBondContact O-CA 3.35Å; R343-H346 WeakPolarHBondContact O-CB 3.44Å; R343-H346 PolarHBondContact O-N 3.49Å; R343-M347 HydrophobicContact CG-CE 3.98Å; R343-M347 HydrophobicContact CG-SD 4.29Å; R343-M347 WeakPolarHBondContact O-CE 3.37Å; R343-M347 WeakPolarHBondContact O-CG 3.22Å; R343-M347 PolarHBondContact O-N 2.97Å; R343-M347 VanDerWaalsContact O-N 3.12Å
344K84.9Confident81.3Confident149 Ų14977.4 Ų77.465%0.64839%0.389SS*.Hα-helixtrans-58.9-41.2-180-172.1167.1-178170.50111.7S340 S341 H346 M347 H348S340-K344 PolarHBondContact O-N 3.36Å; S341-K344 PolarHBondContact O-N 2.72Å; K344-H346 VanDerWaalsContact C-N 3.3Å; K344-H346 PolarHBondContact O-N 3.05Å; K344-M347 PolarHBondContact O-N 3.38Å; K344-H348 PolarHBondContact O-CD2 2.7Å
345K81.4Confident80.8Confident107 Ų10775.5 Ų75.547%0.46538%0.383SS..Hα-helixtrans-59.5-37.6172.6-68.7170.8-161.8163.90113.1S341 D342 R343 H367S341-K345 WeakPolarHBondContact O-CG 3.42Å; S341-K345 PolarHBondContact O-N 3.35Å; D342-K345 PolarHBondContact O-N 3.03Å; D342-K345 WeakPolarHBondContact OD1-CD 3.37Å; D342-K345 WeakPolarHBondContact OD1-CE 3.45Å; D342-K345 IonicContact OD1-NZ 3.98Å; D342-K345 PolarHBondContact OD1-NZ 2.7Å; R343-K345 VanDerWaalsContact C-N 3.3Å; R343-K345 PolarHBondContact O-N 3.4Å; K345-H367 PolarHBondContact O-NE2 2.86Å
346H85Confident80.5Confident16 Ų1672 Ų727%0.07437%0.37CS..Hα-helixtrans-69.5-28.7177.9174.240.6000113.2C333 R335 F337 D342 R343 K344 H348 V349 H350C333-H346 PolarHBondContact SG-NE2 3.38Å; C333-H346 VanDerWaalsContact SG-NE2 3.45Å; R335-H346 WeakPolarHBondContact CD-NE2 3.44Å; F337-H346 HydrophobicContact CE1-CB 4.04Å; F337-H346 HydrophobicContact CE2-CB 4.11Å; F337-H346 AromaticContact CE2-CD2 3.38Å; F337-H346 WeakPolarHBondContact CE2-CD2 3.3Å; F337-H346 HydrophobicContact CZ-CB 3.51Å; F337-H346 AromaticContact CZ-CD2 3.27Å; F337-H346 WeakPolarHBondContact CZ-CD2 3.07Å; F337-H346 AromaticContact CZ-CG 3.48Å; F337-H346 VanDerWaalsContact CZ-CG 3.48Å; D342-H346 WeakPolarHBondContact O-CB 3.26Å; D342-H346 PolarHBondContact O-N 2.9Å; R343-H346 WeakPolarHBondContact O-CA 3.35Å; R343-H346 WeakPolarHBondContact O-CB 3.44Å; R343-H346 PolarHBondContact O-N 3.49Å; K344-H346 VanDerWaalsContact C-N 3.3Å; K344-H346 PolarHBondContact O-N 3.05Å; H346-H348 PolarHBondContact O-N 3.35Å; H346-H348 VanDerWaalsContact O-N 3.17Å; H346-V349 VanDerWaalsContact O-CB 3.23Å; H346-V349 WeakPolarHBondContact O-CB 3.45Å; H346-V349 WeakPolarHBondContact O-CG2 3.26Å; H346-V349 PolarHBondContact O-N 3.35Å; H346-H350 AromaticContact CE1-NE2 3.5Å; H346-H350 AromaticContact NE2-NE2 3.38Å; H346-H350 PolarHBondContact NE2-NE2 3.45Å
347M82.2Confident80.3Confident37 Ų3770.3 Ų70.318%0.18237%0.372CS..Hα-helixtrans-60.7-31.8-177.9-54.9-57.977.700112.1C328 R343 K344 V349 H350 T351C328-M347 HydrophobicContact CB-CE 4.04Å; C328-M347 WeakPolarHBondContact SG-CE 3.14Å; R343-M347 HydrophobicContact CG-CE 3.98Å; R343-M347 HydrophobicContact CG-SD 4.29Å; R343-M347 WeakPolarHBondContact O-CE 3.37Å; R343-M347 WeakPolarHBondContact O-CG 3.22Å; R343-M347 PolarHBondContact O-N 2.97Å; R343-M347 VanDerWaalsContact O-N 3.12Å; K344-M347 PolarHBondContact O-N 3.38Å; M347-V349 PolarHBondContact O-N 3.29Å; M347-H350 PolarHBondContact O-N 3.22Å; M347-T351 PolarHBondContact O-N 2.93Å; M347-T351 VanDerWaalsContact O-N 3.16Å; M347-T351 PolarHBondContact O-OG1 3.42Å; M347-T351 VanDerWaalsContact O-OG1 3.11Å
