A0A077ZAW2_TRITR Loading...

SAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZAW2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 339 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M40.7Very low33.8Very low244 Ų244159.8 Ų159.8100%1.20288%0.876SS**  0117.40-93.3175.4163.100107.8
2M26.6Very low34.4Very low180 Ų180158.8 Ų158.889%0.88787%0.869SS**  trans-85.5121.3-177.5-172.2178.5-172.600107.8
3L32Very low34.6Very low167 Ų167157.8 Ų157.887%0.87486%0.862SS**  trans-134.8115.3170-73.6176000111
4T28.5Very low34.9Very low116 Ų116163.6 Ų163.671%0.71287%0.865SS**  trans-60135-177.6-41.40000112.8T6T4-T6 HydrophobicContact CG2-CG2 4.44Å
5L32Very low34.7Very low177 Ų177163.9 Ų163.993%0.92787%0.866SS**  trans-90.9121.2165.2-74.5168.2000109.4
6T33.8Very low35.2Very low132 Ų132163.5 Ų163.581%0.8186%0.864SS**  trans-110.3131.9171.149.90000110.4T4T4-T6 HydrophobicContact CG2-CG2 4.44Å
7A30.7Very low35.4Very low108 Ų108161.1 Ų161.189%0.89386%0.86SS**  trans-97.5160-177.500000114.1
8R33.2Very low35.8Very low245 Ų245159.9 Ų159.993%0.92585%0.852SS**  trans-145.3137.2156.2-113.5-178.8174.6-180-0.1104.4
9K35Very low35.9Very low207 Ų207158.5 Ų158.590%0.985%0.85SS**  cis-175131.930.2172.5-179.2-179.2-177.60106.9
10G38.9Very low36Very low72 Ų72158.7 Ų158.774%0.74285%0.85SS**  trans163.7111.1172.300000113.4
11S40.8Very low36.1Very low110 Ų110158.6 Ų158.677%0.76985%0.849SS**  trans3.3126.9177.265.50000121.2
12N40.9Very low36Very low148 Ų148151.9 Ų151.979%0.79183%0.832SS**  trans62.9137.1149.8-65.1-10.7000119
13D37.5Very low36.5Very low146 Ų146151.4 Ų151.478%0.78183%0.828SS**  trans85.890.6159.6-56.2-26.4000118.7
14R38.6Very low36.8Very low238 Ų238152.6 Ų152.690%0.89883%0.829SS**  trans45.6102.2132.2-70.2-176.4172.1-172.9-1.8117.4
15L30.7Very low37.3Very low168 Ų168152.5 Ų152.588%0.8884%0.84SS**  trans-56.5129.9162.9-63.3163000112.4
16L43.4Very low37.6Very low158 Ų158147.9 Ų147.983%0.82784%0.835SS**  trans-135.2118.2148.6-74.4176.6000108.4I18L16-I18 PolarHBondContact O-N 3.41Å
17P39.2Very low37.9Very low123 Ų123146.9 Ų146.980%0.79983%0.834SS**  trans-80.3112.8171.129.8-26.8000108.8
18I42.4Very low38.3Very low140 Ų140149.8 Ų149.872%0.71883%0.828SS**  trans-89.9108.3168.2-62.7175.7000107.6L16 L20L16-I18 PolarHBondContact O-N 3.41Å; I18-L20 HydrophobicContact CG2-CD1 3.37Å
19T37Very low38.6Very low133 Ų133146.2 Ų146.282%0.81683%0.827SS**  trans-66.4120.1158.342.50000108.5
20L38.7Very low39Very low161 Ų161146.2 Ų146.284%0.84383%0.827SS**  trans-130.8124.4165-120.2101.8000111.2I18I18-L20 HydrophobicContact CG2-CD1 3.37Å
21D37.6Very low39.1Very low157 Ų157151.8 Ų151.884%0.8483%0.831SS**  trans-69.2152.1-170.5-87.1-47.3000114.5H23D21-H23 VanDerWaalsContact C-N 3.32Å; D21-H23 PolarHBondContact O-N 2.92Å
22A37.8Very low38.8Very low103 Ų103154 Ų15485%0.85183%0.833SS**SBendtrans-68.180.6171.100000111.1
23H38.5Very low38.7Very low171 Ų171156.1 Ų156.179%0.79284%0.838SS**  trans-152.141.9170.7-144.2-78000114.9D21D21-H23 VanDerWaalsContact C-N 3.32Å; D21-H23 PolarHBondContact O-N 2.92Å
24E38.6Very low38.7Very low192 Ų192158.3 Ų158.390%0.89784%0.841SS**  trans-154.523.9170.1-137.6162.3174.300116.5
25A38.8Very low38.5Very low114 Ų114152.9 Ų152.994%0.94283%0.834SS**SBendtrans-89.57.6179.500000114.8
26G36.9Very low38.7Very low80 Ų80156.9 Ų156.983%0.82584%0.837SS**SBendtrans-103.3-15.2-16600000118.1
27S41.1Very low38.3Very low111 Ų111159.4 Ų159.478%0.77684%0.836SS**SBendtrans-125.38.7-159.1-156.50000118
28Q39.7Very low37.9Very low168 Ų168159.2 Ų159.279%0.78584%0.837SS**SBendtrans-110.5-11.3-178.7-71.2-82.3-7.600114.8
29L37.9Very low37.4Very low171 Ų171163 Ų16390%0.89584%0.844SS**THydrogen-bonded Turntrans-86.7-2.9-176.5-118.293.3000115.8
30K43.9Very low37.1Very low207 Ų207161.6 Ų161.690%0.984%0.84SS**THydrogen-bonded Turntrans-89.45.8-179.5-97.3-180178.1175.60115.3
31K41.4Very low36.8Very low188 Ų188162.1 Ų162.182%0.81784%0.843SS**SBendtrans-1140.3-177.5-89.3180176.21760116.4
32L34.5Very low36.7Very low156 Ų156161.7 Ų161.782%0.81784%0.841SS**SBendtrans-10914.6-176.5-78.4166.3000115.9
33Q39.6Very low36.4Very low193 Ų193164.2 Ų164.290%0.90284%0.84SS**SBendtrans-92.817.4173.6-79.8-172.1-31.100114.6
34K36.7Very low36.3Very low193 Ų193161.7 Ų161.784%0.83984%0.841SS**  trans-127.753.6-169.8-138.3178-170.4-179.50114.2
35T35.2Very low35.9Very low123 Ų123163.9 Ų163.976%0.75584%0.841SS**  trans-147.877.1163.1-14.20000111.6
36R33.2Very low35.8Very low252 Ų252164.9 Ų164.995%0.95184%0.836SS**  trans-65.4127.2155.2-86-178.1169.7-175.3-0.4107.9
37R35.5Very low35.5Very low212 Ų212165 Ų16580%0.883%0.829SS**  trans-123.2108.5155-80.6-170.5176.2-172.9-0.3109
38S31.6Very low35.1Very low118 Ų118167 Ų16783%0.82583%0.83SS**  trans-68.3129165.638.70000110
39Y32.5Very low34.7Very low219 Ų219167.5 Ų167.586%0.85983%0.833SS**  trans-94.6114.9160.1-76.7-85.3000108.2
40S30.5Very low34.2Very low104 Ų104164.7 Ų164.773%0.72783%0.827SS**  trans-79131.8169.7-170.90000108.7
41L31.8Very low33.6Very low173 Ų173162.8 Ų162.891%0.90683%0.826SS**  trans-92.6115.8167.9-105.6150.2000106.7
42D35.7Very low33.1Very low148 Ų148157.8 Ų157.879%0.79182%0.819SS**  trans-106.7135.9167.2-101.1-39.7000111.8
43N31.5Very low33Very low155 Ų155159.8 Ų159.883%0.82982%0.822SS**  trans-58.7148.3-178.9-79.7-47.5000113.7
44S35.9Very low32.8Very low118 Ų118155.7 Ų155.783%0.82582%0.815SS**  -167.8119.4126.245.30000113.5
45R31.1Very low32.5Very low238 Ų238155 Ų15590%0.89881%0.814SS**  trans-24.2135.1153.1-73.5166.1160171.2-6.1115.7
46T35.7Very low32.3Very low136 Ų136157.1 Ų157.183%0.83482%0.819SS**  179.3111.1123.916.80000107.5
47A30.9Very low32.1Very low82 Ų82149.2 Ų149.268%0.67881%0.807SS**  77.1127.486.700000113.6
48L31.6Very low31.9Very low154 Ų154147.5 Ų147.581%0.80681%0.813SS**  trans79.8111.7148.9-66.2163.4000118.8
49Q33.1Very low31.7Very low178 Ų178149.2 Ų149.283%0.83281%0.808SS**  136.3104.9110.6-94.1168.75.800114.4
50S26.9Very low31.7Very low111 Ų111148.4 Ų148.478%0.77681%0.812SS**  trans-66.6136.1148.554.30000110.5
51L30Very low31.8Very low168 Ų168149.3 Ų149.388%0.8881%0.809SS**  177.8154.1129.2-15065.2000111.8
52A32.5Very low31.8Very low82 Ų82148 Ų14868%0.67881%0.807SS**  trans93.6100.7159.100000115.9
53K32.2Very low31.7Very low198 Ų198145.9 Ų145.986%0.86180%0.802SS**  79.9111.672.1-82.4-175.2178.2-178.80113.2
54S35.2Very low31.5Very low108 Ų108146.4 Ų146.476%0.75581%0.805SS**  170109.1127.853.90000109
55H29.6Very low31.3Very low179 Ų179145 Ų14583%0.82980%0.8SS**  63.1114.299.5-84.1-82.3000114.3
56I32Very low31.2Very low166 Ų166141.4 Ų141.485%0.85180%0.798SS**  178.3131.3103.3-82.2159.7000108.4
57A27.5Very low31Very low86 Ų86143.1 Ų143.171%0.71180%0.801SS**  trans-86.1159.317700000111.5
58L32.6Very low30.9Very low176 Ų176145.3 Ų145.392%0.92181%0.806SS**  trans-155.3115.9142.2-107.3157.4000109.1
59E27.1Very low30.6Very low155 Ų155141.1 Ų141.172%0.72480%0.8SS**  trans-65.1151.7168.8-66.7-174.3128.700111.1
60E33.3Very low30.6Very low202 Ų202142 Ų14294%0.94480%0.802SS**  trans-149.8124.6131.4-129.2175.4-175.300111.1
61N30.7Very low30.7Very low123 Ų123144.8 Ų144.866%0.65880%0.802SS**  trans-82.5137.2-178.1-77-72.6000111.3
62V33.8Very low30.8Very low144 Ų144146 Ų14687%0.87380%0.8SS**  trans-149.8124.3141.9-172.20000110.4
63P31.6Very low30.7Very low104 Ų104150.1 Ų150.168%0.67580%0.803SS**  trans-102.4155.7-178.237.1-30.5000114.8
64N28.8Very low30.7Very low166 Ų166147.9 Ų147.989%0.88880%0.801SS**  trans46.3113.1149.8-70.2-20.2000121.1
65A31.7Very low30.4Very low88 Ų88150 Ų15073%0.72780%0.799SS**  trans-156.8111.1140.900000108.9
66L27.8Very low30.5Very low163 Ų163149.8 Ų149.885%0.85380%0.795SS**  57.6111.6107-65.1169.1000114.1
67L31.8Very low30.3Very low172 Ų172147.9 Ų147.990%0.90179%0.791SS**  -175.8112.9119.3-95.8155.3000111.7
68T28.5Very low30.3Very low129 Ų129151.5 Ų151.579%0.79179%0.793SS**  trans-62.1149.9165.944.30000113.3
69G26.1Very low30.3Very low66 Ų66148.3 Ų148.368%0.6878%0.783SS**  trans105.1135.713600000117
70F33.2Very low30.3Very low195 Ų195149.8 Ų149.886%0.85579%0.792SS**  trans134.593.9155-72.3-65.2000108.8
71Q28.8Very low30.1Very low170 Ų170151.6 Ų151.679%0.79479%0.79SS**  40.1125.893.1-62.4-166.47.200111.4
72K33Very low30Very low193 Ų193152 Ų15284%0.83980%0.798SS**  -175.315150.5-158.3170-179.8177.80108.3
73K29.1Very low29.5Very low170 Ų170153.1 Ų153.174%0.73979%0.793SS**  trans-43.5139.5167.1-82.4166.9166171.10111.4
74D32.6Very low29.2Very low151 Ų151159 Ų15981%0.80780%0.801SS**  trans-146.3126.1135.2-88.9-36.4000111.2
75H28Very low29.1Very low153 Ų153155.7 Ų155.771%0.70879%0.791SS**  trans-80.1118.2173-74.323.9000108.5
76F32.2Very low28.8Very low174 Ų174160.3 Ų160.376%0.76380%0.796SS**  trans-130.396.7157.5-87.6-82.5000110H78F76-H78 PolarHBondContact O-N 2.86Å
77V27.1Very low28.8Very low126 Ų126158 Ų15876%0.76479%0.79SS**  trans-72.6113.2160.81740000107
78H29.3Very low28.5Very low161 Ų161153.9 Ų153.975%0.74578%0.776SS**  trans-123.3112.3159.2-85.8-14.9000109F76 M80F76-H78 PolarHBondContact O-N 2.86Å; H78-M80 PolarHBondContact O-N 3.34Å; H78-M80 VanDerWaalsContact O-N 3.12Å
79P31.5Very low28.5Very low110 Ų110156.2 Ų156.271%0.71478%0.775SS**  trans-76.1100.7171.730.1-27.2000107.7R81P79-R81 PolarHBondContact O-N 3.45Å
80M27.2Very low28.8Very low185 Ų185158.7 Ų158.791%0.91178%0.778SS**  trans-73.196.3172.7-143179.9176.600108.3H78 T82H78-M80 PolarHBondContact O-N 3.34Å; H78-M80 VanDerWaalsContact O-N 3.12Å; M80-T82 PolarHBondContact O-N 3.1Å
81R28.9Very low28.6Very low241 Ų241156.5 Ų156.591%0.90978%0.775SS**  trans-55.4117.7175-80.6179.9172175-2.6110.3P79 H83P79-R81 PolarHBondContact O-N 3.45Å; R81-H83 PolarHBondContact O-N 3.05Å
82T28.5Very low28.5Very low132 Ų132157.8 Ų157.881%0.8177%0.774SS**  trans-79.7100.7168.649.80000109.8M80M80-T82 PolarHBondContact O-N 3.1Å
83H23.5Very low28.1Very low166 Ų166160.2 Ų160.277%0.76978%0.778SS**  trans-122.573.3165-150.9-73.1000109.1R81R81-H83 PolarHBondContact O-N 3.05Å
84W26.4Very low28.1Very low227 Ų227157.6 Ų157.686%0.8678%0.779SS**  trans-106.893.8166.2-70.896.6000107.9
85S26.5Very low27.8Very low97 Ų97155.1 Ų155.168%0.67877%0.774SS**  trans-78.4112.1161.641.30000108
86F25.8Very low27.9Very low186 Ų186157.7 Ų157.782%0.81679%0.786SS**PPolyproline II helixtrans-72.6139.5175.1-82.2-93.5000110.7
87P27.1Very low27.8Very low113 Ų113153.9 Ų153.973%0.73479%0.786SS**PPolyproline II helixtrans-62.6136.5171.8-14.927.8000110.9
88S24.6Very low28.1Very low86 Ų86152 Ų15260%0.60178%0.779SS**PPolyproline II helixtrans-63.8137.7174.257.80000111.6T90S88-T90 PolarHBondContact O-N 3.2Å
89F28.9Very low28.3Very low178 Ų178153.5 Ų153.578%0.78179%0.786SS**G310 helixtrans-66.64.4-173.8-93.8-94.6000116.5N91F89-N91 PolarHBondContact O-N 3.32Å; F89-N91 VanDerWaalsContact O-N 3.17Å
90T31.7Very low28.1Very low119 Ų119151.5 Ų151.573%0.7378%0.775SS**G310 helixtrans-74.2-4.5-172.846.90000115S88S88-T90 PolarHBondContact O-N 3.2Å
91N30.2Very low28.4Very low148 Ų148150.4 Ų150.479%0.79177%0.772SS**G310 helixtrans-107.98-175.8-72.4-25.6000115.6F89 R93F89-N91 PolarHBondContact O-N 3.32Å; F89-N91 VanDerWaalsContact O-N 3.17Å; N91-R93 PolarHBondContact O-N 2.99Å
92Y26.6Very low28.4Very low198 Ų198143 Ų14378%0.77676%0.756SS**  trans-90.388.4173.5-95-86.2000111.6C94Y92-C94 PolarHBondContact O-N 3.47Å
93R24.2Very low28.3Very low244 Ų244143 Ų14392%0.92175%0.747SS**  trans-75.999.5155.4-108.6-174.7179-177.80.5107.5N91N91-R93 PolarHBondContact O-N 2.99Å
94C28.8Very low28.7Very low115 Ų115137.4 Ų137.478%0.77773%0.725SS**  trans-85.2112.6168.8-124.20000108.6Y92Y92-C94 PolarHBondContact O-N 3.47Å
95S27.6Very low28.8Very low98 Ų98135.6 Ų135.669%0.68572%0.718SS**  trans-64.8139.5-179.6-17.30000111.8A97S95-A97 PolarHBondContact O-N 2.71Å
96E28.6Very low29Very low208 Ų208138.7 Ų138.797%0.97272%0.719SS**THydrogen-bonded Turntrans-68.331.7-175.4-63.2177.7145.900115.8
97A31.5Very low29.1Very low93 Ų93137.9 Ų137.977%0.76972%0.718SS**THydrogen-bonded Turntrans-113.810.6-177.600000114.7S95S95-A97 PolarHBondContact O-N 2.71Å
98S33.3Very low29.2Very low88 Ų88139 Ų13962%0.61572%0.717SS**  trans-97.2100.9178.662.90000111.9S100S98-S100 PolarHBondContact O-N 3.16Å
99E32.4Very low29.5Very low191 Ų191142.6 Ų142.689%0.89373%0.728SS**  trans-63.5100.5173.4-69.7-174.3158.600112.2
100S28.4Very low29.5Very low69 Ų69139.6 Ų139.648%0.48372%0.721SS.*  trans62.294.7155.2680000119.3S98 K143S98-S100 PolarHBondContact O-N 3.16Å; S100-K143 PolarHBondContact OG-NZ 3.43Å
101L32.3Very low29.4Very low162 Ų162141 Ų14185%0.84872%0.724SS**PPolyproline II helixtrans-68.3141.9155.5-77.2149.6000110.9E103L101-E103 PolarHBondContact O-N 3.28Å
102C28.8Very low29.7Very low85 Ų85140 Ų14057%0.57472%0.723SS**PPolyproline II helixtrans-63.2127.9174.6-56.90000111.6
103E28Very low29.8Very low132 Ų132135 Ų13562%0.61772%0.722SS**PPolyproline II helixtrans-93.4130.2167.5-169.9-176154.800109L101 R105L101-E103 PolarHBondContact O-N 3.28Å; E103-R105 IonicContact OE1-CZ 2.84Å; E103-R105 IonicContact OE1-NE 3.28Å; E103-R105 PolarHBondContact OE1-NE 2.83Å; E103-R105 IonicContact OE1-NH2 3.85Å; E103-R105 PolarHBondContact OE1-NH2 3.34Å; E103-R105 VanDerWaalsContact OE1-NH2 3.08Å
104V30.4Very low30.4Very low49 Ų49128.9 Ų128.930%0.29772%0.717SS.*  trans-112.4120174.1177.50000108.3F106 F232V104-F106 HydrophobicContact CG1-CE1 4.32Å; V104-F106 HydrophobicContact CG1-CE2 4.09Å; V104-F106 HydrophobicContact CG1-CZ 3.94Å; V104-F232 HydrophobicContact CG2-CD1 3.78Å; V104-F232 HydrophobicContact CG2-CE1 4.03Å
105R28.3Very low30.6Very low189 Ų189129 Ų12971%0.71372%0.719SS**  trans-102.2134.1171.3-67.5-173.7177.5-168.5-1.7109.9E103E103-R105 IonicContact OE1-CZ 2.84Å; E103-R105 IonicContact OE1-NE 3.28Å; E103-R105 PolarHBondContact OE1-NE 2.83Å; E103-R105 IonicContact OE1-NH2 3.85Å; E103-R105 PolarHBondContact OE1-NH2 3.34Å; E103-R105 VanDerWaalsContact OE1-NH2 3.08Å
106F31.1Very low30.9Very low162 Ų162130.1 Ų130.171%0.71173%0.727SS**  trans-100.8114.2172.3-59.1-87.4000107.8V104V104-F106 HydrophobicContact CG1-CE1 4.32Å; V104-F106 HydrophobicContact CG1-CE2 4.09Å; V104-F106 HydrophobicContact CG1-CZ 3.94Å
107E27.6Very low31.3Very low168 Ų168125.6 Ų125.679%0.78572%0.718SS**  trans-98111.7168.5-73.3-179.9178.900108.3
108L30.4Very low31.6Very low138 Ų138126.7 Ų126.772%0.72372%0.72SS**  trans-81.2116.6164.7-161.778.5000106.4D110L108-D110 PolarHBondContact O-N 2.85Å
109L30.7Very low31.8Very low160 Ų160129.8 Ų129.884%0.83873%0.73SS**  trans-87.5102.4171.2-134.179.3000107.2
110D29.6Very low32.2Very low116 Ų116126.9 Ų126.962%0.6273%0.725SS**  trans-86.1150166.3-71.2-34.2000109.9L108L108-D110 PolarHBondContact O-N 2.85Å
111D29.5Very low32.8Very low148 Ų148131.3 Ų131.379%0.79174%0.742SS**  trans76.6135.8169.6-54.8-30.3000117
112V34.7Very low32.9Very low127 Ų127128.9 Ų128.977%0.7774%0.736SS**  -144.7124.560.5173.30000111.6S114V112-S114 PolarHBondContact O-N 2.92Å
113A30.5Very low33.2Very low92 Ų92130.2 Ų130.276%0.7675%0.746SS**  trans-68.1111.4163.200000109.8S115A113-S115 PolarHBondContact O-N 3.3Å
114S36.5Very low33.6Very low117 Ų117129.9 Ų129.982%0.81876%0.757SS**  trans-88.294.2165.6-65.40000109V112V112-S114 PolarHBondContact O-N 2.92Å
115S32.2Very low33.8Very low116 Ų116134.8 Ų134.881%0.81178%0.782SS**  trans-69.4123.1166.648.80000110.9A113A113-S115 PolarHBondContact O-N 3.3Å
116S34.9Very low34Very low123 Ų123130.9 Ų130.986%0.8678%0.781SS**  trans-152.5116.6161.8176.90000109.3
117S35.2Very low34.3Very low113 Ų113129.9 Ų129.979%0.7979%0.788SS**  trans-80.8144.9-174.759.20000113.9
118S39.7Very low34.5Very low115 Ų115127.6 Ų127.680%0.80479%0.785SS**  -173.3136.8126.659.50000110.7
119D36.6Very low34.5Very low154 Ų154124.6 Ų124.682%0.82478%0.78SS**  trans-61.6156.3-170.8-55.7-70.4000116.5
120V41.1Very low34.6Very low129 Ų129122.1 Ų122.178%0.78277%0.774SS**  168.1106.6121.7162.80000110.3
121L41.3Very low34.8Very low162 Ų162122.3 Ų122.385%0.84878%0.781SS**  trans72.1151.2144.5-64177.8000122.9
122P34.4Very low35.1Very low112 Ų112126.5 Ų126.573%0.72779%0.786SS**  trans-116140.1-144.338.2-24.4000113.3
123S34.9Very low34.9Very low112 Ų112125.2 Ų125.278%0.78378%0.783SS**  trans-175131.915450.90000111.4
124C35.7Very low34.8Very low125 Ų125126.7 Ų126.785%0.84578%0.782SS**  trans83.4102.6160-59.70000118.5
125D34.5Very low34.7Very low153 Ų153125.9 Ų125.982%0.81877%0.768SS**  trans8.8143.5151.1-68.4-43.4000121.7V127D125-V127 PolarHBondContact O-N 2.98Å
126P32.3Very low34.5Very low106 Ų106131.9 Ų131.969%0.68877%0.773SS**  trans-85.6109.4-158.235.3-32.7000111.5V128P126-V128 HydrophobicContact CB-CG2 4.04Å; P126-V128 PolarHBondContact O-N 3.49Å
127V37.4Very low34.3Very low142 Ų142134.6 Ų134.686%0.86177%0.769SS**  trans-76.782.5157.5-1760000107.2D125 A129D125-V127 PolarHBondContact O-N 2.98Å; V127-A129 VanDerWaalsContact C-N 3.26Å; V127-A129 PolarHBondContact O-N 3.43Å
