A0A5K4F0T5_SCHMA Loading...

BHLH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0T5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 828 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
1M37.5Very low38.2Very low225 Ų225138.7 Ų138.7100%1.10879%0.787SS**  092.60-64.5173.193.700105.7
2T35.9Very low38.2Very low123 Ų123138.2 Ų138.276%0.75578%0.78SS**  77.5126.285.653.90000112.6
3S36Very low38.2Very low98 Ų98134 Ų13469%0.68577%0.765SS**  cis-167.2153.3-3.1-80.80000111.8
4S38.3Very low38.3Very low116 Ų116133.5 Ų133.581%0.81176%0.759SS**  trans66.5162.6150.8-57.90000118.1
5S40.5Very low38.4Very low96 Ų96134.5 Ų134.567%0.67176%0.759SS**  cis-151.21402-124.20000109.5
6V40Very low38.8Very low121 Ų121131.9 Ų131.973%0.73375%0.749SS**  65.412895.9179.30000113.2
7I38.9Very low38.6Very low142 Ų142136.8 Ų136.873%0.72876%0.755SS**  cis-153.7136.448.4-137.1147.6000109.9
8C36Very low38.4Very low105 Ų105134 Ų13471%0.70975%0.747SS**  52146.699.8-44.70000117.1
9K40.8Very low38.3Very low202 Ų202135.3 Ų135.388%0.87875%0.746SS**  cis-147.5167.630.4-71.3178.6175.8179.30114.5
10S37.9Very low38.3Very low103 Ų103135.8 Ų135.872%0.7275%0.747SS**  trans-95.5178.8177.7-80000114
11F38.7Very low38.4Very low195 Ų195134.8 Ų134.886%0.85575%0.745SS**  -170.6116.3129.6-106.4-89.5000106.4
12N37.9Very low38.6Very low132 Ų132129.2 Ų129.271%0.70673%0.725SS**  58143.791.5-89.945.8000114
13S37.8Very low38.6Very low84 Ų84130.4 Ų130.459%0.58773%0.726SS**  cis175.3-178.3-7.551.10000104.5
14D39.4Very low38.8Very low127 Ų127131.7 Ų131.768%0.67973%0.725SS**  cis-165.1156.923.5-108.4-48.9000112.6
15I39.7Very low38.6Very low149 Ų149132.7 Ų132.776%0.76472%0.72SS**  trans77.3146.7141.9-71.2166.8000123.1
16P44.9Very low38.4Very low92 Ų92134 Ų13460%0.59772%0.72SS**  trans-137.8-146.5-162.942.1-18.1000115.5
17Y35.5Very low38.2Very low216 Ų216133.3 Ų133.385%0.84772%0.716SS**  trans80.9154.5174.5-62.6-72.7000116.6
18S36.2Very low38.3Very low86 Ų86132.3 Ų132.360%0.60172%0.717SS**  cis-157.2175.43.5-137.60000114.5
19E36.8Very low38.9Very low159 Ų159132.6 Ų132.674%0.74372%0.717SS**  trans71121.6152.5-73.9170.311000120.7
20L36.9Very low39.2Very low145 Ų145127.9 Ų127.976%0.75971%0.707SS**  72.9136.978.3-63.7-168.9000113.2
21T40.7Very low39.3Very low115 Ų115128.6 Ų128.671%0.70671%0.708SS**  cis-156.2166.23.64.60000110.6
22P42.2Very low39.3Very low107 Ų107124.8 Ų124.870%0.69570%0.7SS**  trans-93.1-155.1172.539.3-33.1000112.4
23I36.4Very low39.3Very low148 Ų148124.3 Ų124.376%0.75970%0.703SS**  trans88.9141.8179.3-53.8157.3000111.5
24D38.4Very low39.4Very low125 Ų125124.3 Ų124.367%0.66870%0.702SS**  cis-131.8161.411.8-119.6-26.3000110.6
25L34.8Very low39.4Very low137 Ų137121.7 Ų121.772%0.71769%0.691SS**  47.2151.594.9-85.160.4000116
26N35.6Very low39.2Very low123 Ų123120.3 Ų120.366%0.65869%0.685SS**  cis-166.6169.528.2-146.4-8.8000114.7
27T37.7Very low38.6Very low107 Ų107121.7 Ų121.766%0.65669%0.692SS**  trans50.5150.5148.144.30000123.2
28T40Very low38.5Very low121 Ų121118 Ų11874%0.74269%0.686SS**  cis-169.8161.1-29.117.20000108.3
29P47.7Very low38.4Very low111 Ų111119.5 Ų119.572%0.72169%0.691SS**  trans-85.9-164.3167.842-37.3000110.4
30P47.6Very low38.3Very low103 Ų103116.8 Ų116.867%0.66969%0.69SS**  -160.3-167.575.441.6-18000116.9
31T40Very low38.2Very low119 Ų119114.6 Ų114.673%0.7369%0.687SS**  trans67.4148.6149.752.10000120.2
32T39.5Very low38.1Very low114 Ų114113.9 Ų113.970%0.69969%0.687SS**  cis-166.1155.71140000112.5
33T38.4Very low37.8Very low123 Ų123115.7 Ų115.776%0.75569%0.69SS**  trans63.2138.8136.7-60.20000120.8
34S39.1Very low37.8Very low83 Ų83115.9 Ų115.958%0.5869%0.691SS**  cis-171.7145.4-18.458.10000112.8
35T39.7Very low37.9Very low73 Ų73116.9 Ų116.945%0.44870%0.695SS.*  trans49.9126136.563.60000124
36N35Very low38.3Very low120 Ų120116.9 Ų116.964%0.64270%0.696SS**  80.8101.6121.3-66.2-4.5000124.7
37T31.7Very low39Very low120 Ų120115.6 Ų115.674%0.73669%0.694SS**  69.4155.1118.7-30000124.5
38I35.1Very low39.1Very low140 Ų140116.7 Ų116.772%0.71870%0.695SS**  trans9189.5151.1-70.6161.7000119.1
39T33.2Very low39.2Very low116 Ų116114 Ų11471%0.71268%0.678SS**  trans67.9151.3133.261.60000124.3
40S34.8Very low38.9Very low103 Ų103111.9 Ų111.972%0.7266%0.663SS**  trans64.5131.9148.7480000118
41S35.5Very low38.6Very low98 Ų98110.7 Ų110.769%0.68565%0.654SS**  cis171.2165.813.5420000107.3
42S38.6Very low38.6Very low101 Ų101111.6 Ų111.671%0.70665%0.653SS**  trans70.8151.9159.978.10000119
43N34Very low38.7Very low144 Ų144111.1 Ų111.177%0.7765%0.65SS**  cis-172.9-176.4-31.6-99.1-11.5000107.8
44I37Very low38.6Very low152 Ų152110.7 Ų110.778%0.77965%0.647SS**  trans66.3147.4163.32.1178.1000114
45I41.3Very low38.7Very low146 Ų146112.4 Ų112.475%0.74965%0.654SS**  cis-142.2117.916.7-52.8172000110.9
46D43.7Very low38.7Very low138 Ų138113.3 Ų113.374%0.73866%0.664SS**  30.4169110.3-76.99.9000122.3
47P49Very low38.8Very low95 Ų95113.3 Ų113.362%0.61767%0.669SS**  cis-142.2-162.6-46.340.9-22000112.1
48I40.3Very low39.2Very low131 Ų131113.1 Ų113.167%0.67267%0.667SS**  168117.4127-86.9163.8000113.9
49T42.5Very low39.3Very low64 Ų64111.7 Ų111.739%0.39367%0.665SS.*  28.7143.9124.1-3.80000120.4L689T49-L689 HydrophobicContact CG2-CD1 4.34Å
50T40.9Very low39.6Very low66 Ų66111.8 Ų111.841%0.40566%0.661SS.*  cis-159.1131.832.8-540000115.8K692T50-K692 WeakPolarHBondContact O-CE 3.21Å; T50-K692 PolarHBondContact O-NZ 2.97Å
51T41.6Very low39.7Very low78 Ų78112.4 Ų112.448%0.47966%0.657SS.*  17.3153.8130-10.30000120.7K692T51-K692 PolarHBondContact O-NZ 3.02Å
52I40Very low39.8Very low139 Ų139114.5 Ų114.571%0.71366%0.659SS**  -169.2127.672.4-79.5-174.6000107.6
53T40.9Very low39.8Very low104 Ų104117 Ų11764%0.63866%0.66SS**  66142.496.1-20.90000113
54T37.2Very low39.9Very low113 Ų113115.3 Ų115.369%0.69366%0.659SS**  -158.2127.151.45.90000111.4
55T40.9Very low39.8Very low119 Ų119112.5 Ų112.573%0.7365%0.653SS**  72.1146.5105.760.30000117.1
56S38.8Very low39.5Very low92 Ų92112.2 Ų112.264%0.64365%0.652SS**  cis-166.5163.57.826.60000113.2
57T38.3Very low39Very low121 Ų121112.1 Ų112.174%0.74265%0.65SS**  trans60.9137.9144.5520000119.2
58T38.7Very low38.3Very low116 Ų116114.7 Ų114.771%0.71265%0.653SS**  cis-164.6-174.8-0.411.30000107.6
59T38.9Very low38Very low109 Ų109115.5 Ų115.567%0.66965%0.654SS**  cis-161.1146.713.1-1.10000109.5
60N38.2Very low37.5Very low119 Ų119119 Ų11964%0.63667%0.67SS**  38.8148.5123.7-58.151000121.1
61D36.6Very low37.1Very low116 Ų116119.7 Ų119.762%0.6268%0.683SS**  cis-171.3155.6-3.8-107.9-13.2000112.4
62L39.2Very low36.8Very low142 Ų142122.9 Ų122.974%0.74370%0.697SS**  trans57.8162.1145.8-57.5166.9000118.8
63E37.1Very low36.5Very low154 Ų154123.9 Ų123.972%0.7270%0.703SS**  cis-157.4143.2-7.6-136.8176.514500111.9
64S36.5Very low36.6Very low107 Ų107123.7 Ų123.775%0.74870%0.704SS**  trans64.5172.2149.590.10000117.8
65S35.2Very low36.6Very low94 Ų94125.4 Ų125.466%0.65771%0.707SS**  cis-162.1141.3-13.5-130.70000113.7
66I35.7Very low36.3Very low140 Ų140129.7 Ų129.772%0.71871%0.71SS**  68.4112.1127.4-78.1177000122.8
67I33Very low36.1Very low135 Ų135130.1 Ų130.169%0.69271%0.711SS**  86.5116.8124.2-71.7-173.6000124.1
68H33.3Very low36.1Very low150 Ų150133.5 Ų133.569%0.69472%0.716SS**  trans84.5141133.3-84.1-141.4000127.1
69E34.9Very low36Very low147 Ų147132.2 Ų132.269%0.68771%0.711SS**  trans85103.4133.1-76.3-177.4104.900126.1
70N31.1Very low35.9Very low138 Ų138134.2 Ų134.274%0.73872%0.717SS**  62.3116.7110-73.8-17.8000123
71A33.9Very low35.9Very low81 Ų81135.1 Ų135.167%0.66972%0.718SS**  94.9152.8122.900000121.9
72N35.3Very low36Very low145 Ų145136.6 Ų136.678%0.77572%0.724SS**  trans74.2125.5174.3-48.6-60.7000115.3
73L33.9Very low35.9Very low160 Ų160137.5 Ų137.584%0.83872%0.722SS**  cis60.9149.445.8-70.4173.1000113.9
74P41.1Very low35.8Very low100 Ų100134.5 Ų134.565%0.64972%0.718SS**  cis-134.8-145.2-2.123.64000112.7
75I38.5Very low35.8Very low149 Ų149135.4 Ų135.476%0.76472%0.719SS**  trans94140149.2-68.7165.9000119
76R34.6Very low35.8Very low209 Ų209137.4 Ų137.479%0.78972%0.718SS**  cis-176.7139.7-21.7-177.2167.7178.7-168.73114.3
77C33.4Very low35.8Very low100 Ų100138.6 Ų138.668%0.67672%0.718SS**  trans62.1173.8157.7-73.90000118
78K39.8Very low35.9Very low193 Ų193137.3 Ų137.384%0.83972%0.721SS**  cis-161.5161.710.3-142.5168.7179.7-172.20107.5
79S36.8Very low36Very low88 Ų88135.3 Ų135.362%0.61572%0.724SS**  cis-160.6162.6-32.9-88.40000105.7
80L37Very low35.9Very low151 Ų151136 Ų13679%0.79173%0.731SS**  -170.3136.777-75.6158.1000106.3
81E37.1Very low36.1Very low138 Ų138133.9 Ų133.965%0.64573%0.727SS**  57.313479.3-76.2-164.2127.900114.4K83E81-K83 IonicContact OE1-NZ 3.16Å; E81-K83 PolarHBondContact OE1-NZ 2.57Å
82I38.7Very low36.1Very low148 Ų148139.2 Ų139.276%0.75974%0.735SS**  cis-140129.927-61.9175.2000108.3
83K37.6Very low36Very low160 Ų160140.8 Ų140.870%0.69674%0.735SS**  45.5148.296.8-68.8164.8-173.4152.20115.2E81E81-K83 IonicContact OE1-NZ 3.16Å; E81-K83 PolarHBondContact OE1-NZ 2.57Å
84S35.5Very low35.8Very low91 Ų91143.5 Ų143.564%0.63673%0.734SS**  cis-167.3165.54.3-118.50000111.7
85T36.5Very low35.3Very low126 Ų126146.3 Ų146.377%0.77374%0.738SS**  trans61.5150.2154.752.20000119.3
86E35.3Very low34.9Very low137 Ų137150.1 Ų150.164%0.6474%0.743SS**  cis-155.3171.9-4.6-124.8-173.5177.300112.1
87K35.6Very low34.8Very low165 Ų165145 Ų14572%0.71774%0.739SS**  trans17.5128.4155.3-58155.2-170.1152.30117.7
88S33.3Very low34.7Very low107 Ų107144.7 Ų144.775%0.74873%0.734SS**  -179.7158.558.2-171.10000111.3
89S35.2Very low34.4Very low109 Ų109142.2 Ų142.276%0.76274%0.735SS**  trans42.5133.3158.7-61.30000120.6
90I33.8Very low34Very low160 Ų160143.2 Ų143.282%0.82173%0.733SS**  cis-152.5171.922.5-159.4159.2000112.1
91S35.2Very low33.8Very low94 Ų94143 Ų14366%0.65773%0.733SS**  trans-22.3122.5-179.8-64.70000118.3
92K34.8Very low33.4Very low193 Ų193143.7 Ų143.784%0.83974%0.736SS**  55.8110.986.6-63.3172.6-179.4175.60112.5
93K32.7Very low33Very low178 Ų178147.8 Ų147.877%0.77474%0.742SS**  cis69.496.321.3-168.4-177.1177-178.20116.6
94R29.5Very low32.7Very low217 Ų217145 Ų14582%0.81974%0.735SS**  trans51.7169.1142.2-73.7-172.2177.71740.1120.8
95H31.1Very low32.4Very low159 Ų159150.8 Ų150.874%0.73674%0.743SS**  trans72.4146.8177.2-44.9-86.5000112.3
96R28.6Very low32Very low229 Ų229149 Ų14986%0.86474%0.735SS**  cis-124.5-179.912.1-93.6170164-176.3-7.4110.4
97S32.5Very low31.9Very low101 Ų101150 Ų15071%0.70675%0.745SS**  cis-146.5146.51.613.70000107.4
98T31.8Very low31.6Very low95 Ų95146.5 Ų146.558%0.58374%0.742SS**  68.989.551-54.40000112.7
99V32.9Very low31.5Very low141 Ų141149 Ų14986%0.85574%0.743SS**  trans-126.794.2138.8179.60000105.9
100D29.1Very low31.4Very low108 Ų108149.3 Ų149.358%0.57874%0.737SS**  trans-84.7138168.3-71.2-80.1000109.2
101N33.2Very low31.3Very low147 Ų147144.5 Ų144.579%0.78672%0.715SS**  trans-174.393.7164.7-90.6-32.3000104.7
102Q28.7Very low31.1Very low153 Ų153143.7 Ų143.772%0.71570%0.703SS**  cis57.764.444.8-77.3-153.753.500114.3
103W29.6Very low31Very low233 Ų233139 Ų13988%0.88369%0.686SS**  trans-122131.4130.7-9171.4000106.7
104N31.5Very low31.1Very low103 Ų103135.2 Ų135.255%0.55167%0.674SS**  59.7131.758.6-74-36000112.5
105R29.3Very low31.1Very low212 Ų212131.6 Ų131.680%0.867%0.671SS**  cis-167.1153.6-14.7-133.4175.5-169.3-123.85.5107
106S28.4Very low31.4Very low87 Ų87132.2 Ų132.261%0.60867%0.671SS**  trans35148.4147.6-56.10000122.2
107N32.4Very low31.4Very low158 Ų158130.5 Ų130.585%0.84567%0.666SS**  trans75.5156.5164.3-52.7-10.9000116
108S31.1Very low31.3Very low93 Ų93132.2 Ų132.265%0.6566%0.663SS**  cis-179.2136.1-32.7-178.80000105.6
109M30.9Very low31.2Very low158 Ų158135.1 Ų135.178%0.77867%0.669SS**  trans62.2157.2170.8-78-178.3168.900116.3
110N31.9Very low31.1Very low117 Ų117134.4 Ų134.463%0.62667%0.665SS**  trans70.8137.2144.3-67.92.4000118.2
111T31.6Very low31.2Very low58 Ų58138 Ų13836%0.35668%0.676SS.*  cis-178.6131.66.3122.40000110.6N682 G683T111-N682 WeakPolarHBondContact CG2-O 3.47Å; T111-G683 VanDerWaalsContact CG2-N 3.3Å; T111-G683 WeakPolarHBondContact OG1-CA 3.27Å; T111-G683 PolarHBondContact OG1-N 3.22Å; T111-G683 PolarHBondContact OG1-O 2.62Å
112L31.2Very low31.3Very low77 Ų77137.4 Ų137.440%0.40368%0.678SS.*  trans27148.9178.1-81.1175.6000125N682 G683 I684L112-N682 HydrophobicContact CD1-CB 4.28Å; L112-N682 HydrophobicContact CD2-CB 4.17Å; L112-N682 WeakPolarHBondContact CD2-OD1 3.47Å; L112-N682 HydrophobicContact CG-CB 3.68Å; L112-N682 VanDerWaalsContact CG-CG 3.49Å; L112-N682 WeakPolarHBondContact CG-OD1 2.86Å; L112-G683 VanDerWaalsContact CG-CA 3.5Å; L112-I684 HydrophobicContact CD1-CB 4.49Å; L112-I684 HydrophobicContact CD1-CG1 4.41Å; L112-I684 HydrophobicContact CD1-CG2 4.13Å
113L34.2Very low31.3Very low94 Ų94137.1 Ų137.149%0.49268%0.681SS.*  95.2139.1129.4-89.8167.2000122.6I684L113-I684 HydrophobicContact CD1-CG2 3.58Å
114N33Very low31.4Very low99 Ų99133.6 Ų133.653%0.52968%0.679SS.*  trans64.398.9148.6-78.3-8.6000121.6
115L30.7Very low31.3Very low141 Ų141132.6 Ų132.674%0.73868%0.679SS**  60.4110109.8-93.270.4000119.5
116K36.5Very low31.3Very low173 Ų173128.8 Ų128.875%0.75267%0.674SS**  93.3124.3107.1-166.2166-173.8176.40118.4
117Y30Very low31.7Very low192 Ų192128.8 Ų128.875%0.75367%0.672SS**  trans19.5141.1140.6-66.8-116000118.7
118H30.2Very low31.6Very low137 Ų137128.2 Ų128.263%0.63467%0.668SS**  cis-162.5-179.448.8-121.3-72.1000112.5
119H28.9Very low31.5Very low157 Ų157129.3 Ų129.373%0.72767%0.666SS**  trans12.3148.5151.3-64.9-35.7000121
120T31.2Very low31.6Very low125 Ų125127.5 Ų127.577%0.76766%0.66SS**  cis-162.6173.147.8-34.70000113.5
121K31.9Very low31.5Very low183 Ų183130 Ų13080%0.79667%0.668SS**  trans-52149.5166.7-50.7159.8179.9173.10112.4
122T33.5Very low31.7Very low136 Ų136135.6 Ų135.683%0.83469%0.69SS**  -173.3160.9101.430.40000113.5
123N29.5Very low31.6Very low147 Ų147140 Ų14079%0.78671%0.706SS**  trans-74.2157.4-178.8-32.9-68.5000112.8
124L31.8Very low31.7Very low159 Ų159142.1 Ų142.183%0.83271%0.713SS**  -163.1169.7111-129.773.1000113.9
125C28.3Very low31.6Very low82 Ų82144.5 Ų144.555%0.55472%0.721SS**  trans-89.4146-167.2-860000115.3
126L30.4Very low31.8Very low131 Ų131145.4 Ų145.469%0.68672%0.722SS**  37.2172.6106.4-58.4173.3000119.9
127P37.5Very low31.6Very low87 Ų87145.5 Ų145.557%0.56573%0.725SS**  cis-139.9-159.7-32.328.9-4.1000113.4
128L29.4Very low31.7Very low147 Ų147142.4 Ų142.477%0.7773%0.729SS**  trans79.8156.3156-56165000116.7
129N29Very low31.6Very low115 Ų115142.4 Ų142.462%0.61573%0.731SS**  cis-1581756.6-138.613.9000116.3
130D32.9Very low32Very low120 Ų120143 Ų14364%0.64274%0.738SS**  trans78.8119.6142-65-30.8000127.1
131E29.5Very low32.1Very low169 Ų169142.8 Ų142.879%0.7973%0.732SS**  83.3161.3125.8-73.3-148.397.900126.8
132Q36.5Very low32.3Very low176 Ų176140.7 Ų140.782%0.82274%0.735SS**  trans75.7115.3177-50-171.28.200116.5
133K29.6Very low32.4Very low169 Ų169143.7 Ų143.774%0.73574%0.736SS**  cis9014120.9-161.6-177.6173.3-175.80115.2
134H35.7Very low32.5Very low140 Ų140145 Ų14565%0.64874%0.735SS**  trans91142.3178.8-55.2101.5000114.8
135Q31Very low32.6Very low148 Ų148148 Ų14869%0.69274%0.735SS**  cis-161.4-173.5-16.7-143.5166.8-36.700110.8
136E35Very low32.8Very low161 Ų161152.3 Ų152.375%0.75274%0.744SS**  trans64.6108.3162.3-68.4163.5-168.100116.4