348H79.8Confident80.2Confident60 Ų6069.1 Ų69.128%0.27837%0.368SS..Hα-helixtrans-61.6-10.4172.5-59-85.1000114.7K344 H346 H367K344-H348 PolarHBondContact O-CD2 2.7Å; H346-H348 PolarHBondContact O-N 3.35Å; H346-H348 VanDerWaalsContact O-N 3.17Å; H348-H367 AromaticContact CD2-CE1 3.64Å; H348-H367 AromaticContact CD2-NE2 3.85Å
349V80.2Confident80.1Confident91 Ų9177.9 Ų77.955%0.55240%0.403SS*.Hα-helixtrans-76.1-34.1169.4-178.60000110.8H346 M347H346-V349 VanDerWaalsContact O-CB 3.23Å; H346-V349 WeakPolarHBondContact O-CB 3.45Å; H346-V349 WeakPolarHBondContact O-CG2 3.26Å; H346-V349 PolarHBondContact O-N 3.35Å; M347-V349 PolarHBondContact O-N 3.29Å
350H79.2Confident79.8Confident47 Ų4781.7 Ų81.722%0.21842%0.421CS..Hα-helixtrans-82.4-38.8178.8-59.6-64.1000112.1C328 F330 C333 H346 M347 S352C328-H350 PolarHBondContact SG-NE2 3.3Å; C328-H350 VanDerWaalsContact SG-NE2 3.42Å; F330-H350 HydrophobicContact CB-CB 4.33Å; F330-H350 HydrophobicContact CD1-CB 4.2Å; F330-H350 AromaticContact CD1-CE1 3.63Å; F330-H350 AromaticContact CD1-CG 3.65Å; F330-H350 AromaticContact CD1-ND1 3.29Å; F330-H350 VanDerWaalsContact CD1-ND1 3.29Å; F330-H350 WeakPolarHBondContact CD1-ND1 3.48Å; F330-H350 HydrophobicContact CD2-CB 3.64Å; F330-H350 AromaticContact CD2-CG 3.92Å; F330-H350 HydrophobicContact CE1-CB 4.44Å; F330-H350 AromaticContact CE1-ND1 3.65Å; F330-H350 HydrophobicContact CE2-CB 3.92Å; F330-H350 HydrophobicContact CG-CB 3.79Å; F330-H350 AromaticContact CG-CD2 3.84Å; F330-H350 AromaticContact CG-CG 3.5Å; F330-H350 AromaticContact CG-ND1 3.68Å; F330-H350 HydrophobicContact CZ-CB 4.31Å; C333-H350 VanDerWaalsContact SG-CE1 3.51Å; C333-H350 PolarHBondContact SG-NE2 3.05Å; C333-H350 VanDerWaalsContact SG-NE2 3.35Å; H346-H350 AromaticContact CE1-NE2 3.5Å; H346-H350 AromaticContact NE2-NE2 3.38Å; H346-H350 PolarHBondContact NE2-NE2 3.45Å; M347-H350 PolarHBondContact O-N 3.22Å; H350-S352 PolarHBondContact O-N 3.36Å
351T71.1Confident79.8Confident77 Ų7780.4 Ų80.447%0.47241%0.411SS..SBendtrans-65.6-18.9-179.6-33.90000113.1M347 D353M347-T351 PolarHBondContact O-N 2.93Å; M347-T351 VanDerWaalsContact O-N 3.16Å; M347-T351 PolarHBondContact O-OG1 3.42Å; M347-T351 VanDerWaalsContact O-OG1 3.11Å; T351-D353 HydrophobicContact CG2-CB 4.23Å; T351-D353 VanDerWaalsContact CG2-OD2 3.26Å; T351-D353 WeakPolarHBondContact CG2-OD2 3.48Å; T351-D353 PolarHBondContact O-N 3.22Å
352S65.1Low79.5Confident89 Ų8984.6 Ų84.662%0.62243%0.428SS*.  trans58.9-13.8-174.2-61.80000116.6H350 K354H350-S352 PolarHBondContact O-N 3.36Å; S352-K354 PolarHBondContact O-N 3.12Å
353D67.8Low79.2Confident99 Ų9987.7 Ų87.753%0.52944%0.439SS..  trans-49.7118.5172.1-78.8-24.1000112.6T351 P355T351-D353 HydrophobicContact CG2-CB 4.23Å; T351-D353 VanDerWaalsContact CG2-OD2 3.26Å; T351-D353 WeakPolarHBondContact CG2-OD2 3.48Å; T351-D353 PolarHBondContact O-N 3.22Å; D353-P355 WeakPolarHBondContact O-CD 3.48Å
354K69.6Low78.9Confident113 Ų11387.4 Ų87.449%0.49144%0.444SS..  trans-113.162.9173.5-65.5168.4-171.5173.20110.8S352 Y356 S364 Y365 T366S352-K354 PolarHBondContact O-N 3.12Å; K354-Y356 PolarHBondContact O-N 3.32Å; K354-Y356 VanDerWaalsContact O-N 3.08Å; K354-S364 VanDerWaalsContact CD-OG 3.24Å; K354-S364 WeakPolarHBondContact CD-OG 3.43Å; K354-Y365 CarbonylContact C-O 3.4Å; K354-Y365 VanDerWaalsContact C-O 3.23Å; K354-Y365 VanDerWaalsContact CA-O 3.28Å; K354-Y365 WeakPolarHBondContact CA-O 3.34Å; K354-T366 HydrophobicContact CG-CG2 3.8Å
355P75Confident78.6Confident82 Ų8282.9 Ų82.953%0.53242%0.424SS..  trans-70.5-8.3-170.431.6-37.2000113.6D353 L357D353-P355 WeakPolarHBondContact O-CD 3.48Å; P355-L357 PolarHBondContact O-N 3.33Å