128V32.1Very low34.1Very low119 Ų119134.1 Ų134.172%0.72175%0.753SS**  trans-6492.3169.1-1790000107.3P126P126-V128 HydrophobicContact CB-CG2 4.04Å; P126-V128 PolarHBondContact O-N 3.49Å
129A31.3Very low33.5Very low75 Ų75133.5 Ų133.562%0.6275%0.745SS**PPolyproline II helixtrans-57.3129.6165.800000107.9V127V127-A129 VanDerWaalsContact C-N 3.26Å; V127-A129 PolarHBondContact O-N 3.43Å
130P32.7Very low33.3Very low108 Ų108128.7 Ų128.770%0.70172%0.721SS**PPolyproline II helixtrans-60.7139.4179.824.6-31.7000109R132P130-R132 PolarHBondContact O-N 3.12Å; P130-R132 VanDerWaalsContact O-N 3.1Å
131P33.1Very low32.7Very low120 Ų120127.7 Ų127.778%0.77972%0.715SS**PPolyproline II helixtrans-55.8122.2-176.5-18.628.1000109.7S133P131-S133 PolarHBondContact O-N 3.35Å; P131-S133 VanDerWaalsContact O-N 3.16Å
132R34.9Very low32.2Very low237 Ų237121.7 Ų121.789%0.89469%0.692SS**PPolyproline II helixtrans-52.9121.8168.2-81.9176.5154.9150.1-5.2108.1P130 T134P130-R132 PolarHBondContact O-N 3.12Å; P130-R132 VanDerWaalsContact O-N 3.1Å; R132-T134 PolarHBondContact O-N 3.06Å
133S32.4Very low32.2Very low100 Ų100124.1 Ų124.170%0.69969%0.691SS**  trans-38.8113.1-177570000114.5P131 L135P131-S133 PolarHBondContact O-N 3.35Å; P131-S133 VanDerWaalsContact O-N 3.16Å; S133-L135 VanDerWaalsContact C-N 3.34Å; S133-L135 PolarHBondContact O-N 2.91Å
134T27.1Very low32.2Very low123 Ų123127.6 Ų127.676%0.75570%0.695SS**  trans-88.161.7173.535.80000111.7R132R132-T134 PolarHBondContact O-N 3.06Å
135L34.5Very low32.5Very low100 Ų100126.6 Ų126.652%0.52469%0.688SS.*  trans-117.376.6166.4-72.4172.4000108.3S133 F138S133-L135 VanDerWaalsContact C-N 3.34Å; S133-L135 PolarHBondContact O-N 2.91Å; L135-F138 HydrophobicContact CB-CE2 4.03Å; L135-F138 HydrophobicContact CB-CZ 4.11Å; L135-F138 HydrophobicContact CD1-CZ 4.03Å; L135-F138 HydrophobicContact CD2-CE1 4.37Å; L135-F138 HydrophobicContact CD2-CE2 4.49Å; L135-F138 HydrophobicContact CD2-CZ 3.75Å; L135-F138 HydrophobicContact CG-CZ 4.17Å
136R27.7Very low33Very low242 Ų242122 Ų12291%0.91367%0.668SS**  trans-100.62.3-172.4-81.7-170.2172.4-168.4-2.1115.8
137K30.7Very low34Very low179 Ų179120.4 Ų120.478%0.77866%0.659SS**  trans-163.1118.2169.6-136.7169.2179.2176.60112.4V139K137-V139 HydrophobicContact CG-CG2 4.49Å
138F31.4Very low35.1Very low104 Ų104117.5 Ų117.546%0.45664%0.639SS.*  trans-106.5119.2162.4-63-84000107L135 I242L135-F138 HydrophobicContact CB-CE2 4.03Å; L135-F138 HydrophobicContact CB-CZ 4.11Å; L135-F138 HydrophobicContact CD1-CZ 4.03Å; L135-F138 HydrophobicContact CD2-CE1 4.37Å; L135-F138 HydrophobicContact CD2-CE2 4.49Å; L135-F138 HydrophobicContact CD2-CZ 3.75Å; L135-F138 HydrophobicContact CG-CZ 4.17Å; F138-I242 HydrophobicContact CD2-CD1 4.25Å
139V28.2Very low36.8Very low102 Ų102116 Ų11662%0.61862%0.624SS**  trans-102.2100.8169.3-179.80000106.2K137 T141K137-V139 HydrophobicContact CG-CG2 4.49Å; V139-T141 HydrophobicContact CG1-CG2 4.21Å
140V31.3Very low38.6Very low53 Ų53115.9 Ų115.932%0.32161%0.612SS.*  trans-99.6106174.4-173.70000107.9G142 A236V140-G142 PolarHBondContact O-N 3.24Å; V140-A236 HydrophobicContact CB-CB 4.43Å; V140-A236 HydrophobicContact CG1-CB 3.47Å; V140-A236 VanDerWaalsContact CG1-CB 3.47Å
141T28.5Very low40.7Very low108 Ų108111.1 Ų111.166%0.66358%0.58SS**  trans-90.678.5172.747.20000109.5V139V139-T141 HydrophobicContact CG1-CG2 4.21Å
142G32.1Very low42.9Very low35 Ų35108.4 Ų108.436%0.36156%0.556SS.*PPolyproline II helixtrans-82.1127.4170.400000111V140 Q144V140-G142 PolarHBondContact O-N 3.24Å; G142-Q144 PolarHBondContact O-N 2.86Å
143K33.8Very low44.5Very low163 Ų163100.6 Ų100.671%0.70954%0.535SS*.PPolyproline II helixtrans-63.1127165-78.6-175.8-179.3177.60108.3S100 C145S100-K143 PolarHBondContact OG-NZ 3.43Å; K143-C145 PolarHBondContact O-N 2.76Å
144Q34.6Very low46.6Very low186 Ų18699.7 Ų99.787%0.86952%0.519SS*.PPolyproline II helixtrans-59.3119.8178.5-153.2178.714.700109G142 S146G142-Q144 PolarHBondContact O-N 2.86Å; Q144-S146 PolarHBondContact O-N 2.93Å; Q144-S146 VanDerWaalsContact O-N 3.08Å
145C41.6Very low49Very low103 Ų103102.7 Ų102.770%0.69652%0.516SS*.  trans-61.6114.1163.1-77.10000106.6K143 S147K143-C145 PolarHBondContact O-N 2.76Å; C145-S147 PolarHBondContact O-N 3.09Å
146S46.2Very low51.4Low57 Ų5798 Ų9840%0.39949%0.492SS..  trans-50.9135.3173.351.50000109.6Q144 N148 Q149Q144-S146 PolarHBondContact O-N 2.93Å; Q144-S146 VanDerWaalsContact O-N 3.08Å; S146-N148 PolarHBondContact O-N 2.95Å; S146-Q149 PolarHBondContact O-N 3.39Å
147S53Low54Low72 Ų7288.8 Ų88.850%0.50346%0.464SS..G310 helixtrans-39.9-38.5178.5-170.90000112.9C145 Q149 L150C145-S147 PolarHBondContact O-N 3.09Å; S147-Q149 PolarHBondContact O-N 3.05Å; S147-L150 WeakPolarHBondContact O-CB 3.28Å; S147-L150 WeakPolarHBondContact O-CG 3.47Å; S147-L150 PolarHBondContact O-N 2.96Å; S147-L150 VanDerWaalsContact O-N 3.1Å
148N59.5Low56.5Low81 Ų8183.2 Ų83.243%0.43345%0.452SS..G310 helixtrans-61.2-2.9-179-50.810.6000115.6S146 W151 H166S146-N148 PolarHBondContact O-N 2.95Å; N148-W151 VanDerWaalsContact O-CD1 3.28Å; N148-W151 PolarHBondContact O-NE1 3.09Å; N148-H166 WeakPolarHBondContact O-CB 3.41Å
149Q68.3Low59.2Low87 Ų8778.5 Ų78.541%0.40743%0.431SS..G310 helixtrans-119.64.3177.8-60-163.62800114.1S146 S147 W151 K152S146-Q149 PolarHBondContact O-N 3.39Å; S147-Q149 PolarHBondContact O-N 3.05Å; Q149-W151 PolarHBondContact O-N 3.07Å; Q149-K152 HydrophobicContact CB-CD 4.4Å; Q149-K152 WeakPolarHBondContact O-CB 3.24Å; Q149-K152 PolarHBondContact O-N 3.42Å
150L69Low61.9Low73 Ų7375.9 Ų75.938%0.38242%0.417SS..G310 helixtrans-61.2-31.2-178.6-71.5171.2000112.7S147 K152 T153S147-L150 WeakPolarHBondContact O-CB 3.28Å; S147-L150 WeakPolarHBondContact O-CG 3.47Å; S147-L150 PolarHBondContact O-N 2.96Å; S147-L150 VanDerWaalsContact O-N 3.1Å; L150-K152 PolarHBondContact O-N 3.47Å; L150-K152 VanDerWaalsContact O-N 3.15Å; L150-T153 PolarHBondContact O-N 2.96Å; L150-T153 PolarHBondContact O-OG1 2.84Å
151W77.6Confident64.4Low8 Ų876.7 Ų76.73%0.0343%0.425CS..G310 helixtrans-54-32.4176.261.1-98.5000113.4N148 Q149 T153 K154 W159 D163 W167 H170N148-W151 VanDerWaalsContact O-CD1 3.28Å; N148-W151 PolarHBondContact O-NE1 3.09Å; Q149-W151 PolarHBondContact O-N 3.07Å; W151-T153 PolarHBondContact O-N 3.26Å; W151-K154 PolarHBondContact O-N 3.44Å; W151-W159 HydrophobicContact CB-CD2 4.45Å; W151-W159 HydrophobicContact CB-CZ2 4.3Å; W151-W159 HydrophobicContact CD2-CH2 4.42Å; W151-W159 HydrophobicContact CD2-CZ2 4.45Å; W151-W159 AromaticContact CE3-CH2 3.51Å; W151-W159 HydrophobicContact CE3-CH2 3.51Å; W151-W159 AromaticContact CE3-CZ2 3.55Å; W151-W159 HydrophobicContact CE3-CZ2 3.55Å; W151-W159 HydrophobicContact CE3-CZ3 4.44Å; W151-W159 AromaticContact CZ3-CH2 3.99Å; W151-W159 HydrophobicContact CZ3-CH2 3.99Å; W151-W159 HydrophobicContact CZ3-CZ2 4.29Å; W151-W159 PolarHBondContact O-NE1 3.5Å; W151-W159 VanDerWaalsContact O-NE1 3.1Å; W151-D163 HydrophobicContact CB-CB 3.66Å; W151-W167 HydrophobicContact CD2-CB 4.12Å; W151-W167 HydrophobicContact CE3-CB 4.13Å; W151-W167 HydrophobicContact CE3-CG 4.47Å; W151-W167 HydrophobicContact CH2-CB 4.42Å; W151-W167 AromaticContact CH2-CD1 3.7Å; W151-W167 HydrophobicContact CH2-CG 4.47Å; W151-W167 HydrophobicContact CZ2-CB 4.42Å; W151-W167 HydrophobicContact CZ3-CB 4.28Å; W151-W167 AromaticContact CZ3-CD1 3.52Å; W151-W167 HydrophobicContact CZ3-CG 4.25Å; W151-H170 HydrophobicContact CH2-CB 4.06Å; W151-H170 AromaticContact CH2-CG 3.77Å; W151-H170 AromaticContact CH2-ND1 3.94Å; W151-H170 HydrophobicContact CZ2-CB 3.57Å; W151-H170 AromaticContact CZ2-CD2 3.84Å; W151-H170 AromaticContact CZ2-CG 3.64Å
152K78.4Confident66.9Low63 Ų6377.1 Ų77.127%0.27442%0.42SS..G310 helixtrans-60.1-22.1177.2-66.7-178.8179.3175.50113.3Q149 L150 R223Q149-K152 HydrophobicContact CB-CD 4.4Å; Q149-K152 WeakPolarHBondContact O-CB 3.24Å; Q149-K152 PolarHBondContact O-N 3.42Å; L150-K152 PolarHBondContact O-N 3.47Å; L150-K152 VanDerWaalsContact O-N 3.15Å; K152-R223 PolarHBondContact O-NH2 3.08Å
153T69.3Low69.5Low74 Ų7475.9 Ų75.945%0.45441%0.405SS..THydrogen-bonded Turntrans-98.4-26-177.467.90000113.6L150 W151 R223L150-T153 PolarHBondContact O-N 2.96Å; L150-T153 PolarHBondContact O-OG1 2.84Å; W151-T153 PolarHBondContact O-N 3.26Å; T153-R223 PolarHBondContact O-NH1 3.43Å
154K75.7Confident71.9Confident81 Ų8168.3 Ų68.335%0.35237%0.372SS..SBendtrans-76.1158-178.4-65.1176.2-178.9168.40111.8W151 D163W151-K154 PolarHBondContact O-N 3.44Å; K154-D163 IonicContact NZ-OD1 3.9Å; K154-D163 PolarHBondContact NZ-OD1 2.69Å; K154-D163 IonicContact NZ-OD2 3.27Å; K154-D163 PolarHBondContact NZ-OD2 2.86Å
155R78.4Confident74.1Confident185 Ų18564.8 Ų64.870%0.69835%0.352SS*.  trans-72.4147.8166.9-70-173.6176.5-179.10.3109S157 A158R155-S157 VanDerWaalsContact C-N 3.33Å; R155-S157 PolarHBondContact O-N 3.31Å; R155-A158 HydrophobicContact CB-CB 4.49Å; R155-A158 WeakPolarHBondContact O-CA 3.39Å; R155-A158 WeakPolarHBondContact O-CB 3.3Å; R155-A158 PolarHBondContact O-N 3.44Å
156L83.7Confident76.1Confident2 Ų260.8 Ų60.81%0.0132%0.323CS..G310 helixtrans-54.7-48.2-179.4-17557.8000111.4A158 W159 G184 L187 E188 V216 R217L156-A158 PolarHBondContact O-N 3.43Å; L156-W159 HydrophobicContact CD1-CD2 3.77Å; L156-W159 HydrophobicContact CD1-CE3 3.64Å; L156-W159 HydrophobicContact CD1-CG 4.36Å; L156-W159 HydrophobicContact CD1-CH2 4.25Å; L156-W159 HydrophobicContact CD1-CZ2 4.35Å; L156-W159 HydrophobicContact CD1-CZ3 3.89Å; L156-W159 WeakPolarHBondContact O-CB 3.42Å; L156-W159 PolarHBondContact O-N 3.14Å; L156-G184 CarbonylContact O-C 3.59Å; L156-G184 WeakPolarHBondContact O-CA 3.42Å; L156-L187 HydrophobicContact CD1-CB 4.01Å; L156-L187 HydrophobicContact CD1-CD2 4.11Å; L156-L187 HydrophobicContact CD2-CB 4.38Å; L156-L187 HydrophobicContact CG-CB 4.37Å; L156-E188 HydrophobicContact CB-CG 4.47Å; L156-E188 HydrophobicContact CD2-CG 3.73Å; L156-E188 HydrophobicContact CG-CG 4.04Å; L156-V216 HydrophobicContact CB-CG1 4.29Å; L156-V216 HydrophobicContact CD1-CG1 4.07Å; L156-R217 HydrophobicContact CD2-CG 3.76Å
157S82.9Confident78Confident48 Ų4858.1 Ų58.134%0.33630%0.304SS..G310 helixtrans-56.8-15.4173.2530000116.8R155 E188R155-S157 VanDerWaalsContact C-N 3.33Å; R155-S157 PolarHBondContact O-N 3.31Å; S157-E188 WeakPolarHBondContact CB-OE1 3.45Å; S157-E188 PolarHBondContact N-OE1 2.96Å
158A83.7Confident79.5Confident62 Ų6255.2 Ų55.251%0.51228%0.283SS..G310 helixtrans-103.68.2177.800000113.1R155 L156R155-A158 HydrophobicContact CB-CB 4.49Å; R155-A158 WeakPolarHBondContact O-CA 3.39Å; R155-A158 WeakPolarHBondContact O-CB 3.3Å; R155-A158 PolarHBondContact O-N 3.44Å; L156-A158 PolarHBondContact O-N 3.43Å
159W87.6Confident80.6Confident5 Ų555.5 Ų55.52%0.01928%0.281CS..  trans-75.7129.1176.3-71.413.1000110.7W151 L156 D163 I164 W167 G184 L187 V216W151-W159 HydrophobicContact CB-CD2 4.45Å; W151-W159 HydrophobicContact CB-CZ2 4.3Å; W151-W159 HydrophobicContact CD2-CH2 4.42Å; W151-W159 HydrophobicContact CD2-CZ2 4.45Å; W151-W159 AromaticContact CE3-CH2 3.51Å; W151-W159 HydrophobicContact CE3-CH2 3.51Å; W151-W159 AromaticContact CE3-CZ2 3.55Å; W151-W159 HydrophobicContact CE3-CZ2 3.55Å; W151-W159 HydrophobicContact CE3-CZ3 4.44Å; W151-W159 AromaticContact CZ3-CH2 3.99Å; W151-W159 HydrophobicContact CZ3-CH2 3.99Å; W151-W159 HydrophobicContact CZ3-CZ2 4.29Å; W151-W159 PolarHBondContact O-NE1 3.5Å; W151-W159 VanDerWaalsContact O-NE1 3.1Å; L156-W159 HydrophobicContact CD1-CD2 3.77Å; L156-W159 HydrophobicContact CD1-CE3 3.64Å; L156-W159 HydrophobicContact CD1-CG 4.36Å; L156-W159 HydrophobicContact CD1-CH2 4.25Å; L156-W159 HydrophobicContact CD1-CZ2 4.35Å; L156-W159 HydrophobicContact CD1-CZ3 3.89Å; L156-W159 WeakPolarHBondContact O-CB 3.42Å; L156-W159 PolarHBondContact O-N 3.14Å; W159-D163 HydrophobicContact CB-CB 3.85Å; W159-D163 HydrophobicContact CD2-CB 4.39Å; W159-D163 HydrophobicContact CG-CB 4.01Å; W159-I164 HydrophobicContact CB-CG1 4.27Å; W159-I164 HydrophobicContact CE3-CG1 4.02Å; W159-W167 HydrophobicContact CE3-CB 4.45Å; W159-W167 HydrophobicContact CH2-CB 3.96Å; W159-W167 AromaticContact CH2-CD1 3.84Å; W159-W167 HydrophobicContact CH2-CD2 4.3Å; W159-W167 AromaticContact CH2-CG 3.73Å; W159-W167 HydrophobicContact CH2-CG 3.73Å; W159-W167 HydrophobicContact CZ3-CB 3.58Å; W159-W167 AromaticContact CZ3-CD2 3.8Å; W159-W167 HydrophobicContact CZ3-CD2 3.8Å; W159-W167 HydrophobicContact CZ3-CE3 4.21Å; W159-W167 AromaticContact CZ3-CG 3.49Å; W159-W167 HydrophobicContact CZ3-CG 3.49Å; W159-W167 VanDerWaalsContact CZ3-CG 3.49Å; W159-G184 PolarHBondContact O-N 3.14Å; W159-L187 HydrophobicContact CE3-CD2 4.22Å; W159-L187 HydrophobicContact CZ3-CD2 4.32Å; W159-V216 HydrophobicContact CH2-CB 4.46Å; W159-V216 HydrophobicContact CH2-CG1 3.76Å; W159-V216 HydrophobicContact CH2-CG2 3.95Å; W159-V216 HydrophobicContact CZ2-CG1 3.59Å; W159-V216 HydrophobicContact CZ2-CG2 4.36Å
160S85Confident81.2Confident48 Ų4856 Ų5634%0.33628%0.284SS..  trans-77168.4166.561.10000111.2E162 D163 I164S160-E162 PolarHBondContact O-N 3.33Å; S160-D163 PolarHBondContact N-OD2 3.34Å; S160-D163 WeakPolarHBondContact O-CB 3.49Å; S160-D163 PolarHBondContact O-N 3.34Å; S160-D163 VanDerWaalsContact O-N 3.11Å; S160-D163 VanDerWaalsContact OG-CG 3.26Å; S160-D163 PolarHBondContact OG-N 2.75Å; S160-D163 PolarHBondContact OG-OD2 2.88Å; S160-I164 WeakPolarHBondContact O-CG1 3.28Å; S160-I164 PolarHBondContact O-N 3.08Å
161S82.7Confident81.8Confident70 Ų7053.3 Ų53.349%0.4927%0.27SS..Hα-helixtrans-56.2-36.517251.20000112.2I164 Y165S161-I164 PolarHBondContact O-N 3.38Å; S161-Y165 WeakPolarHBondContact O-CB 3.26Å; S161-Y165 PolarHBondContact O-N 2.93Å
162E82.9Confident81.7Confident117 Ų11759.8 Ų59.855%0.54731%0.305SS..Hα-helixtrans-66.8-40.8174.9-172.7176.7-163.300112.4S160 I164 Y165 H166S160-E162 PolarHBondContact O-N 3.33Å; E162-I164 VanDerWaalsContact C-N 3.29Å; E162-I164 PolarHBondContact O-N 3.04Å; E162-Y165 PolarHBondContact O-N 2.84Å; E162-H166 PolarHBondContact O-CD2 3.35Å; E162-H166 VanDerWaalsContact O-CD2 3.22Å; E162-H166 PolarHBondContact O-N 3.36Å; E162-H166 IonicContact OE1-NE2 3.9Å
163D84.7Confident81.4Confident8 Ų858.4 Ų58.44%0.04330%0.301CS..Hα-helixtrans-61.2-39.4174.3-69-60.4000111.2W151 K154 W159 S160 W167W151-D163 HydrophobicContact CB-CB 3.66Å; K154-D163 IonicContact NZ-OD1 3.9Å; K154-D163 PolarHBondContact NZ-OD1 2.69Å; K154-D163 IonicContact NZ-OD2 3.27Å; K154-D163 PolarHBondContact NZ-OD2 2.86Å; W159-D163 HydrophobicContact CB-CB 3.85Å; W159-D163 HydrophobicContact CD2-CB 4.39Å; W159-D163 HydrophobicContact CG-CB 4.01Å; S160-D163 PolarHBondContact N-OD2 3.34Å; S160-D163 WeakPolarHBondContact O-CB 3.49Å; S160-D163 PolarHBondContact O-N 3.34Å; S160-D163 VanDerWaalsContact O-N 3.11Å; S160-D163 VanDerWaalsContact OG-CG 3.26Å; S160-D163 PolarHBondContact OG-N 2.75Å; S160-D163 PolarHBondContact OG-OD2 2.88Å; D163-W167 WeakPolarHBondContact O-CB 3.49Å; D163-W167 PolarHBondContact O-N 2.99Å
164I84.4Confident81.1Confident5 Ų562.1 Ų62.13%0.02632%0.318CS..Hα-helixtrans-68-44177.2-66.6159.9000110.7W159 S160 S161 E162 H166 W167 L168 F182 L187W159-I164 HydrophobicContact CB-CG1 4.27Å; W159-I164 HydrophobicContact CE3-CG1 4.02Å; S160-I164 WeakPolarHBondContact O-CG1 3.28Å; S160-I164 PolarHBondContact O-N 3.08Å; S161-I164 PolarHBondContact O-N 3.38Å; E162-I164 VanDerWaalsContact C-N 3.29Å; E162-I164 PolarHBondContact O-N 3.04Å; I164-H166 VanDerWaalsContact C-N 3.34Å; I164-H166 PolarHBondContact O-N 3.44Å; I164-W167 HydrophobicContact CG2-CE3 4.43Å; I164-W167 WeakPolarHBondContact O-CB 3.42Å; I164-W167 PolarHBondContact O-N 3.5Å; I164-W167 VanDerWaalsContact O-N 3.14Å; I164-L168 HydrophobicContact CG2-CD1 4.06Å; I164-L168 HydrophobicContact CG2-CG 4.41Å; I164-L168 WeakPolarHBondContact O-CG 3.46Å; I164-L168 PolarHBondContact O-N 3.49Å; I164-F182 HydrophobicContact CD1-CB 3.96Å; I164-F182 WeakPolarHBondContact CD1-O 3.48Å; I164-L187 HydrophobicContact CD1-CD1 3.53Å; I164-L187 HydrophobicContact CD1-CD2 4.31Å; I164-L187 HydrophobicContact CG1-CD1 4.01Å; I164-L187 HydrophobicContact CG1-CD2 3.86Å; I164-L187 HydrophobicContact CG2-CD1 4.36Å; I164-L187 HydrophobicContact CG2-CD2 4.21Å
165Y82.2Confident80.1Confident112 Ų11260.1 Ų60.144%0.43932%0.317SS..Hα-helixtrans-58.2-46.6175.9-178.6-95000111.5S161 E162 W167 L168 Q169 A175S161-Y165 WeakPolarHBondContact O-CB 3.26Å; S161-Y165 PolarHBondContact O-N 2.93Å; E162-Y165 PolarHBondContact O-N 2.84Å; Y165-W167 VanDerWaalsContact C-N 3.32Å; Y165-W167 PolarHBondContact O-N 3.35Å; Y165-L168 PolarHBondContact O-N 3.36Å; Y165-Q169 HydrophobicContact CD1-CG 4.33Å; Y165-Q169 HydrophobicContact CE1-CG 4.02Å; Y165-Q169 WeakPolarHBondContact O-CG 3.32Å; Y165-Q169 PolarHBondContact O-N 3.05Å; Y165-Q169 PolarHBondContact OH-NE2 3.4Å; Y165-A175 HydrophobicContact CD2-CB 3.54Å; Y165-A175 HydrophobicContact CE2-CB 3.15Å