137E31Very low32.8Very low175 Ų175150.9 Ų150.982%0.81874%0.741SS**  71.1105.956.3-63.4-160.5120.300116
138C32.3Very low32.7Very low126 Ų126153.6 Ų153.685%0.85175%0.748SS**  -151.5127.5124.7-162.50000109.9
139M29.5Very low33.3Very low138 Ų138154.2 Ų154.268%0.6875%0.752SS**  trans-75.4163171.7-68.5159.548.300111.1
140I36.8Very low33.7Very low168 Ų168154.7 Ų154.786%0.86276%0.755SS**  -164.5129.5117.3-97.7152.4000109.5
141D33Very low34Very low122 Ų122156.3 Ų156.365%0.65276%0.763SS**  trans-77.1162175.3-84.9-78.8000112.9
142V36.3Very low34.4Very low139 Ų139155.5 Ų155.584%0.84276%0.761SS**  177.9122.7105.5154.30000110.9
143K35Very low34.5Very low198 Ų198153.4 Ų153.486%0.86176%0.755SS**  trans-116.799.8176.1173.1-176178.8175.70109.9
144K32.6Very low34.7Very low174 Ų174152.9 Ų152.976%0.75776%0.755SS**  trans-176.1144.8160.5-114.5161.6-173.1171.40116.8
145R32.9Very low34.6Very low224 Ų224151.8 Ų151.885%0.84576%0.758SS**  trans76.7158.9153.8-65.4172-69.8-155.9-0.3118.7
146K32.7Very low34.7Very low171 Ų171150.8 Ų150.874%0.74376%0.758SS**  cis-177.8135.3-33.5-170.5-173.1165.9-178.70109.2
147T30.5Very low34.6Very low102 Ų102147.9 Ų147.963%0.62675%0.751SS**  trans62.1156.4159.7410000120
148M36.4Very low34.7Very low144 Ų144147.3 Ų147.371%0.70975%0.75SS**  trans70.4138.3177.6-45.9-45.3-17500114.2
149D41.4Very low34.9Very low160 Ų160148.1 Ų148.186%0.85675%0.745SS**  cis-111.6147.514-66.6-57.3000115.3
150D38.1Very low35.3Very low125 Ų125146.9 Ų146.967%0.66875%0.747SS**  trans-80.5145.5166.7-62.6-69.8000111
151N38.9Very low35.1Very low153 Ų153147.2 Ų147.282%0.81875%0.745SS**  175.2150.7105.3-96.7-72.9000114.9
152M36.6Very low35Very low152 Ų152146.7 Ų146.775%0.74975%0.751SS**  trans61.892.9160.6-65.7-169.666.800120.6
153L38.4Very low35Very low133 Ų133145 Ų14570%0.69675%0.745SS**  47135.1105.8-55.6166.9000118.6
154Q34.2Very low34.9Very low157 Ų157142 Ų14273%0.73474%0.743SS**  cis-172.7149.5-2.7-125.8175-7.300111
155V34.2Very low34.6Very low118 Ų118143.7 Ų143.772%0.71575%0.746SS**  42.9133.3124.6166.40000119.4
156D33.6Very low34.6Very low127 Ų127140.5 Ų140.568%0.67975%0.746SS**  cis-169.3175.3-4.2-128.1-53.5000115.2
157T32.8Very low34.3Very low99 Ų99142.2 Ų142.261%0.60775%0.749SS**  trans-14142.8148.3-53.90000117.6
158M33.2Very low34.2Very low163 Ų163143 Ų14380%0.80375%0.754SS**  -157.9168.251-128.3141.3-154.100109.7
159I34.7Very low34.2Very low144 Ų144142.8 Ų142.874%0.73876%0.761SS**  cis81.8129.221.8-66.1170.5000114.6
160P39.5Very low33.5Very low111 Ų111142.9 Ų142.972%0.72176%0.762SS**  cis-143.2-157.2-16.238.9-15000115.9
161E32.1Very low33.4Very low175 Ų175146.9 Ų146.982%0.81877%0.773SS**  trans99.9121.8140.8-136.1170.1-115.100124.3
162S30.5Very low32.9Very low112 Ų112143.7 Ų143.778%0.78377%0.768SS**  trans60.9142.2166.284.20000117.4
163S35.9Very low32.8Very low103 Ų103146 Ų14672%0.7277%0.769SS**  cis-170.316636.854.10000112.3
164V34.1Very low32.6Very low134 Ų134147.4 Ų147.481%0.81277%0.772SS**  trans56.2120157.4177.50000120
165Y25.8Very low32.5Very low210 Ų210148.8 Ų148.882%0.82477%0.772SS**  trans-63.5143.8163.4-78.9-110000112.5
166N32.8Very low32.7Very low157 Ų157152.4 Ų152.484%0.8478%0.782SS**  trans-157.5169.6131.6-111.5-46.5000113.9
167Y26.9Very low32.6Very low207 Ų207153.3 Ų153.381%0.81278%0.782SS**  trans-88163.6-160.1-93.6-101.8000116.5
168T27.7Very low32.9Very low119 Ų119154.5 Ų154.573%0.7379%0.794SS**  trans75.6111.1149.7-620000119.1
169T36Very low32.9Very low139 Ų139152.4 Ų152.485%0.85379%0.785SS**  -166145.6110.516.70000111.5
170N28.2Very low33Very low163 Ų163154.6 Ų154.687%0.87279%0.792SS**  trans-79.7139.4175.8-67.7-36.1000111.5
171K35.4Very low32.8Very low208 Ų208155.8 Ų155.890%0.90479%0.792SS**  trans-141.1140.2140.2-71.8-163.5177.6-179.60109.4
172A28.4Very low32.7Very low86 Ų86158.4 Ų158.471%0.71180%0.796SS**  trans-132.7145.2177.300000109.4
173Y34.4Very low33.2Very low200 Ų200158.2 Ų158.278%0.78479%0.792SS**  trans-154.2120.9160.4-82.1-64.4000104
174E33.9Very low33.1Very low163 Ų163162.8 Ų162.876%0.76280%0.799SS**  65.3137.391-74.1-174.7171.300113.4
175Y33Very low33Very low187 Ų187166 Ų16673%0.73380%0.802SS**  cis-168.1138.5-15.6-166.9-91.8000106.6
176E36.9Very low33.3Very low194 Ų194165.7 Ų165.791%0.90781%0.805SS**  trans-176146.9143.1-109173.1-164.800111.8
177E31.5Very low33.4Very low146 Ų146163 Ų16368%0.68280%0.798SS**  trans-118.9132.9-169.6-178.1175.4-159.700110.2I179E177-I179 HydrophobicContact CG-CG1 4.17Å
178S39.9Very low33.7Very low124 Ų124161.7 Ų161.787%0.86780%0.797SS**  trans-132.5108.7171.5-161.50000109.9
179I33.9Very low33.9Very low118 Ų118163.2 Ų163.261%0.60580%0.801SS**  trans-81.6136-171.2-60.2165.4000110.2E177E177-I179 HydrophobicContact CG-CG1 4.17Å
180H36.5Very low33.9Very low191 Ų191165.7 Ų165.788%0.88480%0.803SS**  trans-144.7123.2153.3-10758.2000110.6
181D34.1Very low34.3Very low135 Ų135165.2 Ų165.272%0.72280%0.795SS**  trans-70.2152.6-179-86.3-68.6000114.1
182Y31.6Very low34.3Very low230 Ų230161.5 Ų161.590%0.90279%0.785SS**  -155.2154.1128.3-105.1-84.7000108.2
183P39.6Very low34.7Very low109 Ų109163.7 Ų163.771%0.70879%0.785SS**  trans-92.9160.9-144.934.9-36.5000117.2
184K34.8Very low34.6Very low198 Ų198159.8 Ų159.886%0.86178%0.775SS**  trans-71.9123.7-176.2-63.9165.3-178.9166.60113.5K186K184-K186 PolarHBondContact O-N 3.01Å
185F32.2Very low34.8Very low201 Ų201155.9 Ų155.988%0.88277%0.765SS**  trans-78.8106.2162.3-99-89000111.3S187F185-S187 PolarHBondContact O-N 3.07Å
186K32.4Very low34.9Very low205 Ų205156.3 Ų156.389%0.89177%0.766SS**  trans-87.490.3170.2-79.1-174.6173.9-178.70111.1K184K184-K186 PolarHBondContact O-N 3.01Å
187S33.2Very low35Very low99 Ų99151.3 Ų151.369%0.69275%0.748SS**  trans-160.650.9168.665.80000114.4F185F185-S187 PolarHBondContact O-N 3.07Å
188F33.4Very low35.3Very low181 Ų181151.5 Ų151.579%0.79474%0.744SS**  trans-127.565.2179.6-155.6-94.4000113
189N33.2Very low35.2Very low150 Ų150149.3 Ų149.380%0.80273%0.729SS**SBendtrans-1537.5169.1-108.7-34.6000115.1
190Q35.1Very low35.3Very low191 Ų191146.6 Ų146.689%0.89372%0.72SS**SBendtrans-106.49.7-174.5-153.3167.911.500114
191Q36.8Very low35.4Very low153 Ų153144.3 Ų144.372%0.71571%0.71SS**SBendtrans-113.2-2.7-173.1-142.7166.123.400114.5
192L36.3Very low35.7Very low131 Ų131145.9 Ų145.969%0.68671%0.706SS**SBendtrans-90-11.2-179.2-69174.9000114.5
193N35.8Very low36.1Very low132 Ų132140.4 Ų140.471%0.70669%0.69SS**SBendtrans-95.8-10.2-175.7-138.417.3000114.5
194M33.4Very low36Very low118 Ų118140.1 Ų140.158%0.58168%0.682SS**Hα-helixtrans-82-23.1173.9-75-59.2-57.400113.4R196 T197 Y198M194-R196 VanDerWaalsContact C-N 3.34Å; M194-R196 PolarHBondContact O-N 3.19Å; M194-T197 PolarHBondContact O-OG1 3.08Å; M194-Y198 HydrophobicContact CE-CD2 4.38Å; M194-Y198 HydrophobicContact CE-CE2 4.1Å
195S36.9Very low36.3Very low80 Ų80134.2 Ų134.256%0.55967%0.666SS**Hα-helixtrans-77.2-17.9-173.9-49.10000113.9S199S195-S199 PolarHBondContact O-N 3.35Å
196R36.3Very low36.6Very low196 Ų196131.8 Ų131.874%0.7465%0.652SS**Hα-helixtrans-79.7-44.4178.2-73.4-174.7177.4-1151.9112.4M194 Y198 S199 S200M194-R196 VanDerWaalsContact C-N 3.34Å; M194-R196 PolarHBondContact O-N 3.19Å; R196-Y198 VanDerWaalsContact C-N 3.34Å; R196-Y198 PolarHBondContact O-N 2.91Å; R196-S199 WeakPolarHBondContact O-CB 3.3Å; R196-S199 PolarHBondContact O-N 3.25Å; R196-S200 PolarHBondContact O-N 3.03Å
197T38.7Very low37Very low89 Ų89128.1 Ų128.155%0.54664%0.638SS.*Hα-helixtrans-69.5-27.8178.837.90000113.6M194 S200M194-T197 PolarHBondContact O-OG1 3.08Å; T197-S200 PolarHBondContact O-OG 3.15Å
198Y36.6Very low37.4Very low151 Ų151130.8 Ų130.859%0.59264%0.639SS**Hα-helixtrans-73.1-27.5168.1-93.9-89.2000113M194 R196 W202M194-Y198 HydrophobicContact CE-CD2 4.38Å; M194-Y198 HydrophobicContact CE-CE2 4.1Å; R196-Y198 VanDerWaalsContact C-N 3.34Å; R196-Y198 PolarHBondContact O-N 2.91Å; Y198-W202 VanDerWaalsContact O-CD1 3.24Å
199S37.6Very low37.8Very low77 Ų77127.4 Ų127.454%0.53863%0.629SS.*Hα-helixtrans-73.7-28.6-177.6-168.80000113.7S195 R196S195-S199 PolarHBondContact O-N 3.35Å; R196-S199 WeakPolarHBondContact O-CB 3.3Å; R196-S199 PolarHBondContact O-N 3.25Å
200S37.5Very low38.2Very low62 Ų62124.4 Ų124.443%0.43461%0.613SS.*Hα-helixtrans-75.5-35.4177.147.90000112.4R196 T197 W202 M203 N204R196-S200 PolarHBondContact O-N 3.03Å; T197-S200 PolarHBondContact O-OG 3.15Å; S200-W202 PolarHBondContact O-N 3.34Å; S200-M203 PolarHBondContact O-N 2.77Å; S200-N204 PolarHBondContact O-N 3.47Å; S200-N204 PolarHBondContact O-OD1 3.26Å
201H37.6Very low38.5Very low143 Ų143120.1 Ų120.166%0.66261%0.605SS**Hα-helixtrans-62.9-28.9-176.1-167.441.2000113.8
202W41.5Very low38.8Very low167 Ų167117.2 Ų117.263%0.63359%0.594SS**Hα-helixtrans-79.5-32.6173.2-62.895.9000113.1Y198 S200 N204 S205 Y206Y198-W202 VanDerWaalsContact O-CD1 3.24Å; S200-W202 PolarHBondContact O-N 3.34Å; W202-N204 PolarHBondContact O-N 3.41Å; W202-S205 WeakPolarHBondContact O-CB 3.15Å; W202-S205 PolarHBondContact O-N 2.77Å; W202-S205 VanDerWaalsContact O-N 3.1Å; W202-Y206 WeakPolarHBondContact O-CD2 3.27Å
203M39.8Very low39.2Very low115 Ų115117 Ų11757%0.56759%0.587SS**Hα-helixtrans-61-42.6178.7-86-71-178.300112.2S200 S205 Y206 E207S200-M203 PolarHBondContact O-N 2.77Å; M203-S205 PolarHBondContact O-N 2.84Å; M203-Y206 WeakPolarHBondContact O-CB 3.37Å; M203-Y206 PolarHBondContact O-N 2.91Å; M203-E207 PolarHBondContact O-N 3.47Å
204N36.7Very low39.6Very low103 Ų103118.5 Ų118.555%0.55159%0.59SS**Hα-helixtrans-59.2-20.6175.9-67.852.8000113.6S200 W202S200-N204 PolarHBondContact O-N 3.47Å; S200-N204 PolarHBondContact O-OD1 3.26Å; W202-N204 PolarHBondContact O-N 3.41Å
205S41.9Very low40.1Very low75 Ų75120.5 Ų120.552%0.52460%0.598SS.*Hα-helixtrans-85.3-12.8175.4-162.30000113.3W202 M203W202-S205 WeakPolarHBondContact O-CB 3.15Å; W202-S205 PolarHBondContact O-N 2.77Å; W202-S205 VanDerWaalsContact O-N 3.1Å; M203-S205 PolarHBondContact O-N 2.84Å
206Y38.9Very low40.2Very low149 Ų149122.8 Ų122.858%0.58460%0.603SS**Hα-helixtrans-90.8-40.9172.3-78.5-81.1000112.1W202 M203 Q208 L209 D210W202-Y206 WeakPolarHBondContact O-CD2 3.27Å; M203-Y206 WeakPolarHBondContact O-CB 3.37Å; M203-Y206 PolarHBondContact O-N 2.91Å; Y206-Q208 PolarHBondContact O-N 2.8Å; Y206-L209 WeakPolarHBondContact O-CB 2.89Å; Y206-L209 PolarHBondContact O-N 3.07Å; Y206-D210 PolarHBondContact O-N 2.75Å
207E40.7Very low40.6Very low128 Ų128117.7 Ų117.760%0.59859%0.594SS**Hα-helixtrans-57.8-35.9179-67176.9161.900112.1M203 L209 D210M203-E207 PolarHBondContact O-N 3.47Å; E207-L209 PolarHBondContact O-N 3.24Å; E207-D210 PolarHBondContact O-N 3.25Å
208Q41.2Very low40.7Very low155 Ų155119 Ų11972%0.72460%0.597SS**Hα-helixtrans-75.5-5.8178.5-148.2169.852.200114.4Y206Y206-Q208 PolarHBondContact O-N 2.8Å
209L40.6Very low41.1Very low110 Ų110119 Ų11958%0.57660%0.603SS**Hα-helixtrans-98.6-25.1173.8-87.2164000113Y206 E207 N212Y206-L209 WeakPolarHBondContact O-CB 2.89Å; Y206-L209 PolarHBondContact O-N 3.07Å; E207-L209 PolarHBondContact O-N 3.24Å; L209-N212 PolarHBondContact O-N 3.38Å
210D43.2Very low41.2Very low87 Ų87122.9 Ų122.947%0.46562%0.617SS.*Hα-helixtrans-74.5-26.1179.7-77.2-29.7000112.7Y206 E207 N212 K213Y206-D210 PolarHBondContact O-N 2.75Å; E207-D210 PolarHBondContact O-N 3.25Å; D210-N212 VanDerWaalsContact C-N 3.26Å; D210-N212 PolarHBondContact O-N 3.41Å; D210-K213 VanDerWaalsContact O-CB 3.22Å; D210-K213 WeakPolarHBondContact O-CB 3.1Å; D210-K213 PolarHBondContact O-N 3.2Å; D210-K213 WeakPolarHBondContact OD1-CD 3.49Å; D210-K213 WeakPolarHBondContact OD1-CE 3.42Å; D210-K213 IonicContact OD1-NZ 2.69Å; D210-K213 PolarHBondContact OD1-NZ 3.43Å
211S39.9Very low41.4Very low102 Ų102125.3 Ų125.371%0.71363%0.629SS**THydrogen-bonded Turntrans-65.3-23.8171.9-54.50000114.3
212N43.3Very low41.6Very low92 Ų92123.9 Ų123.949%0.49263%0.631SS.*THydrogen-bonded Turntrans-96.89.9-177.5-60.2-18.7000112.5L209 D210L209-N212 PolarHBondContact O-N 3.38Å; D210-N212 VanDerWaalsContact C-N 3.26Å; D210-N212 PolarHBondContact O-N 3.41Å
213K44.3Very low41.3Very low126 Ų126123.2 Ų123.255%0.54864%0.64SS.*THydrogen-bonded Turntrans-91.8-24.7-164.6-148.5-179-152.8166.20113.9D210D210-K213 VanDerWaalsContact O-CB 3.22Å; D210-K213 WeakPolarHBondContact O-CB 3.1Å; D210-K213 PolarHBondContact O-N 3.2Å; D210-K213 WeakPolarHBondContact OD1-CD 3.49Å; D210-K213 WeakPolarHBondContact OD1-CE 3.42Å; D210-K213 IonicContact OD1-NZ 2.69Å; D210-K213 PolarHBondContact OD1-NZ 3.43Å
214E44.9Very low41.1Very low164 Ų164128.9 Ų128.977%0.76666%0.655SS**THydrogen-bonded Turntrans-86.1-19.3-178.9-57-166.1146.100113.1T217 N218E214-T217 PolarHBondContact O-OG1 3.42Å; E214-N218 PolarHBondContact O-ND2 3.26Å
215E43.1Very low41.3Very low159 Ų159131.5 Ų131.574%0.74367%0.667SS**THydrogen-bonded Turntrans-82.3-40178.9-162.9166.1-146.600111.7T217E215-T217 VanDerWaalsContact C-N 3.33Å; E215-T217 PolarHBondContact O-N 3.18Å
216L40.7Very low41Very low129 Ų129133.5 Ų133.568%0.67568%0.678SS**THydrogen-bonded Turntrans-75.9-9.8-177.7-84165.1000115.4
217T42.9Very low40.8Very low89 Ų89134.6 Ų134.655%0.54669%0.693SS.*THydrogen-bonded Turntrans-80.8-17.5179.240.80000114.3E214 E215E214-T217 PolarHBondContact O-OG1 3.42Å; E215-T217 VanDerWaalsContact C-N 3.33Å; E215-T217 PolarHBondContact O-N 3.18Å
218N42.5Very low40.6Very low115 Ų115137 Ų13762%0.61570%0.702SS**THydrogen-bonded Turntrans-89-32.5-173.4-61.1-37.7000112.9E214 L220 T221E214-N218 PolarHBondContact O-ND2 3.26Å; N218-L220 PolarHBondContact O-N 3.12Å; N218-T221 PolarHBondContact O-OG1 3.37Å
219E45.3Very low40.2Very low151 Ų151138.1 Ų138.171%0.70671%0.707SS**G310 helixtrans-69.6-29.5-179.9-76.6-70.9110.400114.2T221E219-T221 VanDerWaalsContact C-N 3.28Å; E219-T221 PolarHBondContact O-N 2.97Å
220L39.4Very low39.9Very low160 Ų160137.7 Ų137.784%0.83871%0.713SS**G310 helixtrans-83.45.4-164.7-149.671.4000115N218N218-L220 PolarHBondContact O-N 3.12Å
221T41.4Very low39.6Very low112 Ų112140.6 Ų140.669%0.68773%0.726SS**G310 helixtrans-99.9-16.4-173.957.40000114.6N218 E219N218-T221 PolarHBondContact O-OG1 3.37Å; E219-T221 VanDerWaalsContact C-N 3.28Å; E219-T221 PolarHBondContact O-N 2.97Å
222T40.9Very low39.4Very low113 Ų113145 Ų14569%0.69373%0.732SS**SBendtrans-91.8-20.3-164.4-45.40000114.7
223N35.9Very low38.9Very low153 Ų153150.6 Ų150.682%0.81875%0.752SS**  trans-110.778.8-170.4-78.3-61.4000113.5
224R36.1Very low38.4Very low234 Ų234148.4 Ų148.488%0.88377%0.765SS**  trans-14066.5-178.7-154.3-179.6-162-174.86.7114.5
225I40.4Very low37.8Very low159 Ų159145.8 Ų145.882%0.81577%0.765SS**  trans-86.4124.8176.6-57.4175.6000110.7
226P35.2Very low37.6Very low116 Ų116144.3 Ų144.375%0.75377%0.767SS**  trans-98.4123.7175.934.8-29000112.4
227L35Very low37.3Very low173 Ų173149 Ų14991%0.90678%0.776SS**  trans-106.3124.2170.3-83.7164.7000111.2
228K35.9Very low37.1Very low178 Ų178152.2 Ų152.277%0.77479%0.789SS**  trans-102.5142.7174.1-72.4-177.5177.1179.20110.6
229Q34.3Very low36.7Very low178 Ų178151.9 Ų151.983%0.83280%0.796SS**  trans39.6125142-59.4169.2-48.500119.2
230S34.4Very low36.5Very low101 Ų101153.2 Ų153.271%0.70681%0.806SS**  -177.4146108.5-154.90000115.5
231M35Very low36.3Very low149 Ų149151.8 Ų151.873%0.73480%0.804SS**  trans51.9113.4149.5-80.3-166.1-62.700123.6
232K36.4Very low36Very low193 Ų193155.9 Ų155.984%0.83981%0.812SS**  130146.399.1-108175.9177.9172.10116.1