356Y78.9Confident78.4Confident87 Ų8779.7 Ų79.734%0.34141%0.413SS..EExtended strand (participates in β ladder)trans-9878.9179.7-53-69.8000110.3K354 Y365 H367 P368K354-Y356 PolarHBondContact O-N 3.32Å; K354-Y356 VanDerWaalsContact O-N 3.08Å; Y356-Y365 WeakPolarHBondContact CB-O 3.23Å; Y356-Y365 WeakPolarHBondContact CD2-O 3.29Å; Y356-Y365 PolarHBondContact N-O 3.26Å; Y356-Y365 VanDerWaalsContact N-O 3.15Å; Y356-Y365 PolarHBondContact O-N 3.42Å; Y356-H367 VanDerWaalsContact CD2-C 3.47Å; Y356-P368 HydrophobicContact CD1-CB 3.81Å; Y356-P368 HydrophobicContact CD2-CB 4.44Å; Y356-P368 HydrophobicContact CE1-CB 3.82Å; Y356-P368 HydrophobicContact CE1-CG 4.1Å; Y356-P368 HydrophobicContact CE2-CB 4.44Å; Y356-P368 VanDerWaalsContact CE2-CD 3.46Å; Y356-P368 HydrophobicContact CE2-CG 4.22Å; Y356-P368 HydrophobicContact CG-CB 4.13Å
357L82.9Confident78.1Confident111 Ų11180.6 Ų80.658%0.58142%0.418SS*.EExtended strand (participates in β ladder)trans-68.5139.4172.9-73.5156.5000111.3P355 L371P355-L357 PolarHBondContact O-N 3.33Å; L357-L371 WeakPolarHBondContact O-CD2 3.34Å
358C85.3Confident78Confident11 Ų1181.6 Ų81.67%0.07443%0.426CS..  trans-72.2150.1162.5-175.10000110.5M360 C361 K363 L371 H374 M375C358-M360 PolarHBondContact SG-N 3.32Å; C358-M360 VanDerWaalsContact SG-N 3.4Å; C358-C361 VanDerWaalsContact CB-O 3.32Å; C358-C361 WeakPolarHBondContact CB-O 3.39Å; C358-K363 WeakPolarHBondContact CB-O 3.35Å; C358-K363 PolarHBondContact N-O 2.97Å; C358-L371 HydrophobicContact CB-CD1 3.88Å; C358-H374 PolarHBondContact SG-NE2 2.87Å; C358-M375 VanDerWaalsContact SG-SD 3.69Å
359K81.6Confident78.1Confident203 Ų20381.1 Ų81.188%0.88343%0.43SS*.SBendtrans-98.2-3.5177.6-66.4-168.2175.8-169.90113.7
360M80.8Confident78.3Confident100 Ų10079 Ų7949%0.49342%0.419SS..SBendtrans-121-1.5-177.5-69.5-171.8-86.600113.4C358 M375 H378C358-M360 PolarHBondContact SG-N 3.32Å; C358-M360 VanDerWaalsContact SG-N 3.4Å; M360-M375 HydrophobicContact CE-CE 3.43Å; M360-M375 VanDerWaalsContact CE-CE 3.43Å; M360-M375 HydrophobicContact CE-SD 4.3Å; M360-H378 HydrophobicContact CE-CB 3.36Å; M360-H378 PolarHBondContact O-CE1 3.42Å; M360-H378 HydrophobicContact SD-CB 3.85Å
361C86.3Confident78.6Confident30 Ų3078.1 Ų78.120%0.20342%0.416CS..SBendtrans-164.6166.4161.562.30000109.4C358 K363 H374 H378C358-C361 VanDerWaalsContact CB-O 3.32Å; C358-C361 WeakPolarHBondContact CB-O 3.39Å; C361-K363 PolarHBondContact O-N 3.12Å; C361-H374 PolarHBondContact SG-NE2 3.05Å; C361-H374 VanDerWaalsContact SG-NE2 3.42Å; C361-H378 PolarHBondContact SG-NE2 3.27Å
362D79.1Confident79.3Confident160 Ų16081.5 Ų81.586%0.85642%0.42SS*.SBendtrans-74.319.4-173.4-48.2-71.7000114.9S364D362-S364 PolarHBondContact O-N 3.39Å
363K79.6Confident80.2Confident122 Ų12284.2 Ų84.253%0.5342%0.421SS..  trans-78.9117.6-178.9-67.4178.4-174.9169.10110.6C358 C361 Y365C358-K363 WeakPolarHBondContact CB-O 3.35Å; C358-K363 PolarHBondContact N-O 2.97Å; C361-K363 PolarHBondContact O-N 3.12Å; K363-Y365 HydrophobicContact CB-CE2 3.78Å; K363-Y365 WeakPolarHBondContact O-CE2 3.21Å
364S80.2Confident81.1Confident44 Ų4480.5 Ų80.531%0.30840%0.4SS..EExtended strand (participates in β ladder)trans-103.5141.4179.959.60000112.1K354 D362K354-S364 VanDerWaalsContact CD-OG 3.24Å; K354-S364 WeakPolarHBondContact CD-OG 3.43Å; D362-S364 PolarHBondContact O-N 3.39Å