166H82.7Confident79Confident19 Ų1956 Ų569%0.08832%0.316CS..Hα-helixtrans-66.1-33175.4-73-45.1000113.5N148 E162 I164 Q169 H170N148-H166 WeakPolarHBondContact O-CB 3.41Å; E162-H166 PolarHBondContact O-CD2 3.35Å; E162-H166 VanDerWaalsContact O-CD2 3.22Å; E162-H166 PolarHBondContact O-N 3.36Å; E162-H166 IonicContact OE1-NE2 3.9Å; I164-H166 VanDerWaalsContact C-N 3.34Å; I164-H166 PolarHBondContact O-N 3.44Å; H166-Q169 PolarHBondContact ND1-OE1 2.85Å; H166-H170 WeakPolarHBondContact O-CB 3.28Å; H166-H170 PolarHBondContact O-N 3.22Å
167W87.1Confident78Confident0 Ų057.4 Ų57.40%032%0.324CS..Hα-helixtrans-65.5-45.7171.4170.366000111.3W151 W159 D163 I164 Y165 Q169 H170 V171 L187 W190 L209 E212 L213W151-W167 HydrophobicContact CD2-CB 4.12Å; W151-W167 HydrophobicContact CE3-CB 4.13Å; W151-W167 HydrophobicContact CE3-CG 4.47Å; W151-W167 HydrophobicContact CH2-CB 4.42Å; W151-W167 AromaticContact CH2-CD1 3.7Å; W151-W167 HydrophobicContact CH2-CG 4.47Å; W151-W167 HydrophobicContact CZ2-CB 4.42Å; W151-W167 HydrophobicContact CZ3-CB 4.28Å; W151-W167 AromaticContact CZ3-CD1 3.52Å; W151-W167 HydrophobicContact CZ3-CG 4.25Å; W159-W167 HydrophobicContact CE3-CB 4.45Å; W159-W167 HydrophobicContact CH2-CB 3.96Å; W159-W167 AromaticContact CH2-CD1 3.84Å; W159-W167 HydrophobicContact CH2-CD2 4.3Å; W159-W167 AromaticContact CH2-CG 3.73Å; W159-W167 HydrophobicContact CH2-CG 3.73Å; W159-W167 HydrophobicContact CZ3-CB 3.58Å; W159-W167 AromaticContact CZ3-CD2 3.8Å; W159-W167 HydrophobicContact CZ3-CD2 3.8Å; W159-W167 HydrophobicContact CZ3-CE3 4.21Å; W159-W167 AromaticContact CZ3-CG 3.49Å; W159-W167 HydrophobicContact CZ3-CG 3.49Å; W159-W167 VanDerWaalsContact CZ3-CG 3.49Å; D163-W167 WeakPolarHBondContact O-CB 3.49Å; D163-W167 PolarHBondContact O-N 2.99Å; I164-W167 HydrophobicContact CG2-CE3 4.43Å; I164-W167 WeakPolarHBondContact O-CB 3.42Å; I164-W167 PolarHBondContact O-N 3.5Å; I164-W167 VanDerWaalsContact O-N 3.14Å; Y165-W167 VanDerWaalsContact C-N 3.32Å; Y165-W167 PolarHBondContact O-N 3.35Å; W167-Q169 VanDerWaalsContact C-N 3.34Å; W167-Q169 PolarHBondContact O-N 2.78Å; W167-H170 WeakPolarHBondContact O-CA 3.47Å; W167-H170 WeakPolarHBondContact O-CB 3.28Å; W167-H170 PolarHBondContact O-N 2.87Å; W167-V171 HydrophobicContact CD2-CG2 4.37Å; W167-V171 HydrophobicContact CZ2-CG2 4.17Å; W167-V171 VanDerWaalsContact O-CG2 3.28Å; W167-V171 WeakPolarHBondContact O-CG2 3.36Å; W167-V171 PolarHBondContact O-N 3.24Å; W167-L187 HydrophobicContact CE3-CD2 4.01Å; W167-L187 HydrophobicContact CZ3-CD2 3.85Å; W167-W190 HydrophobicContact CZ3-CZ3 4.28Å; W167-L209 HydrophobicContact CH2-CD2 3.66Å; W167-L209 HydrophobicContact CZ2-CD2 4.33Å; W167-L209 HydrophobicContact CZ3-CD2 4.2Å; W167-E212 HydrophobicContact CZ2-CB 4.05Å; W167-L213 HydrophobicContact CH2-CD1 4.09Å; W167-L213 HydrophobicContact CH2-CD2 3.47Å; W167-L213 VanDerWaalsContact CH2-CD2 3.47Å; W167-L213 HydrophobicContact CH2-CG 3.48Å; W167-L213 VanDerWaalsContact CH2-CG 3.48Å; W167-L213 HydrophobicContact CZ2-CD2 3.71Å; W167-L213 HydrophobicContact CZ2-CG 3.69Å; W167-L213 HydrophobicContact CZ3-CD2 4.09Å; W167-L213 HydrophobicContact CZ3-CG 4.5Å
168L84.9Confident76.7Confident11 Ų1159.1 Ų59.16%0.05833%0.333CS..Hα-helixtrans-60.6-42.4176.7-69.6168000112.2I164 Y165 H170 V171 N172 L173 L177 L209I164-L168 HydrophobicContact CG2-CD1 4.06Å; I164-L168 HydrophobicContact CG2-CG 4.41Å; I164-L168 WeakPolarHBondContact O-CG 3.46Å; I164-L168 PolarHBondContact O-N 3.49Å; Y165-L168 PolarHBondContact O-N 3.36Å; L168-H170 VanDerWaalsContact C-N 3.29Å; L168-H170 PolarHBondContact O-N 3.33Å; L168-V171 CarbonylContact O-C 3.47Å; L168-V171 PolarHBondContact O-N 3.1Å; L168-V171 VanDerWaalsContact O-N 3.09Å; L168-N172 PolarHBondContact O-N 3.17Å; L168-L173 HydrophobicContact CD2-CD1 4.49Å; L168-L173 PolarHBondContact O-N 2.96Å; L168-L173 VanDerWaalsContact O-N 3.1Å; L168-L177 HydrophobicContact CD1-CD1 3.72Å; L168-L177 HydrophobicContact CD1-CG 4.41Å; L168-L177 HydrophobicContact CD2-CD1 4.02Å; L168-L209 HydrophobicContact CD2-CD2 3.9Å
169Q82.1Confident75.3Confident87 Ų8760.2 Ų60.241%0.40735%0.351SS..Hα-helixtrans-58.7-40.6172.3-74.1-174.3-30.900112.1Y165 H166 W167 V171 N172Y165-Q169 HydrophobicContact CD1-CG 4.33Å; Y165-Q169 HydrophobicContact CE1-CG 4.02Å; Y165-Q169 WeakPolarHBondContact O-CG 3.32Å; Y165-Q169 PolarHBondContact O-N 3.05Å; Y165-Q169 PolarHBondContact OH-NE2 3.4Å; H166-Q169 PolarHBondContact ND1-OE1 2.85Å; W167-Q169 VanDerWaalsContact C-N 3.34Å; W167-Q169 PolarHBondContact O-N 2.78Å; Q169-V171 VanDerWaalsContact C-N 3.29Å; Q169-V171 PolarHBondContact O-N 3.07Å; Q169-N172 WeakPolarHBondContact O-CA 3.21Å; Q169-N172 PolarHBondContact O-N 3.25Å
170H81.2Confident73.9Confident98 Ų9862.6 Ų62.645%0.45437%0.368SS..Hα-helixtrans-67.1-31.9176.2175-77000112.7W151 H166 W167 L168 N172W151-H170 HydrophobicContact CH2-CB 4.06Å; W151-H170 AromaticContact CH2-CG 3.77Å; W151-H170 AromaticContact CH2-ND1 3.94Å; W151-H170 HydrophobicContact CZ2-CB 3.57Å; W151-H170 AromaticContact CZ2-CD2 3.84Å; W151-H170 AromaticContact CZ2-CG 3.64Å; H166-H170 WeakPolarHBondContact O-CB 3.28Å; H166-H170 PolarHBondContact O-N 3.22Å; W167-H170 WeakPolarHBondContact O-CA 3.47Å; W167-H170 WeakPolarHBondContact O-CB 3.28Å; W167-H170 PolarHBondContact O-N 2.87Å; L168-H170 VanDerWaalsContact C-N 3.29Å; L168-H170 PolarHBondContact O-N 3.33Å; H170-N172 PolarHBondContact O-N 2.91Å
171V80.7Confident73.2Confident16 Ų1668.7 Ų68.710%0.09739%0.391CS..THydrogen-bonded Turntrans-75.6-2.3174.1-176.80000111.3W167 L168 Q169 L173 L208 L209 E212W167-V171 HydrophobicContact CD2-CG2 4.37Å; W167-V171 HydrophobicContact CZ2-CG2 4.17Å; W167-V171 VanDerWaalsContact O-CG2 3.28Å; W167-V171 WeakPolarHBondContact O-CG2 3.36Å; W167-V171 PolarHBondContact O-N 3.24Å; L168-V171 CarbonylContact O-C 3.47Å; L168-V171 PolarHBondContact O-N 3.1Å; L168-V171 VanDerWaalsContact O-N 3.09Å; Q169-V171 VanDerWaalsContact C-N 3.29Å; Q169-V171 PolarHBondContact O-N 3.07Å; V171-L173 HydrophobicContact CB-CD1 4.31Å; V171-L173 HydrophobicContact CB-CG 4.47Å; V171-L173 HydrophobicContact CG1-CD1 3.63Å; V171-L173 HydrophobicContact CG1-CG 3.99Å; V171-L173 PolarHBondContact O-N 2.92Å; V171-L208 HydrophobicContact CG1-CD2 3.11Å; V171-L209 HydrophobicContact CG1-CD2 4.42Å; V171-E212 HydrophobicContact CG1-CG 4.41Å; V171-E212 HydrophobicContact CG2-CB 4.17Å; V171-E212 HydrophobicContact CG2-CG 4.09Å
172N76.2Confident72.9Confident145 Ų14566.5 Ų66.578%0.77537%0.373SS*.THydrogen-bonded Turntrans60.234.9-177.4-158.543.8000112.7L168 Q169 H170L168-N172 PolarHBondContact O-N 3.17Å; Q169-N172 WeakPolarHBondContact O-CA 3.21Å; Q169-N172 PolarHBondContact O-N 3.25Å; H170-N172 PolarHBondContact O-N 2.91Å
173L71.3Confident72.8Confident33 Ų3365.5 Ų65.517%0.17337%0.37CS..  trans-101.6121.5171.8-66.4169.9000108L168 V171 A175 I205 L209L168-L173 HydrophobicContact CD2-CD1 4.49Å; L168-L173 PolarHBondContact O-N 2.96Å; L168-L173 VanDerWaalsContact O-N 3.1Å; V171-L173 HydrophobicContact CB-CD1 4.31Å; V171-L173 HydrophobicContact CB-CG 4.47Å; V171-L173 HydrophobicContact CG1-CD1 3.63Å; V171-L173 HydrophobicContact CG1-CG 3.99Å; V171-L173 PolarHBondContact O-N 2.92Å; L173-A175 PolarHBondContact O-N 3.14Å; L173-A175 VanDerWaalsContact O-N 3.16Å; L173-I205 HydrophobicContact CD1-CG2 4.03Å; L173-I205 HydrophobicContact CD2-CD1 4.29Å; L173-I205 HydrophobicContact CD2-CG1 4.26Å; L173-I205 HydrophobicContact CD2-CG2 3.58Å; L173-I205 HydrophobicContact CG-CG2 4.48Å; L173-L209 HydrophobicContact CD1-CD1 3.99Å; L173-L209 HydrophobicContact CD1-CD2 3.32Å; L173-L209 HydrophobicContact CD1-CG 3.53Å
174D63.5Low72.6Confident152 Ų15265.1 Ų65.181%0.81337%0.368SS*.  trans-57.1123169.7-75.8-32000107.4S176D174-S176 PolarHBondContact O-N 2.95Å
175A54.9Low72.5Confident40 Ų4071.5 Ų71.533%0.33140%0.396SS..SBendtrans-71.337.8-163.300000114.7Y165 L173 L177Y165-A175 HydrophobicContact CD2-CB 3.54Å; Y165-A175 HydrophobicContact CE2-CB 3.15Å; L173-A175 PolarHBondContact O-N 3.14Å; L173-A175 VanDerWaalsContact O-N 3.16Å; A175-L177 VanDerWaalsContact C-N 3.32Å; A175-L177 PolarHBondContact O-N 3.45Å
176S55.6Low72.5Confident98 Ų9869.6 Ų69.669%0.68539%0.393SS*.  trans-95.145.2175.460.40000111.3D174 P178D174-S176 PolarHBondContact O-N 2.95Å; S176-P178 VanDerWaalsContact O-CD 3.24Å; S176-P178 WeakPolarHBondContact O-CD 3.12Å
177L62.4Low72.6Confident32 Ų3268.7 Ų68.717%0.16839%0.389CS..  trans-64.1115.7157.4-76.9175.3000106.1L168 A175 G179 F182 W190 V200L168-L177 HydrophobicContact CD1-CD1 3.72Å; L168-L177 HydrophobicContact CD1-CG 4.41Å; L168-L177 HydrophobicContact CD2-CD1 4.02Å; A175-L177 VanDerWaalsContact C-N 3.32Å; A175-L177 PolarHBondContact O-N 3.45Å; L177-G179 PolarHBondContact O-N 3.36Å; L177-G179 VanDerWaalsContact O-N 3.14Å; L177-F182 HydrophobicContact CB-CE2 4.09Å; L177-F182 HydrophobicContact CD1-CE2 4.15Å; L177-W190 HydrophobicContact CD1-CH2 3.6Å; L177-W190 HydrophobicContact CD1-CZ3 4.12Å; L177-V200 HydrophobicContact CD2-CG2 3.51Å
178P54.5Low72.4Confident83 Ų8372.8 Ų72.854%0.53941%0.408SS..  trans-68.3115.1-170.225.8-32.6000111S176 L198S176-P178 VanDerWaalsContact O-CD 3.24Å; S176-P178 WeakPolarHBondContact O-CD 3.12Å; P178-L198 WeakPolarHBondContact CD-O 3.33Å; P178-L198 WeakPolarHBondContact CG-O 3.44Å
179G54.6Low72.3Confident85 Ų8578.5 Ų78.588%0.87644%0.439SS*.SBendtrans89.210.214000000119.4L177L177-G179 PolarHBondContact O-N 3.36Å; L177-G179 VanDerWaalsContact O-N 3.14Å
180S59.2Low72.5Confident55 Ų5574.7 Ų74.739%0.38542%0.421SS..  trans-137.8133.9174.346.70000113.6F182S180-F182 VanDerWaalsContact C-N 3.33Å; S180-F182 WeakPolarHBondContact O-CD2 3.13Å; S180-F182 WeakPolarHBondContact O-CE2 3.4Å; S180-F182 PolarHBondContact O-N 3.4Å; S180-F182 WeakPolarHBondContact OG-CE1 3.49Å; S180-F182 VanDerWaalsContact OG-CE2 3.32Å; S180-F182 WeakPolarHBondContact OG-CE2 3.27Å; S180-F182 WeakPolarHBondContact OG-CZ 3.3Å
181E69.9Low72.7Confident177 Ų17773 Ų7383%0.82742%0.415SS*.  trans-69.491.8166.9-67.6-177.3176.900108.4
182F76.6Confident73Confident23 Ų2375.6 Ų75.610%0.10143%0.428CS..  trans-73.7142174.8-58.8-73.3000110.5I164 L177 S180 D186 L187 W190 L198I164-F182 HydrophobicContact CD1-CB 3.96Å; I164-F182 WeakPolarHBondContact CD1-O 3.48Å; L177-F182 HydrophobicContact CB-CE2 4.09Å; L177-F182 HydrophobicContact CD1-CE2 4.15Å; S180-F182 VanDerWaalsContact C-N 3.33Å; S180-F182 WeakPolarHBondContact O-CD2 3.13Å; S180-F182 WeakPolarHBondContact O-CE2 3.4Å; S180-F182 PolarHBondContact O-N 3.4Å; S180-F182 WeakPolarHBondContact OG-CE1 3.49Å; S180-F182 VanDerWaalsContact OG-CE2 3.32Å; S180-F182 WeakPolarHBondContact OG-CE2 3.27Å; S180-F182 WeakPolarHBondContact OG-CZ 3.3Å; F182-D186 HydrophobicContact CD1-CB 4.45Å; F182-L187 HydrophobicContact CB-CD1 3.89Å; F182-W190 HydrophobicContact CB-CZ2 4.34Å; F182-W190 AromaticContact CD1-CZ2 3.63Å; F182-W190 HydrophobicContact CD1-CZ2 3.63Å; F182-W190 HydrophobicContact CD2-CH2 4.34Å; F182-W190 AromaticContact CD2-CZ2 3.96Å; F182-W190 HydrophobicContact CD2-CZ2 3.96Å; F182-W190 AromaticContact CE1-CZ2 3.74Å; F182-W190 HydrophobicContact CE1-CZ2 3.74Å; F182-W190 HydrophobicContact CE2-CH2 4.41Å; F182-W190 HydrophobicContact CE2-CZ2 4.1Å; F182-W190 HydrophobicContact CG-CH2 4.47Å; F182-W190 AromaticContact CG-CZ2 3.71Å; F182-W190 HydrophobicContact CG-CZ2 3.71Å; F182-W190 AromaticContact CZ-CZ2 3.95Å; F182-W190 HydrophobicContact CZ-CZ2 3.95Å; F182-L198 HydrophobicContact CE1-CD1 3.69Å; F182-L198 HydrophobicContact CE1-CD2 3.77Å; F182-L198 HydrophobicContact CE1-CG 4.37Å; F182-L198 HydrophobicContact CZ-CD1 3.53Å; F182-L198 HydrophobicContact CZ-CD2 3.55Å; F182-L198 HydrophobicContact CZ-CG 4.11Å
183I81Confident73.5Confident96 Ų9675 Ų7549%0.49242%0.421SS..  trans-106.7153.9167.6-58.7173.9000107.5K185 D186I183-K185 PolarHBondContact O-N 3.22Å; I183-D186 PolarHBondContact N-OD2 2.89Å; I183-D186 WeakPolarHBondContact O-CB 3.35Å; I183-D186 PolarHBondContact O-N 3.31Å
184G80.4Confident74.2Confident0 Ų075.4 Ų75.40%043%0.425CS..THydrogen-bonded Turntrans-54.8-23-179.400000115.3L156 W159 L187L156-G184 CarbonylContact O-C 3.59Å; L156-G184 WeakPolarHBondContact O-CA 3.42Å; W159-G184 PolarHBondContact O-N 3.14Å; G184-L187 PolarHBondContact O-N 3.41Å
185K82Confident75.2Confident140 Ų14068.2 Ų68.261%0.60939%0.386SS*.THydrogen-bonded Turntrans-65.7-36.8171.8-70.2-174.1179179.50112.7I183 L187 E188I183-K185 PolarHBondContact O-N 3.22Å; K185-L187 VanDerWaalsContact C-N 3.29Å; K185-L187 PolarHBondContact O-N 3.34Å; K185-E188 WeakPolarHBondContact O-CB 3.3Å; K185-E188 PolarHBondContact O-N 3.22Å
186D82.7Confident76.7Confident71 Ų7169.4 Ų69.438%0.3839%0.389SS..Hα-helixtrans-67-38.4179.6-53.1-40.8000110.1F182 I183 E188 N189 W190F182-D186 HydrophobicContact CD1-CB 4.45Å; I183-D186 PolarHBondContact N-OD2 2.89Å; I183-D186 WeakPolarHBondContact O-CB 3.35Å; I183-D186 PolarHBondContact O-N 3.31Å; D186-E188 PolarHBondContact O-N 2.92Å; D186-N189 PolarHBondContact O-N 3.3Å; D186-W190 PolarHBondContact O-N 2.99Å; D186-W190 PolarHBondContact O-NE1 3.17Å
187L84.5Confident78Confident0 Ų072.6 Ų72.60%039%0.394CS..Hα-helixtrans-64.4-17.4176.3-82.171.6000113.3L156 W159 I164 W167 F182 G184 K185 N189 W190 L213 R217L156-L187 HydrophobicContact CD1-CB 4.01Å; L156-L187 HydrophobicContact CD1-CD2 4.11Å; L156-L187 HydrophobicContact CD2-CB 4.38Å; L156-L187 HydrophobicContact CG-CB 4.37Å; W159-L187 HydrophobicContact CE3-CD2 4.22Å; W159-L187 HydrophobicContact CZ3-CD2 4.32Å; I164-L187 HydrophobicContact CD1-CD1 3.53Å; I164-L187 HydrophobicContact CD1-CD2 4.31Å; I164-L187 HydrophobicContact CG1-CD1 4.01Å; I164-L187 HydrophobicContact CG1-CD2 3.86Å; I164-L187 HydrophobicContact CG2-CD1 4.36Å; I164-L187 HydrophobicContact CG2-CD2 4.21Å; W167-L187 HydrophobicContact CE3-CD2 4.01Å; W167-L187 HydrophobicContact CZ3-CD2 3.85Å; F182-L187 HydrophobicContact CB-CD1 3.89Å; G184-L187 PolarHBondContact O-N 3.41Å; K185-L187 VanDerWaalsContact C-N 3.29Å; K185-L187 PolarHBondContact O-N 3.34Å; L187-N189 VanDerWaalsContact C-N 3.28Å; L187-W190 HydrophobicContact CD1-CH2 4.12Å; L187-W190 HydrophobicContact CD1-CZ2 3.69Å; L187-W190 HydrophobicContact CG-CD2 4.15Å; L187-W190 HydrophobicContact CG-CE3 4.32Å; L187-W190 HydrophobicContact CG-CH2 4.14Å; L187-W190 HydrophobicContact CG-CZ2 3.99Å; L187-W190 HydrophobicContact CG-CZ3 4.31Å; L187-L213 HydrophobicContact CB-CD2 4.18Å; L187-L213 HydrophobicContact CD2-CD2 3.96Å; L187-L213 HydrophobicContact CG-CD2 4.3Å; L187-R217 PolarHBondContact O-NE 3.07Å; L187-R217 PolarHBondContact O-NH2 3.11Å
188E81.8Confident78.9Confident87 Ų8772.6 Ų72.641%0.40739%0.394SS..Hα-helixtrans-70.7-27.3173.7-74.1-179.6177.700111.8L156 S157 K185 D186 R217L156-E188 HydrophobicContact CB-CG 4.47Å; L156-E188 HydrophobicContact CD2-CG 3.73Å; L156-E188 HydrophobicContact CG-CG 4.04Å; S157-E188 WeakPolarHBondContact CB-OE1 3.45Å; S157-E188 PolarHBondContact N-OE1 2.96Å; K185-E188 WeakPolarHBondContact O-CB 3.3Å; K185-E188 PolarHBondContact O-N 3.22Å; D186-E188 PolarHBondContact O-N 2.92Å; E188-R217 PolarHBondContact O-NE 3.38Å; E188-R217 PolarHBondContact O-NH2 3.3Å
189N82.7Confident80.2Confident131 Ų13170.7 Ų70.770%0.70139%0.389SS*.Hα-helixtrans-101.6-2.3-176.9-65.3-26000114D186 L187 N191D186-N189 PolarHBondContact O-N 3.3Å; L187-N189 VanDerWaalsContact C-N 3.28Å; N189-N191 PolarHBondContact O-N 2.99Å
190W85.8Confident81.5Confident7 Ų767.4 Ų67.43%0.02735%0.351CS..  trans-60.8123.1177.6-73.712.9000111.2W167 L177 F182 D186 L187 V194 L195 L198 L213 R217W167-W190 HydrophobicContact CZ3-CZ3 4.28Å; L177-W190 HydrophobicContact CD1-CH2 3.6Å; L177-W190 HydrophobicContact CD1-CZ3 4.12Å; F182-W190 HydrophobicContact CB-CZ2 4.34Å; F182-W190 AromaticContact CD1-CZ2 3.63Å; F182-W190 HydrophobicContact CD1-CZ2 3.63Å; F182-W190 HydrophobicContact CD2-CH2 4.34Å; F182-W190 AromaticContact CD2-CZ2 3.96Å; F182-W190 HydrophobicContact CD2-CZ2 3.96Å; F182-W190 AromaticContact CE1-CZ2 3.74Å; F182-W190 HydrophobicContact CE1-CZ2 3.74Å; F182-W190 HydrophobicContact CE2-CH2 4.41Å; F182-W190 HydrophobicContact CE2-CZ2 4.1Å; F182-W190 HydrophobicContact CG-CH2 4.47Å; F182-W190 AromaticContact CG-CZ2 3.71Å; F182-W190 HydrophobicContact CG-CZ2 3.71Å; F182-W190 AromaticContact CZ-CZ2 3.95Å; F182-W190 HydrophobicContact CZ-CZ2 3.95Å; D186-W190 PolarHBondContact O-N 2.99Å; D186-W190 PolarHBondContact O-NE1 3.17Å; L187-W190 HydrophobicContact CD1-CH2 4.12Å; L187-W190 HydrophobicContact CD1-CZ2 3.69Å; L187-W190 HydrophobicContact CG-CD2 4.15Å; L187-W190 HydrophobicContact CG-CE3 4.32Å; L187-W190 HydrophobicContact CG-CH2 4.14Å; L187-W190 HydrophobicContact CG-CZ2 3.99Å; L187-W190 HydrophobicContact CG-CZ3 4.31Å; W190-V194 HydrophobicContact CG-CG1 4.29Å; W190-L195 HydrophobicContact CD2-CD2 4.25Å; W190-L195 HydrophobicContact CE3-CD2 3.57Å; W190-L195 HydrophobicContact CZ3-CD2 3.94Å; W190-L198 HydrophobicContact CZ2-CD1 3.99Å; W190-L213 HydrophobicContact CB-CD1 4Å; W190-L213 HydrophobicContact CD2-CD1 4.4Å; W190-L213 HydrophobicContact CE3-CD1 3.74Å; W190-R217 PolarHBondContact O-NH2 2.97Å