233K33.6Very low35.9Very low211 Ų211157.3 Ų157.392%0.91782%0.822SS**  trans-85.7148.1-179.4-64.3175.8175.5178.70111.8
234G34Very low35.7Very low79 Ų79157 Ų15781%0.81482%0.819SS**  trans-141.3140156.100000108.5
235S31Very low35.5Very low109 Ų109151.5 Ų151.576%0.76281%0.812SS**  trans-151.5123.8-170.7157.50000111.4
236T38.7Very low35.3Very low128 Ų128149.9 Ų149.979%0.78580%0.804SS**  trans-136.6128.9159.9-44.80000108.7
237R34.3Very low35.3Very low229 Ų229153 Ų15386%0.86480%0.803SS**  trans-102.3135.9162.7-66.3166.169.5162.52.7105.9
238D40.3Very low35.6Very low155 Ų155150.2 Ų150.283%0.82979%0.788SS**  trans-129.9151.1159.2-89.8-58.7000109.6
239S34.3Very low35.9Very low109 Ų109147.4 Ų147.476%0.76278%0.782SS**  trans-146.3124-161.554.40000111
240I39.4Very low36.2Very low178 Ų178145 Ų14591%0.91378%0.775SS**  trans-119.6137.3173.5-62.2-176.1000109.8
241T36.4Very low36.5Very low131 Ų131147.1 Ų147.180%0.80478%0.778SS**  trans-82163.8-16328.30000115
242K35.2Very low36.7Very low197 Ų197147.8 Ų147.886%0.85778%0.779SS**  trans-49.8142.3166.5-54.8164.8-178.7175.30112
243T38.2Very low36.9Very low144 Ų144141.5 Ų141.588%0.88377%0.77SS**  trans-115.1168.6150.839.30000109.9
244L31.3Very low36.9Very low147 Ų147136.6 Ų136.677%0.7775%0.753SS**  trans-136157.6-147.6-153.676.9000112.5
245T32.9Very low36.8Very low118 Ų118144.9 Ų144.972%0.72476%0.76SS**  trans72.1161.5171.780.90000114.6
246N35.5Very low37Very low124 Ų124147 Ų14766%0.66376%0.763SS**  cis-155.2165.614.4-143-10.3000113.9
247Y34.8Very low36.9Very low183 Ų183146.5 Ų146.572%0.71876%0.76SS**  trans61.393.8165.3-76.9-83.6000121.6
248D40.8Very low37.1Very low113 Ų113144.8 Ų144.860%0.60476%0.759SS**  79.1140.699.7-81.330.7000127.1
249N42.3Very low36.9Very low120 Ų120144 Ų14464%0.64276%0.755SS**  trans67.3120.7139.8-63.9-27.9000120
250N41.6Very low37.1Very low127 Ų127145.5 Ų145.568%0.67975%0.754SS**  cis-177.8160.319.9-113-34.9000112.5
251N40.3Very low37.1Very low145 Ų145142.8 Ų142.878%0.77575%0.746SS**  trans66.4144.1160.6-68.6-29.7000121.4
252H40.4Very low37.8Very low163 Ų163145 Ų14576%0.75575%0.75SS**  cis-166.8152.9-25.5-176.1-94.7000109.9
253G39.4Very low38Very low62 Ų62142.3 Ų142.364%0.63974%0.744SS**  trans103.170.8168.500000113.9
254N33.9Very low38.4Very low108 Ų108141.2 Ų141.258%0.57874%0.737SS**  64.996.353.4-170.215.4000114.8
255W31.5Very low38.9Very low253 Ų253140 Ų14096%0.95873%0.732SS**  trans-149.776.9140.7-85.6105.6000107.9
256N35.9Very low39.5Very low154 Ų154141.5 Ų141.582%0.82473%0.73SS**  trans-14480.9-178.5-100.7-6.8000111.8
257T37.3Very low40Very low116 Ų116142.6 Ų142.671%0.71273%0.731SS**  trans-149.493.3164.5-37.40000111.4
258F38.1Very low40.4Very low194 Ų194141.6 Ų141.685%0.85173%0.733SS**  169.3113120.4-101.7-77.2000109.7
259N35.4Very low40.8Very low139 Ų139141.3 Ų141.374%0.74373%0.731SS**  trans-74.2159.5151.9-57.1-30.8000106.5
260D39.4Very low41Very low140 Ų140142.2 Ų142.275%0.74973%0.732SS**  -163.5165.362.4-94.6-47.4000113.9
261T38.3Very low41.2Very low120 Ų120140.8 Ų140.874%0.73672%0.722SS**  trans48.191.5155.853.60000119.2
262M51.3Low41.5Very low179 Ų179140.2 Ų140.288%0.88272%0.719SS**  -140.1111.8126-88.5-55.6150.800110.5V264M262-V264 PolarHBondContact O-N 3.33Å
263N38.5Very low41.7Very low139 Ų139137.5 Ų137.574%0.74371%0.71SS**  trans-81.1107.7176.5173.415.8000110.4N265N263-N265 PolarHBondContact OD1-N 2.98Å
264V48.1Very low42Very low121 Ų121140.4 Ų140.473%0.73371%0.707SS**  trans-130.770172.5-168.60000110.9M262 H266M262-V264 PolarHBondContact O-N 3.33Å; V264-H266 PolarHBondContact O-N 2.82Å; V264-H266 VanDerWaalsContact O-N 3.12Å
265N41.9Very low42.8Very low123 Ų123138.1 Ų138.166%0.65869%0.694SS**  trans28.870.6151.1-65.8-43.6000117.5N263 H267N263-N265 PolarHBondContact OD1-N 2.98Å; N265-H267 PolarHBondContact O-N 2.86Å
266H44.6Very low43.3Very low149 Ų149130.8 Ų130.869%0.6968%0.682SS**  trans-7639.8175.9-153.9-43.1000113.4V264 Q268 D269V264-H266 PolarHBondContact O-N 2.82Å; V264-H266 VanDerWaalsContact O-N 3.12Å; H266-Q268 VanDerWaalsContact C-N 3.28Å; H266-Q268 PolarHBondContact O-N 2.87Å; H266-Q268 VanDerWaalsContact O-N 3.1Å; H266-D269 VanDerWaalsContact CE1-CG 3.42Å; H266-D269 IonicContact CE1-OD1 3.04Å; H266-D269 PolarHBondContact CE1-OD1 2.93Å; H266-D269 IonicContact CE1-OD2 3.35Å; H266-D269 PolarHBondContact CE1-OD2 2.69Å; H266-D269 IonicContact ND1-OD1 3.09Å; H266-D269 PolarHBondContact ND1-OD1 3.48Å; H266-D269 VanDerWaalsContact ND1-OD1 3.09Å; H266-D269 IonicContact ND1-OD2 3.96Å
267H46.7Very low43.7Very low146 Ų146128 Ų12868%0.67667%0.674SS**THydrogen-bonded Turntrans-86.541.2-171.4-106.1-52.3000113.8N265 E270N265-H267 PolarHBondContact O-N 2.86Å; H267-E270 IonicContact CE1-OE2 3.68Å; H267-E270 IonicContact ND1-OE2 3.39Å; H267-E270 PolarHBondContact ND1-OE2 3.04Å
268Q43.8Very low44.8Very low163 Ų163123.4 Ų123.476%0.76265%0.648SS**THydrogen-bonded Turntrans-121-9.1179.3-67.8-169.2-2.900114.9H266H266-Q268 VanDerWaalsContact C-N 3.28Å; H266-Q268 PolarHBondContact O-N 2.87Å; H266-Q268 VanDerWaalsContact O-N 3.1Å
269D47.9Very low46.8Very low106 Ų106117.3 Ų117.357%0.56763%0.63SS**G310 helixtrans-89.8-12.4-173.3-66.442.1000112.9H266 M271H266-D269 VanDerWaalsContact CE1-CG 3.42Å; H266-D269 IonicContact CE1-OD1 3.04Å; H266-D269 PolarHBondContact CE1-OD1 2.93Å; H266-D269 IonicContact CE1-OD2 3.35Å; H266-D269 PolarHBondContact CE1-OD2 2.69Å; H266-D269 IonicContact ND1-OD1 3.09Å; H266-D269 PolarHBondContact ND1-OD1 3.48Å; H266-D269 VanDerWaalsContact ND1-OD1 3.09Å; H266-D269 IonicContact ND1-OD2 3.96Å; D269-M271 VanDerWaalsContact C-N 3.29Å; D269-M271 PolarHBondContact O-N 3.29Å
270E46Very low49.3Very low140 Ų140119 Ų11965%0.65463%0.633SS**G310 helixtrans-74-18.3175.4-64.9-176.5122.500112.9H267 D272 N273H267-E270 IonicContact CE1-OE2 3.68Å; H267-E270 IonicContact ND1-OE2 3.39Å; H267-E270 PolarHBondContact ND1-OE2 3.04Å; E270-D272 VanDerWaalsContact C-N 3.3Å; E270-D272 PolarHBondContact O-N 3.4Å; E270-N273 WeakPolarHBondContact O-CB 3.22Å; E270-N273 PolarHBondContact O-N 3.49Å; E270-N273 VanDerWaalsContact O-N 3.12Å
271M46.8Very low51.7Low96 Ų96113.8 Ų113.847%0.47361%0.605SS.*G310 helixtrans-70.5-22.9178.8-66.4-164.267.700113.5D269 N273 E327D269-M271 VanDerWaalsContact C-N 3.29Å; D269-M271 PolarHBondContact O-N 3.29Å; M271-N273 PolarHBondContact O-N 2.61Å; M271-E327 WeakPolarHBondContact CE-OE1 3.26Å
272D47.1Very low54.2Low134 Ų134108.9 Ų108.972%0.71758%0.575SS**G310 helixtrans-71-11.7172.7-84.3-18000112.3E270 L275E270-D272 VanDerWaalsContact C-N 3.3Å; E270-D272 PolarHBondContact O-N 3.4Å; D272-L275 PolarHBondContact O-N 3.19Å
273N44.3Very low56.2Low106 Ų106102 Ų10257%0.56754%0.543SS*.G310 helixtrans-83.5-16.9-175.3-15514.1000114.1E270 M271 L275 S276E270-N273 WeakPolarHBondContact O-CB 3.22Å; E270-N273 PolarHBondContact O-N 3.49Å; E270-N273 VanDerWaalsContact O-N 3.12Å; M271-N273 PolarHBondContact O-N 2.61Å; N273-L275 PolarHBondContact O-N 2.9Å; N273-L275 VanDerWaalsContact O-N 3.08Å; N273-S276 WeakPolarHBondContact O-CB 3.37Å; N273-S276 PolarHBondContact O-N 2.73Å; N273-S276 VanDerWaalsContact OD1-CB 3.24Å; N273-S276 WeakPolarHBondContact OD1-CB 3.4Å
274E44.9Very low58.7Low122 Ų12296.9 Ų96.957%0.5752%0.52SS*.G310 helixtrans-69.6-2170.9-152179.9-127.900112.4S277E274-S277 PolarHBondContact O-OG 3.15Å
275L50.7Low61Low60 Ų6091.1 Ų91.131%0.31449%0.485SS..G310 helixtrans-88.5-14.5165-79.4164.3000115.1D272 N273 A278 R330D272-L275 PolarHBondContact O-N 3.19Å; N273-L275 PolarHBondContact O-N 2.9Å; N273-L275 VanDerWaalsContact O-N 3.08Å; L275-A278 HydrophobicContact CD2-CB 4.37Å; L275-R330 VanDerWaalsContact CD1-NE 3.35Å
276S42.6Very low63.5Low99 Ų9985.3 Ų85.369%0.69245%0.454SS*.THydrogen-bonded Turntrans-77.4-27.9172.6-155.80000111.4N273N273-S276 WeakPolarHBondContact O-CB 3.37Å; N273-S276 PolarHBondContact O-N 2.73Å; N273-S276 VanDerWaalsContact OD1-CB 3.24Å; N273-S276 WeakPolarHBondContact OD1-CB 3.4Å
277S43.6Very low65.9Low95 Ų9579.6 Ų79.666%0.66443%0.429SS*.SBendtrans-81.7-24.5172.455.30000113.5E274 S279E274-S277 PolarHBondContact O-OG 3.15Å; S277-S279 PolarHBondContact O-N 3.3Å; S277-S279 VanDerWaalsContact O-N 3.1Å
278A60.7Low68.2Low20 Ų2073 Ų7317%0.16540%0.398CS..SBendtrans-79.390.7176.400000111.5L275 T282 T283L275-A278 HydrophobicContact CD2-CB 4.37Å; A278-T282 HydrophobicContact CB-CG2 4.45Å; A278-T283 PolarHBondContact O-OG1 3.06Å
279S81.2Confident70.7Confident67 Ų6765.2 Ų65.247%0.46936%0.362SS..  trans-26.1138.9178.4177.20000115S277 L281 T282 T283S277-S279 PolarHBondContact O-N 3.3Å; S277-S279 VanDerWaalsContact O-N 3.1Å; S279-L281 CarbonylContact O-C 3.6Å; S279-L281 PolarHBondContact O-N 2.93Å; S279-T282 WeakPolarHBondContact O-CA 3.39Å; S279-T282 VanDerWaalsContact O-CB 3.29Å; S279-T282 WeakPolarHBondContact O-CB 3.48Å; S279-T282 PolarHBondContact O-N 2.91Å; S279-T283 PolarHBondContact O-N 2.96Å
280E87.5Confident73Confident173 Ų17360.2 Ų60.281%0.80834%0.335SS*.Hα-helixtrans-48.3-38.9178.6-176.7175.7-168.800112T283 A284E280-T283 PolarHBondContact O-N 3.48Å; E280-A284 VanDerWaalsContact O-CB 3.23Å; E280-A284 WeakPolarHBondContact O-CB 3.13Å; E280-A284 PolarHBondContact O-N 3.33Å
281L90.2Very high75.3Confident32 Ų3257.6 Ų57.617%0.16832%0.319CS..Hα-helixtrans-51.2-59.9170.3-179.784.7000113S279 T283 A284 A285 S364 E366 A367 L370S279-L281 CarbonylContact O-C 3.6Å; S279-L281 PolarHBondContact O-N 2.93Å; L281-T283 VanDerWaalsContact C-N 3.28Å; L281-T283 PolarHBondContact O-N 2.84Å; L281-A284 PolarHBondContact O-N 3.48Å; L281-A285 VanDerWaalsContact O-CB 3.29Å; L281-A285 WeakPolarHBondContact O-CB 3.49Å; L281-A285 PolarHBondContact O-N 2.9Å; L281-S364 WeakPolarHBondContact CD1-OG 3.33Å; L281-E366 HydrophobicContact CD1-CB 3.79Å; L281-E366 HydrophobicContact CD1-CG 3.82Å; L281-E366 WeakPolarHBondContact CD1-OE2 3.46Å; L281-E366 HydrophobicContact CD2-CG 3.81Å; L281-E366 VanDerWaalsContact CD2-OE1 3.26Å; L281-E366 WeakPolarHBondContact CD2-OE1 3.32Å; L281-E366 WeakPolarHBondContact CD2-OE2 3.22Å; L281-E366 HydrophobicContact CG-CG 4.37Å; L281-A367 HydrophobicContact CD1-CB 3.91Å; L281-L370 HydrophobicContact CD2-CD1 3.71Å; L281-L370 HydrophobicContact CG-CD1 3.9Å
282T91Very high77.5Confident17 Ų1756.6 Ų56.610%0.10431%0.31CS..Hα-helixtrans-55.1-45.6177.5-62.80000110.4A278 S279 Y286 W323A278-T282 HydrophobicContact CB-CG2 4.45Å; S279-T282 WeakPolarHBondContact O-CA 3.39Å; S279-T282 VanDerWaalsContact O-CB 3.29Å; S279-T282 WeakPolarHBondContact O-CB 3.48Å; S279-T282 PolarHBondContact O-N 2.91Å; T282-Y286 VanDerWaalsContact O-CB 3.22Å; T282-Y286 WeakPolarHBondContact O-CB 3.44Å; T282-Y286 PolarHBondContact O-N 3.32Å; T282-W323 HydrophobicContact CG2-CE3 4.24Å; T282-W323 HydrophobicContact CG2-CZ3 3.88Å
283T91.6Very high79.9Confident33 Ų3350.2 Ų50.220%0.20228%0.277CS..Hα-helixtrans-67.5-41.1179.6-77.10000112A278 S279 E280 L281 N287A278-T283 PolarHBondContact O-OG1 3.06Å; S279-T283 PolarHBondContact O-N 2.96Å; E280-T283 PolarHBondContact O-N 3.48Å; L281-T283 VanDerWaalsContact C-N 3.28Å; L281-T283 PolarHBondContact O-N 2.84Å; T283-N287 WeakPolarHBondContact CG2-ND2 3.45Å; T283-N287 WeakPolarHBondContact O-CB 3.42Å; T283-N287 PolarHBondContact O-N 3.23Å; T283-N287 PolarHBondContact O-ND2 3.41Å
284A92.1Very high82.3Confident33 Ų3345.2 Ų45.227%0.27325%0.25SC..Hα-helixtrans-67.1-44.717700000112.2E280 L281 N287 N288 L363E280-A284 VanDerWaalsContact O-CB 3.23Å; E280-A284 WeakPolarHBondContact O-CB 3.13Å; E280-A284 PolarHBondContact O-N 3.33Å; L281-A284 PolarHBondContact O-N 3.48Å; A284-N287 CarbonylContact O-C 3.57Å; A284-N287 PolarHBondContact O-N 2.78Å; A284-N288 PolarHBondContact O-N 3.28Å; A284-L363 HydrophobicContact CB-CD2 4.07Å
285A95.2Very high84.6Confident0 Ų042 Ų420%024%0.236CC..Hα-helixtrans-61.4-53175.900000111.4L281 N287 N288 F289 W323 A367 L370 V371L281-A285 VanDerWaalsContact O-CB 3.29Å; L281-A285 WeakPolarHBondContact O-CB 3.49Å; L281-A285 PolarHBondContact O-N 2.9Å; A285-N287 VanDerWaalsContact C-N 3.26Å; A285-N287 PolarHBondContact O-N 3.26Å; A285-N288 PolarHBondContact O-N 3.27Å; A285-F289 PolarHBondContact O-N 2.04Å; A285-W323 HydrophobicContact CB-CH2 3.56Å; A285-W323 HydrophobicContact CB-CZ2 4.03Å; A285-A367 HydrophobicContact CB-CB 4.12Å; A285-L370 HydrophobicContact CB-CB 3.91Å; A285-L370 HydrophobicContact CB-CD1 4.19Å; A285-V371 HydrophobicContact CB-CG2 3.97Å; A285-V371 WeakPolarHBondContact O-CG2 2.95Å
286Y95.7Very high86.5Confident0 Ų043.2 Ų43.20%024%0.243CC..Hα-helixtrans-55.3-41.7173172.4-102.3000112.3T282 N288 F289 V290 W323 L326 H331 R334T282-Y286 VanDerWaalsContact O-CB 3.22Å; T282-Y286 WeakPolarHBondContact O-CB 3.44Å; T282-Y286 PolarHBondContact O-N 3.32Å; Y286-N288 PolarHBondContact O-N 3.19Å; Y286-F289 PolarHBondContact O-N 3.4Å; Y286-V290 HydrophobicContact CD2-CG2 3.96Å; Y286-V290 HydrophobicContact CE1-CG2 4.14Å; Y286-V290 HydrophobicContact CE2-CG2 3.53Å; Y286-V290 HydrophobicContact CG-CG2 4.45Å; Y286-V290 WeakPolarHBondContact O-CG2 3.48Å; Y286-V290 PolarHBondContact O-N 2.84Å; Y286-W323 HydrophobicContact CD2-CB 4.34Å; Y286-W323 AromaticContact CD2-CD1 3.7Å; Y286-W323 HydrophobicContact CD2-CD2 4.04Å; Y286-W323 AromaticContact CD2-CG 3.76Å; Y286-W323 HydrophobicContact CD2-CG 3.76Å; Y286-W323 AromaticContact CD2-NE1 3.94Å; Y286-W323 HydrophobicContact CE2-CG 4.45Å; Y286-L326 HydrophobicContact CD1-CD1 4.14Å; Y286-L326 HydrophobicContact CD2-CD1 3.41Å; Y286-L326 VanDerWaalsContact CD2-CD1 3.41Å; Y286-L326 HydrophobicContact CE1-CD1 4.26Å; Y286-L326 HydrophobicContact CE2-CD1 3.57Å; Y286-L326 HydrophobicContact CG-CD1 3.69Å; Y286-H331 AromaticContact CE2-CE1 3.9Å; Y286-H331 AromaticContact CE2-ND1 3.56Å; Y286-H331 AromaticContact CZ-ND1 3.67Å; Y286-H331 WeakPolarHBondContact OH-CA 3.35Å; Y286-H331 PolarHBondContact OH-ND1 3.27Å; Y286-R334 HydrophobicContact CE1-CB 4.14Å; Y286-R334 HydrophobicContact CE1-CG 3.76Å
287N94.8Very high89Confident30 Ų3039 Ų3916%0.1621%0.213CC..Hα-helixtrans-67.4-19.7178-75.4-22.4000113.9T283 A284 A285 R291 R334T283-N287 WeakPolarHBondContact CG2-ND2 3.45Å; T283-N287 WeakPolarHBondContact O-CB 3.42Å; T283-N287 PolarHBondContact O-N 3.23Å; T283-N287 PolarHBondContact O-ND2 3.41Å; A284-N287 CarbonylContact O-C 3.57Å; A284-N287 PolarHBondContact O-N 2.78Å; A285-N287 VanDerWaalsContact C-N 3.26Å; A285-N287 PolarHBondContact O-N 3.26Å; N287-R291 WeakPolarHBondContact O-CD 3.37Å; N287-R291 VanDerWaalsContact O-CG 3.3Å; N287-R291 WeakPolarHBondContact O-CG 3.21Å; N287-R291 PolarHBondContact O-NH1 3.41Å; N287-R334 VanDerWaalsContact CG-NH2 3.28Å; N287-R334 PolarHBondContact OD1-NE 2.98Å; N287-R334 VanDerWaalsContact OD1-NE 3.11Å; N287-R334 PolarHBondContact OD1-NH1 3.44Å; N287-R334 PolarHBondContact OD1-NH2 3.3Å; N287-R334 VanDerWaalsContact OD1-NH2 3.1Å
288N94.5Very high91.4Very high7 Ų735.2 Ų35.24%0.03719%0.186CC..Hα-helixtrans-87.7-46.1169.3-179-82.6000111.5A284 A285 Y286 V290 R291 R292 L363 V371A284-N288 PolarHBondContact O-N 3.28Å; A285-N288 PolarHBondContact O-N 3.27Å; Y286-N288 PolarHBondContact O-N 3.19Å; N288-V290 PolarHBondContact O-N 3.45Å; N288-R291 WeakPolarHBondContact O-CA 3.49Å; N288-R291 WeakPolarHBondContact O-CB 3.5Å; N288-R291 PolarHBondContact O-N 3.39Å; N288-R292 PolarHBondContact O-N 2.9Å; N288-R292 VanDerWaalsContact O-N 3.11Å; N288-R292 PolarHBondContact OD1-NH1 2.84Å; N288-L363 HydrophobicContact CB-CD1 3.84Å; N288-V371 HydrophobicContact CB-CG2 4.08Å