365Y79.9Confident81.8Confident55 Ų5578.2 Ų78.222%0.21639%0.392CS..EExtended strand (participates in β ladder)trans-125144.2-174.5-63.5-88.3000112.3K354 Y356 K363 H367 L371 H374K354-Y365 CarbonylContact C-O 3.4Å; K354-Y365 VanDerWaalsContact C-O 3.23Å; K354-Y365 VanDerWaalsContact CA-O 3.28Å; K354-Y365 WeakPolarHBondContact CA-O 3.34Å; Y356-Y365 WeakPolarHBondContact CB-O 3.23Å; Y356-Y365 WeakPolarHBondContact CD2-O 3.29Å; Y356-Y365 PolarHBondContact N-O 3.26Å; Y356-Y365 VanDerWaalsContact N-O 3.15Å; Y356-Y365 PolarHBondContact O-N 3.42Å; K363-Y365 HydrophobicContact CB-CE2 3.78Å; K363-Y365 WeakPolarHBondContact O-CE2 3.21Å; Y365-H367 VanDerWaalsContact C-N 3.3Å; Y365-L371 HydrophobicContact CD2-CB 4.11Å; Y365-L371 HydrophobicContact CD2-CD1 4.02Å; Y365-L371 HydrophobicContact CE2-CD1 4.35Å; Y365-L371 HydrophobicContact CG-CB 4.3Å; Y365-H374 HydrophobicContact CE1-CB 4.22Å; Y365-H374 HydrophobicContact CE2-CB 4.02Å; Y365-H374 AromaticContact CE2-CD2 3.27Å; Y365-H374 WeakPolarHBondContact CE2-CD2 3.43Å; Y365-H374 AromaticContact CE2-CG 3.81Å; Y365-H374 AromaticContact CZ-CD2 3.54Å; Y365-H374 AromaticContact CZ-CG 3.6Å; Y365-H374 PolarHBondContact OH-CD2 3.45Å; Y365-H374 VanDerWaalsContact OH-CD2 3.24Å
366T77.9Confident82.3Confident40 Ų4080.7 Ų80.725%0.24539%0.394CS..SBendtrans-76.5-14.4174.253.90000113.4K354K354-T366 HydrophobicContact CG-CG2 3.8Å
367H77.7Confident82.5Confident35 Ų3580.5 Ų80.516%0.16240%0.402CS..SBendtrans-138.2139.8-177.4-79.5-76.7000112.7K345 H348 Y356 Y365 S369 S370 L371K345-H367 PolarHBondContact O-NE2 2.86Å; H348-H367 AromaticContact CD2-CE1 3.64Å; H348-H367 AromaticContact CD2-NE2 3.85Å; Y356-H367 VanDerWaalsContact CD2-C 3.47Å; Y365-H367 VanDerWaalsContact C-N 3.3Å; H367-S369 VanDerWaalsContact C-N 3.27Å; H367-S369 PolarHBondContact O-N 3.19Å; H367-S370 WeakPolarHBondContact O-CB 3.47Å; H367-S370 PolarHBondContact O-N 2.81Å; H367-S370 VanDerWaalsContact O-N 3.1Å; H367-L371 PolarHBondContact O-N 3.11Å; H367-L371 VanDerWaalsContact O-N 3.11Å
368P79.3Confident82.4Confident57 Ų5776.9 Ų76.937%0.3738%0.382SS..Hα-helixtrans-72.9-21.8-178.428.2-29.5000112.3Y356 R372Y356-P368 HydrophobicContact CD1-CB 3.81Å; Y356-P368 HydrophobicContact CD2-CB 4.44Å; Y356-P368 HydrophobicContact CE1-CB 3.82Å; Y356-P368 HydrophobicContact CE1-CG 4.1Å; Y356-P368 HydrophobicContact CE2-CB 4.44Å; Y356-P368 VanDerWaalsContact CE2-CD 3.46Å; Y356-P368 HydrophobicContact CE2-CG 4.22Å; Y356-P368 HydrophobicContact CG-CB 4.13Å; P368-R372 WeakPolarHBondContact O-CB 3.34Å; P368-R372 PolarHBondContact O-N 3.25Å
369S82.9Confident81.9Confident50 Ų5083.2 Ų83.235%0.3541%0.41SS..Hα-helixtrans-69.5-34.417051.10000112.4H367 K373H367-S369 VanDerWaalsContact C-N 3.27Å; H367-S369 PolarHBondContact O-N 3.19Å; S369-K373 WeakPolarHBondContact O-CG 3.32Å; S369-K373 PolarHBondContact O-N 3.08Å
370S83.7Confident81.1Confident46 Ų4678 Ų7832%0.32240%0.4SS..Hα-helixtrans-70.8-44.4174.3-57.20000110.9H367 R372 K373 H374H367-S370 WeakPolarHBondContact O-CB 3.47Å; H367-S370 PolarHBondContact O-N 2.81Å; H367-S370 VanDerWaalsContact O-N 3.1Å; S370-R372 PolarHBondContact O-N 2.98Å; S370-K373 PolarHBondContact O-N 3.02Å; S370-H374 PolarHBondContact O-N 3.29Å
371L85.8Confident80.1Confident30 Ų3077 Ų7716%0.15740%0.4CS..Hα-helixtrans-56.6-49.2170.4174.159.1000111L357 C358 Y365 H367 K373 H374 M375L357-L371 WeakPolarHBondContact O-CD2 3.34Å; C358-L371 HydrophobicContact CB-CD1 3.88Å; Y365-L371 HydrophobicContact CD2-CB 4.11Å; Y365-L371 HydrophobicContact CD2-CD1 4.02Å; Y365-L371 HydrophobicContact CE2-CD1 4.35Å; Y365-L371 HydrophobicContact CG-CB 4.3Å; H367-L371 PolarHBondContact O-N 3.11Å; H367-L371 VanDerWaalsContact O-N 3.11Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 3.48Å; L371-H374 CarbonylContact O-C 3.14Å; L371-H374 WeakPolarHBondContact O-CA 3.24Å; L371-H374 WeakPolarHBondContact O-CB 3.4Å; L371-H374 PolarHBondContact O-N 2.92Å; L371-M375 HydrophobicContact CD1-CG 3.94Å; L371-M375 HydrophobicContact CD1-SD 4.04Å; L371-M375 HydrophobicContact CG-CG 4.22Å; L371-M375 WeakPolarHBondContact O-CG 3.27Å; L371-M375 PolarHBondContact O-N 3.11Å