191N86.1Confident82.5Confident61 Ų6175.5 Ų75.533%0.32637%0.374SS..  trans-123.4179.7170.567.7-3.4000109.1N189 E193 V194 L195N189-N191 PolarHBondContact O-N 2.99Å; N191-E193 PolarHBondContact ND2-OE2 3.08Å; N191-E193 VanDerWaalsContact ND2-OE2 3.13Å; N191-E193 PolarHBondContact O-N 3.2Å; N191-E193 PolarHBondContact OD1-N 2.96Å; N191-V194 PolarHBondContact O-N 3.41Å; N191-V194 VanDerWaalsContact OD1-CB 3.32Å; N191-V194 WeakPolarHBondContact OD1-CB 3.48Å; N191-V194 WeakPolarHBondContact OD1-CG2 3.4Å; N191-V194 PolarHBondContact OD1-N 3.48Å; N191-L195 WeakPolarHBondContact O-CG 3.47Å; N191-L195 PolarHBondContact O-N 2.77Å
192D86.8Confident83.2Confident71 Ų7170.8 Ų70.838%0.3835%0.354SS..Hα-helixtrans-61.2-34.7-179.7-167.363.5000112.6L195 T196 R206 L210D192-L195 PolarHBondContact O-N 2.98Å; D192-T196 WeakPolarHBondContact O-CB 3.44Å; D192-T196 PolarHBondContact O-N 3.09Å; D192-T196 PolarHBondContact O-OG1 3.13Å; D192-R206 VanDerWaalsContact OD1-CD 3.28Å; D192-R206 WeakPolarHBondContact OD1-CD 3.39Å; D192-R206 IonicContact OD1-CZ 3.8Å; D192-R206 IonicContact OD1-NE 2.76Å; D192-R206 PolarHBondContact OD1-NE 3.18Å; D192-R206 IonicContact OD1-NH2 3.97Å; D192-R206 IonicContact OD2-NE 3.6Å; D192-R206 IonicContact OD2-NH2 3.87Å; D192-L210 HydrophobicContact CB-CD1 4.17Å
193E87.4Confident83.7Confident134 Ų13472.8 Ų72.863%0.62637%0.371SS*.Hα-helixtrans-65.1-50.9178-61169.5167.200111.1N191 L195 T196 E197N191-E193 PolarHBondContact ND2-OE2 3.08Å; N191-E193 VanDerWaalsContact ND2-OE2 3.13Å; N191-E193 PolarHBondContact O-N 3.2Å; N191-E193 PolarHBondContact OD1-N 2.96Å; E193-L195 VanDerWaalsContact C-N 3.33Å; E193-L195 PolarHBondContact O-N 3.13Å; E193-T196 CarbonylContact O-C 3.45Å; E193-T196 WeakPolarHBondContact O-CA 3.33Å; E193-T196 WeakPolarHBondContact O-CB 3.49Å; E193-T196 PolarHBondContact O-N 2.7Å; E193-E197 WeakPolarHBondContact O-CG 3.46Å; E193-E197 PolarHBondContact O-N 2.8Å
194V85.7Confident84Confident41 Ų4177.3 Ų77.325%0.24838%0.382CS..Hα-helixtrans-60.2-43.3177.1170.50000110.6W190 N191 T196 E197 L198W190-V194 HydrophobicContact CG-CG1 4.29Å; N191-V194 PolarHBondContact O-N 3.41Å; N191-V194 VanDerWaalsContact OD1-CB 3.32Å; N191-V194 WeakPolarHBondContact OD1-CB 3.48Å; N191-V194 WeakPolarHBondContact OD1-CG2 3.4Å; N191-V194 PolarHBondContact OD1-N 3.48Å; V194-T196 VanDerWaalsContact C-N 3.26Å; V194-T196 PolarHBondContact O-N 2.87Å; V194-E197 PolarHBondContact O-N 3.33Å; V194-L198 HydrophobicContact CG1-CD1 3.93Å; V194-L198 HydrophobicContact CG1-CG 4.24Å; V194-L198 WeakPolarHBondContact O-CB 3.45Å; V194-L198 WeakPolarHBondContact O-CG 3.2Å; V194-L198 PolarHBondContact O-N 2.86Å
195L85Confident84.1Confident0 Ų080 Ų800%040%0.395CS..Hα-helixtrans-62.9-35.1176.3-73.6176.3000112.3W190 N191 D192 E193 L198 G199 V200 R206 L209 L210W190-L195 HydrophobicContact CD2-CD2 4.25Å; W190-L195 HydrophobicContact CE3-CD2 3.57Å; W190-L195 HydrophobicContact CZ3-CD2 3.94Å; N191-L195 WeakPolarHBondContact O-CG 3.47Å; N191-L195 PolarHBondContact O-N 2.77Å; D192-L195 PolarHBondContact O-N 2.98Å; E193-L195 VanDerWaalsContact C-N 3.33Å; E193-L195 PolarHBondContact O-N 3.13Å; L195-L198 PolarHBondContact O-N 3.39Å; L195-G199 PolarHBondContact O-N 3.45Å; L195-V200 HydrophobicContact CB-CB 4.46Å; L195-V200 HydrophobicContact CD2-CG2 4.45Å; L195-V200 VanDerWaalsContact O-CB 3.28Å; L195-V200 WeakPolarHBondContact O-CB 3.48Å; L195-V200 PolarHBondContact O-N 3.45Å; L195-R206 HydrophobicContact CB-CG 3.93Å; L195-R206 HydrophobicContact CD1-CB 4.18Å; L195-R206 HydrophobicContact CD1-CG 4.3Å; L195-L209 HydrophobicContact CD1-CB 4.12Å; L195-L209 HydrophobicContact CD1-CD1 4.39Å; L195-L209 HydrophobicContact CD2-CD1 3.97Å; L195-L210 HydrophobicContact CD1-CD1 4.31Å; L195-L210 HydrophobicContact CD1-CD2 3.91Å; L195-L210 HydrophobicContact CD1-CG 3.76Å
196T85.7Confident84.4Confident65 Ų6574.8 Ų74.840%0.39937%0.372SS..Hα-helixtrans-68.1-42.1174.8-57.50000111.3D192 E193 V194 L198 G199 R206D192-T196 WeakPolarHBondContact O-CB 3.44Å; D192-T196 PolarHBondContact O-N 3.09Å; D192-T196 PolarHBondContact O-OG1 3.13Å; E193-T196 CarbonylContact O-C 3.45Å; E193-T196 WeakPolarHBondContact O-CA 3.33Å; E193-T196 WeakPolarHBondContact O-CB 3.49Å; E193-T196 PolarHBondContact O-N 2.7Å; V194-T196 VanDerWaalsContact C-N 3.26Å; V194-T196 PolarHBondContact O-N 2.87Å; T196-L198 VanDerWaalsContact C-N 3.33Å; T196-L198 PolarHBondContact O-N 3.05Å; T196-G199 PolarHBondContact O-N 3.43Å; T196-G199 VanDerWaalsContact O-N 3.09Å; T196-R206 WeakPolarHBondContact OG1-CD 3.24Å; T196-R206 PolarHBondContact OG1-NE 3.28Å
197E83.9Confident84.6Confident166 Ų16677.8 Ų77.878%0.77638%0.384SS*.Hα-helixtrans-63.8-36.5174.2-71.3-179.9175.900112.4E193 V194 G199E193-E197 WeakPolarHBondContact O-CG 3.46Å; E193-E197 PolarHBondContact O-N 2.8Å; V194-E197 PolarHBondContact O-N 3.33Å; E197-G199 PolarHBondContact O-N 3.41Å; E197-G199 VanDerWaalsContact O-N 3.14Å
198L80.4Confident84.7Confident32 Ų3281.2 Ų81.217%0.16840%0.402CS..THydrogen-bonded Turntrans-72.23.1173.7-67.5178.2000113.5P178 F182 W190 V194 L195 T196P178-L198 WeakPolarHBondContact CD-O 3.33Å; P178-L198 WeakPolarHBondContact CG-O 3.44Å; F182-L198 HydrophobicContact CE1-CD1 3.69Å; F182-L198 HydrophobicContact CE1-CD2 3.77Å; F182-L198 HydrophobicContact CE1-CG 4.37Å; F182-L198 HydrophobicContact CZ-CD1 3.53Å; F182-L198 HydrophobicContact CZ-CD2 3.55Å; F182-L198 HydrophobicContact CZ-CG 4.11Å; W190-L198 HydrophobicContact CZ2-CD1 3.99Å; V194-L198 HydrophobicContact CG1-CD1 3.93Å; V194-L198 HydrophobicContact CG1-CG 4.24Å; V194-L198 WeakPolarHBondContact O-CB 3.45Å; V194-L198 WeakPolarHBondContact O-CG 3.2Å; V194-L198 PolarHBondContact O-N 2.86Å; L195-L198 PolarHBondContact O-N 3.39Å; T196-L198 VanDerWaalsContact C-N 3.33Å; T196-L198 PolarHBondContact O-N 3.05Å
199G81.7Confident84.9Confident42 Ų4277.1 Ų77.143%0.43338%0.383SS..THydrogen-bonded Turntrans88.56.9174.100000115.1L195 T196 E197 R201L195-G199 PolarHBondContact O-N 3.45Å; T196-G199 PolarHBondContact O-N 3.43Å; T196-G199 VanDerWaalsContact O-N 3.09Å; E197-G199 PolarHBondContact O-N 3.41Å; E197-G199 VanDerWaalsContact O-N 3.14Å; G199-R201 PolarHBondContact O-N 3.2Å
200V82.5Confident85.1Confident16 Ų1672.5 Ų72.510%0.09736%0.358CS..  trans-78.784.6174.7-170.30000109.4L177 L195 I205 R206 L209L177-V200 HydrophobicContact CD2-CG2 3.51Å; L195-V200 HydrophobicContact CB-CB 4.46Å; L195-V200 HydrophobicContact CD2-CG2 4.45Å; L195-V200 VanDerWaalsContact O-CB 3.28Å; L195-V200 WeakPolarHBondContact O-CB 3.48Å; L195-V200 PolarHBondContact O-N 3.45Å; V200-I205 HydrophobicContact CG1-CB 3.99Å; V200-I205 HydrophobicContact CG1-CG2 3.62Å; V200-R206 HydrophobicContact CB-CG 3.98Å; V200-R206 HydrophobicContact CG1-CG 3.59Å; V200-R206 VanDerWaalsContact O-CD 3.26Å; V200-R206 WeakPolarHBondContact O-CD 3.4Å; V200-R206 WeakPolarHBondContact O-CG 3.18Å; V200-R206 PolarHBondContact O-NH1 2.9Å; V200-L209 HydrophobicContact CG1-CD1 4.46Å
201R81Confident85.2Confident225 Ų22577.3 Ų77.385%0.84938%0.38SS*.  trans-75.4-26.4-177-64.4-176.5-176.8178.71114.1G199 S203 R206G199-R201 PolarHBondContact O-N 3.2Å; R201-S203 PolarHBondContact O-N 2.93Å; R201-R206 PolarHBondContact O-NH1 2.75Å
202D83.9Confident85.2Confident79 Ų7976.1 Ų76.142%0.42237%0.373SS..  trans-74.1115.7-179.5-171.5-21.5000110.7R204 I205 R206D202-R204 PolarHBondContact O-N 3.24Å; D202-R204 VanDerWaalsContact OD1-CB 3.28Å; D202-R204 WeakPolarHBondContact OD1-CB 3.44Å; D202-R204 PolarHBondContact OD1-N 3.1Å; D202-I205 HydrophobicContact CB-CB 4.08Å; D202-I205 HydrophobicContact CB-CD1 3.82Å; D202-I205 HydrophobicContact CB-CG1 3.87Å; D202-I205 PolarHBondContact O-N 3.45Å; D202-R206 WeakPolarHBondContact O-CG 3.45Å; D202-R206 PolarHBondContact O-N 3.48Å
203S87.3Confident85.3Confident64 Ų6472.7 Ų72.745%0.44836%0.355SS..Hα-helixtrans-60.5-34.9179.159.70000112.2R201 I205 R206 E207R201-S203 PolarHBondContact O-N 2.93Å; S203-I205 VanDerWaalsContact C-N 3.34Å; S203-I205 PolarHBondContact O-N 2.98Å; S203-R206 PolarHBondContact O-N 3.06Å; S203-E207 WeakPolarHBondContact O-CG 2.81Å; S203-E207 PolarHBondContact O-N 3.15Å
204R86.2Confident85.2Confident191 Ų19170.8 Ų70.872%0.72135%0.349SS*.Hα-helixtrans-68.1-37.7-179.9-170177.5-178.71760.4111.4D202 L208D202-R204 PolarHBondContact O-N 3.24Å; D202-R204 VanDerWaalsContact OD1-CB 3.28Å; D202-R204 WeakPolarHBondContact OD1-CB 3.44Å; D202-R204 PolarHBondContact OD1-N 3.1Å; R204-L208 VanDerWaalsContact O-CB 3.3Å; R204-L208 WeakPolarHBondContact O-CB 3.39Å; R204-L208 PolarHBondContact O-N 2.72Å; R204-L208 VanDerWaalsContact O-N 3.12Å
205I84.1Confident85.1Confident56 Ų5672.7 Ų72.729%0.28735%0.354SS..Hα-helixtrans-69-41.9175.4-63.1178.9000110.1L173 V200 D202 S203 L208 L209L173-I205 HydrophobicContact CD1-CG2 4.03Å; L173-I205 HydrophobicContact CD2-CD1 4.29Å; L173-I205 HydrophobicContact CD2-CG1 4.26Å; L173-I205 HydrophobicContact CD2-CG2 3.58Å; L173-I205 HydrophobicContact CG-CG2 4.48Å; V200-I205 HydrophobicContact CG1-CB 3.99Å; V200-I205 HydrophobicContact CG1-CG2 3.62Å; D202-I205 HydrophobicContact CB-CB 4.08Å; D202-I205 HydrophobicContact CB-CD1 3.82Å; D202-I205 HydrophobicContact CB-CG1 3.87Å; D202-I205 PolarHBondContact O-N 3.45Å; S203-I205 VanDerWaalsContact C-N 3.34Å; S203-I205 PolarHBondContact O-N 2.98Å; I205-L208 PolarHBondContact O-N 2.92Å; I205-L209 HydrophobicContact CG2-CD1 3.98Å; I205-L209 HydrophobicContact CG2-CG 4.39Å; I205-L209 WeakPolarHBondContact O-CB 3.32Å; I205-L209 WeakPolarHBondContact O-CG 3.06Å; I205-L209 PolarHBondContact O-N 3.47Å
206R86.7Confident85Confident32 Ų3273.2 Ų73.212%0.12136%0.357CS..Hα-helixtrans-61.4-46.8176.8-67.8-160.9-57.4-84.81.6112.2D192 L195 T196 V200 R201 D202 S203 L208 L209 L210D192-R206 VanDerWaalsContact OD1-CD 3.28Å; D192-R206 WeakPolarHBondContact OD1-CD 3.39Å; D192-R206 IonicContact OD1-CZ 3.8Å; D192-R206 IonicContact OD1-NE 2.76Å; D192-R206 PolarHBondContact OD1-NE 3.18Å; D192-R206 IonicContact OD1-NH2 3.97Å; D192-R206 IonicContact OD2-NE 3.6Å; D192-R206 IonicContact OD2-NH2 3.87Å; L195-R206 HydrophobicContact CB-CG 3.93Å; L195-R206 HydrophobicContact CD1-CB 4.18Å; L195-R206 HydrophobicContact CD1-CG 4.3Å; T196-R206 WeakPolarHBondContact OG1-CD 3.24Å; T196-R206 PolarHBondContact OG1-NE 3.28Å; V200-R206 HydrophobicContact CB-CG 3.98Å; V200-R206 HydrophobicContact CG1-CG 3.59Å; V200-R206 VanDerWaalsContact O-CD 3.26Å; V200-R206 WeakPolarHBondContact O-CD 3.4Å; V200-R206 WeakPolarHBondContact O-CG 3.18Å; V200-R206 PolarHBondContact O-NH1 2.9Å; R201-R206 PolarHBondContact O-NH1 2.75Å; D202-R206 WeakPolarHBondContact O-CG 3.45Å; D202-R206 PolarHBondContact O-N 3.48Å; S203-R206 PolarHBondContact O-N 3.06Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 2.81Å; R206-L209 PolarHBondContact O-N 2.99Å; R206-L210 WeakPolarHBondContact O-CB 3.3Å; R206-L210 VanDerWaalsContact O-CG 3.3Å; R206-L210 WeakPolarHBondContact O-CG 3.42Å; R206-L210 PolarHBondContact O-N 2.88Å
207E87.1Confident84.8Confident133 Ų13373.3 Ų73.362%0.62135%0.35SS*.Hα-helixtrans-58.1-45.8176-75.9174.8-171.300111.8S203 L210 E211S203-E207 WeakPolarHBondContact O-CG 2.81Å; S203-E207 PolarHBondContact O-N 3.15Å; E207-L210 PolarHBondContact O-N 3.05Å; E207-E211 WeakPolarHBondContact O-CB 3.14Å; E207-E211 PolarHBondContact O-N 2.73Å
208L86.8Confident84.1Confident72 Ų7266.9 Ų66.938%0.37733%0.328SS..Hα-helixtrans-65.5-41.7-179.5-171.8149.2000112.1V171 R204 I205 R206 E211 E212V171-L208 HydrophobicContact CG1-CD2 3.11Å; R204-L208 VanDerWaalsContact O-CB 3.3Å; R204-L208 WeakPolarHBondContact O-CB 3.39Å; R204-L208 PolarHBondContact O-N 2.72Å; R204-L208 VanDerWaalsContact O-N 3.12Å; I205-L208 PolarHBondContact O-N 2.92Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 2.81Å; L208-E211 PolarHBondContact O-N 2.72Å; L208-E212 PolarHBondContact O-N 3.21Å
209L86.4Confident83.4Confident2 Ų270.4 Ų70.41%0.0134%0.339CS..Hα-helixtrans-61.5-47173.5-81.2171000111.8W167 L168 V171 L173 L195 V200 I205 R206 E211 E212 L213W167-L209 HydrophobicContact CH2-CD2 3.66Å; W167-L209 HydrophobicContact CZ2-CD2 4.33Å; W167-L209 HydrophobicContact CZ3-CD2 4.2Å; L168-L209 HydrophobicContact CD2-CD2 3.9Å; V171-L209 HydrophobicContact CG1-CD2 4.42Å; L173-L209 HydrophobicContact CD1-CD1 3.99Å; L173-L209 HydrophobicContact CD1-CD2 3.32Å; L173-L209 HydrophobicContact CD1-CG 3.53Å; L195-L209 HydrophobicContact CD1-CB 4.12Å; L195-L209 HydrophobicContact CD1-CD1 4.39Å; L195-L209 HydrophobicContact CD2-CD1 3.97Å; V200-L209 HydrophobicContact CG1-CD1 4.46Å; I205-L209 HydrophobicContact CG2-CD1 3.98Å; I205-L209 HydrophobicContact CG2-CG 4.39Å; I205-L209 WeakPolarHBondContact O-CB 3.32Å; I205-L209 WeakPolarHBondContact O-CG 3.06Å; I205-L209 PolarHBondContact O-N 3.47Å; R206-L209 PolarHBondContact O-N 2.99Å; L209-E211 VanDerWaalsContact C-N 3.35Å; L209-E212 PolarHBondContact O-N 3.46Å; L209-L213 WeakPolarHBondContact O-CB 3.25Å; L209-L213 VanDerWaalsContact O-CG 3.3Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 2.96Å
210L87.6Confident81.9Confident34 Ų3470.9 Ų70.918%0.17834%0.335CS..Hα-helixtrans-66.1-37.3179.4-70.1172.7000111.7D192 L195 R206 E207 N214D192-L210 HydrophobicContact CB-CD1 4.17Å; L195-L210 HydrophobicContact CD1-CD1 4.31Å; L195-L210 HydrophobicContact CD1-CD2 3.91Å; L195-L210 HydrophobicContact CD1-CG 3.76Å; R206-L210 WeakPolarHBondContact O-CB 3.3Å; R206-L210 VanDerWaalsContact O-CG 3.3Å; R206-L210 WeakPolarHBondContact O-CG 3.42Å; R206-L210 PolarHBondContact O-N 2.88Å; E207-L210 PolarHBondContact O-N 3.05Å; L210-N214 VanDerWaalsContact O-CB 3.25Å; L210-N214 WeakPolarHBondContact O-CB 3.14Å; L210-N214 PolarHBondContact O-N 2.82Å; L210-N214 PolarHBondContact O-ND2 3.47Å; L210-N214 VanDerWaalsContact O-ND2 3.08Å
211E87.9Confident80.2Confident107 Ų10773.9 Ų73.950%0.536%0.361SS..Hα-helixtrans-62.6-47.4174.9-162.8-164145.900111.2E207 L208 L209 N214 K215E207-E211 WeakPolarHBondContact O-CB 3.14Å; E207-E211 PolarHBondContact O-N 2.73Å; L208-E211 PolarHBondContact O-N 2.72Å; L209-E211 VanDerWaalsContact C-N 3.35Å; E211-N214 PolarHBondContact O-N 3.44Å; E211-K215 WeakPolarHBondContact O-CG 3.15Å; E211-K215 PolarHBondContact O-N 3.33Å; E211-K215 WeakPolarHBondContact OE1-CE 3.15Å; E211-K215 IonicContact OE1-NZ 2.75Å; E211-K215 PolarHBondContact OE1-NZ 3.44Å
212E86.2Confident78.5Confident36 Ų3672 Ų7217%0.16835%0.354CS..Hα-helixtrans-67.6-39.5177.7-73.5-60.1130.300112.5W167 V171 L208 L209 N214 K215 V216W167-E212 HydrophobicContact CZ2-CB 4.05Å; V171-E212 HydrophobicContact CG1-CG 4.41Å; V171-E212 HydrophobicContact CG2-CB 4.17Å; V171-E212 HydrophobicContact CG2-CG 4.09Å; L208-E212 PolarHBondContact O-N 3.21Å; L209-E212 PolarHBondContact O-N 3.46Å; E212-N214 VanDerWaalsContact C-N 3.34Å; E212-N214 PolarHBondContact O-N 3.34Å; E212-K215 WeakPolarHBondContact O-CB 3.42Å; E212-K215 PolarHBondContact O-N 3.06Å; E212-K215 VanDerWaalsContact OE1-CD 3.27Å; E212-K215 WeakPolarHBondContact OE1-CD 3.44Å; E212-K215 WeakPolarHBondContact OE1-CE 3.42Å; E212-K215 IonicContact OE1-NZ 2.69Å; E212-K215 PolarHBondContact OE1-NZ 3.5Å; E212-V216 WeakPolarHBondContact O-CG2 3.32Å; E212-V216 PolarHBondContact O-N 3.05Å
213L87Confident76.5Confident0 Ų073.7 Ų73.70%036%0.355CS..Hα-helixtrans-61.2-43.3172.2-78172.4000111.5W167 L187 W190 L209 K215 V216 R217W167-L213 HydrophobicContact CH2-CD1 4.09Å; W167-L213 HydrophobicContact CH2-CD2 3.47Å; W167-L213 VanDerWaalsContact CH2-CD2 3.47Å; W167-L213 HydrophobicContact CH2-CG 3.48Å; W167-L213 VanDerWaalsContact CH2-CG 3.48Å; W167-L213 HydrophobicContact CZ2-CD2 3.71Å; W167-L213 HydrophobicContact CZ2-CG 3.69Å; W167-L213 HydrophobicContact CZ3-CD2 4.09Å; W167-L213 HydrophobicContact CZ3-CG 4.5Å; L187-L213 HydrophobicContact CB-CD2 4.18Å; L187-L213 HydrophobicContact CD2-CD2 3.96Å; L187-L213 HydrophobicContact CG-CD2 4.3Å; W190-L213 HydrophobicContact CB-CD1 4Å; W190-L213 HydrophobicContact CD2-CD1 4.4Å; W190-L213 HydrophobicContact CE3-CD1 3.74Å; L209-L213 WeakPolarHBondContact O-CB 3.25Å; L209-L213 VanDerWaalsContact O-CG 3.3Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 2.96Å; L213-K215 VanDerWaalsContact C-N 3.29Å; L213-K215 PolarHBondContact O-N 3.19Å; L213-V216 CarbonylContact O-C 3.53Å; L213-V216 PolarHBondContact O-N 2.88Å; L213-V216 VanDerWaalsContact O-N 3.09Å; L213-R217 WeakPolarHBondContact O-CB 3.09Å; L213-R217 VanDerWaalsContact O-CG 3.3Å; L213-R217 WeakPolarHBondContact O-CG 3.2Å; L213-R217 PolarHBondContact O-N 3.19Å