289F96.5Very high93Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-50.3-52.4176174.1-94000111.8A285 Y286 R291 R292 V293 I318 A322 W323 V371 A374 L375 V378A285-F289 PolarHBondContact O-N 2.04Å; Y286-F289 PolarHBondContact O-N 3.4Å; F289-R291 PolarHBondContact O-N 3.16Å; F289-R292 PolarHBondContact O-N 2.75Å; F289-R292 VanDerWaalsContact O-N 3.16Å; F289-V293 HydrophobicContact CD2-CG1 4.4Å; F289-V293 HydrophobicContact CE1-CG1 4.26Å; F289-V293 HydrophobicContact CE1-CG2 4.27Å; F289-V293 HydrophobicContact CE2-CG1 3.97Å; F289-V293 HydrophobicContact CZ-CG1 3.89Å; F289-V293 PolarHBondContact O-N 3.38Å; F289-V293 VanDerWaalsContact O-N 3.08Å; F289-I318 HydrophobicContact CZ-CG2 4.1Å; F289-A322 HydrophobicContact CE1-CB 3.83Å; F289-A322 HydrophobicContact CE2-CB 3.88Å; F289-A322 HydrophobicContact CZ-CB 3.36Å; F289-W323 HydrophobicContact CB-CZ2 4.48Å; F289-W323 AromaticContact CD1-CD1 3.8Å; F289-W323 AromaticContact CD1-NE1 3.42Å; F289-W323 AromaticContact CE1-CD1 3.97Å; F289-W323 AromaticContact CE1-NE1 3.96Å; F289-W323 AromaticContact CG-NE1 3.47Å; F289-V371 HydrophobicContact CB-CG2 4.47Å; F289-A374 HydrophobicContact CD2-CB 3.79Å; F289-A374 HydrophobicContact CE2-CB 3.93Å; F289-L375 HydrophobicContact CD2-CD2 3.97Å; F289-L375 HydrophobicContact CD2-CG 4.11Å; F289-L375 HydrophobicContact CE2-CD2 3.9Å; F289-L375 HydrophobicContact CE2-CG 4.27Å; F289-V378 HydrophobicContact CE2-CG2 3.96Å; F289-V378 HydrophobicContact CZ-CG2 4Å
290V96Very high93.6Very high1 Ų137.1 Ų37.11%0.00618%0.184CC..Hα-helixtrans-65.1-24.8179.7179.90000112.8Y286 N288 V294 R334 I335Y286-V290 HydrophobicContact CD2-CG2 3.96Å; Y286-V290 HydrophobicContact CE1-CG2 4.14Å; Y286-V290 HydrophobicContact CE2-CG2 3.53Å; Y286-V290 HydrophobicContact CG-CG2 4.45Å; Y286-V290 WeakPolarHBondContact O-CG2 3.48Å; Y286-V290 PolarHBondContact O-N 2.84Å; N288-V290 PolarHBondContact O-N 3.45Å; V290-V294 HydrophobicContact CG1-CG2 4.21Å; V290-V294 VanDerWaalsContact O-CB 3.29Å; V290-V294 WeakPolarHBondContact O-CB 3.45Å; V290-V294 WeakPolarHBondContact O-CG2 3.21Å; V290-V294 PolarHBondContact O-N 2.87Å; V290-R334 HydrophobicContact CB-CG 4.16Å; V290-R334 HydrophobicContact CG1-CG 3.79Å; V290-R334 HydrophobicContact CG2-CG 4.22Å; V290-I335 HydrophobicContact CG1-CG1 4.04Å
291R94.4Very high93.7Very high84 Ų8432.2 Ų32.232%0.31717%0.166SC..Hα-helixtrans-70.4-47.3173.3-69.6170.9175.5139.7-8.1110.9N287 N288 F289 D295 Y338N287-R291 WeakPolarHBondContact O-CD 3.37Å; N287-R291 VanDerWaalsContact O-CG 3.3Å; N287-R291 WeakPolarHBondContact O-CG 3.21Å; N287-R291 PolarHBondContact O-NH1 3.41Å; N288-R291 WeakPolarHBondContact O-CA 3.49Å; N288-R291 WeakPolarHBondContact O-CB 3.5Å; N288-R291 PolarHBondContact O-N 3.39Å; F289-R291 PolarHBondContact O-N 3.16Å; R291-D295 WeakPolarHBondContact O-CB 3.28Å; R291-D295 PolarHBondContact O-N 3.08Å; R291-Y338 HydrophobicContact CB-CE1 4.11Å; R291-Y338 HydrophobicContact CB-CE2 4.38Å; R291-Y338 HydrophobicContact CG-CD2 4.11Å; R291-Y338 HydrophobicContact CG-CE1 4.18Å; R291-Y338 HydrophobicContact CG-CE2 3.73Å; R291-Y338 HydrophobicContact CG-CG 4.5Å
292R94.1Very high93.8Very high75 Ų7532.6 Ų32.628%0.28317%0.169SC..Hα-helixtrans-62.2-58-178.9-72.9-176.1160148.6-6111.4N288 F289 V294 D295 D296 E357N288-R292 PolarHBondContact O-N 2.9Å; N288-R292 VanDerWaalsContact O-N 3.11Å; N288-R292 PolarHBondContact OD1-NH1 2.84Å; F289-R292 PolarHBondContact O-N 2.75Å; F289-R292 VanDerWaalsContact O-N 3.16Å; R292-V294 PolarHBondContact O-N 3.49Å; R292-V294 VanDerWaalsContact O-N 3.12Å; R292-D295 PolarHBondContact O-N 3.05Å; R292-D296 VanDerWaalsContact O-CG 3.31Å; R292-D296 PolarHBondContact O-N 3.17Å; R292-D296 VanDerWaalsContact O-OD2 3.14Å; R292-E357 IonicContact CZ-OE1 3.92Å; R292-E357 IonicContact NE-OE1 3.21Å; R292-E357 IonicContact NH2-OE1 3.63Å; R292-E357 PolarHBondContact NH2-OE1 2.93Å
293V95.5Very high94Very high1 Ų133.8 Ų33.81%0.00618%0.176CC..Hα-helixtrans-61.8-28.7-177.2-55.80000113.6F289 T297 L315 L375 L382F289-V293 HydrophobicContact CD2-CG1 4.4Å; F289-V293 HydrophobicContact CE1-CG1 4.26Å; F289-V293 HydrophobicContact CE1-CG2 4.27Å; F289-V293 HydrophobicContact CE2-CG1 3.97Å; F289-V293 HydrophobicContact CZ-CG1 3.89Å; F289-V293 PolarHBondContact O-N 3.38Å; F289-V293 VanDerWaalsContact O-N 3.08Å; V293-T297 WeakPolarHBondContact O-CB 3.27Å; V293-T297 WeakPolarHBondContact O-CG2 3.39Å; V293-T297 PolarHBondContact O-N 2.97Å; V293-T297 PolarHBondContact O-OG1 3.48Å; V293-L315 HydrophobicContact CB-CD2 4.02Å; V293-L315 HydrophobicContact CG2-CD2 3.91Å; V293-L375 HydrophobicContact CG1-CD2 3.94Å; V293-L382 HydrophobicContact CB-CD1 3.89Å; V293-L382 HydrophobicContact CG1-CD1 3.91Å; V293-L382 HydrophobicContact CG1-CD2 4.16Å
294V95.6Very high94.2Very high0 Ų033.1 Ų33.10%017%0.171CC..Hα-helixtrans-75.6-43.2173.7167.60000111.8V290 R292 D296 T297 L298 L315 I335 Y338 L339V290-V294 HydrophobicContact CG1-CG2 4.21Å; V290-V294 VanDerWaalsContact O-CB 3.29Å; V290-V294 WeakPolarHBondContact O-CB 3.45Å; V290-V294 WeakPolarHBondContact O-CG2 3.21Å; V290-V294 PolarHBondContact O-N 2.87Å; R292-V294 PolarHBondContact O-N 3.49Å; R292-V294 VanDerWaalsContact O-N 3.12Å; V294-D296 VanDerWaalsContact C-N 3.25Å; V294-D296 PolarHBondContact O-N 3.49Å; V294-T297 PolarHBondContact O-N 3.27Å; V294-L298 HydrophobicContact CG1-CB 4.35Å; V294-L298 HydrophobicContact CG1-CD1 4.2Å; V294-L298 HydrophobicContact CG2-CD1 4.47Å; V294-L298 PolarHBondContact O-N 3.22Å; V294-L315 HydrophobicContact CG2-CD1 4.23Å; V294-I335 HydrophobicContact CG2-CG1 4.21Å; V294-I335 HydrophobicContact CG2-CG2 4.09Å; V294-Y338 HydrophobicContact CB-CD1 3.81Å; V294-Y338 HydrophobicContact CB-CE1 3.91Å; V294-Y338 HydrophobicContact CG1-CD1 3.61Å; V294-Y338 HydrophobicContact CG1-CE1 3.76Å; V294-Y338 HydrophobicContact CG2-CD1 4.31Å; V294-L339 HydrophobicContact CG1-CD2 3.82Å; V294-L339 HydrophobicContact CG1-CG 4.29Å
295D92.5Very high94.4Very high54 Ų5436.6 Ų36.629%0.28919%0.192SC..Hα-helixtrans-65.3-29.5178-8022.8000112.5R291 R292 R300 Y338R291-D295 WeakPolarHBondContact O-CB 3.28Å; R291-D295 PolarHBondContact O-N 3.08Å; R292-D295 PolarHBondContact O-N 3.05Å; D295-R300 WeakPolarHBondContact OD1-CD 3.19Å; D295-R300 IonicContact OD1-NH1 3.85Å; D295-R300 IonicContact OD2-CZ 2.64Å; D295-R300 IonicContact OD2-NH1 2.98Å; D295-R300 PolarHBondContact OD2-NH1 3.3Å; D295-Y338 VanDerWaalsContact CG-OH 3.22Å; D295-Y338 WeakPolarHBondContact OD1-CE1 3.45Å; D295-Y338 VanDerWaalsContact OD1-CZ 3.24Å; D295-Y338 PolarHBondContact OD1-OH 3.03Å; D295-Y338 PolarHBondContact OD2-OH 3.36Å
296D92.1Very high94.3Very high87 Ų8742.7 Ų42.747%0.46522%0.221SC..THydrogen-bonded Turntrans-80.5-19179.3-68.9-36.6000114.4R292 V294R292-D296 VanDerWaalsContact O-CG 3.31Å; R292-D296 PolarHBondContact O-N 3.17Å; R292-D296 VanDerWaalsContact O-OD2 3.14Å; V294-D296 VanDerWaalsContact C-N 3.25Å; V294-D296 PolarHBondContact O-N 3.49Å
297T93.7Very high94.3Very high10 Ų1043.1 Ų43.16%0.06122%0.222CC..THydrogen-bonded Turntrans-132.2-18-166.566.20000117V293 V294 L382 L385 S389V293-T297 WeakPolarHBondContact O-CB 3.27Å; V293-T297 WeakPolarHBondContact O-CG2 3.39Å; V293-T297 PolarHBondContact O-N 2.97Å; V293-T297 PolarHBondContact O-OG1 3.48Å; V294-T297 PolarHBondContact O-N 3.27Å; T297-L382 HydrophobicContact CG2-CD1 3.67Å; T297-L385 HydrophobicContact CG2-CD2 3.97Å; T297-L385 HydrophobicContact CG2-CG 4.06Å; T297-S389 WeakPolarHBondContact O-CB 2.94Å; T297-S389 PolarHBondContact O-OG 3.26Å
298L95.2Very high94.3Very high16 Ų1644.2 Ų44.28%0.08423%0.231CC..SBendtrans-123.6155.3-177.6-60-173.6000112.9V294 R300 Q307 A311 I312 L315 I335 L339V294-L298 HydrophobicContact CG1-CB 4.35Å; V294-L298 HydrophobicContact CG1-CD1 4.2Å; V294-L298 HydrophobicContact CG2-CD1 4.47Å; V294-L298 PolarHBondContact O-N 3.22Å; L298-R300 PolarHBondContact O-N 3.36Å; L298-Q307 HydrophobicContact CD1-CG 4.48Å; L298-A311 HydrophobicContact CD2-CB 3.9Å; L298-I312 HydrophobicContact CD1-CD1 3.69Å; L298-I312 HydrophobicContact CD2-CD1 4.38Å; L298-L315 HydrophobicContact CD1-CD1 3.6Å; L298-L315 HydrophobicContact CD2-CD1 4.04Å; L298-L315 HydrophobicContact CG-CD1 3.68Å; L298-I335 HydrophobicContact CD1-CG2 4.18Å; L298-L339 HydrophobicContact CD1-CD1 4.01Å
299D93.3Very high94.2Very high72 Ų7253.7 Ų53.739%0.38527%0.266SS..  trans-77.6114.6171-174.2-17.3000110.9T301 V302 Q307D299-T301 VanDerWaalsContact CG-OG1 3.22Å; D299-T301 PolarHBondContact O-N 3.08Å; D299-T301 WeakPolarHBondContact OD1-CA 3.49Å; D299-T301 VanDerWaalsContact OD1-CB 3.3Å; D299-T301 WeakPolarHBondContact OD1-CB 3.29Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.49Å; D299-T301 PolarHBondContact OD1-N 3.3Å; D299-T301 PolarHBondContact OD1-OG1 3.13Å; D299-T301 PolarHBondContact OD2-OG1 3.37Å; D299-T301 VanDerWaalsContact OD2-OG1 3.1Å; D299-V302 HydrophobicContact CB-CB 4.13Å; D299-V302 HydrophobicContact CB-CG2 3.97Å; D299-V302 PolarHBondContact O-N 2.76Å; D299-V302 WeakPolarHBondContact OD2-CG2 3.43Å; D299-Q307 PolarHBondContact O-NE2 2.8Å
300R93.1Very high94.1Very high55 Ų5557.7 Ų57.721%0.20829%0.285CS..THydrogen-bonded Turntrans-68.6-11.1-179.1-51.7-176.5-60.5175.9-2.2114D295 L298 C342 R343 I353D295-R300 WeakPolarHBondContact OD1-CD 3.19Å; D295-R300 IonicContact OD1-NH1 3.85Å; D295-R300 IonicContact OD2-CZ 2.64Å; D295-R300 IonicContact OD2-NH1 2.98Å; D295-R300 PolarHBondContact OD2-NH1 3.3Å; L298-R300 PolarHBondContact O-N 3.36Å; R300-C342 HydrophobicContact CB-CB 4.13Å; R300-R343 WeakPolarHBondContact O-CG 3.24Å; R300-I353 HydrophobicContact CB-CD1 4.37Å
301T90.6Very high94Very high70 Ų7057.7 Ų57.743%0.42929%0.285SS..THydrogen-bonded Turntrans-89.4-29.4176.3750000113.3D299 R343 I353D299-T301 VanDerWaalsContact CG-OG1 3.22Å; D299-T301 PolarHBondContact O-N 3.08Å; D299-T301 WeakPolarHBondContact OD1-CA 3.49Å; D299-T301 VanDerWaalsContact OD1-CB 3.3Å; D299-T301 WeakPolarHBondContact OD1-CB 3.29Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.49Å; D299-T301 PolarHBondContact OD1-N 3.3Å; D299-T301 PolarHBondContact OD1-OG1 3.13Å; D299-T301 PolarHBondContact OD2-OG1 3.37Å; D299-T301 VanDerWaalsContact OD2-OG1 3.1Å; T301-R343 WeakPolarHBondContact O-CD 3.3Å; T301-R343 VanDerWaalsContact O-CG 3.22Å; T301-R343 WeakPolarHBondContact O-CG 3.48Å; T301-I353 HydrophobicContact CG2-CD1 4.05Å; T301-I353 HydrophobicContact CG2-CG2 3.94Å
302V92.6Very high94.1Very high39 Ų3953.9 Ų53.924%0.23627%0.271CS..SBendtrans-84.8147.5-171.7170.10000111.7D299 E306 Q307 R343D299-V302 HydrophobicContact CB-CB 4.13Å; D299-V302 HydrophobicContact CB-CG2 3.97Å; D299-V302 PolarHBondContact O-N 2.76Å; D299-V302 WeakPolarHBondContact OD2-CG2 3.43Å; V302-E306 HydrophobicContact CG1-CB 3.4Å; V302-Q307 PolarHBondContact O-NE2 2.83Å; V302-Q307 VanDerWaalsContact O-NE2 3.14Å; V302-R343 WeakPolarHBondContact O-CD 3.47Å
303T94.9Very high94.1Very high43 Ų4353.6 Ų53.626%0.26428%0.278SS..  trans-73.6153.9-179.282.40000112C305 E306 Q307 R343T303-C305 PolarHBondContact O-N 3.08Å; T303-E306 WeakPolarHBondContact CA-OE2 2.98Å; T303-E306 WeakPolarHBondContact CB-OE2 3.09Å; T303-E306 WeakPolarHBondContact CG2-OE2 3.44Å; T303-E306 PolarHBondContact N-OE2 2.93Å; T303-E306 PolarHBondContact O-N 3.31Å; T303-E306 WeakPolarHBondContact OG1-CG 3.34Å; T303-E306 PolarHBondContact OG1-OE2 2.72Å; T303-Q307 WeakPolarHBondContact O-CG 3.44Å; T303-Q307 PolarHBondContact O-N 3.13Å; T303-R343 VanDerWaalsContact CB-NH1 3.27Å
304F95.9Very high94.1Very high18 Ų1855 Ų558%0.07929%0.289CS..THydrogen-bonded Turntrans-53.5-26.3178.5-179.5-86.8000114.1I312 R332 I335 R336 L339F304-I312 HydrophobicContact CD2-CD1 4.23Å; F304-I312 HydrophobicContact CE2-CD1 3.99Å; F304-I312 HydrophobicContact CE2-CG2 3.98Å; F304-I312 HydrophobicContact CZ-CG2 3.72Å; F304-R332 HydrophobicContact CZ-CG 3.93Å; F304-I335 HydrophobicContact CD2-CG2 4.26Å; F304-I335 HydrophobicContact CE2-CB 4.42Å; F304-I335 HydrophobicContact CE2-CG2 4.07Å; F304-R336 HydrophobicContact CB-CB 4.42Å; F304-R336 HydrophobicContact CB-CG 4.01Å; F304-R336 HydrophobicContact CD1-CG 4.34Å; F304-R336 HydrophobicContact CD2-CB 3.65Å; F304-R336 HydrophobicContact CD2-CG 4.14Å; F304-R336 HydrophobicContact CE2-CB 4.03Å; F304-R336 HydrophobicContact CG-CB 3.94Å; F304-R336 HydrophobicContact CG-CG 3.89Å; F304-L339 HydrophobicContact CB-CD1 4.46Å; F304-L339 HydrophobicContact CD2-CD1 4.31Å
305C95.5Very high94.1Very high107 Ų10755 Ų5572%0.72329%0.289SS*.THydrogen-bonded Turntrans-85.1-18.3-179.5-58.30000113.5T303T303-C305 PolarHBondContact O-N 3.08Å
306E94.1Very high94.2Very high128 Ų12853.4 Ų53.460%0.59828%0.28SS*.THydrogen-bonded Turntrans-99-13.1-179.8-66.3150.8170.500112.1V302 T303V302-E306 HydrophobicContact CG1-CB 3.4Å; T303-E306 WeakPolarHBondContact CA-OE2 2.98Å; T303-E306 WeakPolarHBondContact CB-OE2 3.09Å; T303-E306 WeakPolarHBondContact CG2-OE2 3.44Å; T303-E306 PolarHBondContact N-OE2 2.93Å; T303-E306 PolarHBondContact O-N 3.31Å; T303-E306 WeakPolarHBondContact OG1-CG 3.34Å; T303-E306 PolarHBondContact OG1-OE2 2.72Å
307Q94.5Very high94.3Very high8 Ų853.9 Ų53.94%0.03728%0.282CS..SBendtrans-60.1146.2172.5-61.2-65.6-27.900110.8L298 D299 V302 T303 R309 I312 L339L298-Q307 HydrophobicContact CD1-CG 4.48Å; D299-Q307 PolarHBondContact O-NE2 2.8Å; V302-Q307 PolarHBondContact O-NE2 2.83Å; V302-Q307 VanDerWaalsContact O-NE2 3.14Å; T303-Q307 WeakPolarHBondContact O-CG 3.44Å; T303-Q307 PolarHBondContact O-N 3.13Å; Q307-R309 PolarHBondContact O-N 3.36Å; Q307-R309 VanDerWaalsContact O-N 3.15Å; Q307-I312 HydrophobicContact CB-CD1 3.77Å; Q307-I312 HydrophobicContact CB-CG1 3.72Å; Q307-I312 HydrophobicContact CG-CD1 4.05Å; Q307-L339 HydrophobicContact CG-CD1 3.96Å
308P95.1Very high94.4Very high53 Ų5353.5 Ų53.534%0.34428%0.28SS..  trans-56.9121.4175.9-22.832.7000111.2H310 A311 I312P308-H310 VanDerWaalsContact C-N 3.29Å; P308-H310 VanDerWaalsContact CB-CE1 3.4Å; P308-H310 WeakPolarHBondContact CB-CE1 3.23Å; P308-H310 PolarHBondContact O-N 3.19Å; P308-A311 HydrophobicContact CB-CB 4.17Å; P308-A311 WeakPolarHBondContact O-CB 3.15Å; P308-A311 PolarHBondContact O-N 3.5Å; P308-I312 PolarHBondContact O-N 3.49Å
309R93.1Very high94.5Very high207 Ų20752.7 Ų52.778%0.78128%0.276SS*.Hα-helixtrans-57.6-39.9-170.1-68.2-179.5-179.3-103.4-1.7113.2Q307 A311 I312 T313Q307-R309 PolarHBondContact O-N 3.36Å; Q307-R309 VanDerWaalsContact O-N 3.15Å; R309-A311 VanDerWaalsContact C-N 3.32Å; R309-A311 PolarHBondContact O-N 3.18Å; R309-I312 PolarHBondContact O-N 3.28Å; R309-T313 PolarHBondContact O-N 2.82Å; R309-T313 PolarHBondContact O-OG1 2.83Å
310H94Very high94.5Very high84 Ų8451.3 Ų51.339%0.38927%0.27SS..Hα-helixtrans-64.8-34.4177.164.2-87.9000112.3P308 T313 A314 Q392P308-H310 VanDerWaalsContact C-N 3.29Å; P308-H310 VanDerWaalsContact CB-CE1 3.4Å; P308-H310 WeakPolarHBondContact CB-CE1 3.23Å; P308-H310 PolarHBondContact O-N 3.19Å; H310-T313 PolarHBondContact O-N 2.97Å; H310-A314 VanDerWaalsContact O-CB 3.22Å; H310-A314 WeakPolarHBondContact O-CB 3.24Å; H310-A314 PolarHBondContact O-N 3.36Å; H310-Q392 PolarHBondContact CE1-NE2 3.47Å; H310-Q392 PolarHBondContact CE1-OE1 3.34Å; H310-Q392 PolarHBondContact NE2-NE2 2.95Å; H310-Q392 PolarHBondContact NE2-OE1 3.11Å