372R85.5Confident78.5Confident147 Ų14781.7 Ų81.756%0.55542%0.422SS*.Hα-helixtrans-59-38178.4-171.8-179.9-63.7133.52.9113P368 S370 Y440P368-R372 WeakPolarHBondContact O-CB 3.34Å; P368-R372 PolarHBondContact O-N 3.25Å; S370-R372 PolarHBondContact O-N 2.98Å; R372-Y440 PolarHBondContact NH1-OH 3.33Å; R372-Y440 VanDerWaalsContact NH1-OH 3.09Å
373K84.9Confident77Confident147 Ų14779.6 Ų79.664%0.63942%0.418SS*.Hα-helixtrans-65.3-39.3173.2-76.3-178.3176.7-169.10112.1S369 S370 L371S369-K373 WeakPolarHBondContact O-CG 3.32Å; S369-K373 PolarHBondContact O-N 3.08Å; S370-K373 PolarHBondContact O-N 3.02Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 3.48Å
374H86.7Confident75.4Confident20 Ų2077.8 Ų77.89%0.09343%0.434CS..Hα-helixtrans-70.3-37.8176.3167.149.3000113.1C358 C361 Y365 S370 L371 K376 V377 H378C358-H374 PolarHBondContact SG-NE2 2.87Å; C361-H374 PolarHBondContact SG-NE2 3.05Å; C361-H374 VanDerWaalsContact SG-NE2 3.42Å; Y365-H374 HydrophobicContact CE1-CB 4.22Å; Y365-H374 HydrophobicContact CE2-CB 4.02Å; Y365-H374 AromaticContact CE2-CD2 3.27Å; Y365-H374 WeakPolarHBondContact CE2-CD2 3.43Å; Y365-H374 AromaticContact CE2-CG 3.81Å; Y365-H374 AromaticContact CZ-CD2 3.54Å; Y365-H374 AromaticContact CZ-CG 3.6Å; Y365-H374 PolarHBondContact OH-CD2 3.45Å; Y365-H374 VanDerWaalsContact OH-CD2 3.24Å; S370-H374 PolarHBondContact O-N 3.29Å; L371-H374 CarbonylContact O-C 3.14Å; L371-H374 WeakPolarHBondContact O-CA 3.24Å; L371-H374 WeakPolarHBondContact O-CB 3.4Å; L371-H374 PolarHBondContact O-N 2.92Å; H374-K376 PolarHBondContact O-N 2.64Å; H374-V377 WeakPolarHBondContact O-CA 3.28Å; H374-V377 VanDerWaalsContact O-CB 3.26Å; H374-V377 WeakPolarHBondContact O-CB 3.39Å; H374-V377 PolarHBondContact O-N 2.93Å; H374-H378 AromaticContact CE1-CD2 3.45Å; H374-H378 PolarHBondContact CE1-CD2 3.1Å; H374-H378 VanDerWaalsContact CE1-CD2 3.45Å; H374-H378 AromaticContact CE1-NE2 3.18Å; H374-H378 PolarHBondContact CE1-NE2 2.9Å; H374-H378 AromaticContact NE2-CD2 3.65Å; H374-H378 AromaticContact NE2-NE2 3.31Å; H374-H378 PolarHBondContact NE2-NE2 3.17Å
375M83.8Confident73.5Confident65 Ų6580.2 Ų80.232%0.3245%0.451SS..Hα-helixtrans-56.8-33.5176.2-69.1-63.4-67.700111.8C358 M360 L371 V377 H378 E379C358-M375 VanDerWaalsContact SG-SD 3.69Å; M360-M375 HydrophobicContact CE-CE 3.43Å; M360-M375 VanDerWaalsContact CE-CE 3.43Å; M360-M375 HydrophobicContact CE-SD 4.3Å; L371-M375 HydrophobicContact CD1-CG 3.94Å; L371-M375 HydrophobicContact CD1-SD 4.04Å; L371-M375 HydrophobicContact CG-CG 4.22Å; L371-M375 WeakPolarHBondContact O-CG 3.27Å; L371-M375 PolarHBondContact O-N 3.11Å; M375-V377 PolarHBondContact O-N 2.9Å; M375-H378 PolarHBondContact O-N 3.16Å; M375-H378 VanDerWaalsContact O-N 3.08Å; M375-E379 PolarHBondContact O-N 3.31Å
376K84.9Confident71.6Confident134 Ų13486 Ų8658%0.58348%0.48SS*.Hα-helixtrans-61.1-25.9172.8-65.2-157167.2-1530114.3H374 E379 S380H374-K376 PolarHBondContact O-N 2.64Å; K376-E379 PolarHBondContact O-N 3.45Å; K376-S380 PolarHBondContact O-N 3.18Å; K376-S380 PolarHBondContact O-OG 3.32Å