214N85.6Confident74.1Confident93 Ų9379.5 Ų79.550%0.49738%0.375SS..Hα-helixtrans-63.7-35.3176.1-76.8-31.6000111.9L210 E211 E212 G218L210-N214 VanDerWaalsContact O-CB 3.25Å; L210-N214 WeakPolarHBondContact O-CB 3.14Å; L210-N214 PolarHBondContact O-N 2.82Å; L210-N214 PolarHBondContact O-ND2 3.47Å; L210-N214 VanDerWaalsContact O-ND2 3.08Å; E211-N214 PolarHBondContact O-N 3.44Å; E212-N214 VanDerWaalsContact C-N 3.34Å; E212-N214 PolarHBondContact O-N 3.34Å; N214-G218 WeakPolarHBondContact O-CA 3.49Å; N214-G218 PolarHBondContact O-N 2.98Å
215K84.8Confident71.6Confident82 Ų8273.4 Ų73.436%0.35736%0.362SS..Hα-helixtrans-63-41.7170.8-71.7168.8-169.3164.10111.5E211 E212 L213 R219E211-K215 WeakPolarHBondContact O-CG 3.15Å; E211-K215 PolarHBondContact O-N 3.33Å; E211-K215 WeakPolarHBondContact OE1-CE 3.15Å; E211-K215 IonicContact OE1-NZ 2.75Å; E211-K215 PolarHBondContact OE1-NZ 3.44Å; E212-K215 WeakPolarHBondContact O-CB 3.42Å; E212-K215 PolarHBondContact O-N 3.06Å; E212-K215 VanDerWaalsContact OE1-CD 3.27Å; E212-K215 WeakPolarHBondContact OE1-CD 3.44Å; E212-K215 WeakPolarHBondContact OE1-CE 3.42Å; E212-K215 IonicContact OE1-NZ 2.69Å; E212-K215 PolarHBondContact OE1-NZ 3.5Å; L213-K215 VanDerWaalsContact C-N 3.29Å; L213-K215 PolarHBondContact O-N 3.19Å; K215-R219 VanDerWaalsContact O-CG 3.24Å; K215-R219 WeakPolarHBondContact O-CG 3.39Å; K215-R219 PolarHBondContact O-N 3.03Å; K215-R219 VanDerWaalsContact O-N 3.13Å
216V82.2Confident69.3Low10 Ų1076.2 Ų76.26%0.06138%0.376CS..Hα-helixtrans-70.5-46.1178.5176.60000111.5L156 W159 E212 L213 G218 R219 C220L156-V216 HydrophobicContact CB-CG1 4.29Å; L156-V216 HydrophobicContact CD1-CG1 4.07Å; W159-V216 HydrophobicContact CH2-CB 4.46Å; W159-V216 HydrophobicContact CH2-CG1 3.76Å; W159-V216 HydrophobicContact CH2-CG2 3.95Å; W159-V216 HydrophobicContact CZ2-CG1 3.59Å; W159-V216 HydrophobicContact CZ2-CG2 4.36Å; E212-V216 WeakPolarHBondContact O-CG2 3.32Å; E212-V216 PolarHBondContact O-N 3.05Å; L213-V216 CarbonylContact O-C 3.53Å; L213-V216 PolarHBondContact O-N 2.88Å; L213-V216 VanDerWaalsContact O-N 3.09Å; V216-G218 PolarHBondContact O-N 2.91Å; V216-R219 WeakPolarHBondContact O-CB 3.44Å; V216-R219 PolarHBondContact O-N 3.39Å; V216-C220 PolarHBondContact O-N 2.68Å
217R82.8Confident67.1Low67 Ų6782.9 Ų82.925%0.25340%0.401SS..Hα-helixtrans-60.1-44.3175.1-69.1176.1-172.8169.62.2111.1L156 L187 E188 W190 L213 R219 C220 A221L156-R217 HydrophobicContact CD2-CG 3.76Å; L187-R217 PolarHBondContact O-NE 3.07Å; L187-R217 PolarHBondContact O-NH2 3.11Å; E188-R217 PolarHBondContact O-NE 3.38Å; E188-R217 PolarHBondContact O-NH2 3.3Å; W190-R217 PolarHBondContact O-NH2 2.97Å; L213-R217 WeakPolarHBondContact O-CB 3.09Å; L213-R217 VanDerWaalsContact O-CG 3.3Å; L213-R217 WeakPolarHBondContact O-CG 3.2Å; L213-R217 PolarHBondContact O-N 3.19Å; R217-R219 VanDerWaalsContact C-N 3.29Å; R217-R219 PolarHBondContact O-N 3.35Å; R217-C220 WeakPolarHBondContact O-CB 3.42Å; R217-C220 PolarHBondContact O-N 2.99Å; R217-A221 PolarHBondContact O-N 3.06Å
218G68.9Low64.6Low31 Ų3178.6 Ų78.632%0.3239%0.385SS..Hα-helixtrans-64.6-28.7176.900000114N214 V216 C220 A221 R222N214-G218 WeakPolarHBondContact O-CA 3.49Å; N214-G218 PolarHBondContact O-N 2.98Å; V216-G218 PolarHBondContact O-N 2.91Å; G218-C220 VanDerWaalsContact C-N 3.32Å; G218-A221 PolarHBondContact O-N 3.18Å; G218-R222 PolarHBondContact O-N 2.83Å
219R64.9Low62.5Low107 Ų10781.3 Ų81.340%0.40439%0.39SS..Hα-helixtrans-66.8-32.9172-74.8171-157.6-167.88.5112K215 V216 R217 R223K215-R219 VanDerWaalsContact O-CG 3.24Å; K215-R219 WeakPolarHBondContact O-CG 3.39Å; K215-R219 PolarHBondContact O-N 3.03Å; K215-R219 VanDerWaalsContact O-N 3.13Å; V216-R219 WeakPolarHBondContact O-CB 3.44Å; V216-R219 PolarHBondContact O-N 3.39Å; R217-R219 VanDerWaalsContact C-N 3.29Å; R217-R219 PolarHBondContact O-N 3.35Å; R219-R223 WeakPolarHBondContact O-CB 3.01Å; R219-R223 WeakPolarHBondContact O-CD 3.35Å; R219-R223 WeakPolarHBondContact O-CG 3.17Å; R219-R223 PolarHBondContact O-N 3Å
220C51.2Low60.5Low51 Ų5183.4 Ų83.435%0.34541%0.408SS..Hα-helixtrans-70.1-41.4175.5-79.90000111.9V216 R217 G218 R222 R223V216-C220 PolarHBondContact O-N 2.68Å; R217-C220 WeakPolarHBondContact O-CB 3.42Å; R217-C220 PolarHBondContact O-N 2.99Å; G218-C220 VanDerWaalsContact C-N 3.32Å; C220-R222 PolarHBondContact O-N 2.84Å; C220-R223 PolarHBondContact O-N 2.77Å
221A46.2Very low58.5Low79 Ų7982 Ų8265%0.65340%0.401SS*.Hα-helixtrans-65.9-35.7179.300000113.2R217 G218R217-A221 PolarHBondContact O-N 3.06Å; G218-A221 PolarHBondContact O-N 3.18Å
222R44.1Very low56.6Low185 Ų18580.8 Ų80.870%0.69839%0.394SS*.Hα-helixtrans-81.2-10.2179.4-67.9-176.1178.2-178.4-0.1114.4G218 C220 S225G218-R222 PolarHBondContact O-N 2.83Å; C220-R222 PolarHBondContact O-N 2.84Å; R222-S225 PolarHBondContact O-N 3.05Å; R222-S225 PolarHBondContact O-OG 2.65Å
223R41.6Very low54.9Low115 Ų11583.2 Ų83.243%0.43441%0.413SS..THydrogen-bonded Turntrans-86.63.4-174.9-86.1-179.6-176.7-168.78.9115.3K152 T153 R219 C220K152-R223 PolarHBondContact O-NH2 3.08Å; T153-R223 PolarHBondContact O-NH1 3.43Å; R219-R223 WeakPolarHBondContact O-CB 3.01Å; R219-R223 WeakPolarHBondContact O-CD 3.35Å; R219-R223 WeakPolarHBondContact O-CG 3.17Å; R219-R223 PolarHBondContact O-N 3Å; C220-R223 PolarHBondContact O-N 2.77Å
224Q38Very low53.3Low186 Ų18684.3 Ų84.387%0.86942%0.418SS*.THydrogen-bonded Turntrans-73.2-15.1162.8-70.3-171.60.300112.6I226Q224-I226 PolarHBondContact O-N 2.84Å
225S33.5Very low51.7Low64 Ų6482.3 Ų82.345%0.44841%0.408SS..SBendtrans-75.9118159.367.30000108.1R222 R227R222-S225 PolarHBondContact O-N 3.05Å; R222-S225 PolarHBondContact O-OG 2.65Å; S225-R227 PolarHBondContact O-N 2.84Å
226I36.9Very low50.1Low115 Ų11580 Ų8059%0.5940%0.404SS*.  trans-6182.1168.2-58.8166.8000106.1Q224 F330Q224-I226 PolarHBondContact O-N 2.84Å; I226-F330 WeakPolarHBondContact CG2-O 3.37Å
227R38.6Very low49Very low171 Ų17181.1 Ų81.165%0.64541%0.409SS*.  trans-70.5132.7172.7-79.6-166.9179.9-174.1-4.2107.3S225 R229S225-R227 PolarHBondContact O-N 2.84Å; R227-R229 PolarHBondContact O-N 3.27Å
228P35.8Very low48.1Very low43 Ų4386.2 Ų86.228%0.27944%0.436SS..  trans-58.1104.3174.421.5-29.2000109.3A230 E327 L328 F330P228-A230 PolarHBondContact O-N 3.23Å; P228-E327 HydrophobicContact CG-CB 4.19Å; P228-E327 VanDerWaalsContact CG-OE2 3.27Å; P228-E327 WeakPolarHBondContact CG-OE2 3.27Å; P228-L328 WeakPolarHBondContact CB-O 3.05Å; P228-F330 HydrophobicContact CB-CD2 3.68Å; P228-F330 HydrophobicContact CB-CE2 3.98Å
229R43.1Very low47.6Very low130 Ų13090.7 Ų90.749%0.49144%0.443SS..  trans-75.4120.5165.1-77.4-170.1-179.7-166.41.9105.8R227 F330R227-R229 PolarHBondContact O-N 3.27Å; R229-F330 WeakPolarHBondContact O-CD1 3.39Å; R229-F330 WeakPolarHBondContact O-CD2 3.09Å; R229-F330 WeakPolarHBondContact O-CE1 3.37Å; R229-F330 WeakPolarHBondContact O-CE2 3.41Å; R229-F330 VanDerWaalsContact O-CG 3.24Å; R229-F330 WeakPolarHBondContact O-CG 3.47Å; R229-F330 WeakPolarHBondContact O-CZ 3.39Å
230A42.8Very low47.5Very low46 Ų4687.2 Ų87.238%0.3843%0.43SS..  trans-45143.7176.200000111.4P228 F232 P233 F330P228-A230 PolarHBondContact O-N 3.23Å; A230-F232 HydrophobicContact CB-CD2 3.76Å; A230-F232 HydrophobicContact CB-CE2 4.41Å; A230-F232 PolarHBondContact O-N 3.1Å; A230-P233 WeakPolarHBondContact O-CD 3.16Å; A230-F330 VanDerWaalsContact C-CZ 3.41Å
231L46.8Very low48Very low4 Ų489 Ų892%0.02143%0.433CS..Hα-helixtrans-63.4-27.4-178.4-114.3113.3000110.4L234 L235 I317 L319 L328 F330L231-L234 PolarHBondContact O-N 2.75Å; L231-L235 HydrophobicContact CB-CD1 4.04Å; L231-L235 HydrophobicContact CB-CG 4.24Å; L231-L235 HydrophobicContact CD2-CD1 3.38Å; L231-L235 HydrophobicContact CD2-CD2 3.87Å; L231-L235 HydrophobicContact CD2-CG 3.58Å; L231-L235 HydrophobicContact CG-CD1 4.28Å; L231-L235 HydrophobicContact CG-CG 4.38Å; L231-L235 PolarHBondContact O-N 2.7Å; L231-I317 HydrophobicContact CD1-CG2 3.94Å; L231-I317 HydrophobicContact CD2-CD1 4.29Å; L231-I317 HydrophobicContact CD2-CG2 4.02Å; L231-I317 HydrophobicContact CG-CD1 4.39Å; L231-I317 HydrophobicContact CG-CG2 3.96Å; L231-L319 HydrophobicContact CD1-CD2 3Å; L231-L319 HydrophobicContact CD1-CG 4.13Å; L231-L319 HydrophobicContact CD2-CD2 3.75Å; L231-L319 HydrophobicContact CD2-CG 4.42Å; L231-L319 HydrophobicContact CG-CD2 4.07Å; L231-L328 HydrophobicContact CB-CD1 4.32Å; L231-L328 HydrophobicContact CD1-CB 4.41Å; L231-L328 HydrophobicContact CD1-CD1 3.94Å; L231-L328 HydrophobicContact CD1-CD2 4.05Å; L231-L328 HydrophobicContact CD1-CG 4.37Å; L231-F330 HydrophobicContact CB-CE1 3.53Å; L231-F330 HydrophobicContact CB-CZ 3.87Å; L231-F330 HydrophobicContact CD1-CD1 3.92Å; L231-F330 HydrophobicContact CD1-CE1 3.03Å; L231-F330 HydrophobicContact CD1-CZ 3.46Å; L231-F330 VanDerWaalsContact CD1-CZ 3.46Å; L231-F330 HydrophobicContact CG-CD1 4.14Å; L231-F330 HydrophobicContact CG-CE1 3.25Å; L231-F330 HydrophobicContact CG-CZ 3.97Å
232F47.2Very low48.8Very low82 Ų8288.5 Ų88.536%0.3642%0.419SS..Hα-helixtrans-60-40.6-163.3-53.5-63.5000112.9V104 A230 A236 L328V104-F232 HydrophobicContact CG2-CD1 3.78Å; V104-F232 HydrophobicContact CG2-CE1 4.03Å; A230-F232 HydrophobicContact CB-CD2 3.76Å; A230-F232 HydrophobicContact CB-CE2 4.41Å; A230-F232 PolarHBondContact O-N 3.1Å; F232-A236 WeakPolarHBondContact O-CB 3.47Å; F232-A236 PolarHBondContact O-N 3.47Å; F232-L328 HydrophobicContact CE2-CD1 4.11Å; F232-L328 HydrophobicContact CZ-CD1 4.04Å
233P51.8Low49.4Very low87 Ų8783.5 Ų83.557%0.56541%0.409SS*.Hα-helixtrans-66.4-35.9173.5-20.836000113.2A230 D237A230-P233 WeakPolarHBondContact O-CD 3.16Å; P233-D237 WeakPolarHBondContact O-CB 3.47Å; P233-D237 PolarHBondContact O-N 3.49Å
234L51.6Low50.2Low22 Ų2280.7 Ų80.712%0.11540%0.4CS..Hα-helixtrans-76.3-34.2179.5-68.6176.5000112.5L231 Y240 L300 I317 I332L231-L234 PolarHBondContact O-N 2.75Å; L234-Y240 HydrophobicContact CD2-CD2 4.38Å; L234-Y240 HydrophobicContact CD2-CE2 3.86Å; L234-L300 HydrophobicContact CB-CD1 3.99Å; L234-I317 HydrophobicContact CB-CD1 4.35Å; L234-I317 HydrophobicContact CD1-CD1 4.01Å; L234-I332 HydrophobicContact CD1-CD1 3.7Å; L234-I332 HydrophobicContact CD1-CG1 3.95Å
235L52.9Low51.1Low52 Ų5274 Ų7427%0.27238%0.377SS..Hα-helixtrans-74.3-28.6173.7-68.2-176.5000113L231 I242 V298 L300L231-L235 HydrophobicContact CB-CD1 4.04Å; L231-L235 HydrophobicContact CB-CG 4.24Å; L231-L235 HydrophobicContact CD2-CD1 3.38Å; L231-L235 HydrophobicContact CD2-CD2 3.87Å; L231-L235 HydrophobicContact CD2-CG 3.58Å; L231-L235 HydrophobicContact CG-CD1 4.28Å; L231-L235 HydrophobicContact CG-CG 4.38Å; L231-L235 PolarHBondContact O-N 2.7Å; L235-I242 HydrophobicContact CD2-CD1 4.04Å; L235-I242 HydrophobicContact CD2-CG1 4.14Å; L235-V298 HydrophobicContact CD2-CG1 4.5Å; L235-L300 HydrophobicContact CD2-CD1 4.27Å; L235-L300 HydrophobicContact CD2-CD2 3.86Å
236A51.7Low52.2Low33 Ų3372.7 Ų72.727%0.27336%0.364SS..Hα-helixtrans-82.4-20.5176.400000113V140 F232 Q238V140-A236 HydrophobicContact CB-CB 4.43Å; V140-A236 HydrophobicContact CG1-CB 3.47Å; V140-A236 VanDerWaalsContact CG1-CB 3.47Å; F232-A236 WeakPolarHBondContact O-CB 3.47Å; F232-A236 PolarHBondContact O-N 3.47Å; A236-Q238 PolarHBondContact O-N 2.81Å
237D57.9Low53.2Low33 Ų3371.5 Ų71.518%0.17637%0.366CS..  trans-74.8115.3-175-175.7-15.7000109.9P233 R239 Y240P233-D237 WeakPolarHBondContact O-CB 3.47Å; P233-D237 PolarHBondContact O-N 3.49Å; D237-R239 PolarHBondContact O-N 3.33Å; D237-R239 WeakPolarHBondContact OD1-CB 3.38Å; D237-R239 WeakPolarHBondContact OD1-CG 3.46Å; D237-R239 PolarHBondContact OD1-N 3.45Å; D237-R239 IonicContact OD1-NE 2.84Å; D237-R239 PolarHBondContact OD1-NE 2.87Å; D237-R239 IonicContact OD2-CZ 2.94Å; D237-R239 VanDerWaalsContact OD2-CZ 3.25Å; D237-R239 IonicContact OD2-NE 3.26Å; D237-R239 PolarHBondContact OD2-NE 3.24Å; D237-R239 IonicContact OD2-NH2 2.64Å; D237-R239 PolarHBondContact OD2-NH2 3.19Å; D237-Y240 HydrophobicContact CB-CD2 3.8Å; D237-Y240 HydrophobicContact CB-CE2 4.36Å; D237-Y240 PolarHBondContact O-N 3.42Å
238Q63.9Low54.2Low174 Ų17463.9 Ų63.981%0.81334%0.338SS*.THydrogen-bonded Turntrans-60.2-17.5-179.8-62.1178.84.500113.1A236 Y240A236-Q238 PolarHBondContact O-N 2.81Å; Q238-Y240 PolarHBondContact O-N 3.15Å
239R58.8Low55.2Low126 Ų12665.5 Ų65.548%0.47535%0.348SS..THydrogen-bonded Turntrans-74.2-9.1172.8-56.6177.4-62.8175.61.9112D237 K302 R303D237-R239 PolarHBondContact O-N 3.33Å; D237-R239 WeakPolarHBondContact OD1-CB 3.38Å; D237-R239 WeakPolarHBondContact OD1-CG 3.46Å; D237-R239 PolarHBondContact OD1-N 3.45Å; D237-R239 IonicContact OD1-NE 2.84Å; D237-R239 PolarHBondContact OD1-NE 2.87Å; D237-R239 IonicContact OD2-CZ 2.94Å; D237-R239 VanDerWaalsContact OD2-CZ 3.25Å; D237-R239 IonicContact OD2-NE 3.26Å; D237-R239 PolarHBondContact OD2-NE 3.24Å; D237-R239 IonicContact OD2-NH2 2.64Å; D237-R239 PolarHBondContact OD2-NH2 3.19Å; R239-K302 CarbonylContact O-C 3.59Å; R239-K302 VanDerWaalsContact O-C 3.31Å; R239-K302 WeakPolarHBondContact O-CA 3.35Å; R239-K302 WeakPolarHBondContact O-CG 3.15Å; R239-R303 PolarHBondContact O-N 3.27Å
240Y62Low55.7Low34 Ų3462.4 Ų62.413%0.13335%0.345CS..EExtended strand (participates in β ladder)trans-114.9136.7175.2-64.7-89.5000110.3L234 D237 Q238 L300 R301 K302 C315L234-Y240 HydrophobicContact CD2-CD2 4.38Å; L234-Y240 HydrophobicContact CD2-CE2 3.86Å; D237-Y240 HydrophobicContact CB-CD2 3.8Å; D237-Y240 HydrophobicContact CB-CE2 4.36Å; D237-Y240 PolarHBondContact O-N 3.42Å; Q238-Y240 PolarHBondContact O-N 3.15Å; Y240-L300 HydrophobicContact CD1-CB 4.2Å; Y240-L300 HydrophobicContact CG-CD1 4.5Å; Y240-R301 CarbonylContact C-O 3.57Å; Y240-R301 WeakPolarHBondContact CA-O 3.47Å; Y240-K302 HydrophobicContact CD1-CB 3.96Å; Y240-K302 HydrophobicContact CD1-CG 4.32Å; Y240-K302 HydrophobicContact CE1-CB 3.74Å; Y240-K302 HydrophobicContact CE1-CD 4.39Å; Y240-K302 HydrophobicContact CE1-CG 3.94Å; Y240-C315 HydrophobicContact CE1-CB 4.18Å; Y240-C315 VanDerWaalsContact CE1-SG 3.59Å
241E61.8Low56.3Low88 Ų8869 Ų6941%0.41137%0.365SS..EExtended strand (participates in β ladder)trans-113.6131.1172.3-179.5169171.300108.8V243 L300 R301 R303E241-V243 PolarHBondContact O-N 2.87Å; E241-V243 VanDerWaalsContact O-N 3.15Å; E241-L300 CarbonylContact O-C 3.54Å; E241-L300 WeakPolarHBondContact O-CA 2.99Å; E241-R301 PolarHBondContact N-O 2.8Å; E241-R301 PolarHBondContact O-N 3.13Å; E241-R303 HydrophobicContact CB-CG 4.19Å; E241-R303 IonicContact OE1-NH2 3.08Å; E241-R303 IonicContact OE2-CZ 2.88Å; E241-R303 VanDerWaalsContact OE2-CZ 3.28Å; E241-R303 IonicContact OE2-NE 3.05Å; E241-R303 PolarHBondContact OE2-NE 3.15Å; E241-R303 IonicContact OE2-NH2 3.44Å; E241-R303 PolarHBondContact OE2-NH2 3.33Å
242I63.3Low56.9Low68 Ų6870.5 Ų70.535%0.34938%0.375SS..EExtended strand (participates in β ladder)trans-70.3110.6172.9-56.9170.2000107.6F138 L235 V298 L300F138-I242 HydrophobicContact CD2-CD1 4.25Å; L235-I242 HydrophobicContact CD2-CD1 4.04Å; L235-I242 HydrophobicContact CD2-CG1 4.14Å; I242-V298 HydrophobicContact CG2-CG1 4.19Å; I242-L300 HydrophobicContact CB-CD2 4.11Å; I242-L300 HydrophobicContact CG1-CD2 3.54Å; I242-L300 HydrophobicContact CG2-CD2 4.46Å
243V56.3Low57.2Low81 Ų8169.9 Ų69.949%0.49138%0.378SS..EExtended strand (participates in β ladder)trans-81.5-42.7179.2-177.40000110.8E241 I299 R301E241-V243 PolarHBondContact O-N 2.87Å; E241-V243 VanDerWaalsContact O-N 3.15Å; V243-I299 HydrophobicContact CB-CB 4.47Å; V243-I299 HydrophobicContact CB-CG2 4.21Å; V243-I299 PolarHBondContact N-O 2.93Å; V243-R301 HydrophobicContact CG2-CB 3.23Å; V243-R301 HydrophobicContact CG2-CG 4.43Å
244K59.1Low57.2Low56 Ų5667 Ų6724%0.24336%0.358CS..EExtended strand (participates in β ladder)trans-158.5137.8-175.4-147173.1-171.1179.10111.1L246 L270 N271 A273 V298 I299K244-L246 HydrophobicContact CD-CD1 4.06Å; K244-L246 HydrophobicContact CD-CD2 4.25Å; K244-L246 HydrophobicContact CD-CG 4.2Å; K244-L246 HydrophobicContact CG-CD1 4.48Å; K244-L246 HydrophobicContact CG-CD2 4.33Å; K244-L246 HydrophobicContact CG-CG 4.15Å; K244-L270 PolarHBondContact NZ-O 3.26Å; K244-N271 PolarHBondContact NZ-O 3.17Å; K244-A273 HydrophobicContact CD-CB 3.54Å; K244-V298 CarbonylContact O-C 3.55Å; K244-V298 WeakPolarHBondContact O-CA 3.19Å; K244-I299 HydrophobicContact CB-CB 4.42Å; K244-I299 HydrophobicContact CB-CD1 4.3Å; K244-I299 PolarHBondContact N-O 3.14Å; K244-I299 PolarHBondContact O-N 3.26Å
245A56.8Low57.2Low46 Ų4672.9 Ų72.938%0.3839%0.389SS..EExtended strand (participates in β ladder)trans-119.9122.4167.600000108.7L297 V298A245-L297 CarbonylContact C-O 3.54Å; A245-L297 VanDerWaalsContact CA-O 3.29Å; A245-L297 WeakPolarHBondContact CA-O 3.44Å; A245-V298 HydrophobicContact CB-CG2 4.29Å