311A94.9Very high94.6Very high0 Ų054 Ų540%028%0.28CS..Hα-helixtrans-70.4-38.1177.200000111.7L298 P308 R309 L315 L385L298-A311 HydrophobicContact CD2-CB 3.9Å; P308-A311 HydrophobicContact CB-CB 4.17Å; P308-A311 WeakPolarHBondContact O-CB 3.15Å; P308-A311 PolarHBondContact O-N 3.5Å; R309-A311 VanDerWaalsContact C-N 3.32Å; R309-A311 PolarHBondContact O-N 3.18Å; A311-L315 WeakPolarHBondContact O-CG 3.44Å; A311-L315 PolarHBondContact O-N 3.42Å; A311-L385 HydrophobicContact CB-CD1 3.85Å
312I95.1Very high94.8Very high5 Ų551.3 Ų51.33%0.02627%0.265CS..Hα-helixtrans-62.1-48.5171.4-65.2-60.8000111.2L298 F304 Q307 P308 R309 L315 E316 I335L298-I312 HydrophobicContact CD1-CD1 3.69Å; L298-I312 HydrophobicContact CD2-CD1 4.38Å; F304-I312 HydrophobicContact CD2-CD1 4.23Å; F304-I312 HydrophobicContact CE2-CD1 3.99Å; F304-I312 HydrophobicContact CE2-CG2 3.98Å; F304-I312 HydrophobicContact CZ-CG2 3.72Å; Q307-I312 HydrophobicContact CB-CD1 3.77Å; Q307-I312 HydrophobicContact CB-CG1 3.72Å; Q307-I312 HydrophobicContact CG-CD1 4.05Å; P308-I312 PolarHBondContact O-N 3.49Å; R309-I312 PolarHBondContact O-N 3.28Å; I312-L315 PolarHBondContact O-N 3.09Å; I312-E316 WeakPolarHBondContact O-CG 3.22Å; I312-E316 PolarHBondContact O-N 3.44Å; I312-I335 HydrophobicContact CD1-CG2 4.26Å
313T94.8Very high94.8Very high69 Ų6949.8 Ų49.842%0.42326%0.255SS..Hα-helixtrans-67.2-36.5179.3-62.70000112.4R309 H310 E316 N317R309-T313 PolarHBondContact O-N 2.82Å; R309-T313 PolarHBondContact O-OG1 2.83Å; H310-T313 PolarHBondContact O-N 2.97Å; T313-E316 PolarHBondContact O-N 2.68Å; T313-N317 VanDerWaalsContact O-CG 3.32Å; T313-N317 PolarHBondContact O-N 3.31Å
314A95.2Very high94.6Very high30 Ų3052.6 Ų52.625%0.24827%0.274CS..Hα-helixtrans-62-43.2172.300000111.7H310 N317 I318 L385H310-A314 VanDerWaalsContact O-CB 3.22Å; H310-A314 WeakPolarHBondContact O-CB 3.24Å; H310-A314 PolarHBondContact O-N 3.36Å; A314-N317 PolarHBondContact O-N 3.07Å; A314-I318 WeakPolarHBondContact O-CB 3.38Å; A314-I318 VanDerWaalsContact O-CG1 3.26Å; A314-I318 WeakPolarHBondContact O-CG1 3.26Å; A314-I318 PolarHBondContact O-N 3.47Å; A314-L385 HydrophobicContact CB-CD1 3.97Å; A314-L385 HydrophobicContact CB-CD2 3.99Å; A314-L385 HydrophobicContact CB-CG 4.46Å
315L95.2Very high94.2Very high0 Ų057.6 Ų57.60%030%0.298CS..Hα-helixtrans-65.7-36.3173.8-76.9175.1000113.5V293 V294 L298 A311 I312 N317 I318 C319 I335 L385V293-L315 HydrophobicContact CB-CD2 4.02Å; V293-L315 HydrophobicContact CG2-CD2 3.91Å; V294-L315 HydrophobicContact CG2-CD1 4.23Å; L298-L315 HydrophobicContact CD1-CD1 3.6Å; L298-L315 HydrophobicContact CD2-CD1 4.04Å; L298-L315 HydrophobicContact CG-CD1 3.68Å; A311-L315 WeakPolarHBondContact O-CG 3.44Å; A311-L315 PolarHBondContact O-N 3.42Å; I312-L315 PolarHBondContact O-N 3.09Å; L315-N317 VanDerWaalsContact C-N 3.33Å; L315-I318 HydrophobicContact CD2-CD1 4.45Å; L315-I318 PolarHBondContact O-N 3.46Å; L315-C319 WeakPolarHBondContact O-CB 3.47Å; L315-C319 PolarHBondContact O-N 3.36Å; L315-C319 PolarHBondContact O-SG 2.94Å; L315-I335 HydrophobicContact CB-CD1 3.92Å; L315-L385 HydrophobicContact CD2-CD2 3.83Å; L315-L385 HydrophobicContact CG-CD2 3.76Å
316E95.2Very high93.8Very high20 Ų2053.2 Ų53.29%0.09327%0.267CS..Hα-helixtrans-62.2-42.3174.4-74166.8169.900110.6I312 T313 T320 R332 I335I312-E316 WeakPolarHBondContact O-CG 3.22Å; I312-E316 PolarHBondContact O-N 3.44Å; T313-E316 PolarHBondContact O-N 2.68Å; E316-T320 WeakPolarHBondContact O-CB 3.38Å; E316-T320 PolarHBondContact O-N 3.44Å; E316-T320 PolarHBondContact O-OG1 3.47Å; E316-R332 HydrophobicContact CG-CB 4.44Å; E316-R332 WeakPolarHBondContact OE1-CA 3.34Å; E316-R332 WeakPolarHBondContact OE1-CB 3.37Å; E316-R332 WeakPolarHBondContact OE1-CD 3.1Å; E316-R332 WeakPolarHBondContact OE1-CG 3.26Å; E316-R332 IonicContact OE1-CZ 3.68Å; E316-R332 IonicContact OE1-NE 3.88Å; E316-R332 IonicContact OE1-NH1 3.98Å; E316-R332 PolarHBondContact OE1-NH1 3.38Å; E316-R332 IonicContact OE2-NH1 2.69Å; E316-R332 PolarHBondContact OE2-NH1 2.92Å; E316-I335 HydrophobicContact CG-CD1 4.29Å
317N95.3Very high93.4Very high97 Ų9750.2 Ų50.252%0.51925%0.253SS..Hα-helixtrans-66.9-45.3173.9-66.8-11.1000112.7T313 A314 L315 C319 T320 R321T313-N317 VanDerWaalsContact O-CG 3.32Å; T313-N317 PolarHBondContact O-N 3.31Å; A314-N317 PolarHBondContact O-N 3.07Å; L315-N317 VanDerWaalsContact C-N 3.33Å; N317-C319 VanDerWaalsContact C-N 3.34Å; N317-C319 PolarHBondContact O-N 2.99Å; N317-T320 PolarHBondContact O-N 3.22Å; N317-R321 PolarHBondContact O-N 3.46Å
318I95.8Very high92.8Very high2 Ų253.7 Ų53.71%0.0128%0.275CS..Hα-helixtrans-58-45.4176-76.2165.1000110.8F289 A314 L315 R321 A322 V378 D381 L385F289-I318 HydrophobicContact CZ-CG2 4.1Å; A314-I318 WeakPolarHBondContact O-CB 3.38Å; A314-I318 VanDerWaalsContact O-CG1 3.26Å; A314-I318 WeakPolarHBondContact O-CG1 3.26Å; A314-I318 PolarHBondContact O-N 3.47Å; L315-I318 HydrophobicContact CD2-CD1 4.45Å; L315-I318 PolarHBondContact O-N 3.46Å; I318-R321 PolarHBondContact O-N 2.8Å; I318-A322 VanDerWaalsContact O-CB 3.31Å; I318-A322 WeakPolarHBondContact O-CB 3.16Å; I318-A322 PolarHBondContact O-N 2.87Å; I318-V378 HydrophobicContact CG2-CB 3.98Å; I318-V378 HydrophobicContact CG2-CG1 4.12Å; I318-V378 HydrophobicContact CG2-CG2 3.89Å; I318-D381 HydrophobicContact CD1-CB 3.94Å; I318-D381 HydrophobicContact CG1-CB 3.73Å; I318-L385 HydrophobicContact CD1-CB 4.47Å; I318-L385 HydrophobicContact CD1-CD2 3.94Å
319C96.1Very high92.2Very high0 Ų058 Ų580%029%0.288CS..Hα-helixtrans-63.8-42176.5-67.50000111.8L315 N317 R321 A322 W323 H331L315-C319 WeakPolarHBondContact O-CB 3.47Å; L315-C319 PolarHBondContact O-N 3.36Å; L315-C319 PolarHBondContact O-SG 2.94Å; N317-C319 VanDerWaalsContact C-N 3.34Å; N317-C319 PolarHBondContact O-N 2.99Å; C319-R321 VanDerWaalsContact C-N 3.32Å; C319-R321 PolarHBondContact O-N 3.03Å; C319-A322 PolarHBondContact O-N 3.3Å; C319-W323 PolarHBondContact O-N 3.31Å; C319-H331 HydrophobicContact CB-CB 3.85Å; C319-H331 VanDerWaalsContact CB-CG 3.42Å
320T94.5Very high92.1Very high43 Ų4350.4 Ų50.426%0.26426%0.259SS..Hα-helixtrans-62.5-39.1178.5-52.60000111.4E316 N317 W323 P324 V328 H331E316-T320 WeakPolarHBondContact O-CB 3.38Å; E316-T320 PolarHBondContact O-N 3.44Å; E316-T320 PolarHBondContact O-OG1 3.47Å; N317-T320 PolarHBondContact O-N 3.22Å; T320-W323 CarbonylContact O-C 3.54Å; T320-P324 WeakPolarHBondContact O-CA 3.49Å; T320-V328 HydrophobicContact CG2-CG2 3.94Å; T320-H331 WeakPolarHBondContact CA-NE2 2.95Å; T320-H331 PolarHBondContact N-NE2 3.43Å; T320-H331 PolarHBondContact OG1-CD2 2.99Å
321R94.2Very high92.1Very high111 Ų11146.4 Ų46.442%0.41924%0.241SC..Hα-helixtrans-76.4-35.3178.3-159.1176.176.3-143.19.7113.2N317 I318 C319 L377 D381N317-R321 PolarHBondContact O-N 3.46Å; I318-R321 PolarHBondContact O-N 2.8Å; C319-R321 VanDerWaalsContact C-N 3.32Å; C319-R321 PolarHBondContact O-N 3.03Å; R321-L377 HydrophobicContact CG-CD2 3.95Å; R321-L377 PolarHBondContact NH2-O 3.39Å; R321-L377 WeakPolarHBondContact O-CD2 3.23Å; R321-D381 IonicContact CZ-OD1 3.98Å; R321-D381 IonicContact CZ-OD2 3.11Å; R321-D381 IonicContact NH1-OD1 2.69Å; R321-D381 PolarHBondContact NH1-OD1 3.49Å; R321-D381 IonicContact NH1-OD2 2.69Å; R321-D381 PolarHBondContact NH1-OD2 3.43Å; R321-D381 IonicContact NH2-OD1 3.91Å; R321-D381 PolarHBondContact NH2-OD1 2.79Å; R321-D381 IonicContact NH2-OD2 2.95Å
322A94.4Very high92.1Very high14 Ų1451 Ų5112%0.11626%0.258CS..Hα-helixtrans-72-3217600000113.5F289 I318 C319 A374 V378F289-A322 HydrophobicContact CE1-CB 3.83Å; F289-A322 HydrophobicContact CE2-CB 3.88Å; F289-A322 HydrophobicContact CZ-CB 3.36Å; I318-A322 VanDerWaalsContact O-CB 3.31Å; I318-A322 WeakPolarHBondContact O-CB 3.16Å; I318-A322 PolarHBondContact O-N 2.87Å; C319-A322 PolarHBondContact O-N 3.3Å; A322-A374 HydrophobicContact CB-CB 4.22Å; A322-V378 HydrophobicContact CB-CG1 3.87Å
323W93.1Very high92.1Very high6 Ų654.6 Ų54.62%0.02328%0.28CS..  trans-136.666.2-175-61.588.1000111.7T282 A285 Y286 F289 C319 T320 Q325 L326 L370 A374T282-W323 HydrophobicContact CG2-CE3 4.24Å; T282-W323 HydrophobicContact CG2-CZ3 3.88Å; A285-W323 HydrophobicContact CB-CH2 3.56Å; A285-W323 HydrophobicContact CB-CZ2 4.03Å; Y286-W323 HydrophobicContact CD2-CB 4.34Å; Y286-W323 AromaticContact CD2-CD1 3.7Å; Y286-W323 HydrophobicContact CD2-CD2 4.04Å; Y286-W323 AromaticContact CD2-CG 3.76Å; Y286-W323 HydrophobicContact CD2-CG 3.76Å; Y286-W323 AromaticContact CD2-NE1 3.94Å; Y286-W323 HydrophobicContact CE2-CG 4.45Å; F289-W323 HydrophobicContact CB-CZ2 4.48Å; F289-W323 AromaticContact CD1-CD1 3.8Å; F289-W323 AromaticContact CD1-NE1 3.42Å; F289-W323 AromaticContact CE1-CD1 3.97Å; F289-W323 AromaticContact CE1-NE1 3.96Å; F289-W323 AromaticContact CG-NE1 3.47Å; C319-W323 PolarHBondContact O-N 3.31Å; T320-W323 CarbonylContact O-C 3.54Å; W323-Q325 PolarHBondContact O-N 2.74Å; W323-L326 HydrophobicContact CB-CD1 3.79Å; W323-L326 HydrophobicContact CB-CG 4.25Å; W323-L326 HydrophobicContact CG-CD1 4.25Å; W323-L326 PolarHBondContact O-N 2.83Å; W323-L326 VanDerWaalsContact O-N 3.12Å; W323-L370 HydrophobicContact CH2-CB 4.09Å; W323-L370 HydrophobicContact CH2-CD1 4.46Å; W323-A374 HydrophobicContact CZ2-CB 4.3Å
324P89.8Confident92.1Very high102 Ų10254.4 Ų54.466%0.66227%0.272SS*.THydrogen-bonded Turntrans-65-13.1-175.427.8-36.6000114.1T320 L326T320-P324 WeakPolarHBondContact O-CA 3.49Å; P324-L326 PolarHBondContact O-N 2.47Å
325Q88.2Confident92.2Very high123 Ų12353 Ų5358%0.57526%0.26SS*.THydrogen-bonded Turntrans-8212.717471.5-148.580.300114.3W323W323-Q325 PolarHBondContact O-N 2.74Å
326L87.4Confident92.2Very high15 Ų1557.6 Ų57.68%0.07928%0.278CS..SBendtrans-130.3143-178.5-67.8178.5000110.6Y286 W323 P324 V328 R330Y286-L326 HydrophobicContact CD1-CD1 4.14Å; Y286-L326 HydrophobicContact CD2-CD1 3.41Å; Y286-L326 VanDerWaalsContact CD2-CD1 3.41Å; Y286-L326 HydrophobicContact CE1-CD1 4.26Å; Y286-L326 HydrophobicContact CE2-CD1 3.57Å; Y286-L326 HydrophobicContact CG-CD1 3.69Å; W323-L326 HydrophobicContact CB-CD1 3.79Å; W323-L326 HydrophobicContact CB-CG 4.25Å; W323-L326 HydrophobicContact CG-CD1 4.25Å; W323-L326 PolarHBondContact O-N 2.83Å; W323-L326 VanDerWaalsContact O-N 3.12Å; P324-L326 PolarHBondContact O-N 2.47Å; L326-V328 PolarHBondContact O-N 3.3Å; L326-R330 VanDerWaalsContact CD2-NH1 3.34Å
327E84.5Confident92.3Very high65 Ų6559 Ų5930%0.30429%0.292SS..  trans-60.2136.8176.8-64.9-161.917200113.9M271 K329 R330 H331M271-E327 WeakPolarHBondContact CE-OE1 3.26Å; E327-K329 PolarHBondContact O-N 3.25Å; E327-R330 HydrophobicContact CB-CB 4.21Å; E327-R330 WeakPolarHBondContact O-CA 3.41Å; E327-R330 WeakPolarHBondContact O-CB 3.47Å; E327-R330 PolarHBondContact O-N 2.29Å; E327-H331 PolarHBondContact O-N 2.81Å
328V82.1Confident92.4Very high82 Ų8255.2 Ų55.250%0.49727%0.271SS..Hα-helixtrans-56.1-37.8172.9-173.40000112T320 L326 R330 H331T320-V328 HydrophobicContact CG2-CG2 3.94Å; L326-V328 PolarHBondContact O-N 3.3Å; V328-R330 PolarHBondContact O-N 3.28Å; V328-H331 PolarHBondContact O-N 3.44Å
329K83.8Confident92.4Very high144 Ų14455.1 Ų55.163%0.62627%0.27SS*.Hα-helixtrans-57.3-36.9174.4-67.1177.1-175.1166.40112E327 T333E327-K329 PolarHBondContact O-N 3.25Å; K329-T333 PolarHBondContact O-N 3.15Å; K329-T333 PolarHBondContact O-OG1 3.1Å
330R90.2Very high92.4Very high46 Ų4660.3 Ų60.317%0.17429%0.293CS..Hα-helixtrans-68.7-35.3-178.7-167.6-172.7173.5-126.30.1112.1L275 L326 E327 V328 T333 R334L275-R330 VanDerWaalsContact CD1-NE 3.35Å; L326-R330 VanDerWaalsContact CD2-NH1 3.34Å; E327-R330 HydrophobicContact CB-CB 4.21Å; E327-R330 WeakPolarHBondContact O-CA 3.41Å; E327-R330 WeakPolarHBondContact O-CB 3.47Å; E327-R330 PolarHBondContact O-N 2.29Å; V328-R330 PolarHBondContact O-N 3.28Å; R330-T333 PolarHBondContact O-N 2.84Å; R330-R334 WeakPolarHBondContact O-CB 3.43Å; R330-R334 PolarHBondContact O-N 3.05Å
331H94.6Very high92.3Very high0 Ų060 Ų600%029%0.294CS..Hα-helixtrans-59.5-52.5176.8-57.6-35.9000111.6Y286 C319 T320 E327 V328 T333 R334 I335Y286-H331 AromaticContact CE2-CE1 3.9Å; Y286-H331 AromaticContact CE2-ND1 3.56Å; Y286-H331 AromaticContact CZ-ND1 3.67Å; Y286-H331 WeakPolarHBondContact OH-CA 3.35Å; Y286-H331 PolarHBondContact OH-ND1 3.27Å; C319-H331 HydrophobicContact CB-CB 3.85Å; C319-H331 VanDerWaalsContact CB-CG 3.42Å; T320-H331 WeakPolarHBondContact CA-NE2 2.95Å; T320-H331 PolarHBondContact N-NE2 3.43Å; T320-H331 PolarHBondContact OG1-CD2 2.99Å; E327-H331 PolarHBondContact O-N 2.81Å; V328-H331 PolarHBondContact O-N 3.44Å; H331-T333 VanDerWaalsContact C-N 3.31Å; H331-T333 PolarHBondContact O-N 3.27Å; H331-R334 PolarHBondContact O-N 2.88Å; H331-R334 VanDerWaalsContact O-N 3.09Å; H331-I335 WeakPolarHBondContact O-CG1 3.07Å; H331-I335 PolarHBondContact O-N 2.97Å
332R94.3Very high92.3Very high96 Ų9654.7 Ų54.736%0.36228%0.275SS..Hα-helixtrans-53.4-46.3176.2-175.1159.8-171.388.5-10.5112.5F304 E316 R336F304-R332 HydrophobicContact CZ-CG 3.93Å; E316-R332 HydrophobicContact CG-CB 4.44Å; E316-R332 WeakPolarHBondContact OE1-CA 3.34Å; E316-R332 WeakPolarHBondContact OE1-CB 3.37Å; E316-R332 WeakPolarHBondContact OE1-CD 3.1Å; E316-R332 WeakPolarHBondContact OE1-CG 3.26Å; E316-R332 IonicContact OE1-CZ 3.68Å; E316-R332 IonicContact OE1-NE 3.88Å; E316-R332 IonicContact OE1-NH1 3.98Å; E316-R332 PolarHBondContact OE1-NH1 3.38Å; E316-R332 IonicContact OE2-NH1 2.69Å; E316-R332 PolarHBondContact OE2-NH1 2.92Å; R332-R336 WeakPolarHBondContact O-CB 3.24Å; R332-R336 PolarHBondContact O-N 3.37Å; R332-R336 VanDerWaalsContact O-N 3.14Å
333T94.9Very high92.2Very high81 Ų8156.8 Ų56.850%0.49728%0.28SS..Hα-helixtrans-67.6-39.1177.6-68.50000112.2K329 R330 H331 A337K329-T333 PolarHBondContact O-N 3.15Å; K329-T333 PolarHBondContact O-OG1 3.1Å; R330-T333 PolarHBondContact O-N 2.84Å; H331-T333 VanDerWaalsContact C-N 3.31Å; H331-T333 PolarHBondContact O-N 3.27Å; T333-A337 VanDerWaalsContact O-CB 3.28Å; T333-A337 WeakPolarHBondContact O-CB 3.32Å; T333-A337 PolarHBondContact O-N 3.34Å
334R95.4Very high92.1Very high65 Ų6564 Ų6425%0.24531%0.307CS..Hα-helixtrans-66.7-46.1178.1-174.368.2-170.6177.8-0.4112.5Y286 N287 V290 R330 H331 R336 A337 Y338Y286-R334 HydrophobicContact CE1-CB 4.14Å; Y286-R334 HydrophobicContact CE1-CG 3.76Å; N287-R334 VanDerWaalsContact CG-NH2 3.28Å; N287-R334 PolarHBondContact OD1-NE 2.98Å; N287-R334 VanDerWaalsContact OD1-NE 3.11Å; N287-R334 PolarHBondContact OD1-NH1 3.44Å; N287-R334 PolarHBondContact OD1-NH2 3.3Å; N287-R334 VanDerWaalsContact OD1-NH2 3.1Å; V290-R334 HydrophobicContact CB-CG 4.16Å; V290-R334 HydrophobicContact CG1-CG 3.79Å; V290-R334 HydrophobicContact CG2-CG 4.22Å; R330-R334 WeakPolarHBondContact O-CB 3.43Å; R330-R334 PolarHBondContact O-N 3.05Å; H331-R334 PolarHBondContact O-N 2.88Å; H331-R334 VanDerWaalsContact O-N 3.09Å; R334-R336 PolarHBondContact O-N 3.39Å; R334-A337 PolarHBondContact O-N 3.35Å; R334-Y338 PolarHBondContact O-N 3.16Å
335I96.3Very high91.9Very high1 Ų161.3 Ų61.31%0.00529%0.287CS..Hα-helixtrans-59.1-48.5176.5-65.2162.9000109.8V290 V294 L298 F304 I312 L315 E316 H331 A337 Y338 L339V290-I335 HydrophobicContact CG1-CG1 4.04Å; V294-I335 HydrophobicContact CG2-CG1 4.21Å; V294-I335 HydrophobicContact CG2-CG2 4.09Å; L298-I335 HydrophobicContact CD1-CG2 4.18Å; F304-I335 HydrophobicContact CD2-CG2 4.26Å; F304-I335 HydrophobicContact CE2-CB 4.42Å; F304-I335 HydrophobicContact CE2-CG2 4.07Å; I312-I335 HydrophobicContact CD1-CG2 4.26Å; L315-I335 HydrophobicContact CB-CD1 3.92Å; E316-I335 HydrophobicContact CG-CD1 4.29Å; H331-I335 WeakPolarHBondContact O-CG1 3.07Å; H331-I335 PolarHBondContact O-N 2.97Å; I335-A337 PolarHBondContact O-N 3.29Å; I335-Y338 PolarHBondContact O-N 3.05Å; I335-L339 HydrophobicContact CG2-CD1 4.28Å; I335-L339 PolarHBondContact O-N 3.22Å