377V84.3Confident69.8Low83 Ų8389.5 Ų89.550%0.50350%0.503SS..Hα-helixtrans-73.6-32175.9-1730000110.8H374 M375 S380 T381H374-V377 WeakPolarHBondContact O-CA 3.28Å; H374-V377 VanDerWaalsContact O-CB 3.26Å; H374-V377 WeakPolarHBondContact O-CB 3.39Å; H374-V377 PolarHBondContact O-N 2.93Å; M375-V377 PolarHBondContact O-N 2.9Å; V377-S380 PolarHBondContact O-OG 3.11Å; V377-S380 VanDerWaalsContact O-OG 3.12Å; V377-T381 WeakPolarHBondContact O-CB 3.26Å; V377-T381 PolarHBondContact O-N 3.24Å; V377-T381 PolarHBondContact O-OG1 3.02Å
378H81.1Confident67.6Low36 Ų3692.5 Ų92.517%0.16753%0.528CS..Hα-helixtrans-76.8-35.4169.3-71-79.7000111.6M360 C361 H374 M375 S380 T381M360-H378 HydrophobicContact CE-CB 3.36Å; M360-H378 PolarHBondContact O-CE1 3.42Å; M360-H378 HydrophobicContact SD-CB 3.85Å; C361-H378 PolarHBondContact SG-NE2 3.27Å; H374-H378 AromaticContact CE1-CD2 3.45Å; H374-H378 PolarHBondContact CE1-CD2 3.1Å; H374-H378 VanDerWaalsContact CE1-CD2 3.45Å; H374-H378 AromaticContact CE1-NE2 3.18Å; H374-H378 PolarHBondContact CE1-NE2 2.9Å; H374-H378 AromaticContact NE2-CD2 3.65Å; H374-H378 AromaticContact NE2-NE2 3.31Å; H374-H378 PolarHBondContact NE2-NE2 3.17Å; M375-H378 PolarHBondContact O-N 3.16Å; M375-H378 VanDerWaalsContact O-N 3.08Å; H378-S380 VanDerWaalsContact C-N 3.28Å; H378-S380 PolarHBondContact O-N 3.45Å; H378-T381 CarbonylContact O-C 3.23Å; H378-T381 WeakPolarHBondContact O-CA 3.17Å; H378-T381 PolarHBondContact O-N 3.4Å
379E74.9Confident66.2Low143 Ų14396.2 Ų96.267%0.66855%0.552SS**Hα-helixtrans-60.5-36.6174.4-165.2171.7-148.800112M375 K376 T381M375-E379 PolarHBondContact O-N 3.31Å; K376-E379 PolarHBondContact O-N 3.45Å; E379-T381 VanDerWaalsContact C-N 3.3Å
380S64Low63.9Low95 Ų9598.4 Ų98.466%0.66457%0.573SS**THydrogen-bonded Turntrans-82.11.7170.971.50000114.7K376 V377 H378K376-S380 PolarHBondContact O-N 3.18Å; K376-S380 PolarHBondContact O-OG 3.32Å; V377-S380 PolarHBondContact O-OG 3.11Å; V377-S380 VanDerWaalsContact O-OG 3.12Å; H378-S380 VanDerWaalsContact C-N 3.28Å; H378-S380 PolarHBondContact O-N 3.45Å
381T59.7Low61.2Low79 Ų79100 Ų10049%0.48559%0.589SS.*SBendtrans-14365.1-172.5-41.50000110.7V377 H378 E379V377-T381 WeakPolarHBondContact O-CB 3.26Å; V377-T381 PolarHBondContact O-N 3.24Å; V377-T381 PolarHBondContact O-OG1 3.02Å; H378-T381 CarbonylContact O-C 3.23Å; H378-T381 WeakPolarHBondContact O-CA 3.17Å; H378-T381 PolarHBondContact O-N 3.4Å; E379-T381 VanDerWaalsContact C-N 3.3Å
382N53.2Low59.1Low127 Ų127105 Ų10568%0.67963%0.626SS**  trans-127.4140.4-169.5-170.524.2000111.5
383P46.1Very low56.6Low116 Ų116102.3 Ų102.375%0.75363%0.63SS**SBend-108.4134.4-51.232.8-21.9000110
384G46.6Very low54.5Low84 Ų8499.1 Ų99.187%0.86664%0.639SS**  trans-169.6-20.5-179.300000117.2
385S40Very low52Low95 Ų95108.3 Ų108.366%0.66468%0.675SS**  trans-110102.9177.440.50000111.6P387S385-P387 WeakPolarHBondContact O-CD 3.38Å
386Q40Very low49.5Very low178 Ų178114 Ų11483%0.83270%0.7SS**  trans-65126.7158.9-79.3-114.8-81.300109.5
387P40.5Very low46.9Very low112 Ų112112.9 Ų112.973%0.72771%0.71SS**  trans-85.3107.4157.83.816.3000108S385S385-P387 WeakPolarHBondContact O-CD 3.38Å
388S31.3Very low44.3Very low98 Ų98114.6 Ų114.669%0.68573%0.725SS**  trans-62.3148.5170-60.90000110.8A390S388-A390 PolarHBondContact O-N 3.15Å
389P50.7Low42.3Very low136 Ų136118.6 Ų118.688%0.88375%0.752SS**  trans-73.6119.5-172.128.9-34.9000112.1
390A33.5Very low40.4Very low95 Ų95116.9 Ų116.979%0.78575%0.754SS**  trans-154.3157.8172.700000112.4S388S388-A390 PolarHBondContact O-N 3.15Å