246L57.1Low57.3Low35 Ų3577.7 Ų77.718%0.18341%0.408CS..EExtended strand (participates in β ladder)trans-120.9120-176.6-65.7166.6000108.9K244 L248 L270 K296 L297K244-L246 HydrophobicContact CD-CD1 4.06Å; K244-L246 HydrophobicContact CD-CD2 4.25Å; K244-L246 HydrophobicContact CD-CG 4.2Å; K244-L246 HydrophobicContact CG-CD1 4.48Å; K244-L246 HydrophobicContact CG-CD2 4.33Å; K244-L246 HydrophobicContact CG-CG 4.15Å; L246-L248 PolarHBondContact O-N 2.69Å; L246-L270 HydrophobicContact CB-CD1 4.43Å; L246-L270 HydrophobicContact CD1-CB 3.85Å; L246-L270 HydrophobicContact CD1-CD1 3.71Å; L246-L270 HydrophobicContact CD1-CG 4.46Å; L246-L270 HydrophobicContact CG-CD1 4.49Å; L246-K296 CarbonylContact O-C 3.55Å; L246-K296 VanDerWaalsContact O-CA 3.27Å; L246-K296 WeakPolarHBondContact O-CA 3.48Å; L246-L297 HydrophobicContact CB-CB 4.26Å; L246-L297 HydrophobicContact CD1-CD2 4.33Å; L246-L297 PolarHBondContact N-O 2.64Å; L246-L297 PolarHBondContact O-N 3.41Å
247S57.7Low57.7Low90 Ų9076.6 Ų76.663%0.62940%0.397SS*.EExtended strand (participates in β ladder)trans-82.5117.5170.4-620000108.7R295S247-R295 CarbonylContact C-O 3.52Å; S247-R295 WeakPolarHBondContact CA-O 3.28Å
248L59.2Low57.6Low12 Ų1280.4 Ų80.46%0.06342%0.417CS..EExtended strand (participates in β ladder)trans-94.7121.2175.3-56.2178.8000109.3L246 L257 L270 L287 R295L246-L248 PolarHBondContact O-N 2.69Å; L248-L257 HydrophobicContact CD2-CD2 3.84Å; L248-L270 HydrophobicContact CD2-CD1 3.49Å; L248-L270 VanDerWaalsContact CD2-CD1 3.49Å; L248-L287 HydrophobicContact CD1-CD2 4.3Å; L248-R295 HydrophobicContact CB-CB 4.07Å; L248-R295 HydrophobicContact CD1-CB 4.36Å; L248-R295 PolarHBondContact N-O 3.15Å; L248-R295 PolarHBondContact O-N 3.04Å
249P57.2Low57.3Low76 Ų7673.3 Ų73.349%0.49439%0.386SS..PPolyproline II helixtrans-58.4147.9172-14.619000111.9K251 V252P249-K251 PolarHBondContact O-N 3.43Å; P249-V252 HydrophobicContact CB-CG2 3.82Å; P249-V252 HydrophobicContact CG-CG2 3.59Å; P249-V252 PolarHBondContact O-N 3.13Å; P249-V252 VanDerWaalsContact O-N 3.08Å
250P54.7Low57.1Low65 Ų6571.1 Ų71.142%0.42239%0.387SS..THydrogen-bonded Turntrans-60.7-17.1-173.921.3-32.2000115.1
251K55.3Low56.8Low185 Ų18575.3 Ų75.380%0.80441%0.408SS*.THydrogen-bonded Turntrans-108.58.6-177.8-64.6-177.2178.91790113.8P249 T253P249-K251 PolarHBondContact O-N 3.43Å; K251-T253 PolarHBondContact O-N 2.86Å; K251-T253 VanDerWaalsContact O-N 3.14Å
252V58.5Low56.4Low35 Ų3574.6 Ų74.621%0.21240%0.404CS..  trans-73.5108.6177.4173.20000109.3P249 K256 L257P249-V252 HydrophobicContact CB-CG2 3.82Å; P249-V252 HydrophobicContact CG-CG2 3.59Å; P249-V252 PolarHBondContact O-N 3.13Å; P249-V252 VanDerWaalsContact O-N 3.08Å; V252-K256 HydrophobicContact CG1-CB 4.16Å; V252-L257 HydrophobicContact CG1-CD1 4.43Å; V252-L257 HydrophobicContact CG1-CD2 3.59Å; V252-L257 HydrophobicContact CG1-CG 3.78Å
253T53.4Low55.5Low69 Ų6977.9 Ų77.942%0.42343%0.43SS..  trans-73.2153.1163.858.10000109.2K251 D255 K256K251-T253 PolarHBondContact O-N 2.86Å; K251-T253 VanDerWaalsContact O-N 3.14Å; T253-D255 WeakPolarHBondContact CB-OD2 3.27Å; T253-D255 PolarHBondContact O-N 2.78Å; T253-D255 VanDerWaalsContact O-N 3.11Å; T253-D255 PolarHBondContact OG1-OD2 3.42Å; T253-K256 PolarHBondContact O-N 2.71Å
254L51.7Low55Low28 Ų2878.8 Ų78.815%0.14743%0.432CS..G310 helixtrans-55.4-28.3179.8-126.2148.5000112.2K256 L257 V259 F283 H284 L287L254-K256 PolarHBondContact O-N 2.77Å; L254-L257 HydrophobicContact CG-CD1 4.44Å; L254-L257 WeakPolarHBondContact O-CA 3.05Å; L254-L257 WeakPolarHBondContact O-CB 2.89Å; L254-L257 PolarHBondContact O-N 2.75Å; L254-V259 HydrophobicContact CD2-CB 4.28Å; L254-V259 HydrophobicContact CD2-CG2 3.75Å; L254-F283 HydrophobicContact CD1-CD1 4.09Å; L254-F283 HydrophobicContact CD1-CE1 4.33Å; L254-F283 HydrophobicContact CD2-CD1 3.81Å; L254-F283 HydrophobicContact CD2-CE1 3.74Å; L254-F283 HydrophobicContact CG-CD1 4.18Å; L254-F283 HydrophobicContact CG-CE1 3.99Å; L254-H284 HydrophobicContact CD1-CB 3.8Å; L254-L287 HydrophobicContact CD1-CB 4.3Å; L254-L287 HydrophobicContact CD1-CD1 3.38Å; L254-L287 HydrophobicContact CD1-CG 4.4Å; L254-L287 HydrophobicContact CD2-CD1 4.39Å; L254-L287 HydrophobicContact CG-CD1 3.45Å; L254-L287 VanDerWaalsContact CG-CD1 3.45Å
255D51.9Low54.1Low144 Ų14477.8 Ų77.877%0.7744%0.437SS*.G310 helixtrans-65.8-15.6178.4-21.3-51.5000112.9T253T253-D255 WeakPolarHBondContact CB-OD2 3.27Å; T253-D255 PolarHBondContact O-N 2.78Å; T253-D255 VanDerWaalsContact O-N 3.11Å; T253-D255 PolarHBondContact OG1-OD2 3.42Å
256K55.1Low53.5Low153 Ų15375.6 Ų75.667%0.66542%0.419SS*.G310 helixtrans-100-1.6172.5-60.6-175.7-179.8-173.60112.9V252 T253 L254V252-K256 HydrophobicContact CG1-CB 4.16Å; T253-K256 PolarHBondContact O-N 2.71Å; L254-K256 PolarHBondContact O-N 2.77Å
257L59.4Low53.3Low11 Ų1173.9 Ų73.96%0.05841%0.411CS..SBendtrans-98.4119.7171.6-57.8177.5000106.8L248 V252 L254 V259 L270 F283 L287L248-L257 HydrophobicContact CD2-CD2 3.84Å; V252-L257 HydrophobicContact CG1-CD1 4.43Å; V252-L257 HydrophobicContact CG1-CD2 3.59Å; V252-L257 HydrophobicContact CG1-CG 3.78Å; L254-L257 HydrophobicContact CG-CD1 4.44Å; L254-L257 WeakPolarHBondContact O-CA 3.05Å; L254-L257 WeakPolarHBondContact O-CB 2.89Å; L254-L257 PolarHBondContact O-N 2.75Å; L257-V259 VanDerWaalsContact C-N 3.27Å; L257-V259 HydrophobicContact CB-CG2 3.73Å; L257-V259 PolarHBondContact O-N 2.73Å; L257-L270 HydrophobicContact CB-CD2 4.47Å; L257-L270 HydrophobicContact CB-CG 4.46Å; L257-L270 HydrophobicContact CD2-CD1 3.51Å; L257-L270 HydrophobicContact CD2-CD2 3.53Å; L257-L270 HydrophobicContact CD2-CG 3.57Å; L257-F283 HydrophobicContact CD1-CE1 3.99Å; L257-F283 HydrophobicContact CD1-CZ 4.02Å; L257-L287 HydrophobicContact CD1-CD1 3.85Å
258D57Low53.2Low112 Ų11270.3 Ų70.360%0.59939%0.385SS*.  trans-6595167.6-71.3-27.7000107.9V269 L270D258-V269 CarbonylContact O-C 3.5Å; D258-V269 VanDerWaalsContact O-CA 3.27Å; D258-V269 WeakPolarHBondContact O-CA 3.24Å; D258-L270 PolarHBondContact O-N 3.49Å
259V57.8Low53.2Low25 Ų2569.8 Ų69.815%0.15238%0.382CS..EExtended strand (participates in β ladder)trans-110.899.1177-177.20000108.2L254 L257 L267 T268 V269 F283L254-V259 HydrophobicContact CD2-CB 4.28Å; L254-V259 HydrophobicContact CD2-CG2 3.75Å; L257-V259 VanDerWaalsContact C-N 3.27Å; L257-V259 HydrophobicContact CB-CG2 3.73Å; L257-V259 PolarHBondContact O-N 2.73Å; V259-L267 HydrophobicContact CG1-CB 4.28Å; V259-L267 HydrophobicContact CG1-CD1 4.44Å; V259-L267 HydrophobicContact CG1-CD2 3.7Å; V259-L267 HydrophobicContact CG1-CG 4.36Å; V259-T268 CarbonylContact C-O 3.48Å; V259-T268 WeakPolarHBondContact CA-O 3.06Å; V259-V269 HydrophobicContact CG1-CG2 4.3Å; V259-V269 HydrophobicContact CG2-CB 4.49Å; V259-V269 HydrophobicContact CG2-CG1 4.19Å; V259-V269 HydrophobicContact CG2-CG2 4.1Å; V259-F283 HydrophobicContact CG2-CD1 4.46Å; V259-F283 HydrophobicContact CG2-CE1 3.85Å
260T54.6Low53.1Low80 Ų8067.8 Ų67.849%0.49137%0.367SS..EExtended strand (participates in β ladder)trans-104.3128.1174.543.10000110.2L267 T268T260-L267 CarbonylContact O-C 3.53Å; T260-L267 WeakPolarHBondContact O-CA 3.1Å; T260-T268 PolarHBondContact N-O 2.79Å; T260-T268 PolarHBondContact O-N 2.78Å; T260-T268 WeakPolarHBondContact OG1-CB 3.02Å
261E55.1Low52.9Low123 Ų12371.5 Ų71.558%0.57538%0.383SS*.EExtended strand (participates in β ladder)trans-76.2124.9171.8-165.3163.2-168.500108.5G266 L267E261-G266 CarbonylContact C-O 3.42Å; E261-G266 WeakPolarHBondContact CA-O 2.9Å; E261-L267 HydrophobicContact CB-CD2 4.26Å; E261-L267 HydrophobicContact CG-CD2 4.41Å
262Q53.2Low52.4Low73 Ų7365.6 Ų65.634%0.34138%0.375SS..  trans-81.9148.7175.7-70.6-74.9-13.800108.6N264 G265 G266 T268Q262-N264 WeakPolarHBondContact CB-OD1 3Å; Q262-N264 PolarHBondContact O-N 2.73Å; Q262-G265 PolarHBondContact O-N 3.43Å; Q262-G266 PolarHBondContact N-O 3.16Å; Q262-T268 WeakPolarHBondContact CG-OG1 3.33Å; Q262-T268 PolarHBondContact NE2-OG1 3.37Å
263P45Very low51.9Low137 Ų13764.3 Ų64.389%0.8937%0.368SS*.THydrogen-bonded Turntrans-59.5-15.5-179.521.3-31.1000113.9G265P263-G265 VanDerWaalsContact C-N 3.33Å
264N45.2Very low51.4Low99 Ų9963.1 Ų63.153%0.52936%0.362SS..THydrogen-bonded Turntrans-88.211.5173.767.6-1.3000114.3Q262 G266Q262-N264 WeakPolarHBondContact CB-OD1 3Å; Q262-N264 PolarHBondContact O-N 2.73Å; N264-G266 VanDerWaalsContact C-N 3.29Å; N264-G266 PolarHBondContact O-N 3.44Å; N264-G266 PolarHBondContact OD1-N 3.1Å; N264-G266 VanDerWaalsContact OD1-N 3.08Å
265G40.5Very low51.4Low35 Ų3561.8 Ų61.836%0.36136%0.355SS..SBendtrans75.911.4-177.600000114.6Q262 P263Q262-G265 PolarHBondContact O-N 3.43Å; P263-G265 VanDerWaalsContact C-N 3.33Å
266G44.3Very low51.1Low0 Ų056.4 Ų56.40%033%0.327CS..  trans-84.2160170.400000113.3E261 Q262 N264E261-G266 CarbonylContact C-O 3.42Å; E261-G266 WeakPolarHBondContact CA-O 2.9Å; Q262-G266 PolarHBondContact N-O 3.16Å; N264-G266 VanDerWaalsContact C-N 3.29Å; N264-G266 PolarHBondContact O-N 3.44Å; N264-G266 PolarHBondContact OD1-N 3.1Å; N264-G266 VanDerWaalsContact OD1-N 3.08Å
267L52.9Low50.7Low0 Ų050.6 Ų50.60%031%0.311CS..EExtended strand (participates in β ladder)trans-110.7114.6171.7-69.7170.7000110.2V259 T260 E261 V269 C274 C275 M278 K280 F283V259-L267 HydrophobicContact CG1-CB 4.28Å; V259-L267 HydrophobicContact CG1-CD1 4.44Å; V259-L267 HydrophobicContact CG1-CD2 3.7Å; V259-L267 HydrophobicContact CG1-CG 4.36Å; T260-L267 CarbonylContact O-C 3.53Å; T260-L267 WeakPolarHBondContact O-CA 3.1Å; E261-L267 HydrophobicContact CB-CD2 4.26Å; E261-L267 HydrophobicContact CG-CD2 4.41Å; L267-V269 HydrophobicContact CB-CG2 4.18Å; L267-V269 PolarHBondContact O-N 2.81Å; L267-C274 CarbonylContact O-C 3.45Å; L267-C275 HydrophobicContact CB-CB 4.21Å; L267-C275 PolarHBondContact N-O 3.11Å; L267-C275 VanDerWaalsContact O-CA 3.3Å; L267-C275 WeakPolarHBondContact O-CA 3.46Å; L267-C275 WeakPolarHBondContact O-CB 3.43Å; L267-C275 PolarHBondContact O-N 3.46Å; L267-M278 HydrophobicContact CD1-CB 4.04Å; L267-M278 HydrophobicContact CD1-CG 4.18Å; L267-M278 WeakPolarHBondContact CD1-O 3.14Å; L267-M278 WeakPolarHBondContact CG-O 3.11Å; L267-K280 HydrophobicContact CD2-CB 4Å; L267-F283 HydrophobicContact CD1-CB 3.69Å; L267-F283 HydrophobicContact CD1-CG 4.16Å
268T55.6Low50.4Low15 Ų1550.1 Ų50.19%0.09231%0.309CS..EExtended strand (participates in β ladder)trans-78.6112.2165.3-560000109.2V259 T260 Q262 A273V259-T268 CarbonylContact C-O 3.48Å; V259-T268 WeakPolarHBondContact CA-O 3.06Å; T260-T268 PolarHBondContact N-O 2.79Å; T260-T268 PolarHBondContact O-N 2.78Å; T260-T268 WeakPolarHBondContact OG1-CB 3.02Å; Q262-T268 WeakPolarHBondContact CG-OG1 3.33Å; Q262-T268 PolarHBondContact NE2-OG1 3.37Å; T268-A273 CarbonylContact C-O 3.48Å; T268-A273 WeakPolarHBondContact CA-O 3.39Å
269V59.2Low50.5Low0 Ų048.5 Ų48.50%030%0.303CS..EExtended strand (participates in β ladder)trans-108.7130.6178.6-1770000108.8D258 V259 L267 A273 C275 F283 L297D258-V269 CarbonylContact O-C 3.5Å; D258-V269 VanDerWaalsContact O-CA 3.27Å; D258-V269 WeakPolarHBondContact O-CA 3.24Å; V259-V269 HydrophobicContact CG1-CG2 4.3Å; V259-V269 HydrophobicContact CG2-CB 4.49Å; V259-V269 HydrophobicContact CG2-CG1 4.19Å; V259-V269 HydrophobicContact CG2-CG2 4.1Å; L267-V269 HydrophobicContact CB-CG2 4.18Å; L267-V269 PolarHBondContact O-N 2.81Å; V269-A273 PolarHBondContact N-O 2.81Å; V269-A273 WeakPolarHBondContact O-CA 3.44Å; V269-A273 WeakPolarHBondContact O-CB 3.38Å; V269-A273 PolarHBondContact O-N 3.48Å; V269-A273 VanDerWaalsContact O-N 3.15Å; V269-C275 HydrophobicContact CG2-CB 4.32Å; V269-F283 HydrophobicContact CG1-CE2 4.38Å; V269-F283 HydrophobicContact CG1-CZ 3.83Å; V269-F283 HydrophobicContact CG2-CE1 4.47Å; V269-F283 HydrophobicContact CG2-CE2 4Å; V269-F283 HydrophobicContact CG2-CZ 3.98Å; V269-L297 HydrophobicContact CG1-CD2 4.41Å
270L55.5Low50.7Low35 Ų3553 Ų5318%0.18332%0.32CS..THydrogen-bonded Turntrans52.895.6165.7-73.6175.2000115.8K244 L246 L248 L257 D258 G272K244-L270 PolarHBondContact NZ-O 3.26Å; L246-L270 HydrophobicContact CB-CD1 4.43Å; L246-L270 HydrophobicContact CD1-CB 3.85Å; L246-L270 HydrophobicContact CD1-CD1 3.71Å; L246-L270 HydrophobicContact CD1-CG 4.46Å; L246-L270 HydrophobicContact CG-CD1 4.49Å; L248-L270 HydrophobicContact CD2-CD1 3.49Å; L248-L270 VanDerWaalsContact CD2-CD1 3.49Å; L257-L270 HydrophobicContact CB-CD2 4.47Å; L257-L270 HydrophobicContact CB-CG 4.46Å; L257-L270 HydrophobicContact CD2-CD1 3.51Å; L257-L270 HydrophobicContact CD2-CD2 3.53Å; L257-L270 HydrophobicContact CD2-CG 3.57Å; D258-L270 PolarHBondContact O-N 3.49Å; L270-G272 PolarHBondContact O-N 3.33Å
271N49.1Very low51.1Low142 Ų14257 Ų5776%0.75933%0.334SS*.THydrogen-bonded Turntrans52.853174.2-68.2-14.2000112.2K244 A273K244-N271 PolarHBondContact NZ-O 3.17Å; N271-A273 PolarHBondContact O-N 3.13Å
272G45.2Very low51.5Low61 Ų6154.6 Ų54.663%0.62932%0.32SS*.THydrogen-bonded Turntrans81.810.517000000116.7L270 C274L270-G272 PolarHBondContact O-N 3.33Å; G272-C274 PolarHBondContact O-N 2.8Å; G272-C274 VanDerWaalsContact O-N 3.12Å
273A47.5Very low52.1Low9 Ų951.1 Ų51.17%0.07430%0.304CS..EExtended strand (participates in β ladder)trans-79.198.2176.300000110.4K244 T268 V269 N271 C275 I299K244-A273 HydrophobicContact CD-CB 3.54Å; T268-A273 CarbonylContact C-O 3.48Å; T268-A273 WeakPolarHBondContact CA-O 3.39Å; V269-A273 PolarHBondContact N-O 2.81Å; V269-A273 WeakPolarHBondContact O-CA 3.44Å; V269-A273 WeakPolarHBondContact O-CB 3.38Å; V269-A273 PolarHBondContact O-N 3.48Å; V269-A273 VanDerWaalsContact O-N 3.15Å; N271-A273 PolarHBondContact O-N 3.13Å; A273-C275 PolarHBondContact O-N 3.2Å; A273-I299 HydrophobicContact CB-CD1 3.5Å; A273-I299 VanDerWaalsContact CB-CD1 3.5Å
274C43.7Very low53Low43 Ų4349.2 Ų49.229%0.29128%0.283SS..EExtended strand (participates in β ladder)trans-74.9113.1178-159.50000110.8L267 G272 V276 L314L267-C274 CarbonylContact O-C 3.45Å; G272-C274 PolarHBondContact O-N 2.8Å; G272-C274 VanDerWaalsContact O-N 3.12Å; C274-V276 HydrophobicContact CB-CG2 4.44Å; C274-V276 VanDerWaalsContact SG-CG2 3.59Å; C274-L314 WeakPolarHBondContact O-CD2 3.17Å
275C50.6Low53.9Low0 Ų046.6 Ų46.60%027%0.272CS..EExtended strand (participates in β ladder)trans-93.179.1169.2-65.10000109.1L267 V269 A273 M278 I316L267-C275 HydrophobicContact CB-CB 4.21Å; L267-C275 PolarHBondContact N-O 3.11Å; L267-C275 VanDerWaalsContact O-CA 3.3Å; L267-C275 WeakPolarHBondContact O-CA 3.46Å; L267-C275 WeakPolarHBondContact O-CB 3.43Å; L267-C275 PolarHBondContact O-N 3.46Å; V269-C275 HydrophobicContact CG2-CB 4.32Å; A273-C275 PolarHBondContact O-N 3.2Å; C275-M278 HydrophobicContact CB-CE 4.26Å; C275-I316 HydrophobicContact CB-CD1 3.44Å; C275-I316 VanDerWaalsContact CB-CD1 3.44Å; C275-I316 HydrophobicContact CB-CG1 3.9Å
276V45.6Very low55Low31 Ų3145.7 Ų45.719%0.18826%0.259CS..THydrogen-bonded Turntrans-68.3135.4179.7-172.60000110.7C274 L314 F337C274-V276 HydrophobicContact CB-CG2 4.44Å; C274-V276 VanDerWaalsContact SG-CG2 3.59Å; V276-L314 HydrophobicContact CB-CD2 4.26Å; V276-L314 HydrophobicContact CG2-CD2 4.41Å; V276-L314 VanDerWaalsContact N-CD2 3.26Å; V276-F337 HydrophobicContact CG1-CD1 4.07Å; V276-F337 HydrophobicContact CG1-CD2 3.96Å; V276-F337 HydrophobicContact CG1-CE1 4.09Å; V276-F337 HydrophobicContact CG1-CE2 3.97Å; V276-F337 HydrophobicContact CG1-CG 4.03Å; V276-F337 HydrophobicContact CG1-CZ 4.06Å
277G46.8Very low56Low31 Ų3146.1 Ų46.132%0.3226%0.261SS..THydrogen-bonded Turntrans85.713.2174.400000116.7
278M54.6Low56.5Low2 Ų248.2 Ų48.21%0.0127%0.274CS..  trans-112.1126.1172.6-167.2169.6-10.700109L267 C275 Y282 F283 L286 I316 F318 L333L267-M278 HydrophobicContact CD1-CB 4.04Å; L267-M278 HydrophobicContact CD1-CG 4.18Å; L267-M278 WeakPolarHBondContact CD1-O 3.14Å; L267-M278 WeakPolarHBondContact CG-O 3.11Å; C275-M278 HydrophobicContact CB-CE 4.26Å; M278-Y282 HydrophobicContact CG-CD1 3.7Å; M278-Y282 HydrophobicContact CG-CG 4.48Å; M278-Y282 HydrophobicContact SD-CD1 3.9Å; M278-Y282 HydrophobicContact SD-CE1 4.48Å; M278-F283 HydrophobicContact CE-CD2 4.1Å; M278-F283 HydrophobicContact CG-CB 4.05Å; M278-F283 HydrophobicContact SD-CB 3.67Å; M278-F283 HydrophobicContact SD-CD2 3.59Å; M278-F283 VanDerWaalsContact SD-CD2 3.59Å; M278-F283 HydrophobicContact SD-CG 4.13Å; M278-L286 HydrophobicContact SD-CD1 4.03Å; M278-I316 HydrophobicContact CE-CB 3.92Å; M278-I316 HydrophobicContact CE-CD1 3.58Å; M278-I316 HydrophobicContact CE-CG1 4.2Å; M278-I316 HydrophobicContact CE-CG2 3.77Å; M278-F318 HydrophobicContact CE-CE2 3.79Å; M278-F318 HydrophobicContact CE-CZ 4.04Å; M278-F318 HydrophobicContact SD-CE2 4.04Å; M278-F318 HydrophobicContact SD-CZ 4.11Å; M278-L333 HydrophobicContact CB-CD1 3.66Å; M278-L333 HydrophobicContact CE-CD1 3.92Å; M278-L333 HydrophobicContact CG-CD1 3.74Å; M278-L333 HydrophobicContact SD-CD1 4.12Å
279T58.2Low56.9Low78 Ų7856.4 Ų56.448%0.47930%0.303SS..  trans-75.3150.2173.364.50000110.1Q281 Y282 F283T279-Q281 PolarHBondContact O-N 2.88Å; T279-Q281 VanDerWaalsContact O-N 3.14Å; T279-Y282 PolarHBondContact O-N 3.19Å; T279-Y282 WeakPolarHBondContact OG1-CB 3.08Å; T279-Y282 PolarHBondContact OG1-N 3.11Å; T279-Y282 VanDerWaalsContact OG1-N 3.13Å; T279-F283 PolarHBondContact O-N 3.04Å