336R96.7Very high91.4Very high97 Ų9756.4 Ų56.437%0.36627%0.266SS..Hα-helixtrans-58.2-43.5175.7-174.1-175-59.4133.23.9112.7F304 R332 R334 K340F304-R336 HydrophobicContact CB-CB 4.42Å; F304-R336 HydrophobicContact CB-CG 4.01Å; F304-R336 HydrophobicContact CD1-CG 4.34Å; F304-R336 HydrophobicContact CD2-CB 3.65Å; F304-R336 HydrophobicContact CD2-CG 4.14Å; F304-R336 HydrophobicContact CE2-CB 4.03Å; F304-R336 HydrophobicContact CG-CB 3.94Å; F304-R336 HydrophobicContact CG-CG 3.89Å; R332-R336 WeakPolarHBondContact O-CB 3.24Å; R332-R336 PolarHBondContact O-N 3.37Å; R332-R336 VanDerWaalsContact O-N 3.14Å; R334-R336 PolarHBondContact O-N 3.39Å; R336-K340 VanDerWaalsContact O-CB 3.27Å; R336-K340 WeakPolarHBondContact O-CB 3.23Å; R336-K340 PolarHBondContact O-N 3.22Å
337A96.2Very high90.9Very high48 Ų4864.5 Ų64.540%0.39730%0.301SS..Hα-helixtrans-65.4-40.8179.200000112T333 R334 I335 K340 A341T333-A337 VanDerWaalsContact O-CB 3.28Å; T333-A337 WeakPolarHBondContact O-CB 3.32Å; T333-A337 PolarHBondContact O-N 3.34Å; R334-A337 PolarHBondContact O-N 3.35Å; I335-A337 PolarHBondContact O-N 3.29Å; A337-K340 WeakPolarHBondContact O-CB 3.47Å; A337-K340 PolarHBondContact O-N 3.41Å; A337-A341 PolarHBondContact O-N 3.17Å
338Y97.3Very high90.5Very high18 Ų1868.9 Ų68.97%0.07132%0.319CS..Hα-helixtrans-67.7-49.2178.8-178.9-129.8000112.1R291 V294 D295 R334 I335 K340 A341 C342R291-Y338 HydrophobicContact CB-CE1 4.11Å; R291-Y338 HydrophobicContact CB-CE2 4.38Å; R291-Y338 HydrophobicContact CG-CD2 4.11Å; R291-Y338 HydrophobicContact CG-CE1 4.18Å; R291-Y338 HydrophobicContact CG-CE2 3.73Å; R291-Y338 HydrophobicContact CG-CG 4.5Å; V294-Y338 HydrophobicContact CB-CD1 3.81Å; V294-Y338 HydrophobicContact CB-CE1 3.91Å; V294-Y338 HydrophobicContact CG1-CD1 3.61Å; V294-Y338 HydrophobicContact CG1-CE1 3.76Å; V294-Y338 HydrophobicContact CG2-CD1 4.31Å; D295-Y338 VanDerWaalsContact CG-OH 3.22Å; D295-Y338 WeakPolarHBondContact OD1-CE1 3.45Å; D295-Y338 VanDerWaalsContact OD1-CZ 3.24Å; D295-Y338 PolarHBondContact OD1-OH 3.03Å; D295-Y338 PolarHBondContact OD2-OH 3.36Å; R334-Y338 PolarHBondContact O-N 3.16Å; I335-Y338 PolarHBondContact O-N 3.05Å; Y338-K340 PolarHBondContact O-N 3.42Å; Y338-A341 WeakPolarHBondContact O-CA 3.37Å; Y338-A341 WeakPolarHBondContact O-CB 3.47Å; Y338-A341 PolarHBondContact O-N 3.38Å; Y338-C342 VanDerWaalsContact CE2-SG 3.52Å; Y338-C342 PolarHBondContact O-N 3.38Å; Y338-C342 PolarHBondContact O-SG 2.99Å; Y338-C342 VanDerWaalsContact O-SG 3.41Å
339L96.2Very high90Very high0 Ų068.5 Ų68.50%031%0.314CS..Hα-helixtrans-58.4-32.3172.2-68.2174.5000112.4V294 L298 F304 Q307 I335 R343V294-L339 HydrophobicContact CG1-CD2 3.82Å; V294-L339 HydrophobicContact CG1-CG 4.29Å; L298-L339 HydrophobicContact CD1-CD1 4.01Å; F304-L339 HydrophobicContact CB-CD1 4.46Å; F304-L339 HydrophobicContact CD2-CD1 4.31Å; Q307-L339 HydrophobicContact CG-CD1 3.96Å; I335-L339 HydrophobicContact CG2-CD1 4.28Å; I335-L339 PolarHBondContact O-N 3.22Å; L339-R343 WeakPolarHBondContact O-CG 2.96Å; L339-R343 PolarHBondContact O-N 2.78Å; L339-R343 PolarHBondContact O-NE 2.72Å
340K95.8Very high89.1Confident110 Ų11071.7 Ų71.748%0.47833%0.328SS..Hα-helixtrans-69.3-31.5173.6-169.6176-175.9177.20112R336 A337 Y338 R344R336-K340 VanDerWaalsContact O-CB 3.27Å; R336-K340 WeakPolarHBondContact O-CB 3.23Å; R336-K340 PolarHBondContact O-N 3.22Å; A337-K340 WeakPolarHBondContact O-CB 3.47Å; A337-K340 PolarHBondContact O-N 3.41Å; Y338-K340 PolarHBondContact O-N 3.42Å; K340-R344 WeakPolarHBondContact O-CB 3.37Å; K340-R344 WeakPolarHBondContact O-CD 3.42Å; K340-R344 WeakPolarHBondContact O-CG 3.45Å; K340-R344 PolarHBondContact O-N 3.03Å
341A93.2Very high87.7Confident35 Ų3571.8 Ų71.829%0.28934%0.343SS..Hα-helixtrans-72.7-47.3173.900000112.2A337 Y338 R343 R344 N345A337-A341 PolarHBondContact O-N 3.17Å; Y338-A341 WeakPolarHBondContact O-CA 3.37Å; Y338-A341 WeakPolarHBondContact O-CB 3.47Å; Y338-A341 PolarHBondContact O-N 3.38Å; A341-R343 PolarHBondContact O-N 3.21Å; A341-R344 WeakPolarHBondContact O-CB 3.23Å; A341-R344 PolarHBondContact O-N 3.45Å; A341-R344 VanDerWaalsContact O-N 3.13Å; A341-N345 PolarHBondContact O-N 2.83Å
342C93.3Very high86Confident1 Ų177.1 Ų77.11%0.00737%0.368CS..Hα-helixtrans-56.4-49.7179.1-610000111.8R300 Y338 R344 N345 S346R300-C342 HydrophobicContact CB-CB 4.13Å; Y338-C342 VanDerWaalsContact CE2-SG 3.52Å; Y338-C342 PolarHBondContact O-N 3.38Å; Y338-C342 PolarHBondContact O-SG 2.99Å; Y338-C342 VanDerWaalsContact O-SG 3.41Å; C342-R344 PolarHBondContact O-N 2.81Å; C342-N345 PolarHBondContact O-N 2.86Å; C342-S346 PolarHBondContact O-N 3.41Å
343R93.3Very high84.4Confident57 Ų5774.5 Ų74.522%0.21536%0.361CS..Hα-helixtrans-63.5-36.2175.8-68.6175.8-68144.7-4.5113.7R300 T301 V302 T303 L339 A341 N345 K347R300-R343 WeakPolarHBondContact O-CG 3.24Å; T301-R343 WeakPolarHBondContact O-CD 3.3Å; T301-R343 VanDerWaalsContact O-CG 3.22Å; T301-R343 WeakPolarHBondContact O-CG 3.48Å; V302-R343 WeakPolarHBondContact O-CD 3.47Å; T303-R343 VanDerWaalsContact CB-NH1 3.27Å; L339-R343 WeakPolarHBondContact O-CG 2.96Å; L339-R343 PolarHBondContact O-N 2.78Å; L339-R343 PolarHBondContact O-NE 2.72Å; A341-R343 PolarHBondContact O-N 3.21Å; R343-N345 VanDerWaalsContact C-N 3.33Å; R343-K347 WeakPolarHBondContact O-CG 3.46Å; R343-K347 PolarHBondContact O-N 2.68Å
344R90.3Very high82.5Confident159 Ų15975.1 Ų75.160%0.636%0.361SS*.Hα-helixtrans-64.4-37.7174.5-85171.7165.1-175.8-8.1111.9K340 A341 C342 K348K340-R344 WeakPolarHBondContact O-CB 3.37Å; K340-R344 WeakPolarHBondContact O-CD 3.42Å; K340-R344 WeakPolarHBondContact O-CG 3.45Å; K340-R344 PolarHBondContact O-N 3.03Å; A341-R344 WeakPolarHBondContact O-CB 3.23Å; A341-R344 PolarHBondContact O-N 3.45Å; A341-R344 VanDerWaalsContact O-N 3.13Å; C342-R344 PolarHBondContact O-N 2.81Å; R344-K348 PolarHBondContact O-N 3.37Å
345N85.5Confident80.7Confident45 Ų4575.4 Ų75.424%0.24137%0.366CS..Hα-helixtrans-83.3-34.9-176.6-67.3-18.7000112.4A341 C342 R343 K347 K348 N349 M355A341-N345 PolarHBondContact O-N 2.83Å; C342-N345 PolarHBondContact O-N 2.86Å; R343-N345 VanDerWaalsContact C-N 3.33Å; N345-K347 VanDerWaalsContact C-N 3.3Å; N345-K347 PolarHBondContact O-N 2.76Å; N345-K348 WeakPolarHBondContact O-CB 3.38Å; N345-K348 PolarHBondContact O-N 3.46Å; N345-K348 VanDerWaalsContact O-N 3.09Å; N345-N349 WeakPolarHBondContact O-CB 3.48Å; N345-N349 PolarHBondContact O-N 3.25Å; N345-M355 HydrophobicContact CB-SD 3.89Å; N345-M355 PolarHBondContact ND2-SD 3.3Å
346S78.3Confident78.6Confident20 Ų2084.6 Ų84.614%0.1441%0.406CS..Hα-helixtrans-52.8-45.9166.9171.50000112.5C342 K348 N349 K350 G351C342-S346 PolarHBondContact O-N 3.41Å; S346-K348 VanDerWaalsContact C-N 3.28Å; S346-K348 PolarHBondContact O-N 2.94Å; S346-N349 CarbonylContact O-C 3.4Å; S346-N349 PolarHBondContact O-N 3.14Å; S346-N349 VanDerWaalsContact O-N 3.12Å; S346-K350 PolarHBondContact O-N 2.69Å; S346-G351 WeakPolarHBondContact O-CA 3.36Å; S346-G351 PolarHBondContact O-N 3.44Å; S346-G351 VanDerWaalsContact OG-C 3.26Å; S346-G351 WeakPolarHBondContact OG-CA 3.22Å; S346-G351 PolarHBondContact OG-O 2.89Å
347K76.1Confident76.4Confident184 Ų18485 Ų8580%0.841%0.412SS*.Hα-helixtrans-64.7-27.6178-71.2-174.1179.5-165.40113.9R343 N345R343-K347 WeakPolarHBondContact O-CG 3.46Å; R343-K347 PolarHBondContact O-N 2.68Å; N345-K347 VanDerWaalsContact C-N 3.3Å; N345-K347 PolarHBondContact O-N 2.76Å
348K76.5Confident74.3Confident158 Ų15885 Ų8569%0.68741%0.408SS*.Hα-helixtrans-77-39.6171.3-67.8176.5176.8-1770111.5R344 N345 S346 K350R344-K348 PolarHBondContact O-N 3.37Å; N345-K348 WeakPolarHBondContact O-CB 3.38Å; N345-K348 PolarHBondContact O-N 3.46Å; N345-K348 VanDerWaalsContact O-N 3.09Å; S346-K348 VanDerWaalsContact C-N 3.28Å; S346-K348 PolarHBondContact O-N 2.94Å; K348-K350 VanDerWaalsContact C-N 3.31Å; K348-K350 PolarHBondContact O-N 2.88Å
349N71.8Confident72Confident73 Ų7388.5 Ų88.539%0.3943%0.433SS..THydrogen-bonded Turntrans-94.834.5-172.1-60.2-5.5000112.7N345 S346 G351 Q352N345-N349 WeakPolarHBondContact O-CB 3.48Å; N345-N349 PolarHBondContact O-N 3.25Å; S346-N349 CarbonylContact O-C 3.4Å; S346-N349 PolarHBondContact O-N 3.14Å; S346-N349 VanDerWaalsContact O-N 3.12Å; N349-G351 VanDerWaalsContact C-N 3.25Å; N349-G351 PolarHBondContact O-N 2.81Å; N349-G351 VanDerWaalsContact O-N 3.16Å; N349-Q352 HydrophobicContact CB-CB 4.19Å; N349-Q352 VanDerWaalsContact O-CB 3.26Å; N349-Q352 WeakPolarHBondContact O-CB 3.49Å; N349-Q352 PolarHBondContact O-N 2.75Å
350K65.6Low70Confident212 Ų21290.8 Ų90.892%0.92245%0.452SS*.THydrogen-bonded Turntrans53.338174-56.7169-177.4172.30113.9S346 K348S346-K350 PolarHBondContact O-N 2.69Å; K348-K350 VanDerWaalsContact C-N 3.31Å; K348-K350 PolarHBondContact O-N 2.88Å
351G59.4Low68Low48 Ų4891.1 Ų91.150%0.49546%0.459SS..THydrogen-bonded Turntrans99.8-23-178.100000114.1S346 N349 I353S346-G351 WeakPolarHBondContact O-CA 3.36Å; S346-G351 PolarHBondContact O-N 3.44Å; S346-G351 VanDerWaalsContact OG-C 3.26Å; S346-G351 WeakPolarHBondContact OG-CA 3.22Å; S346-G351 PolarHBondContact OG-O 2.89Å; N349-G351 VanDerWaalsContact C-N 3.25Å; N349-G351 PolarHBondContact O-N 2.81Å; N349-G351 VanDerWaalsContact O-N 3.16Å; G351-I353 PolarHBondContact O-N 2.92Å
352Q59.9Low67Low111 Ų11192.4 Ų92.452%0.51948%0.475SS..  trans-70.3104.3-173.8-158.8-178.218.100111.9N349 N354N349-Q352 HydrophobicContact CB-CB 4.19Å; N349-Q352 VanDerWaalsContact O-CB 3.26Å; N349-Q352 WeakPolarHBondContact O-CB 3.49Å; N349-Q352 PolarHBondContact O-N 2.75Å; Q352-N354 HydrophobicContact CG-CB 3.84Å; Q352-N354 PolarHBondContact NE2-ND2 3.16Å; Q352-N354 PolarHBondContact O-N 2.68Å
353I59.5Low66.6Low41 Ų4193.7 Ų93.721%0.2148%0.482CS..  trans-6924.1170.650.1169.4000113.6R300 T301 G351 M355R300-I353 HydrophobicContact CB-CD1 4.37Å; T301-I353 HydrophobicContact CG2-CD1 4.05Å; T301-I353 HydrophobicContact CG2-CG2 3.94Å; G351-I353 PolarHBondContact O-N 2.92Å; I353-M355 PolarHBondContact O-N 3Å
354N56.3Low66.4Low95 Ų9593.7 Ų93.751%0.50849%0.491SS..  trans-78.277.2174.5-71.524.2000109.3Q352 K356Q352-N354 HydrophobicContact CG-CB 3.84Å; Q352-N354 PolarHBondContact NE2-ND2 3.16Å; Q352-N354 PolarHBondContact O-N 2.68Å; N354-K356 VanDerWaalsContact C-N 3.32Å; N354-K356 PolarHBondContact O-N 3.21Å; N354-K356 VanDerWaalsContact O-N 3.1Å
355M56.7Low66.4Low70 Ų7091.1 Ų91.135%0.34549%0.488SS..  trans-55.4106.4139.7-62.7-56.4-6200105.8N345 I353 E357N345-M355 HydrophobicContact CB-SD 3.89Å; N345-M355 PolarHBondContact ND2-SD 3.3Å; I353-M355 PolarHBondContact O-N 3Å; M355-E357 PolarHBondContact O-N 3.33Å
356K51.7Low66.7Low194 Ų19494 Ų9484%0.84350%0.5SS*.PPolyproline II helixtrans-54.2128.3166-176.3176.1-179.2179.20106N354N354-K356 VanDerWaalsContact C-N 3.32Å; N354-K356 PolarHBondContact O-N 3.21Å; N354-K356 VanDerWaalsContact O-N 3.1Å
357E51.5Low67.4Low107 Ų10793.1 Ų93.150%0.549%0.494SS..PPolyproline II helixtrans-50.8132.5-178.8-169.9-179.9175.500108.2R292 M355R292-E357 IonicContact CZ-OE1 3.92Å; R292-E357 IonicContact NE-OE1 3.21Å; R292-E357 IonicContact NH2-OE1 3.63Å; R292-E357 PolarHBondContact NH2-OE1 2.93Å; M355-E357 PolarHBondContact O-N 3.33Å
358P52.2Low68.2Low48 Ų4888.5 Ų88.531%0.31247%0.471SS..PPolyproline II helixtrans-53.5120.7173-21.432000107A360P358-A360 PolarHBondContact O-N 3.14Å
359P49.5Very low69.1Low90 Ų9086.5 Ų86.558%0.58446%0.464SS*.PPolyproline II helixtrans-53.7132.5-172.921.2-32.7000108.6N361 G362P359-N361 PolarHBondContact O-N 2.84Å; P359-G362 WeakPolarHBondContact O-CA 3.24Å; P359-G362 PolarHBondContact O-N 2.89Å
360A52.9Low70.2Confident48 Ų4885.6 Ų85.640%0.39746%0.459SS..G310 helixtrans-57.9-26-173.100000112.4P358 G362 R368P358-A360 PolarHBondContact O-N 3.14Å; A360-G362 VanDerWaalsContact C-N 3.32Å; A360-R368 PolarHBondContact O-NH1 3.37Å
361N54.3Low71.6Confident117 Ų11775.6 Ų75.663%0.62642%0.416SS*.G310 helixtrans-68.2-21.5173.6-46.570.3000113.8P359 L363P359-N361 PolarHBondContact O-N 2.84Å; N361-L363 PolarHBondContact O-N 2.6Å; N361-L363 VanDerWaalsContact O-N 3.14Å
362G72.2Confident73.3Confident62 Ų6276.6 Ų76.664%0.63942%0.415SS*.G310 helixtrans-8021.9-179.900000115.1P359 A360P359-G362 WeakPolarHBondContact O-CA 3.24Å; P359-G362 PolarHBondContact O-N 2.89Å; A360-G362 VanDerWaalsContact C-N 3.32Å
363L84.3Confident74.9Confident28 Ų2878.7 Ų78.715%0.14742%0.423CS..SBendtrans-128.4153.9169.4-72.6173.2000107.7A284 N288 N361 A367 R368A284-L363 HydrophobicContact CB-CD2 4.07Å; N288-L363 HydrophobicContact CB-CD1 3.84Å; N361-L363 PolarHBondContact O-N 2.6Å; N361-L363 VanDerWaalsContact O-N 3.14Å; L363-A367 HydrophobicContact CB-CB 4.2Å; L363-A367 HydrophobicContact CD2-CB 4.22Å; L363-R368 HydrophobicContact CB-CG 4.06Å; L363-R368 HydrophobicContact CD1-CG 4.26Å; L363-R368 PolarHBondContact O-NH1 3.41Å
364S90.3Very high76.7Confident58 Ų5877 Ų7741%0.40642%0.415SS..  trans-64.6160.6165.767.60000110.8L281 E366 A367 R368L281-S364 WeakPolarHBondContact CD1-OG 3.33Å; S364-E366 VanDerWaalsContact C-N 3.28Å; S364-E366 PolarHBondContact O-N 3Å; S364-A367 PolarHBondContact O-N 3.16Å; S364-A367 VanDerWaalsContact OG-CB 3.27Å; S364-A367 WeakPolarHBondContact OG-CB 3.12Å; S364-A367 PolarHBondContact OG-N 3.43Å; S364-R368 PolarHBondContact O-N 3.25Å
365I90.1Very high78.5Confident105 Ų10574.4 Ų74.454%0.53840%0.401SS..Hα-helixtrans-59.3-42.6175.1-177.158.4000111.4A367 R368 Q369I365-A367 PolarHBondContact O-N 2.87Å; I365-R368 WeakPolarHBondContact O-CB 3.15Å; I365-R368 PolarHBondContact O-N 2.74Å; I365-R368 VanDerWaalsContact O-N 3.17Å; I365-Q369 WeakPolarHBondContact O-CG 3.25Å; I365-Q369 PolarHBondContact O-N 3.46Å
366E91.5Very high80.4Confident105 Ų10576 Ų7649%0.49141%0.414SS..Hα-helixtrans-62.9-40.6176.1-173.2-172.1-170.200112L281 S364 R368 Q369 L370L281-E366 HydrophobicContact CD1-CB 3.79Å; L281-E366 HydrophobicContact CD1-CG 3.82Å; L281-E366 WeakPolarHBondContact CD1-OE2 3.46Å; L281-E366 HydrophobicContact CD2-CG 3.81Å; L281-E366 VanDerWaalsContact CD2-OE1 3.26Å; L281-E366 WeakPolarHBondContact CD2-OE1 3.32Å; L281-E366 WeakPolarHBondContact CD2-OE2 3.22Å; L281-E366 HydrophobicContact CG-CG 4.37Å; S364-E366 VanDerWaalsContact C-N 3.28Å; S364-E366 PolarHBondContact O-N 3Å; E366-R368 VanDerWaalsContact C-N 3.32Å; E366-R368 PolarHBondContact O-N 3.2Å; E366-Q369 WeakPolarHBondContact O-CB 3.29Å; E366-Q369 PolarHBondContact O-N 3.49Å; E366-Q369 VanDerWaalsContact O-N 3.17Å; E366-L370 WeakPolarHBondContact O-CG 3.26Å; E366-L370 PolarHBondContact O-N 3.04Å
367A93.6Very high82.5Confident1 Ų171 Ų711%0.00840%0.397CS..Hα-helixtrans-66.3-33.8174.900000112.2L281 A285 L363 S364 I365 V371L281-A367 HydrophobicContact CD1-CB 3.91Å; A285-A367 HydrophobicContact CB-CB 4.12Å; L363-A367 HydrophobicContact CB-CB 4.2Å; L363-A367 HydrophobicContact CD2-CB 4.22Å; S364-A367 PolarHBondContact O-N 3.16Å; S364-A367 VanDerWaalsContact OG-CB 3.27Å; S364-A367 WeakPolarHBondContact OG-CB 3.12Å; S364-A367 PolarHBondContact OG-N 3.43Å; I365-A367 PolarHBondContact O-N 2.87Å; A367-V371 WeakPolarHBondContact O-CG2 3.36Å; A367-V371 PolarHBondContact O-N 3.49Å; A367-V371 VanDerWaalsContact O-N 3.11Å