391A27.5Very low39.1Very low79 Ų79118.3 Ų118.365%0.65376%0.761SS**  trans57.977.216800000116.9S393A391-S393 PolarHBondContact O-N 2.9Å; A391-S393 VanDerWaalsContact O-N 3.1Å; A391-S393 PolarHBondContact O-OG 2.81Å; A391-S393 VanDerWaalsContact O-OG 3.08Å
392S41.5Very low37.6Very low135 Ų135120.7 Ų120.794%0.94478%0.775SS**  trans-45.5117.9137.6177.80000108.5
393S33.4Very low36.7Very low91 Ų91122.2 Ų122.264%0.63678%0.782SS**  trans-13484.2-176.233.20000108.3A391 Y395A391-S393 PolarHBondContact O-N 2.9Å; A391-S393 VanDerWaalsContact O-N 3.1Å; A391-S393 PolarHBondContact O-OG 2.81Å; A391-S393 VanDerWaalsContact O-OG 3.08Å; S393-Y395 PolarHBondContact O-N 3.4Å
394G41.3Very low36Very low81 Ų81122.6 Ų122.684%0.83578%0.782SS**  trans-63.3121.8165.900000109.1
395Y33.6Very low35.2Very low212 Ų212123.5 Ų123.583%0.83178%0.775SS**  trans-120.7144.3161.365.1-91.6000108S393S393-Y395 PolarHBondContact O-N 3.4Å
396E30.5Very low34.9Very low185 Ų185124.9 Ų124.986%0.86478%0.781SS**  trans-79.2156.1-152.3-65.5176.5102.900114.5S398E396-S398 PolarHBondContact O-N 3.24Å; E396-S398 VanDerWaalsContact O-N 3.11Å
397S30.8Very low34.2Very low111 Ų111121.4 Ų121.478%0.77678%0.777SS**  trans-71.5102.5177.2-169.30000110.2T399S397-T399 PolarHBondContact O-N 3.18Å
398S31.1Very low33.7Very low119 Ų119121.7 Ų121.783%0.83278%0.776SS**  trans-68.5100.2172.7-49.20000110.4E396E396-S398 PolarHBondContact O-N 3.24Å; E396-S398 VanDerWaalsContact O-N 3.11Å
399T37.8Very low33.6Very low119 Ų119125.1 Ų125.173%0.7378%0.782SS**PPolyproline II helixtrans-67.7148.3173.646.90000111.6S397S397-T399 PolarHBondContact O-N 3.18Å
400P35.3Very low32.5Very low108 Ų108124.9 Ų124.970%0.70177%0.773SS**PPolyproline II helixtrans-73148.8169.732-34000110.5T402P400-T402 PolarHBondContact O-N 3.08Å
401P36.4Very low32.2Very low125 Ų125128.2 Ų128.281%0.81277%0.772SS**PPolyproline II helixtrans-75.3123.8-178.529.5-34.2000112
402T29.4Very low32.3Very low129 Ų129129.2 Ų129.279%0.79178%0.775SS**PPolyproline II helixtrans-76.6130.1167.7-55.10000109.9P400 V404P400-T402 PolarHBondContact O-N 3.08Å; T402-V404 HydrophobicContact CG2-CG2 4.27Å
403I33.6Very low31.8Very low158 Ų158127.7 Ų127.781%0.8176%0.764SS**PPolyproline II helixtrans-81.4120.1174.6-60.5171.8000109
404V31.1Very low31.6Very low124 Ų124128.6 Ų128.675%0.75277%0.77SS**  trans-135.7127.4164.6-176.80000108.3T402T402-V404 HydrophobicContact CG2-CG2 4.27Å
405S29.3Very low30.9Very low103 Ų103129.4 Ų129.472%0.7276%0.763SS**  trans-82.4136.7178.9-52.90000111.3
406P34.6Very low30.8Very low124 Ų124126.9 Ų126.981%0.80576%0.762SS**  trans-87.9139.7167.433.9-31.1000111.2
407S25.4Very low30.6Very low105 Ų105123 Ų12373%0.73476%0.756SS**  trans-113.4132.5165.3-71.20000110.1
408T29.4Very low31.4Very low118 Ų118123.4 Ų123.472%0.72476%0.756SS**  trans56.2126.5149.952.50000120.8
409E28.9Very low31.1Very low170 Ų170122.6 Ų122.679%0.79476%0.756SS**  trans78.5138.7138.6-75.4-178.9-133.500119.8
410N28Very low30.6Very low132 Ų132121.6 Ų121.671%0.70676%0.76SS**  cis-161.8178.5-11.4-153.8-18.1000111.3
411Q28Very low30.2Very low164 Ų164122.4 Ų122.477%0.76677%0.769SS**  trans8597.8162-61.7-179.670.300119.9
412S28.4Very low29.8Very low101 Ų101121 Ų12171%0.70677%0.768SS**  30139.7121.956.60000120.7
413S30.9Very low29.8Very low102 Ų102120.8 Ų120.871%0.71377%0.766SS**  cis-160.515145.2-49.90000115
414S28.9Very low29.5Very low110 Ų110120.6 Ų120.677%0.76976%0.761SS**  trans20.8138.7144.767.30000121
415S28.4Very low29.3Very low98 Ų98123.4 Ų123.469%0.68577%0.766SS**  cis-176.8160.648.856.70000115.5
416I30.3Very low29.3Very low159 Ų159124.6 Ų124.682%0.81577%0.769SS**  trans71.1158.4151.4-65.1156.2000119.2