280K62.2Low56.8Low118 Ų11857.1 Ų57.151%0.51331%0.308SS..Hα-helixtrans-53-37.4175.6-173.4176.6179.2176.10111.5L267 H284L267-K280 HydrophobicContact CD2-CB 4Å; K280-H284 VanDerWaalsContact O-CB 3.25Å; K280-H284 WeakPolarHBondContact O-CB 3.27Å; K280-H284 PolarHBondContact O-N 3.49Å
281Q64Low56.8Low165 Ų16564.5 Ų64.577%0.77133%0.333SS*.Hα-helixtrans-65.3-43.6176.4-66.8-178.9-7.800112.7T279 H284 S285T279-Q281 PolarHBondContact O-N 2.88Å; T279-Q281 VanDerWaalsContact O-N 3.14Å; Q281-H284 PolarHBondContact O-N 3.35Å; Q281-S285 WeakPolarHBondContact O-CB 3.24Å; Q281-S285 PolarHBondContact O-N 2.85Å
282Y62.6Low57.1Low73 Ų7360.8 Ų60.829%0.28633%0.328SS..Hα-helixtrans-68.2-43177.8-172.9-97.2000111.5M278 T279 H284 S285 L286 L333M278-Y282 HydrophobicContact CG-CD1 3.7Å; M278-Y282 HydrophobicContact CG-CG 4.48Å; M278-Y282 HydrophobicContact SD-CD1 3.9Å; M278-Y282 HydrophobicContact SD-CE1 4.48Å; T279-Y282 PolarHBondContact O-N 3.19Å; T279-Y282 WeakPolarHBondContact OG1-CB 3.08Å; T279-Y282 PolarHBondContact OG1-N 3.11Å; T279-Y282 VanDerWaalsContact OG1-N 3.13Å; Y282-H284 VanDerWaalsContact C-N 3.3Å; Y282-H284 PolarHBondContact O-N 2.75Å; Y282-S285 WeakPolarHBondContact O-CB 3.49Å; Y282-S285 PolarHBondContact O-N 2.84Å; Y282-S285 VanDerWaalsContact O-N 3.15Å; Y282-L286 HydrophobicContact CD1-CD1 3.7Å; Y282-L286 HydrophobicContact CD1-CG 4.19Å; Y282-L286 HydrophobicContact CE1-CD1 3.35Å; Y282-L286 HydrophobicContact CE1-CD2 4.47Å; Y282-L286 HydrophobicContact CE1-CG 3.91Å; Y282-L286 PolarHBondContact O-N 2.81Å; Y282-L333 HydrophobicContact CD1-CD1 4.34Å; Y282-L333 HydrophobicContact CD1-CD2 4.49Å; Y282-L333 HydrophobicContact CE1-CD1 4.13Å; Y282-L333 HydrophobicContact CE1-CD2 3.89Å; Y282-L333 HydrophobicContact CE1-CG 4.26Å
283F65.3Low57.7Low0 Ų062.8 Ų62.80%032%0.317CS..Hα-helixtrans-57.7-44.4172.5-175.4-101.3000111.1L254 L257 V259 L267 V269 M278 T279 S285 L286 L287 F318L254-F283 HydrophobicContact CD1-CD1 4.09Å; L254-F283 HydrophobicContact CD1-CE1 4.33Å; L254-F283 HydrophobicContact CD2-CD1 3.81Å; L254-F283 HydrophobicContact CD2-CE1 3.74Å; L254-F283 HydrophobicContact CG-CD1 4.18Å; L254-F283 HydrophobicContact CG-CE1 3.99Å; L257-F283 HydrophobicContact CD1-CE1 3.99Å; L257-F283 HydrophobicContact CD1-CZ 4.02Å; V259-F283 HydrophobicContact CG2-CD1 4.46Å; V259-F283 HydrophobicContact CG2-CE1 3.85Å; L267-F283 HydrophobicContact CD1-CB 3.69Å; L267-F283 HydrophobicContact CD1-CG 4.16Å; V269-F283 HydrophobicContact CG1-CE2 4.38Å; V269-F283 HydrophobicContact CG1-CZ 3.83Å; V269-F283 HydrophobicContact CG2-CE1 4.47Å; V269-F283 HydrophobicContact CG2-CE2 4Å; V269-F283 HydrophobicContact CG2-CZ 3.98Å; M278-F283 HydrophobicContact CE-CD2 4.1Å; M278-F283 HydrophobicContact CG-CB 4.05Å; M278-F283 HydrophobicContact SD-CB 3.67Å; M278-F283 HydrophobicContact SD-CD2 3.59Å; M278-F283 VanDerWaalsContact SD-CD2 3.59Å; M278-F283 HydrophobicContact SD-CG 4.13Å; T279-F283 PolarHBondContact O-N 3.04Å; F283-S285 PolarHBondContact O-N 3.49Å; F283-L286 PolarHBondContact O-N 3.12Å; F283-L287 HydrophobicContact CD1-CD1 3.65Å; F283-L287 HydrophobicContact CD1-CG 4.36Å; F283-L287 HydrophobicContact CE1-CD1 3.16Å; F283-L287 HydrophobicContact CE1-CG 4.1Å; F283-L287 HydrophobicContact CE2-CD1 4.46Å; F283-L287 HydrophobicContact CG-CD1 4.48Å; F283-L287 HydrophobicContact CZ-CD1 3.62Å; F283-L287 HydrophobicContact CZ-CD2 4.45Å; F283-L287 HydrophobicContact CZ-CG 4.25Å; F283-L287 WeakPolarHBondContact O-CG 3.44Å; F283-L287 PolarHBondContact O-N 2.65Å; F283-F318 HydrophobicContact CD2-CE1 4.22Å; F283-F318 AromaticContact CD2-CZ 3.59Å; F283-F318 HydrophobicContact CD2-CZ 3.59Å; F283-F318 AromaticContact CE2-CE1 3.78Å; F283-F318 HydrophobicContact CE2-CE1 3.78Å; F283-F318 AromaticContact CE2-CZ 3.52Å; F283-F318 HydrophobicContact CE2-CZ 3.52Å
284H65.1Low58.1Low97 Ų9765.4 Ų65.445%0.44933%0.334SS..Hα-helixtrans-61.2-44.1174.3-176.2-79.1000112.1L254 K280 Q281 Y282 L286 L287 T288L254-H284 HydrophobicContact CD1-CB 3.8Å; K280-H284 VanDerWaalsContact O-CB 3.25Å; K280-H284 WeakPolarHBondContact O-CB 3.27Å; K280-H284 PolarHBondContact O-N 3.49Å; Q281-H284 PolarHBondContact O-N 3.35Å; Y282-H284 VanDerWaalsContact C-N 3.3Å; Y282-H284 PolarHBondContact O-N 2.75Å; H284-L286 VanDerWaalsContact C-N 3.34Å; H284-L286 PolarHBondContact O-N 3.27Å; H284-L287 PolarHBondContact O-N 3.25Å; H284-T288 WeakPolarHBondContact CE1-CG2 3.29Å; H284-T288 WeakPolarHBondContact O-CG2 3.47Å; H284-T288 PolarHBondContact O-N 2.98Å; H284-T288 PolarHBondContact O-OG1 3.31Å; H284-T288 VanDerWaalsContact O-OG1 3.13Å
285S64Low59Low44 Ų4464.2 Ų64.231%0.30832%0.324SS..Hα-helixtrans-60.7-40.2176.5-172.50000112.7Q281 Y282 F283 T288 R289Q281-S285 WeakPolarHBondContact O-CB 3.24Å; Q281-S285 PolarHBondContact O-N 2.85Å; Y282-S285 WeakPolarHBondContact O-CB 3.49Å; Y282-S285 PolarHBondContact O-N 2.84Å; Y282-S285 VanDerWaalsContact O-N 3.15Å; F283-S285 PolarHBondContact O-N 3.49Å; S285-T288 WeakPolarHBondContact CA-OG1 3.32Å; S285-T288 PolarHBondContact O-N 2.76Å; S285-T288 PolarHBondContact O-OG1 3.07Å; S285-R289 WeakPolarHBondContact O-CB 3.28Å; S285-R289 VanDerWaalsContact O-CG 3.32Å; S285-R289 WeakPolarHBondContact O-CG 3.07Å; S285-R289 PolarHBondContact O-N 3.06Å
286L63Low59.4Low15 Ų1569.2 Ų69.28%0.07935%0.346CS..Hα-helixtrans-66.6-40.3174.4-74.6175.5000112.1M278 Y282 F283 H284 T290 F318 S331M278-L286 HydrophobicContact SD-CD1 4.03Å; Y282-L286 HydrophobicContact CD1-CD1 3.7Å; Y282-L286 HydrophobicContact CD1-CG 4.19Å; Y282-L286 HydrophobicContact CE1-CD1 3.35Å; Y282-L286 HydrophobicContact CE1-CD2 4.47Å; Y282-L286 HydrophobicContact CE1-CG 3.91Å; Y282-L286 PolarHBondContact O-N 2.81Å; F283-L286 PolarHBondContact O-N 3.12Å; H284-L286 VanDerWaalsContact C-N 3.34Å; H284-L286 PolarHBondContact O-N 3.27Å; L286-T290 VanDerWaalsContact O-CG2 3.28Å; L286-T290 WeakPolarHBondContact O-CG2 3.38Å; L286-T290 PolarHBondContact O-OG1 3.21Å; L286-F318 HydrophobicContact CD1-CD2 3.83Å; L286-F318 HydrophobicContact CD1-CE2 3.46Å; L286-F318 VanDerWaalsContact CD1-CE2 3.46Å; L286-F318 HydrophobicContact CD1-CZ 4.04Å; L286-S331 WeakPolarHBondContact CD2-OG 3.2Å
287L64.5Low60.3Low9 Ų967.8 Ų67.85%0.04734%0.337CS..Hα-helixtrans-72.4-30.9177.3-69.1179.9000113.1L248 L254 L257 F283 H284 T290 R295 F318L248-L287 HydrophobicContact CD1-CD2 4.3Å; L254-L287 HydrophobicContact CD1-CB 4.3Å; L254-L287 HydrophobicContact CD1-CD1 3.38Å; L254-L287 HydrophobicContact CD1-CG 4.4Å; L254-L287 HydrophobicContact CD2-CD1 4.39Å; L254-L287 HydrophobicContact CG-CD1 3.45Å; L254-L287 VanDerWaalsContact CG-CD1 3.45Å; L257-L287 HydrophobicContact CD1-CD1 3.85Å; F283-L287 HydrophobicContact CD1-CD1 3.65Å; F283-L287 HydrophobicContact CD1-CG 4.36Å; F283-L287 HydrophobicContact CE1-CD1 3.16Å; F283-L287 HydrophobicContact CE1-CG 4.1Å; F283-L287 HydrophobicContact CE2-CD1 4.46Å; F283-L287 HydrophobicContact CG-CD1 4.48Å; F283-L287 HydrophobicContact CZ-CD1 3.62Å; F283-L287 HydrophobicContact CZ-CD2 4.45Å; F283-L287 HydrophobicContact CZ-CG 4.25Å; F283-L287 WeakPolarHBondContact O-CG 3.44Å; F283-L287 PolarHBondContact O-N 2.65Å; H284-L287 PolarHBondContact O-N 3.25Å; L287-T290 WeakPolarHBondContact CA-OG1 3.45Å; L287-T290 PolarHBondContact O-OG1 2.97Å; L287-T290 VanDerWaalsContact O-OG1 3.11Å; L287-R295 VanDerWaalsContact O-CZ 3.26Å; L287-R295 PolarHBondContact O-NH1 2.99Å; L287-R295 VanDerWaalsContact O-NH1 3.1Å; L287-R295 PolarHBondContact O-NH2 2.85Å; L287-F318 HydrophobicContact CD2-CE1 4.2Å
288T64.9Low61Low45 Ų4566.8 Ų66.828%0.27632%0.324SS..Hα-helixtrans-73.5-38.2174.951.20000111.8H284 S285 T290 R291H284-T288 WeakPolarHBondContact CE1-CG2 3.29Å; H284-T288 WeakPolarHBondContact O-CG2 3.47Å; H284-T288 PolarHBondContact O-N 2.98Å; H284-T288 PolarHBondContact O-OG1 3.31Å; H284-T288 VanDerWaalsContact O-OG1 3.13Å; S285-T288 WeakPolarHBondContact CA-OG1 3.32Å; S285-T288 PolarHBondContact O-N 2.76Å; S285-T288 PolarHBondContact O-OG1 3.07Å; T288-T290 PolarHBondContact O-N 3.49Å; T288-T290 VanDerWaalsContact O-N 3.07Å; T288-R291 WeakPolarHBondContact O-CG 3.31Å; T288-R291 PolarHBondContact O-N 3.5Å
289R62.5Low61.3Low186 Ų18666.8 Ų66.870%0.70233%0.325SS*.Hα-helixtrans-59.1-19.2174.7-81.1177.9174.1-177.8-0.8114.1S285S285-R289 WeakPolarHBondContact O-CB 3.28Å; S285-R289 VanDerWaalsContact O-CG 3.32Å; S285-R289 WeakPolarHBondContact O-CG 3.07Å; S285-R289 PolarHBondContact O-N 3.06Å
290T57.4Low61.5Low16 Ų1663.1 Ų63.110%0.09830%0.302CS..THydrogen-bonded Turntrans-113.515.6-171.452.90000112.5L286 L287 T288 G292 R295 I320L286-T290 VanDerWaalsContact O-CG2 3.28Å; L286-T290 WeakPolarHBondContact O-CG2 3.38Å; L286-T290 PolarHBondContact O-OG1 3.21Å; L287-T290 WeakPolarHBondContact CA-OG1 3.45Å; L287-T290 PolarHBondContact O-OG1 2.97Å; L287-T290 VanDerWaalsContact O-OG1 3.11Å; T288-T290 PolarHBondContact O-N 3.49Å; T288-T290 VanDerWaalsContact O-N 3.07Å; T290-G292 PolarHBondContact O-N 2.83Å; T290-R295 PolarHBondContact O-NE 3.1Å; T290-R295 PolarHBondContact O-NH2 3.08Å; T290-R295 PolarHBondContact OG1-NE 3.44Å; T290-R295 VanDerWaalsContact OG1-NE 3.11Å; T290-R295 PolarHBondContact OG1-NH1 3.33Å; T290-R295 PolarHBondContact OG1-NH2 2.91Å; T290-I320 HydrophobicContact CG2-CD1 3.24Å; T290-I320 HydrophobicContact CG2-CG1 3.39Å
291R56.6Low61.4Low189 Ų18963.5 Ų63.571%0.71330%0.3SS*.THydrogen-bonded Turntrans-53.1133.9-177.5-86.2178175-176.9-0.2112.2T288 R295T288-R291 WeakPolarHBondContact O-CG 3.31Å; T288-R291 PolarHBondContact O-N 3.5Å; R291-R295 VanDerWaalsContact CA-NH2 3.35Å
292G55.9Low61.3Low64 Ų6457.9 Ų57.966%0.6627%0.273SS*.THydrogen-bonded Turntrans90.4-1.5172.900000116.7T290T290-G292 PolarHBondContact O-N 2.83Å
293R57.4Low61.1Low104 Ų10461 Ų6139%0.39228%0.284SS..SBendtrans-117.9146.2-177.1-59-179.3-171.7-1303.7111.2R295 I320 F322R293-R295 WeakPolarHBondContact O-CG 3.32Å; R293-I320 HydrophobicContact CB-CG2 4.35Å; R293-F322 VanDerWaalsContact CZ-CE1 3.45Å
294S56.2Low60.6Low63 Ų6363.5 Ų63.544%0.44130%0.302SS..  trans-57.9145.3167.349.90000108.3P321S294-P321 WeakPolarHBondContact O-CD 3.42Å; S294-P321 WeakPolarHBondContact O-CG 3.07Å; S294-P321 WeakPolarHBondContact OG-CG 3.47Å
295R61.3Low59.8Low19 Ų1967 Ų677%0.07232%0.319CS..EExtended strand (participates in β ladder)trans-130.9149.6-178.3-38.5175.4-176.5168.3-8.4108.4S247 L248 L287 T290 R291 R293S247-R295 CarbonylContact C-O 3.52Å; S247-R295 WeakPolarHBondContact CA-O 3.28Å; L248-R295 HydrophobicContact CB-CB 4.07Å; L248-R295 HydrophobicContact CD1-CB 4.36Å; L248-R295 PolarHBondContact N-O 3.15Å; L248-R295 PolarHBondContact O-N 3.04Å; L287-R295 VanDerWaalsContact O-CZ 3.26Å; L287-R295 PolarHBondContact O-NH1 2.99Å; L287-R295 VanDerWaalsContact O-NH1 3.1Å; L287-R295 PolarHBondContact O-NH2 2.85Å; T290-R295 PolarHBondContact O-NE 3.1Å; T290-R295 PolarHBondContact O-NH2 3.08Å; T290-R295 PolarHBondContact OG1-NE 3.44Å; T290-R295 VanDerWaalsContact OG1-NE 3.11Å; T290-R295 PolarHBondContact OG1-NH1 3.33Å; T290-R295 PolarHBondContact OG1-NH2 2.91Å; R291-R295 VanDerWaalsContact CA-NH2 3.35Å; R293-R295 WeakPolarHBondContact O-CG 3.32Å
296K60.3Low58.7Low105 Ų10574.4 Ų74.446%0.45735%0.348SS..EExtended strand (participates in β ladder)trans-120.2115.7165-66.5177.5178.8179.20107.6L246 L319L246-K296 CarbonylContact O-C 3.55Å; L246-K296 VanDerWaalsContact O-CA 3.27Å; L246-K296 WeakPolarHBondContact O-CA 3.48Å; K296-L319 CarbonylContact C-O 3.47Å; K296-L319 HydrophobicContact CB-CB 3.81Å; K296-L319 HydrophobicContact CB-CD1 3.65Å; K296-L319 HydrophobicContact CB-CG 4.27Å; K296-L319 HydrophobicContact CD-CD1 4.25Å; K296-L319 PolarHBondContact N-O 3.14Å; K296-L319 CarbonylContact O-C 3.45Å; K296-L319 VanDerWaalsContact O-CA 3.24Å; K296-L319 WeakPolarHBondContact O-CA 3.44Å; K296-L319 WeakPolarHBondContact O-CB 3.37Å; K296-L319 PolarHBondContact O-N 2.89Å
297L63.6Low57.4Low1 Ų178.6 Ų78.61%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-85.6119.9172.1179.864.4000108A245 L246 V269 I299 I316 F318A245-L297 CarbonylContact C-O 3.54Å; A245-L297 VanDerWaalsContact CA-O 3.29Å; A245-L297 WeakPolarHBondContact CA-O 3.44Å; L246-L297 HydrophobicContact CB-CB 4.26Å; L246-L297 HydrophobicContact CD1-CD2 4.33Å; L246-L297 PolarHBondContact N-O 2.64Å; L246-L297 PolarHBondContact O-N 3.41Å; V269-L297 HydrophobicContact CG1-CD2 4.41Å; L297-I299 HydrophobicContact CG-CG1 4.32Å; L297-I316 HydrophobicContact CD1-CG2 3.62Å; L297-F318 HydrophobicContact CD1-CD1 3.59Å; L297-F318 HydrophobicContact CD1-CD2 4.15Å; L297-F318 HydrophobicContact CD1-CE1 3.51Å; L297-F318 HydrophobicContact CD1-CE2 4.06Å; L297-F318 HydrophobicContact CD1-CG 3.92Å; L297-F318 HydrophobicContact CD1-CZ 3.75Å
298V61.1Low56.1Low9 Ų987.4 Ų87.46%0.05541%0.413CS..EExtended strand (participates in β ladder)trans-112.8115.5175.5178.40000108.8L235 I242 K244 A245 L300 I317 L319L235-V298 HydrophobicContact CD2-CG1 4.5Å; I242-V298 HydrophobicContact CG2-CG1 4.19Å; K244-V298 CarbonylContact O-C 3.55Å; K244-V298 WeakPolarHBondContact O-CA 3.19Å; A245-V298 HydrophobicContact CB-CG2 4.29Å; V298-L300 HydrophobicContact CG1-CD2 3.77Å; V298-L300 HydrophobicContact CG1-CG 4.37Å; V298-I317 CarbonylContact C-O 3.31Å; V298-I317 WeakPolarHBondContact CA-O 3.3Å; V298-I317 HydrophobicContact CB-CB 4.32Å; V298-I317 PolarHBondContact N-O 2.88Å; V298-I317 CarbonylContact O-C 3.59Å; V298-I317 VanDerWaalsContact O-CA 3.28Å; V298-I317 WeakPolarHBondContact O-CA 3.36Å; V298-I317 VanDerWaalsContact O-CB 3.32Å; V298-I317 WeakPolarHBondContact O-CB 3.43Å; V298-I317 PolarHBondContact O-N 3.13Å; V298-L319 HydrophobicContact CG2-CD1 3.3Å; V298-L319 HydrophobicContact CG2-CG 3.82Å
299I62Low54.7Low3 Ų389.5 Ų89.52%0.01544%0.443CS..EExtended strand (participates in β ladder)trans-96.7118.9176.5-57.8171.1000107.2V243 K244 A273 L297 L314 I316V243-I299 HydrophobicContact CB-CB 4.47Å; V243-I299 HydrophobicContact CB-CG2 4.21Å; V243-I299 PolarHBondContact N-O 2.93Å; K244-I299 HydrophobicContact CB-CB 4.42Å; K244-I299 HydrophobicContact CB-CD1 4.3Å; K244-I299 PolarHBondContact N-O 3.14Å; K244-I299 PolarHBondContact O-N 3.26Å; A273-I299 HydrophobicContact CB-CD1 3.5Å; A273-I299 VanDerWaalsContact CB-CD1 3.5Å; L297-I299 HydrophobicContact CG-CG1 4.32Å; I299-L314 HydrophobicContact CG2-CD1 3.87Å; I299-L314 HydrophobicContact CG2-CD2 4.43Å; I299-L314 HydrophobicContact CG2-CG 4.29Å; I299-I316 HydrophobicContact CG1-CG2 4.36Å; I299-I316 HydrophobicContact CG2-CG1 4.43Å
300L61.3Low53.6Low1 Ų187.3 Ų87.31%0.00544%0.441CS..EExtended strand (participates in β ladder)trans-101.9139.5171-56.6-170.7000109.6L234 L235 Y240 E241 I242 V298 C315 I317L234-L300 HydrophobicContact CB-CD1 3.99Å; L235-L300 HydrophobicContact CD2-CD1 4.27Å; L235-L300 HydrophobicContact CD2-CD2 3.86Å; Y240-L300 HydrophobicContact CD1-CB 4.2Å; Y240-L300 HydrophobicContact CG-CD1 4.5Å; E241-L300 CarbonylContact O-C 3.54Å; E241-L300 WeakPolarHBondContact O-CA 2.99Å; I242-L300 HydrophobicContact CB-CD2 4.11Å; I242-L300 HydrophobicContact CG1-CD2 3.54Å; I242-L300 HydrophobicContact CG2-CD2 4.46Å; V298-L300 HydrophobicContact CG1-CD2 3.77Å; V298-L300 HydrophobicContact CG1-CG 4.37Å; L300-C315 CarbonylContact C-O 3.59Å; L300-C315 WeakPolarHBondContact CA-O 3.46Å; L300-C315 HydrophobicContact CB-CB 4.22Å; L300-C315 WeakPolarHBondContact CB-O 3.37Å; L300-C315 PolarHBondContact N-O 3Å; L300-C315 CarbonylContact O-C 3.57Å; L300-C315 PolarHBondContact O-N 2.96Å; L300-I317 HydrophobicContact CD1-CD1 3.27Å; L300-I317 HydrophobicContact CD1-CG1 4.2Å; L300-I317 HydrophobicContact CG-CD1 3.72Å; L300-I317 HydrophobicContact CG-CG1 4.21Å
301R60.7Low52.9Low126 Ų12687.7 Ų87.748%0.47544%0.443SS..EExtended strand (participates in β ladder)trans-110.6127.8167.9174.2178-174.2-177.13.6108.2Y240 E241 V243 R303 S312 L314Y240-R301 CarbonylContact C-O 3.57Å; Y240-R301 WeakPolarHBondContact CA-O 3.47Å; E241-R301 PolarHBondContact N-O 2.8Å; E241-R301 PolarHBondContact O-N 3.13Å; V243-R301 HydrophobicContact CG2-CB 3.23Å; V243-R301 HydrophobicContact CG2-CG 4.43Å; R301-R303 PolarHBondContact O-N 3.28Å; R301-S312 PolarHBondContact NH2-OG 2.71Å; R301-S312 VanDerWaalsContact NH2-OG 3.13Å; R301-L314 HydrophobicContact CB-CD1 4.22Å
302K61.6Low52.4Low46 Ų4680.7 Ų80.720%0.242%0.423CS..EExtended strand (participates in β ladder)trans-69.1118.2168.8-164.3-178.1178.1-171.30108R239 Y240 S304 R313R239-K302 CarbonylContact O-C 3.59Å; R239-K302 VanDerWaalsContact O-C 3.31Å; R239-K302 WeakPolarHBondContact O-CA 3.35Å; R239-K302 WeakPolarHBondContact O-CG 3.15Å; Y240-K302 HydrophobicContact CD1-CB 3.96Å; Y240-K302 HydrophobicContact CD1-CG 4.32Å; Y240-K302 HydrophobicContact CE1-CB 3.74Å; Y240-K302 HydrophobicContact CE1-CD 4.39Å; Y240-K302 HydrophobicContact CE1-CG 3.94Å; K302-S304 PolarHBondContact O-N 2.77Å; K302-R313 HydrophobicContact CB-CB 4.04Å; K302-R313 WeakPolarHBondContact CB-O 3.32Å; K302-R313 HydrophobicContact CD-CB 4Å; K302-R313 HydrophobicContact CD-CG 4.36Å; K302-R313 PolarHBondContact N-O 2.97Å