368R92.6Very high84.6Confident87 Ų8766 Ų6633%0.32837%0.373SS..Hα-helixtrans-65.8-42.2170.1-72.6-171-73.5-83.9-5.8111.6A360 L363 S364 I365 E366 V371 S372A360-R368 PolarHBondContact O-NH1 3.37Å; L363-R368 HydrophobicContact CB-CG 4.06Å; L363-R368 HydrophobicContact CD1-CG 4.26Å; L363-R368 PolarHBondContact O-NH1 3.41Å; S364-R368 PolarHBondContact O-N 3.25Å; I365-R368 WeakPolarHBondContact O-CB 3.15Å; I365-R368 PolarHBondContact O-N 2.74Å; I365-R368 VanDerWaalsContact O-N 3.17Å; E366-R368 VanDerWaalsContact C-N 3.32Å; E366-R368 PolarHBondContact O-N 3.2Å; R368-V371 PolarHBondContact O-N 3.2Å; R368-S372 WeakPolarHBondContact O-CB 3.3Å; R368-S372 PolarHBondContact O-N 3.47Å
369Q94.6Very high86.6Confident117 Ų11765.6 Ų65.655%0.54737%0.374SS..Hα-helixtrans-62.9-43.6176.8-71.4167.5-18.800111.8I365 E366 V371 S372 K373I365-Q369 WeakPolarHBondContact O-CG 3.25Å; I365-Q369 PolarHBondContact O-N 3.46Å; E366-Q369 WeakPolarHBondContact O-CB 3.29Å; E366-Q369 PolarHBondContact O-N 3.49Å; E366-Q369 VanDerWaalsContact O-N 3.17Å; Q369-V371 PolarHBondContact O-N 3.47Å; Q369-S372 PolarHBondContact O-N 3.05Å; Q369-K373 WeakPolarHBondContact O-CB 3.43Å; Q369-K373 PolarHBondContact O-N 3.38Å
370L94.8Very high88.7Confident54 Ų5463.8 Ų63.828%0.28337%0.372SS..Hα-helixtrans-59.6-45173.5-73.3177.4000112.2L281 A285 W323 E366 A374L281-L370 HydrophobicContact CD2-CD1 3.71Å; L281-L370 HydrophobicContact CG-CD1 3.9Å; A285-L370 HydrophobicContact CB-CB 3.91Å; A285-L370 HydrophobicContact CB-CD1 4.19Å; W323-L370 HydrophobicContact CH2-CB 4.09Å; W323-L370 HydrophobicContact CH2-CD1 4.46Å; E366-L370 WeakPolarHBondContact O-CG 3.26Å; E366-L370 PolarHBondContact O-N 3.04Å; L370-A374 VanDerWaalsContact O-CB 3.23Å; L370-A374 WeakPolarHBondContact O-CB 3.27Å; L370-A374 PolarHBondContact O-N 3.06Å
371V95.5Very high90.7Very high2 Ų264.3 Ų64.31%0.01237%0.368CS..Hα-helixtrans-62.6-43.4175171.20000111.4A285 N288 F289 A367 R368 Q369 A374 L375A285-V371 HydrophobicContact CB-CG2 3.97Å; A285-V371 WeakPolarHBondContact O-CG2 2.95Å; N288-V371 HydrophobicContact CB-CG2 4.08Å; F289-V371 HydrophobicContact CB-CG2 4.47Å; A367-V371 WeakPolarHBondContact O-CG2 3.36Å; A367-V371 PolarHBondContact O-N 3.49Å; A367-V371 VanDerWaalsContact O-N 3.11Å; R368-V371 PolarHBondContact O-N 3.2Å; Q369-V371 PolarHBondContact O-N 3.47Å; V371-A374 PolarHBondContact O-N 3.44Å; V371-L375 HydrophobicContact CG1-CD1 3.79Å; V371-L375 HydrophobicContact CG1-CG 4.31Å; V371-L375 WeakPolarHBondContact O-CB 3.4Å; V371-L375 VanDerWaalsContact O-CG 3.31Å; V371-L375 WeakPolarHBondContact O-CG 3.24Å; V371-L375 PolarHBondContact O-N 2.64Å
372S94.5Very high92.7Very high68 Ų6859.4 Ų59.448%0.47634%0.342SS..Hα-helixtrans-61.1-50.5178.6-165.40000111.1R368 Q369 A374 L375 T376R368-S372 WeakPolarHBondContact O-CB 3.3Å; R368-S372 PolarHBondContact O-N 3.47Å; Q369-S372 PolarHBondContact O-N 3.05Å; S372-A374 VanDerWaalsContact C-N 3.34Å; S372-A374 PolarHBondContact O-N 3.28Å; S372-L375 PolarHBondContact O-N 3.1Å; S372-T376 PolarHBondContact O-N 2.64Å; S372-T376 PolarHBondContact O-OG1 2.9Å; S372-T376 VanDerWaalsContact O-OG1 3.06Å
373K95.3Very high93.7Very high155 Ų15559.4 Ų59.467%0.67433%0.327SS*.Hα-helixtrans-58.8-43.3176.9-176.4173.2-178.2175.40112.1Q369 L377Q369-K373 WeakPolarHBondContact O-CB 3.43Å; Q369-K373 PolarHBondContact O-N 3.38Å; K373-L377 WeakPolarHBondContact O-CB 3.47Å; K373-L377 PolarHBondContact O-N 3.15Å; K373-L377 VanDerWaalsContact O-N 3.1Å
374A96Very high94.2Very high7 Ų765.7 Ų65.76%0.05835%0.35CS..Hα-helixtrans-62.5-44.2176.200000112.1F289 A322 W323 L370 V371 S372 L377 V378F289-A374 HydrophobicContact CD2-CB 3.79Å; F289-A374 HydrophobicContact CE2-CB 3.93Å; A322-A374 HydrophobicContact CB-CB 4.22Å; W323-A374 HydrophobicContact CZ2-CB 4.3Å; L370-A374 VanDerWaalsContact O-CB 3.23Å; L370-A374 WeakPolarHBondContact O-CB 3.27Å; L370-A374 PolarHBondContact O-N 3.06Å; V371-A374 PolarHBondContact O-N 3.44Å; S372-A374 VanDerWaalsContact C-N 3.34Å; S372-A374 PolarHBondContact O-N 3.28Å; A374-L377 PolarHBondContact O-N 3.12Å; A374-V378 WeakPolarHBondContact O-CG2 3.21Å; A374-V378 PolarHBondContact O-N 2.9Å
375L95.6Very high94.3Very high39 Ų3963.1 Ų63.120%0.20433%0.332CS..Hα-helixtrans-65-46.1177.1-73.3169.6000112F289 V293 V371 S372 L377 V378 A379 L382F289-L375 HydrophobicContact CD2-CD2 3.97Å; F289-L375 HydrophobicContact CD2-CG 4.11Å; F289-L375 HydrophobicContact CE2-CD2 3.9Å; F289-L375 HydrophobicContact CE2-CG 4.27Å; V293-L375 HydrophobicContact CG1-CD2 3.94Å; V371-L375 HydrophobicContact CG1-CD1 3.79Å; V371-L375 HydrophobicContact CG1-CG 4.31Å; V371-L375 WeakPolarHBondContact O-CB 3.4Å; V371-L375 VanDerWaalsContact O-CG 3.31Å; V371-L375 WeakPolarHBondContact O-CG 3.24Å; V371-L375 PolarHBondContact O-N 2.64Å; S372-L375 PolarHBondContact O-N 3.1Å; L375-L377 VanDerWaalsContact C-N 3.27Å; L375-L377 PolarHBondContact O-N 2.66Å; L375-V378 CarbonylContact O-C 3.52Å; L375-V378 PolarHBondContact O-N 2.73Å; L375-V378 VanDerWaalsContact O-N 3.11Å; L375-A379 PolarHBondContact O-N 2.82Å; L375-L382 HydrophobicContact CD2-CD2 4.24Å
376T95.6Very high94.4Very high103 Ų10361.9 Ų61.963%0.63232%0.32SS*.Hα-helixtrans-57.7-40.2176.4-56.70000111.8S372 V378 A379S372-T376 PolarHBondContact O-N 2.64Å; S372-T376 PolarHBondContact O-OG1 2.9Å; S372-T376 VanDerWaalsContact O-OG1 3.06Å; T376-V378 VanDerWaalsContact C-N 3.27Å; T376-V378 PolarHBondContact O-N 2.78Å; T376-A379 PolarHBondContact O-N 3.01Å
377L95.5Very high94.2Very high91 Ų9163.1 Ų63.148%0.47633%0.326SS..Hα-helixtrans-68.9-20.1179.5-171.1146.7000113.9R321 K373 A374 L375R321-L377 HydrophobicContact CG-CD2 3.95Å; R321-L377 PolarHBondContact NH2-O 3.39Å; R321-L377 WeakPolarHBondContact O-CD2 3.23Å; K373-L377 WeakPolarHBondContact O-CB 3.47Å; K373-L377 PolarHBondContact O-N 3.15Å; K373-L377 VanDerWaalsContact O-N 3.1Å; A374-L377 PolarHBondContact O-N 3.12Å; L375-L377 VanDerWaalsContact C-N 3.27Å; L375-L377 PolarHBondContact O-N 2.66Å
378V95.3Very high93.9Very high0 Ų065 Ų650%034%0.337CS..Hα-helixtrans-115.47.5177.8-57.80000114.7F289 I318 A322 A374 L375 T376 G380 D381 L382F289-V378 HydrophobicContact CE2-CG2 3.96Å; F289-V378 HydrophobicContact CZ-CG2 4Å; I318-V378 HydrophobicContact CG2-CB 3.98Å; I318-V378 HydrophobicContact CG2-CG1 4.12Å; I318-V378 HydrophobicContact CG2-CG2 3.89Å; A322-V378 HydrophobicContact CB-CG1 3.87Å; A374-V378 WeakPolarHBondContact O-CG2 3.21Å; A374-V378 PolarHBondContact O-N 2.9Å; L375-V378 CarbonylContact O-C 3.52Å; L375-V378 PolarHBondContact O-N 2.73Å; L375-V378 VanDerWaalsContact O-N 3.11Å; T376-V378 VanDerWaalsContact C-N 3.27Å; T376-V378 PolarHBondContact O-N 2.78Å; V378-G380 PolarHBondContact O-N 3.14Å; V378-D381 PolarHBondContact O-N 3.44Å; V378-D381 VanDerWaalsContact O-N 3.15Å; V378-L382 WeakPolarHBondContact O-CB 3.26Å; V378-L382 PolarHBondContact O-N 3.23Å
379A94.7Very high93.3Very high40 Ų4061.4 Ų61.433%0.33133%0.326SS..Hα-helixtrans-52.7-49.9-172.300000112.8L375 T376 D381 L382 D383L375-A379 PolarHBondContact O-N 2.82Å; T376-A379 PolarHBondContact O-N 3.01Å; A379-D381 PolarHBondContact O-N 3.04Å; A379-L382 PolarHBondContact O-N 3.26Å; A379-D383 VanDerWaalsContact O-CB 3.3Å; A379-D383 WeakPolarHBondContact O-CB 3.32Å; A379-D383 PolarHBondContact O-N 3.17Å
380G94.1Very high92.3Very high53 Ų5361.3 Ų61.355%0.54632%0.323SS..Hα-helixtrans-60.9-40.2179.400000114.5V378 Y384V378-G380 PolarHBondContact O-N 3.14Å; G380-Y384 VanDerWaalsContact O-CB 3.32Å; G380-Y384 WeakPolarHBondContact O-CB 3.04Å; G380-Y384 PolarHBondContact O-N 2.92Å
381D95.1Very high90.7Very high59 Ų5960.2 Ų60.232%0.31633%0.325SS..Hα-helixtrans-71.5-37.9176.8-67.357.3000111.8I318 R321 V378 A379 D383 Y384 L385I318-D381 HydrophobicContact CD1-CB 3.94Å; I318-D381 HydrophobicContact CG1-CB 3.73Å; R321-D381 IonicContact CZ-OD1 3.98Å; R321-D381 IonicContact CZ-OD2 3.11Å; R321-D381 IonicContact NH1-OD1 2.69Å; R321-D381 PolarHBondContact NH1-OD1 3.49Å; R321-D381 IonicContact NH1-OD2 2.69Å; R321-D381 PolarHBondContact NH1-OD2 3.43Å; R321-D381 IonicContact NH2-OD1 3.91Å; R321-D381 PolarHBondContact NH2-OD1 2.79Å; R321-D381 IonicContact NH2-OD2 2.95Å; V378-D381 PolarHBondContact O-N 3.44Å; V378-D381 VanDerWaalsContact O-N 3.15Å; A379-D381 PolarHBondContact O-N 3.04Å; D381-D383 VanDerWaalsContact C-N 3.35Å; D381-Y384 PolarHBondContact O-N 3.17Å; D381-L385 VanDerWaalsContact O-CB 3.24Å; D381-L385 WeakPolarHBondContact O-CB 3.41Å; D381-L385 PolarHBondContact O-N 2.87Å
382L95.2Very high88.9Confident13 Ų1363.3 Ų63.37%0.06834%0.34CS..Hα-helixtrans-67.3-38.6176.3-171.766.5000110.8V293 T297 L375 V378 A379 R386V293-L382 HydrophobicContact CB-CD1 3.89Å; V293-L382 HydrophobicContact CG1-CD1 3.91Å; V293-L382 HydrophobicContact CG1-CD2 4.16Å; T297-L382 HydrophobicContact CG2-CD1 3.67Å; L375-L382 HydrophobicContact CD2-CD2 4.24Å; V378-L382 WeakPolarHBondContact O-CB 3.26Å; V378-L382 PolarHBondContact O-N 3.23Å; A379-L382 PolarHBondContact O-N 3.26Å; L382-R386 WeakPolarHBondContact O-CB 3.38Å; L382-R386 PolarHBondContact O-N 3.01Å
383D93.6Very high86.9Confident62 Ų6266.3 Ų66.333%0.33235%0.346SS..Hα-helixtrans-66.8-43.9174-72.6-9.3000111.9A379 D381 R386 Q387A379-D383 VanDerWaalsContact O-CB 3.3Å; A379-D383 WeakPolarHBondContact O-CB 3.32Å; A379-D383 PolarHBondContact O-N 3.17Å; D381-D383 VanDerWaalsContact C-N 3.35Å; D383-R386 VanDerWaalsContact CG-NH2 3.31Å; D383-R386 IonicContact OD1-CZ 3.24Å; D383-R386 IonicContact OD1-NH1 2.64Å; D383-R386 PolarHBondContact OD1-NH1 3.04Å; D383-R386 IonicContact OD1-NH2 2.68Å; D383-R386 PolarHBondContact OD1-NH2 3.42Å; D383-R386 IonicContact OD2-NH2 2.92Å; D383-Q387 VanDerWaalsContact O-CG 3.3Å; D383-Q387 WeakPolarHBondContact O-CG 3.2Å; D383-Q387 PolarHBondContact O-N 3.11Å; D383-Q387 PolarHBondContact O-NE2 3.21Å
384Y94Very high84.7Confident160 Ų16064 Ų6463%0.62734%0.34SS*.Hα-helixtrans-62-50.2174176.6-101.1000111.2G380 D381 R386 Q387 V388G380-Y384 VanDerWaalsContact O-CB 3.32Å; G380-Y384 WeakPolarHBondContact O-CB 3.04Å; G380-Y384 PolarHBondContact O-N 2.92Å; D381-Y384 PolarHBondContact O-N 3.17Å; Y384-R386 VanDerWaalsContact C-N 3.35Å; Y384-R386 PolarHBondContact O-N 2.98Å; Y384-Q387 WeakPolarHBondContact O-CB 3.16Å; Y384-Q387 PolarHBondContact O-N 2.86Å; Y384-Q387 VanDerWaalsContact O-N 3.14Å; Y384-V388 HydrophobicContact CD1-CG2 4.43Å; Y384-V388 HydrophobicContact CE1-CG2 4.03Å; Y384-V388 HydrophobicContact CE2-CG2 4.31Å; Y384-V388 WeakPolarHBondContact O-CG2 3.38Å; Y384-V388 PolarHBondContact O-N 3.24Å
385L93.8Very high82.4Confident5 Ų567.8 Ų67.83%0.02636%0.363CS..Hα-helixtrans-61.2-42.3177.7176.757.9000111.7T297 A311 A314 L315 I318 D381 Q387 V388 S389T297-L385 HydrophobicContact CG2-CD2 3.97Å; T297-L385 HydrophobicContact CG2-CG 4.06Å; A311-L385 HydrophobicContact CB-CD1 3.85Å; A314-L385 HydrophobicContact CB-CD1 3.97Å; A314-L385 HydrophobicContact CB-CD2 3.99Å; A314-L385 HydrophobicContact CB-CG 4.46Å; L315-L385 HydrophobicContact CD2-CD2 3.83Å; L315-L385 HydrophobicContact CG-CD2 3.76Å; I318-L385 HydrophobicContact CD1-CB 4.47Å; I318-L385 HydrophobicContact CD1-CD2 3.94Å; D381-L385 VanDerWaalsContact O-CB 3.24Å; D381-L385 WeakPolarHBondContact O-CB 3.41Å; D381-L385 PolarHBondContact O-N 2.87Å; L385-Q387 VanDerWaalsContact C-N 3.29Å; L385-Q387 PolarHBondContact O-N 3.32Å; L385-V388 PolarHBondContact O-N 3.06Å; L385-S389 WeakPolarHBondContact O-CB 3.38Å; L385-S389 PolarHBondContact O-N 2.78Å; L385-S389 PolarHBondContact O-OG 2.68Å
386R90.8Very high80.2Confident78 Ų7872.2 Ų72.229%0.29438%0.382SS..Hα-helixtrans-61.3-37175.6-175.7177.867.7-111.7-0.3112L382 D383 Y384 K390L382-R386 WeakPolarHBondContact O-CB 3.38Å; L382-R386 PolarHBondContact O-N 3.01Å; D383-R386 VanDerWaalsContact CG-NH2 3.31Å; D383-R386 IonicContact OD1-CZ 3.24Å; D383-R386 IonicContact OD1-NH1 2.64Å; D383-R386 PolarHBondContact OD1-NH1 3.04Å; D383-R386 IonicContact OD1-NH2 2.68Å; D383-R386 PolarHBondContact OD1-NH2 3.42Å; D383-R386 IonicContact OD2-NH2 2.92Å; Y384-R386 VanDerWaalsContact C-N 3.35Å; Y384-R386 PolarHBondContact O-N 2.98Å; R386-K390 HydrophobicContact CG-CD 4.07Å; R386-K390 VanDerWaalsContact O-CB 3.32Å; R386-K390 WeakPolarHBondContact O-CB 3.48Å; R386-K390 VanDerWaalsContact O-CG 3.24Å; R386-K390 WeakPolarHBondContact O-CG 3.47Å; R386-K390 PolarHBondContact O-N 3.2Å; R386-K390 VanDerWaalsContact O-N 3.12Å
387Q88.3Confident77.9Confident132 Ų13273 Ų7362%0.61738%0.377SS*.Hα-helixtrans-66.9-44.3173.6-74.5167.991.200111.7D383 Y384 L385 K390 G391D383-Q387 VanDerWaalsContact O-CG 3.3Å; D383-Q387 WeakPolarHBondContact O-CG 3.2Å; D383-Q387 PolarHBondContact O-N 3.11Å; D383-Q387 PolarHBondContact O-NE2 3.21Å; Y384-Q387 WeakPolarHBondContact O-CB 3.16Å; Y384-Q387 PolarHBondContact O-N 2.86Å; Y384-Q387 VanDerWaalsContact O-N 3.14Å; L385-Q387 VanDerWaalsContact C-N 3.29Å; L385-Q387 PolarHBondContact O-N 3.32Å; Q387-K390 PolarHBondContact O-N 3.26Å; Q387-G391 PolarHBondContact O-N 3.39Å
388V86.8Confident75.8Confident39 Ų3972.8 Ų72.824%0.23638%0.379CS..Hα-helixtrans-63.3-50177.2175.20000111.7Y384 L385 K390 G391 Q392Y384-V388 HydrophobicContact CD1-CG2 4.43Å; Y384-V388 HydrophobicContact CE1-CG2 4.03Å; Y384-V388 HydrophobicContact CE2-CG2 4.31Å; Y384-V388 WeakPolarHBondContact O-CG2 3.38Å; Y384-V388 PolarHBondContact O-N 3.24Å; L385-V388 PolarHBondContact O-N 3.06Å; V388-K390 VanDerWaalsContact C-N 3.29Å; V388-K390 PolarHBondContact O-N 2.88Å; V388-G391 PolarHBondContact O-N 2.92Å; V388-Q392 VanDerWaalsContact CG1-NE2 3.28Å; V388-Q392 PolarHBondContact O-N 2.95Å; V388-Q392 VanDerWaalsContact O-N 3.08Å
389S80.2Confident73.7Confident12 Ų1280 Ų808%0.08441%0.41CS..Hα-helixtrans-61.4-32.5177.9-72.10000113.2T297 L385 Q393T297-S389 WeakPolarHBondContact O-CB 2.94Å; T297-S389 PolarHBondContact O-OG 3.26Å; L385-S389 WeakPolarHBondContact O-CB 3.38Å; L385-S389 PolarHBondContact O-N 2.78Å; L385-S389 PolarHBondContact O-OG 2.68Å; S389-Q393 PolarHBondContact O-NE2 3.32Å
390K73.1Confident71.5Confident115 Ų11583.2 Ų83.250%0.542%0.422SS..Hα-helixtrans-81.2-39.8175.8-72178.6-178.6-175.50112.2R386 Q387 V388 Q392 Q393 I394R386-K390 HydrophobicContact CG-CD 4.07Å; R386-K390 VanDerWaalsContact O-CB 3.32Å; R386-K390 WeakPolarHBondContact O-CB 3.48Å; R386-K390 VanDerWaalsContact O-CG 3.24Å; R386-K390 WeakPolarHBondContact O-CG 3.47Å; R386-K390 PolarHBondContact O-N 3.2Å; R386-K390 VanDerWaalsContact O-N 3.12Å; Q387-K390 PolarHBondContact O-N 3.26Å; V388-K390 VanDerWaalsContact C-N 3.29Å; V388-K390 PolarHBondContact O-N 2.88Å; K390-Q392 PolarHBondContact O-N 3.5Å; K390-Q393 PolarHBondContact O-N 2.92Å; K390-I394 WeakPolarHBondContact O-CG1 3.43Å; K390-I394 PolarHBondContact O-N 2.9Å; K390-I394 VanDerWaalsContact O-N 3.09Å
391G62.4Low69.4Low31 Ų3185.6 Ų85.632%0.3242%0.419SS..Hα-helixtrans-59.9-43.4178.300000112.5Q387 V388 I394 T395Q387-G391 PolarHBondContact O-N 3.39Å; V388-G391 PolarHBondContact O-N 2.92Å; G391-I394 PolarHBondContact O-N 3.44Å; G391-T395 PolarHBondContact O-N 3.22Å; G391-T395 PolarHBondContact O-OG1 3.41Å
392Q56.2Low67.2Low68 Ų6885.9 Ų85.932%0.31843%0.426SS..Hα-helixtrans-62.6-46.5177.6-72.2171.318.700112.3H310 V388 K390 I394 T395 E396H310-Q392 PolarHBondContact CE1-NE2 3.47Å; H310-Q392 PolarHBondContact CE1-OE1 3.34Å; H310-Q392 PolarHBondContact NE2-NE2 2.95Å; H310-Q392 PolarHBondContact NE2-OE1 3.11Å; V388-Q392 VanDerWaalsContact CG1-NE2 3.28Å; V388-Q392 PolarHBondContact O-N 2.95Å; V388-Q392 VanDerWaalsContact O-N 3.08Å; K390-Q392 PolarHBondContact O-N 3.5Å; Q392-I394 PolarHBondContact O-N 3.37Å; Q392-T395 WeakPolarHBondContact CA-OG1 3.4Å; Q392-T395 PolarHBondContact O-N 3.25Å; Q392-T395 PolarHBondContact O-OG1 3.1Å; Q392-E396 PolarHBondContact O-N 3.4Å