417S26.7Very low28.9Very low105 Ų105125.1 Ų125.173%0.73477%0.77SS**  trans-152.4-172.9-172.8-38.90000109.2
418P46.6Very low29Very low118 Ų118124.7 Ų124.777%0.76677%0.767SS**  cis-134.5-155.3-11.541.8-22.3000113.3
419A25Very low29.1Very low102 Ų102127.9 Ų127.984%0.84377%0.773SS**  trans79.5153.6172.100000116.6
420A28.3Very low28.9Very low99 Ų99124.2 Ų124.282%0.81877%0.766SS**  cis-134.2-178.69.100000113.9
421S26.5Very low29Very low125 Ų125124.1 Ų124.187%0.87477%0.771SS**  trans-94.1176.8-170.3-48.20000115.1
422A28.2Very low28.8Very low96 Ų96124.4 Ų124.479%0.79378%0.777SS**  trans108.4142.2171.500000114.7
423V29.6Very low28.7Very low124 Ų124124 Ų12475%0.75277%0.773SS**  cis-154150.6-9.5123.60000108.8
424H26.3Very low28.6Very low153 Ų153124.6 Ų124.671%0.70878%0.778SS**  trans9.4135.5163.9-64.3-119.2000120.6
425H28.2Very low28.6Very low183 Ų183125.8 Ų125.885%0.84778%0.775SS**  -160.2150.7102.7-105.1-73.1000112.7
426T28.1Very low28.6Very low128 Ų128129.9 Ų129.979%0.78578%0.781SS**  trans-87.3125.2-176.149.90000112.4
427T27.9Very low28.5Very low136 Ų136127.5 Ų127.583%0.83477%0.77SS**  trans-111115.4170.6-54.90000110.3
428S26.8Very low28.6Very low95 Ų95129.7 Ų129.766%0.66477%0.769SS**  trans-78.1135.1178.748.30000112S430S428-S430 PolarHBondContact O-N 3.4Å
429H30.3Very low27.8Very low186 Ų186134.3 Ų134.386%0.86177%0.771SS**  trans-66.894.4174.4-93.2-105.1000111.2T431H429-T431 PolarHBondContact O-N 3.37Å
430S26.2Very low27.8Very low93 Ų93138.4 Ų138.465%0.6577%0.766SS**  trans-94.689.4175.4-63.20000110.3S428 L432S428-S430 PolarHBondContact O-N 3.4Å; S430-L432 PolarHBondContact O-N 2.93Å
431T28.6Very low28.1Very low130 Ų130142 Ų14280%0.79878%0.777SS**  trans-68.990.1177.151.10000110.9H429 S433H429-T431 PolarHBondContact O-N 3.37Å; T431-S433 PolarHBondContact O-N 3.31Å
432L25.5Very low28.1Very low170 Ų170142.8 Ų142.889%0.8977%0.772SS**  trans-68.392.3178-89.4166000111.5S430 S434S430-L432 PolarHBondContact O-N 2.93Å; L432-S434 PolarHBondContact O-N 2.87Å
433S26.4Very low28.1Very low91 Ų91145.3 Ų145.364%0.63677%0.771SS**  trans-51.7132.6167.6-178.90000110.7T431 N435T431-S433 PolarHBondContact O-N 3.31Å; S433-N435 PolarHBondContact O-N 3.08Å
434S28.7Very low28.1Very low115 Ų115146.4 Ų146.480%0.80477%0.772SS**  trans-78.762.5-175.848.60000112.9L432 F436L432-S434 PolarHBondContact O-N 2.87Å; S434-F436 PolarHBondContact O-N 3.1Å
435N29.1Very low28.2Very low135 Ų135146.1 Ų146.172%0.72278%0.776SS**  trans-64.798.5167.8-88.2-21.9000110.5S433S433-N435 PolarHBondContact O-N 3.08Å
436F27.1Very low28.2Very low184 Ų184143.8 Ų143.881%0.80777%0.772SS**  trans-115.999.2159.3-100.7-87.3000110S434S434-F436 PolarHBondContact O-N 3.1Å
437N28.5Very low28.2Very low109 Ų109144.8 Ų144.858%0.58377%0.771SS**  trans-42.9136.2162.4-69.27.7000109.9
438E28.4Very low28.2Very low151 Ų151145.4 Ų145.471%0.70677%0.766SS**  58.5176.578.8-62.4-155.3122.800113.5
439W29.4Very low28.3Very low216 Ų216149.3 Ų149.382%0.81877%0.774SS**  trans65.671.4-179.6-52.679.8000115.4
440Y25.5Very low28.1Very low188 Ų188146.3 Ų146.374%0.73777%0.767SS**  trans-141.697.3137.9-102.7-74.3000109.1R372R372-Y440 PolarHBondContact NH1-OH 3.33Å; R372-Y440 VanDerWaalsContact NH1-OH 3.09Å
441V34.1Very low28.3Very low173 Ų173151.1 Ų151.1100%1.04878%0.777SS**  trans-84.30152.41690000106.4V289V289-V441 HydrophobicContact CG1-CB 4.29Å; V289-V441 HydrophobicContact CG1-CG1 3.68Å; V289-V441 HydrophobicContact CG1-CG2 4.48Å

Retrieved 441 of 441 residues in 54.7 ms (Link to these results)