303R58.7Low52.2Low138 Ų13880.7 Ų80.752%0.52140%0.403SS..  trans-61.499.3160.5-68.1-176.4171.2177.2-2.2106.7R239 E241 R301 Q305R239-R303 PolarHBondContact O-N 3.27Å; E241-R303 HydrophobicContact CB-CG 4.19Å; E241-R303 IonicContact OE1-NH2 3.08Å; E241-R303 IonicContact OE2-CZ 2.88Å; E241-R303 VanDerWaalsContact OE2-CZ 3.28Å; E241-R303 IonicContact OE2-NE 3.05Å; E241-R303 PolarHBondContact OE2-NE 3.15Å; E241-R303 IonicContact OE2-NH2 3.44Å; E241-R303 PolarHBondContact OE2-NH2 3.33Å; R301-R303 PolarHBondContact O-N 3.28Å; R303-Q305 PolarHBondContact O-N 2.88Å
304S54.5Low52Low53 Ų5377 Ų7737%0.37139%0.391SS..  trans-63.8121.6164.150.50000106.8K302 Q306 E310K302-S304 PolarHBondContact O-N 2.77Å; S304-Q306 PolarHBondContact O-N 2.8Å; S304-E310 WeakPolarHBondContact CB-O 3.44Å; S304-E310 PolarHBondContact OG-O 3.42Å
305Q48.7Very low51.8Low171 Ų17174.1 Ų74.180%0.79937%0.371SS*.  trans-60.6123.5165.6-100.1174.8-24.100106.2R303 V307R303-Q305 PolarHBondContact O-N 2.88Å; Q305-V307 PolarHBondContact O-N 2.88Å
306Q39.5Very low51.4Low200 Ų20073.2 Ų73.294%0.93537%0.367SS*.SBendtrans-68.573.4-176.2-156.8175.517.700109.2S304S304-Q306 PolarHBondContact O-N 2.8Å
307V37.5Very low51.1Low102 Ų10268.3 Ų68.362%0.61835%0.346SS*.SBendtrans-126.198.8172.1-173.90000104.8Q305Q305-V307 PolarHBondContact O-N 2.88Å
308F36.8Very low50.6Low195 Ų19568.8 Ų68.886%0.85535%0.348SS*.SBendtrans52.289.8172.2-75.2-92.8000116.6E310F308-E310 PolarHBondContact O-N 2.85Å; F308-E310 VanDerWaalsContact O-N 3.13Å
309G35.9Very low50.2Low89 Ų8969.9 Ų69.992%0.91835%0.353SS*.SBendtrans7210.4147.600000119.7
310E38.6Very low49.6Very low139 Ų13970.3 Ų70.365%0.6536%0.356SS*.  trans-112.3121.8-170.8-75.9-172.8158.700116.8S304 F308S304-E310 WeakPolarHBondContact CB-O 3.44Å; S304-E310 PolarHBondContact OG-O 3.42Å; F308-E310 PolarHBondContact O-N 2.85Å; F308-E310 VanDerWaalsContact O-N 3.13Å
311V43.4Very low48.8Very low24 Ų2472.9 Ų72.915%0.14537%0.372CS..  trans4097.9131.9-177.60000117R313 F337 Y338V311-R313 HydrophobicContact CG1-CG 4.01Å; V311-R313 PolarHBondContact O-N 2.73Å; V311-R313 VanDerWaalsContact O-N 3.17Å; V311-F337 WeakPolarHBondContact CA-O 3.25Å; V311-F337 WeakPolarHBondContact CB-O 3.36Å; V311-F337 VanDerWaalsContact CG1-N 3.29Å; V311-F337 WeakPolarHBondContact CG1-O 3.47Å; V311-F337 VanDerWaalsContact CG2-O 3.31Å; V311-F337 WeakPolarHBondContact CG2-O 3.18Å; V311-Y338 HydrophobicContact CG2-CD1 3.95Å; V311-Y338 HydrophobicContact CG2-CE1 4.11Å; V311-Y338 HydrophobicContact CG2-CG 4.23Å
312S46.2Very low48.2Very low42 Ų4270 Ų7029%0.29436%0.364SS..  trans-71.6103.8162.7-75.90000109.7R301 L314R301-S312 PolarHBondContact NH2-OG 2.71Å; R301-S312 VanDerWaalsContact NH2-OG 3.13Å; S312-L314 PolarHBondContact O-N 3.12Å
313R50.8Low47.1Very low65 Ų6571.2 Ų71.225%0.24538%0.378CS..  trans-76122.8170.2-61.5-169.4-175.5-178.3-3.5110.3K302 V311 D334 D336K302-R313 HydrophobicContact CB-CB 4.04Å; K302-R313 WeakPolarHBondContact CB-O 3.32Å; K302-R313 HydrophobicContact CD-CB 4Å; K302-R313 HydrophobicContact CD-CG 4.36Å; K302-R313 PolarHBondContact N-O 2.97Å; V311-R313 HydrophobicContact CG1-CG 4.01Å; V311-R313 PolarHBondContact O-N 2.73Å; V311-R313 VanDerWaalsContact O-N 3.17Å; R313-D334 IonicContact NH1-OD1 2.69Å; R313-D334 PolarHBondContact NH1-OD1 2.96Å; R313-D336 IonicContact CZ-OD1 2.81Å; R313-D336 IonicContact CZ-OD2 2.73Å; R313-D336 IonicContact NE-OD1 2.68Å; R313-D336 PolarHBondContact NE-OD1 3.08Å; R313-D336 VanDerWaalsContact NH2-CG 3.34Å; R313-D336 IonicContact NH2-OD1 3Å; R313-D336 PolarHBondContact NH2-OD1 3.43Å; R313-D336 IonicContact NH2-OD2 3.25Å; R313-D336 PolarHBondContact NH2-OD2 2.9Å
314L52.4Low46.2Very low27 Ų2770.9 Ų70.914%0.14139%0.394CS..EExtended strand (participates in β ladder)trans-96.5127.6173.2-169.382.8000109.5C274 V276 I299 R301 S312 I316C274-L314 WeakPolarHBondContact O-CD2 3.17Å; V276-L314 HydrophobicContact CB-CD2 4.26Å; V276-L314 HydrophobicContact CG2-CD2 4.41Å; V276-L314 VanDerWaalsContact N-CD2 3.26Å; I299-L314 HydrophobicContact CG2-CD1 3.87Å; I299-L314 HydrophobicContact CG2-CD2 4.43Å; I299-L314 HydrophobicContact CG2-CG 4.29Å; R301-L314 HydrophobicContact CB-CD1 4.22Å; S312-L314 PolarHBondContact O-N 3.12Å; L314-I316 HydrophobicContact CD2-CD1 3.91Å; L314-I316 HydrophobicContact CD2-CG1 3.95Å; L314-I316 HydrophobicContact CG-CG1 4.4Å
315C52.8Low45.5Very low1 Ų174.9 Ų74.91%0.00741%0.41CS..EExtended strand (participates in β ladder)trans-112.8110174.4-710000109.8Y240 L300Y240-C315 HydrophobicContact CE1-CB 4.18Å; Y240-C315 VanDerWaalsContact CE1-SG 3.59Å; L300-C315 CarbonylContact C-O 3.59Å; L300-C315 WeakPolarHBondContact CA-O 3.46Å; L300-C315 HydrophobicContact CB-CB 4.22Å; L300-C315 WeakPolarHBondContact CB-O 3.37Å; L300-C315 PolarHBondContact N-O 3Å; L300-C315 CarbonylContact O-C 3.57Å; L300-C315 PolarHBondContact O-N 2.96Å
316I53.5Low45Very low1 Ų172.7 Ų72.71%0.00540%0.4CS..EExtended strand (participates in β ladder)trans-91.1120.8175.5-56.9127.7000108.6C275 M278 L297 I299 L314 F318C275-I316 HydrophobicContact CB-CD1 3.44Å; C275-I316 VanDerWaalsContact CB-CD1 3.44Å; C275-I316 HydrophobicContact CB-CG1 3.9Å; M278-I316 HydrophobicContact CE-CB 3.92Å; M278-I316 HydrophobicContact CE-CD1 3.58Å; M278-I316 HydrophobicContact CE-CG1 4.2Å; M278-I316 HydrophobicContact CE-CG2 3.77Å; L297-I316 HydrophobicContact CD1-CG2 3.62Å; I299-I316 HydrophobicContact CG1-CG2 4.36Å; I299-I316 HydrophobicContact CG2-CG1 4.43Å; L314-I316 HydrophobicContact CD2-CD1 3.91Å; L314-I316 HydrophobicContact CD2-CG1 3.95Å; L314-I316 HydrophobicContact CG-CG1 4.4Å; I316-F318 HydrophobicContact CG2-CD2 4.41Å; I316-F318 HydrophobicContact CG2-CE2 3.9Å; I316-F318 HydrophobicContact CG2-CZ 4.39Å
317I54.6Low44.9Very low2 Ų270 Ų701%0.0139%0.388CS..EExtended strand (participates in β ladder)trans-108.5122.5178.1-56.8-174.9000109.3L231 L234 V298 L300 F330L231-I317 HydrophobicContact CD1-CG2 3.94Å; L231-I317 HydrophobicContact CD2-CD1 4.29Å; L231-I317 HydrophobicContact CD2-CG2 4.02Å; L231-I317 HydrophobicContact CG-CD1 4.39Å; L231-I317 HydrophobicContact CG-CG2 3.96Å; L234-I317 HydrophobicContact CB-CD1 4.35Å; L234-I317 HydrophobicContact CD1-CD1 4.01Å; V298-I317 CarbonylContact C-O 3.31Å; V298-I317 WeakPolarHBondContact CA-O 3.3Å; V298-I317 HydrophobicContact CB-CB 4.32Å; V298-I317 PolarHBondContact N-O 2.88Å; V298-I317 CarbonylContact O-C 3.59Å; V298-I317 VanDerWaalsContact O-CA 3.28Å; V298-I317 WeakPolarHBondContact O-CA 3.36Å; V298-I317 VanDerWaalsContact O-CB 3.32Å; V298-I317 WeakPolarHBondContact O-CB 3.43Å; V298-I317 PolarHBondContact O-N 3.13Å; L300-I317 HydrophobicContact CD1-CD1 3.27Å; L300-I317 HydrophobicContact CD1-CG1 4.2Å; L300-I317 HydrophobicContact CG-CD1 3.72Å; L300-I317 HydrophobicContact CG-CG1 4.21Å; I317-F330 HydrophobicContact CG2-CD1 4.09Å
318F52.7Low45.1Very low10 Ų1067.3 Ų67.34%0.04437%0.37CS..EExtended strand (participates in β ladder)trans-90.1110.9167.7-68.6-98.1000109.1M278 F283 L286 L287 L297 I316 I320M278-F318 HydrophobicContact CE-CE2 3.79Å; M278-F318 HydrophobicContact CE-CZ 4.04Å; M278-F318 HydrophobicContact SD-CE2 4.04Å; M278-F318 HydrophobicContact SD-CZ 4.11Å; F283-F318 HydrophobicContact CD2-CE1 4.22Å; F283-F318 AromaticContact CD2-CZ 3.59Å; F283-F318 HydrophobicContact CD2-CZ 3.59Å; F283-F318 AromaticContact CE2-CE1 3.78Å; F283-F318 HydrophobicContact CE2-CE1 3.78Å; F283-F318 AromaticContact CE2-CZ 3.52Å; F283-F318 HydrophobicContact CE2-CZ 3.52Å; L286-F318 HydrophobicContact CD1-CD2 3.83Å; L286-F318 HydrophobicContact CD1-CE2 3.46Å; L286-F318 VanDerWaalsContact CD1-CE2 3.46Å; L286-F318 HydrophobicContact CD1-CZ 4.04Å; L287-F318 HydrophobicContact CD2-CE1 4.2Å; L297-F318 HydrophobicContact CD1-CD1 3.59Å; L297-F318 HydrophobicContact CD1-CD2 4.15Å; L297-F318 HydrophobicContact CD1-CE1 3.51Å; L297-F318 HydrophobicContact CD1-CE2 4.06Å; L297-F318 HydrophobicContact CD1-CG 3.92Å; L297-F318 HydrophobicContact CD1-CZ 3.75Å; I316-F318 HydrophobicContact CG2-CD2 4.41Å; I316-F318 HydrophobicContact CG2-CE2 3.9Å; I316-F318 HydrophobicContact CG2-CZ 4.39Å; F318-I320 HydrophobicContact CB-CD1 4.48Å
319L51.5Low45.2Very low32 Ų3263.7 Ų63.717%0.16835%0.354CS..EExtended strand (participates in β ladder)trans-79.1120.9160.3-58.6166.1000108.4L231 K296 V298 L328L231-L319 HydrophobicContact CD1-CD2 3Å; L231-L319 HydrophobicContact CD1-CG 4.13Å; L231-L319 HydrophobicContact CD2-CD2 3.75Å; L231-L319 HydrophobicContact CD2-CG 4.42Å; L231-L319 HydrophobicContact CG-CD2 4.07Å; K296-L319 CarbonylContact C-O 3.47Å; K296-L319 HydrophobicContact CB-CB 3.81Å; K296-L319 HydrophobicContact CB-CD1 3.65Å; K296-L319 HydrophobicContact CB-CG 4.27Å; K296-L319 HydrophobicContact CD-CD1 4.25Å; K296-L319 PolarHBondContact N-O 3.14Å; K296-L319 CarbonylContact O-C 3.45Å; K296-L319 VanDerWaalsContact O-CA 3.24Å; K296-L319 WeakPolarHBondContact O-CA 3.44Å; K296-L319 WeakPolarHBondContact O-CB 3.37Å; K296-L319 PolarHBondContact O-N 2.89Å; V298-L319 HydrophobicContact CG2-CD1 3.3Å; V298-L319 HydrophobicContact CG2-CG 3.82Å; L319-L328 HydrophobicContact CD2-CD2 3.68Å
320I49.2Very low45.7Very low12 Ų1260 Ų606%0.06231%0.312CS..  trans-106.8108.9161.3-58.1121000105.9T290 R293 F318 F322 F329T290-I320 HydrophobicContact CG2-CD1 3.24Å; T290-I320 HydrophobicContact CG2-CG1 3.39Å; R293-I320 HydrophobicContact CB-CG2 4.35Å; F318-I320 HydrophobicContact CB-CD1 4.48Å; I320-F322 VanDerWaalsContact C-N 3.29Å; I320-F322 HydrophobicContact CG2-CD2 4.16Å; I320-F322 PolarHBondContact O-N 3.36Å; I320-F329 HydrophobicContact CD1-CB 3.71Å
321P45Very low45.7Very low55 Ų5554.1 Ų54.136%0.35729%0.287SS..  trans-60.697.2165.425.4-34.1000108.7S294S294-P321 WeakPolarHBondContact O-CD 3.42Å; S294-P321 WeakPolarHBondContact O-CG 3.07Å; S294-P321 WeakPolarHBondContact OG-CG 3.47Å
322F48.9Very low45.8Very low67 Ų6755.8 Ų55.829%0.29430%0.295SS..  trans-83.2158.3150-109.9-110.5000107.3R293 I320 Q326R293-F322 VanDerWaalsContact CZ-CE1 3.45Å; I320-F322 VanDerWaalsContact C-N 3.29Å; I320-F322 HydrophobicContact CG2-CD2 4.16Å; I320-F322 PolarHBondContact O-N 3.36Å; F322-Q326 HydrophobicContact CB-CB 4.5Å; F322-Q326 HydrophobicContact CD1-CB 4.39Å
323S38.5Very low45.8Very low71 Ų7155.7 Ų55.750%0.49729%0.29SS..  trans-30.6150.8177.2-156.80000114.8D325 Q326S323-D325 PolarHBondContact O-N 2.96Å; S323-Q326 PolarHBondContact O-N 3.18Å; S323-Q326 VanDerWaalsContact O-N 3.1Å
324P39.6Very low45.4Very low131 Ų13157.3 Ų57.385%0.85130%0.304SS*.THydrogen-bonded Turntrans-44.8-17.3177.213.9-31000116.3
325D39.7Very low44.7Very low136 Ų13657 Ų5773%0.72731%0.307SS*.THydrogen-bonded Turntrans-111.810.1-172.6-49.6-49.9000115.5S323S323-D325 PolarHBondContact O-N 2.96Å
326Q38.2Very low43.6Very low126 Ų12661.6 Ų61.659%0.58933%0.332SS*.SBendtrans-138.1144.4-177.8-71.2-167.8-15.800116F322 S323F322-Q326 HydrophobicContact CB-CB 4.5Å; F322-Q326 HydrophobicContact CD1-CB 4.39Å; S323-Q326 PolarHBondContact O-N 3.18Å; S323-Q326 VanDerWaalsContact O-N 3.1Å
327E37.2Very low42.5Very low142 Ų14264.6 Ų64.666%0.66435%0.345SS*.PPolyproline II helixtrans-47.9132.4-168.3-62.5-177.7149.700115.1P228 F329P228-E327 HydrophobicContact CG-CB 4.19Å; P228-E327 VanDerWaalsContact CG-OE2 3.27Å; P228-E327 WeakPolarHBondContact CG-OE2 3.27Å; E327-F329 PolarHBondContact O-N 2.91Å
328L41.8Very low41.1Very low47 Ų4773.6 Ų73.625%0.24638%0.38CS..PPolyproline II helixtrans-57.9132.3167.4-72.8157.8000109.2P228 L231 F232 L319 F330P228-L328 WeakPolarHBondContact CB-O 3.05Å; L231-L328 HydrophobicContact CB-CD1 4.32Å; L231-L328 HydrophobicContact CD1-CB 4.41Å; L231-L328 HydrophobicContact CD1-CD1 3.94Å; L231-L328 HydrophobicContact CD1-CD2 4.05Å; L231-L328 HydrophobicContact CD1-CG 4.37Å; F232-L328 HydrophobicContact CE2-CD1 4.11Å; F232-L328 HydrophobicContact CZ-CD1 4.04Å; L319-L328 HydrophobicContact CD2-CD2 3.68Å; L328-F330 VanDerWaalsContact C-CE2 3.44Å; L328-F330 HydrophobicContact CB-CD2 4.24Å; L328-F330 HydrophobicContact CB-CE1 4.32Å; L328-F330 HydrophobicContact CB-CE2 3.22Å; L328-F330 HydrophobicContact CB-CZ 3.23Å; L328-F330 HydrophobicContact CD1-CZ 3.9Å; L328-F330 HydrophobicContact CG-CZ 4.16Å; L328-F330 WeakPolarHBondContact O-CD2 3.08Å; L328-F330 WeakPolarHBondContact O-CE2 3.32Å
329F39.7Very low39.9Very low118 Ų11882.7 Ų82.752%0.51844%0.436SS..PPolyproline II helixtrans-86.3141.7170-80.6-89.5000110I320 E327I320-F329 HydrophobicContact CD1-CB 3.71Å; E327-F329 PolarHBondContact O-N 2.91Å
330F44.6Very low39.3Very low11 Ų1185.3 Ų85.35%0.04845%0.449CS..  trans-134143-179-57.4-96.8000109.8I226 P228 R229 A230 L231 I317 L328I226-F330 WeakPolarHBondContact CG2-O 3.37Å; P228-F330 HydrophobicContact CB-CD2 3.68Å; P228-F330 HydrophobicContact CB-CE2 3.98Å; R229-F330 WeakPolarHBondContact O-CD1 3.39Å; R229-F330 WeakPolarHBondContact O-CD2 3.09Å; R229-F330 WeakPolarHBondContact O-CE1 3.37Å; R229-F330 WeakPolarHBondContact O-CE2 3.41Å; R229-F330 VanDerWaalsContact O-CG 3.24Å; R229-F330 WeakPolarHBondContact O-CG 3.47Å; R229-F330 WeakPolarHBondContact O-CZ 3.39Å; A230-F330 VanDerWaalsContact C-CZ 3.41Å; L231-F330 HydrophobicContact CB-CE1 3.53Å; L231-F330 HydrophobicContact CB-CZ 3.87Å; L231-F330 HydrophobicContact CD1-CD1 3.92Å; L231-F330 HydrophobicContact CD1-CE1 3.03Å; L231-F330 HydrophobicContact CD1-CZ 3.46Å; L231-F330 VanDerWaalsContact CD1-CZ 3.46Å; L231-F330 HydrophobicContact CG-CD1 4.14Å; L231-F330 HydrophobicContact CG-CE1 3.25Å; L231-F330 HydrophobicContact CG-CZ 3.97Å; I317-F330 HydrophobicContact CG2-CD1 4.09Å; L328-F330 VanDerWaalsContact C-CE2 3.44Å; L328-F330 HydrophobicContact CB-CD2 4.24Å; L328-F330 HydrophobicContact CB-CE1 4.32Å; L328-F330 HydrophobicContact CB-CE2 3.22Å; L328-F330 HydrophobicContact CB-CZ 3.23Å; L328-F330 HydrophobicContact CD1-CZ 3.9Å; L328-F330 HydrophobicContact CG-CZ 4.16Å; L328-F330 WeakPolarHBondContact O-CD2 3.08Å; L328-F330 WeakPolarHBondContact O-CE2 3.32Å
331S39.6Very low38.8Very low16 Ų1689.1 Ų89.111%0.11247%0.47CS..  trans-131.1102.9160.9-62.50000105.4L286 L333L286-S331 WeakPolarHBondContact CD2-OG 3.2Å; S331-L333 PolarHBondContact O-N 3.11Å
332I46.1Very low38.5Very low60 Ų6091 Ų9131%0.30848%0.476SS..  trans-82.7108.8170.9-59.1167.2000105L234 D334L234-I332 HydrophobicContact CD1-CD1 3.7Å; L234-I332 HydrophobicContact CD1-CG1 3.95Å; I332-D334 HydrophobicContact CG2-CB 4.38Å; I332-D334 PolarHBondContact O-N 2.8Å
333L45.6Very low37.9Very low40 Ų4092.4 Ų92.421%0.20949%0.487CS..  trans-83.5103161-66.7170.7000105.9M278 Y282 S331 G335M278-L333 HydrophobicContact CB-CD1 3.66Å; M278-L333 HydrophobicContact CE-CD1 3.92Å; M278-L333 HydrophobicContact CG-CD1 3.74Å; M278-L333 HydrophobicContact SD-CD1 4.12Å; Y282-L333 HydrophobicContact CD1-CD1 4.34Å; Y282-L333 HydrophobicContact CD1-CD2 4.49Å; Y282-L333 HydrophobicContact CE1-CD1 4.13Å; Y282-L333 HydrophobicContact CE1-CD2 3.89Å; Y282-L333 HydrophobicContact CE1-CG 4.26Å; S331-L333 PolarHBondContact O-N 3.11Å; L333-G335 PolarHBondContact O-N 3.5Å
334D43.2Very low37.8Very low99 Ų9993.8 Ų93.853%0.52949%0.486SS..  trans-91.590.7169.5-139.4-14000105.2R313 I332R313-D334 IonicContact NH1-OD1 2.69Å; R313-D334 PolarHBondContact NH1-OD1 2.96Å; I332-D334 HydrophobicContact CG2-CB 4.38Å; I332-D334 PolarHBondContact O-N 2.8Å
335G36.6Very low37.7Very low20 Ų2091.3 Ų91.321%0.20646%0.462CS..  trans-106.8124.817500000109.9L333L333-G335 PolarHBondContact O-N 3.5Å
336D30.1Very low37.6Very low98 Ų9888.1 Ų88.152%0.52444%0.443SS..  trans-77.8123.6165.1-79.1-47000109R313R313-D336 IonicContact CZ-OD1 2.81Å; R313-D336 IonicContact CZ-OD2 2.73Å; R313-D336 IonicContact NE-OD1 2.68Å; R313-D336 PolarHBondContact NE-OD1 3.08Å; R313-D336 VanDerWaalsContact NH2-CG 3.34Å; R313-D336 IonicContact NH2-OD1 3Å; R313-D336 PolarHBondContact NH2-OD1 3.43Å; R313-D336 IonicContact NH2-OD2 3.25Å; R313-D336 PolarHBondContact NH2-OD2 2.9Å
337F31.1Very low37.5Very low64 Ų6485.2 Ų85.228%0.28143%0.432SS..  trans-131.5113.8178.5-74-77.5000111.8V276 V311V276-F337 HydrophobicContact CG1-CD1 4.07Å; V276-F337 HydrophobicContact CG1-CD2 3.96Å; V276-F337 HydrophobicContact CG1-CE1 4.09Å; V276-F337 HydrophobicContact CG1-CE2 3.97Å; V276-F337 HydrophobicContact CG1-CG 4.03Å; V276-F337 HydrophobicContact CG1-CZ 4.06Å; V311-F337 WeakPolarHBondContact CA-O 3.25Å; V311-F337 WeakPolarHBondContact CB-O 3.36Å; V311-F337 VanDerWaalsContact CG1-N 3.29Å; V311-F337 WeakPolarHBondContact CG1-O 3.47Å; V311-F337 VanDerWaalsContact CG2-O 3.31Å; V311-F337 WeakPolarHBondContact CG2-O 3.18Å
338Y25.2Very low37.5Very low191 Ų19180.4 Ų80.475%0.74941%0.412SS*.  trans-73.4128164.2-63-89.1000108.5V311V311-Y338 HydrophobicContact CG2-CD1 3.95Å; V311-Y338 HydrophobicContact CG2-CE1 4.11Å; V311-Y338 HydrophobicContact CG2-CG 4.23Å
339V27Very low37.2Very low201 Ų20183.5 Ų83.5100%1.21843%0.427SS*.  trans-93.70169.8175.20000108.4

Retrieved 339 of 339 residues in 49.1 ms (Link to these results)