393Q52.6Low65Low130 Ų13091.8 Ų91.861%0.60746%0.456SS*.Hα-helixtrans-59.6-31.1175-75175.985.300112.9S389 K390 K397S389-Q393 PolarHBondContact O-NE2 3.32Å; K390-Q393 PolarHBondContact O-N 2.92Å; Q393-K397 WeakPolarHBondContact O-CB 3.48Å; Q393-K397 PolarHBondContact O-N 3.34Å
394I50.1Low62.8Low106 Ų10697.7 Ų97.754%0.54448%0.48SS..Hα-helixtrans-71.9-46.3172.6-65.8164000110.5K390 G391 Q392 E396 K397 V398K390-I394 WeakPolarHBondContact O-CG1 3.43Å; K390-I394 PolarHBondContact O-N 2.9Å; K390-I394 VanDerWaalsContact O-N 3.09Å; G391-I394 PolarHBondContact O-N 3.44Å; Q392-I394 PolarHBondContact O-N 3.37Å; I394-E396 PolarHBondContact O-N 2.69Å; I394-K397 PolarHBondContact O-N 2.66Å; I394-V398 HydrophobicContact CG2-CG2 4.35Å; I394-V398 WeakPolarHBondContact O-CG2 3.41Å; I394-V398 PolarHBondContact O-N 2.81Å
395T48.3Very low60.3Low88 Ų8894.9 Ų94.954%0.5448%0.483SS..Hα-helixtrans-64.8-36.6-177.653.90000113.8G391 Q392 K399G391-T395 PolarHBondContact O-N 3.22Å; G391-T395 PolarHBondContact O-OG1 3.41Å; Q392-T395 WeakPolarHBondContact CA-OG1 3.4Å; Q392-T395 PolarHBondContact O-N 3.25Å; Q392-T395 PolarHBondContact O-OG1 3.1Å; T395-K399 PolarHBondContact O-N 3.03Å; T395-K399 VanDerWaalsContact O-N 3.15Å
396E49.4Very low57.7Low131 Ų13199.8 Ų99.861%0.61252%0.518SS*.Hα-helixtrans-67.6-38.9174.2-68.8-174.1163.700111.4Q392 I394 K399 N400Q392-E396 PolarHBondContact O-N 3.4Å; I394-E396 PolarHBondContact O-N 2.69Å; E396-K399 PolarHBondContact O-N 2.95Å; E396-N400 VanDerWaalsContact O-CG 3.22Å; E396-N400 PolarHBondContact O-N 2.79Å; E396-N400 VanDerWaalsContact O-N 3.15Å; E396-N400 PolarHBondContact O-ND2 2.75Å
397K45.8Very low55.1Low121 Ų121100.6 Ų100.653%0.52654%0.536SS..Hα-helixtrans-64.7-45.4178.4-152.7173.9-177.4-63.60112.1Q393 I394 K399 N400 E401Q393-K397 WeakPolarHBondContact O-CB 3.48Å; Q393-K397 PolarHBondContact O-N 3.34Å; I394-K397 PolarHBondContact O-N 2.66Å; K397-K399 VanDerWaalsContact C-N 3.35Å; K397-K399 PolarHBondContact O-N 3.47Å; K397-N400 PolarHBondContact O-N 2.87Å; K397-E401 IonicContact NZ-OE1 3.83Å; K397-E401 PolarHBondContact NZ-OE1 3.39Å; K397-E401 IonicContact NZ-OE2 2.66Å; K397-E401 WeakPolarHBondContact O-CG 3.41Å; K397-E401 PolarHBondContact O-N 3.02Å
398V51.8Low52.6Low86 Ų86103.9 Ų103.952%0.52155%0.548SS..Hα-helixtrans-60.9-42.1175.21730000111.4I394 N400 E401 S402I394-V398 HydrophobicContact CG2-CG2 4.35Å; I394-V398 WeakPolarHBondContact O-CG2 3.41Å; I394-V398 PolarHBondContact O-N 2.81Å; V398-N400 VanDerWaalsContact C-N 3.29Å; V398-N400 PolarHBondContact O-N 3.28Å; V398-E401 PolarHBondContact O-N 3.24Å; V398-S402 WeakPolarHBondContact O-CB 3.46Å; V398-S402 PolarHBondContact O-N 2.95Å; V398-S402 PolarHBondContact O-OG 2.86Å; V398-S402 VanDerWaalsContact O-OG 3.13Å
399K50.5Low50.4Low150 Ų150110.1 Ų110.165%0.65258%0.579SS**Hα-helixtrans-62.5-35.4179.1-130.5174.9-174.1177.30113.1T395 E396 K397 S402T395-K399 PolarHBondContact O-N 3.03Å; T395-K399 VanDerWaalsContact O-N 3.15Å; E396-K399 PolarHBondContact O-N 2.95Å; K397-K399 VanDerWaalsContact C-N 3.35Å; K397-K399 PolarHBondContact O-N 3.47Å; K399-S402 PolarHBondContact O-OG 2.93Å
400N48.9Very low48.3Very low109 Ų109116.5 Ų116.558%0.58361%0.612SS**Hα-helixtrans-78.5-34.5179.4-65-19000111.9E396 K397 V398E396-N400 VanDerWaalsContact O-CG 3.22Å; E396-N400 PolarHBondContact O-N 2.79Å; E396-N400 VanDerWaalsContact O-N 3.15Å; E396-N400 PolarHBondContact O-ND2 2.75Å; K397-N400 PolarHBondContact O-N 2.87Å; V398-N400 VanDerWaalsContact C-N 3.29Å; V398-N400 PolarHBondContact O-N 3.28Å
401E50.2Low46.6Very low103 Ų103119.2 Ų119.248%0.48163%0.633SS.*Hα-helixtrans-77.7-32.2177.5-72.2168.5-169.400112.5K397 V398 L403 F404 S405K397-E401 IonicContact NZ-OE1 3.83Å; K397-E401 PolarHBondContact NZ-OE1 3.39Å; K397-E401 IonicContact NZ-OE2 2.66Å; K397-E401 WeakPolarHBondContact O-CG 3.41Å; K397-E401 PolarHBondContact O-N 3.02Å; V398-E401 PolarHBondContact O-N 3.24Å; E401-L403 VanDerWaalsContact C-N 3.29Å; E401-L403 PolarHBondContact O-N 3.16Å; E401-F404 PolarHBondContact O-N 2.85Å; E401-S405 PolarHBondContact O-OG 3.1Å
402S50.3Low45.4Very low64 Ų64122.6 Ų122.645%0.44865%0.651SS.*THydrogen-bonded Turntrans-71.1-18.2176.665.80000114.6V398 K399V398-S402 WeakPolarHBondContact O-CB 3.46Å; V398-S402 PolarHBondContact O-N 2.95Å; V398-S402 PolarHBondContact O-OG 2.86Å; V398-S402 VanDerWaalsContact O-OG 3.13Å; K399-S402 PolarHBondContact O-OG 2.93Å
403L48.6Very low44.8Very low137 Ų137124.5 Ų124.572%0.71767%0.672SS**THydrogen-bonded Turntrans-89-16.6178.5-76.9169.9000113.7E401E401-L403 VanDerWaalsContact C-N 3.29Å; E401-L403 PolarHBondContact O-N 3.16Å
404F46Very low44.2Very low186 Ų186126.8 Ų126.882%0.81668%0.683SS**THydrogen-bonded Turntrans-101.1-4.9-179.4-90.6-83.6000114.8E401E401-F404 PolarHBondContact O-N 2.85Å
405S41.4Very low43.7Very low101 Ų101130.4 Ų130.471%0.70670%0.695SS**SBendtrans-103.73.6-172-54.20000114.8E401E401-S405 PolarHBondContact O-OG 3.1Å
406S39.9Very low43.1Very low108 Ų108130.6 Ų130.676%0.75570%0.699SS**  trans-107.226.2-169.2-55.80000114.5
407S35.5Very low42.5Very low96 Ų96134.1 Ų134.167%0.67171%0.708SS**SBendtrans-132.4127.7173.955.60000112.1
408K37.6Very low41.9Very low200 Ų200132.9 Ų132.987%0.8772%0.715SS**  trans82.4111-172.1-54.2169-178.7176.50116
409L40.2Very low41.2Very low171 Ų171134.6 Ų134.690%0.89573%0.726SS**  -156.3147.6109.8-103.8168.5000109.3
410D35.8Very low40.4Very low145 Ų145133 Ų13378%0.77573%0.729SS**  trans-80.5164.6-172.9-57.3-85000113.3
411N37.8Very low39.7Very low173 Ų173132.5 Ų132.593%0.92573%0.734SS**  trans-139.5125.5150.4-113-27.8000109.6
412S36.4Very low39.1Very low102 Ų102132.8 Ų132.871%0.71374%0.743SS**  trans-104.2174.7-176.659.40000112.1
413S43.3Very low38.5Very low108 Ų108136.2 Ų136.276%0.75576%0.761SS**  trans79.8140.7-171.280.20000113.5
414E40.1Very low37.9Very low177 Ų177134.1 Ų134.183%0.82776%0.758SS**  cis-146173.73.9-141.4160.4-14100114.4
415K39.9Very low37.4Very low183 Ų183134.4 Ų134.480%0.79676%0.759SS**  trans-57.8157.2178.7-57.3154.7176.1163.40110.9
416S35.7Very low37.1Very low91 Ų91141.3 Ų141.364%0.63677%0.769SS**  cis-164.7162.938-99.90000112.9
417Y36.8Very low36.9Very low205 Ų205141.3 Ų141.380%0.80477%0.77SS**  trans6.2143.4141.1-46-61000120
418S34.1Very low37.1Very low95 Ų95142.7 Ų142.766%0.66478%0.776SS**  cis-173176.92.7-108.60000113.3
419T36.1Very low36.9Very low122 Ų122137.4 Ų137.475%0.74877%0.77SS**  trans76.7105.4146.630.80000122.7
420T34.3Very low36.5Very low118 Ų118134.3 Ų134.372%0.72476%0.763SS**  63.2117.612938.40000123.3
421S34.8Very low36.5Very low98 Ų98137.8 Ų137.869%0.68577%0.766SS**  42.5145.3119.472.30000121
422T36.4Very low36.2Very low109 Ų109135.1 Ų135.167%0.66976%0.757SS**  -166.5145.550.941.10000113.7
423T37.5Very low36.3Very low135 Ų135135.6 Ų135.683%0.82876%0.76SS**  trans61.9170.7155.367.50000116.6
424S36.4Very low36.1Very low93 Ų93139.4 Ų139.465%0.6576%0.763SS**  cis-149.6155.3-1.2-148.80000112.6
425K35.4Very low36.1Very low192 Ų192139.5 Ų139.584%0.83577%0.765SS**  trans-5.4135.8156.1-51.9165.6-174.8176.80118.2
426R35.5Very low35.8Very low246 Ų246137.4 Ų137.493%0.92876%0.763SS**  17016697.7-163.1162.4-173.8175.40.4112.5
427S34.6Very low35.6Very low109 Ų109140.5 Ų140.576%0.76277%0.771SS**  trans-91.1-161-171.2-41.60000113.6
428P41.4Very low35.5Very low125 Ų125135.5 Ų135.581%0.81277%0.766SS**  -122.3-171.9-113.639.1-19.9000115.6
429A31.6Very low35.3Very low89 Ų89136.4 Ų136.474%0.73677%0.768SS**  trans118.6138.4151.500000119.3
430S31.8Very low35.2Very low106 Ų106138.6 Ų138.674%0.74177%0.774SS**  trans50103.9145.361.30000122.7
431Y35.8Very low34.9Very low217 Ų217138.2 Ų138.285%0.85177%0.771SS**  -166.5130.5113.463.3-85000107.8
432T32.3Very low34.6Very low118 Ų118139.3 Ų139.372%0.72477%0.774SS**  cis85.991.139.769.10000116.5
433S39.5Very low34.2Very low112 Ų112139.5 Ų139.578%0.78378%0.775SS**  trans-153122.3136.2-109.20000106.7
434K38.5Very low33.8Very low188 Ų188138.3 Ų138.382%0.81777%0.768SS**  60.2123.760.9-60.6-175.5176.3-1790109.9
435M39.6Very low33.4Very low178 Ų178139.9 Ų139.988%0.87777%0.774SS**  cis-150.1166.829-76.7-167-64.900111.2
436N34.3Very low33.4Very low140 Ų140136.6 Ų136.675%0.74978%0.775SS**  cis-162.9154.8-28.1-169.219.6000107.4
437L31.2Very low33.4Very low155 Ų155129.4 Ų129.481%0.81277%0.768SS**  trans-110.1125.2176.917967.3000110.1
438S34.7Very low33.4Very low100 Ų100129 Ų12970%0.69977%0.771SS**  trans-125.996178.6-63.80000111.6
439T29.9Very low32.9Very low115 Ų115127.6 Ų127.671%0.70677%0.771SS**  trans-54.2139.8158-52.50000110.3
440I33.7Very low32.9Very low168 Ų168127.1 Ų127.186%0.86277%0.766SS**  trans-151.6148150.4-107.1151.9000109.5
441T27.7Very low33Very low110 Ų110129.1 Ų129.168%0.67577%0.774SS**  trans-113160-170-42.10000110.2
442T28Very low32.8Very low120 Ų120121.8 Ų121.874%0.73677%0.765SS**  trans81.5152.5152.40.40000120.1
443T28.9Very low32.8Very low114 Ų114124.3 Ų124.370%0.69977%0.774SS**  trans73.694.7149.435.80000122.3
444T29.6Very low32.3Very low110 Ų110123.7 Ų123.768%0.67577%0.769SS**  66.8112114.856.90000123.3
445T28.3Very low32Very low125 Ų125122 Ų12277%0.76777%0.768SS**  75.8157.412563.30000122.2
446S33.5Very low31.5Very low123 Ų123118 Ų11886%0.8675%0.751SS**  trans71140.5-176.979.90000114.1
447A36.2Very low31.2Very low96 Ų96116.5 Ų116.579%0.79374%0.735SS**  cis-146.6169-3.100000109.3
448A34.9Very low31.1Very low99 Ų99114.6 Ų114.682%0.81873%0.73SS**  cis-148.4178.23.700000111.5
449A30.4Very low30.8Very low97 Ų97118 Ų11880%0.80274%0.735SS**  trans-71.3179173.800000112.2
450A32.7Very low31Very low78 Ų78120.1 Ų120.165%0.64574%0.741SS**  cis-159.9173.821.700000114.5
451T34.4Very low30.8Very low148 Ų148116.6 Ų116.691%0.90873%0.731SS**  trans61133.7164.454.20000117.9
452G31.5Very low31Very low63 Ų63119.8 Ų119.865%0.64974%0.735SS**  cis133.7139.6-3.100000111.8
453N31.8Very low31.2Very low171 Ų171121.2 Ų121.291%0.91473%0.734SS**  trans65166.4-177.4-55.3-18.3000113.9
454S28.9Very low31.2Very low99 Ų99125.3 Ų125.369%0.69274%0.736SS**  cis-170.2175.6-38.5-168.90000107.2
455L32.2Very low31.4Very low152 Ų152127.6 Ų127.680%0.79674%0.739SS**  trans63.6111.2162.9-63.5158.8000118.6
456D28.2Very low31.6Very low96 Ų96128.4 Ų128.451%0.51374%0.738SS.*  36.7142.699.8-152.315.8000122
457Y28.3Very low32.1Very low108 Ų108128.3 Ų128.342%0.42474%0.735SS.*  trans64.1150.6167.1-77.4-55.9000125.5L615Y457-L615 HydrophobicContact CE2-CD2 3.41Å; Y457-L615 VanDerWaalsContact CE2-CD2 3.41Å; Y457-L615 WeakPolarHBondContact OH-CD2 3.39Å
458T30.3Very low31.7Very low115 Ų115132.8 Ų132.871%0.70674%0.737SS**  trans74.2100.5153.233.20000121.4
459E28.3Very low31.6Very low171 Ų171136.8 Ų136.880%0.79974%0.739SS**  34.6109.5107.6-173.2175-164.600119.1
460I33.6Very low31.6Very low160 Ų160137.8 Ų137.882%0.82174%0.735SS**  trans-175.9110.8139.4-93.2147.6000104.6
461S28.5Very low31.7Very low93 Ų93144.6 Ų144.665%0.6575%0.745SS**  79.313359.5-169.30000113.4
462K33.3Very low31.4Very low178 Ų178141.1 Ų141.177%0.77474%0.739SS**  trans78.4147.8-175.1-53.3164.6-173.4168.80114.1
463Q31.9Very low31.6Very low150 Ų150142 Ų14270%0.70175%0.748SS**  cis-150.4157.21.2-133.8153.5-37.700112.4
464R28.3Very low31.5Very low200 Ų200137.3 Ų137.376%0.75574%0.74SS**  trans-8.6153.9156.7-47.6172.4-173.6172.7-1.9117.3
465H34Very low32Very low157 Ų157140.9 Ų140.973%0.72775%0.751SS**  -172.1147.950.4-136.8-74.9000112.1
466D32.1Very low32.1Very low142 Ų142142.7 Ų142.776%0.75975%0.753SS**  trans-75.2150.7156.6-58.4-73.7000110.9
467P44.9Very low32.5Very low121 Ų121145.9 Ų145.979%0.78677%0.769SS**  trans-116.9118146.933.2-22.7000111.4
468F26.8Very low33Very low191 Ų191149 Ų14984%0.83879%0.785SS**  trans-60.6145.6147.3-82.3-120000108.3
469E34.1Very low33.1Very low183 Ų183152.5 Ų152.586%0.85579%0.791SS**  trans-155.4143.8133.5-124.7168.5-152.700113
470T29.8Very low33.5Very low118 Ų118151.6 Ų151.672%0.72479%0.791SS**  trans-115.9105.5-175.5-65.90000110.1
471Y34Very low33.3Very low220 Ų220150.8 Ų150.886%0.86379%0.789SS**  trans-152148156.8-76.4-73000108.6
472G29.6Very low33.7Very low76 Ų76152.4 Ų152.478%0.78479%0.79SS**  cis123.872.54.200000111.7
473G34.1Very low33.9Very low81 Ų81150.2 Ų150.284%0.83579%0.787SS**  trans156.6113.3176.700000112.8
474G30.4Very low34.1Very low72 Ų72148.9 Ų148.974%0.74279%0.785SS**  trans-102.5167.1172.100000111.9
475N39.7Very low34.7Very low174 Ų174146.7 Ų146.793%0.9379%0.788SS**  trans-145.7145.8163.1-104.7-46.4000112.1
476K34.5Very low35Very low190 Ų190144.7 Ų144.783%0.82678%0.782SS**  trans-85.7151.7-178.4-59.9172.1178.8174.90110.9
477L37.2Very low35.3Very low164 Ų164145.5 Ų145.586%0.85979%0.787SS**  trans171.4145.4141.8-90.7148.1000108.5
478K37.5Very low35Very low173 Ų173146.3 Ų146.375%0.75279%0.785SS**  cis-163.7150.4-40.4-119-164.9-176.2179.40106.4
479F32.4Very low35.5Very low188 Ų188144 Ų14483%0.82578%0.781SS**  trans-21.2145.8172.1-45.9-86.3000119.6
480N36.4Very low35.8Very low152 Ų152143.9 Ų143.981%0.81378%0.78SS**  -142.1144.7117.3-159.95.8000110.9
481N31Very low36Very low143 Ų143141.3 Ų141.377%0.76578%0.777SS**  trans-154.2128.9174.117325000106.8
482N36.3Very low36.2Very low128 Ų128136.9 Ų136.968%0.68477%0.768SS**  trans-160.8134.5170.2-116-16.5000113.1
483N38.1Very low36.6Very low132 Ų132142 Ų14271%0.70677%0.769SS**  trans52.7117.8160.1-55.5-22.9000118.9
484N34.9Very low36.9Very low122 Ų122146.1 Ų146.165%0.65277%0.772SS**  cis67.1106.245-171.651.1000113.4
485D41.8Very low36.9Very low154 Ų154150.5 Ų150.582%0.82478%0.777SS**  trans-153155.1135.5-125-31.4000111.7
486N38.8Very low36.5Very low114 Ų114154.2 Ų154.261%0.6178%0.778SS**  trans-105154.3-172.9-66.3-94.2000111.5
487N39.9Very low36.4Very low159 Ų159153 Ų15385%0.8578%0.781SS**  -170.1157.8122.8-105.3-58.6000114.5
488N37.5Very low36.2Very low139 Ų139153.3 Ų153.374%0.74378%0.782SS**  trans-88.1147.4-175.6-58-77.8000112.5
489N37.5Very low35.9Very low143 Ų143150.3 Ų150.377%0.76578%0.783SS**  -167.8158.2111.7-113.1-40.2000117.7G491N489-G491 PolarHBondContact O-N 2.92Å
490H41Very low35.9Very low179 Ų179148.9 Ų148.983%0.82978%0.784SS**  trans-12.4100.3173.3-71.7-74.8000120.8
491G34.3Very low36Very low64 Ų64149.3 Ų149.366%0.6679%0.786SS**  54.6120102.100000121.9N489N489-G491 PolarHBondContact O-N 2.92Å
492N37.5Very low36.4Very low128 Ų128149.2 Ų149.268%0.68479%0.785SS**  -155.3114.3128.1-103.7-56.5000112.6
493K38.1Very low36.3Very low183 Ų183149.9 Ų149.980%0.79679%0.787SS**  trans31.494135.9-51.6167.1-165129.40117.3
494N39.8Very low36.3Very low168 Ų168150 Ų15090%0.89879%0.788SS**  trans-156.6106.5143.5-92.9-39.6000109.3
495L30.5Very low36.4Very low163 Ų163150.3 Ų150.385%0.85379%0.79SS**  trans-78.9176.2167.4-71.6162.1000109.6
496W30.8Very low36.3Very low252 Ų252149.4 Ų149.496%0.95578%0.784SS**  trans79.464.5-176.4-56.990.9000116.8
497N33.1Very low36.2Very low166 Ų166150.7 Ų150.789%0.88879%0.789SS**  trans-161.241.9149.7-120.5-10.7000116
498I32.8Very low36.1Very low170 Ų170149.1 Ų149.187%0.87278%0.781SS**  trans-138.191.2175.9-50.5177.7000111.1
499S31.8Very low35.9Very low109 Ų109150 Ų15076%0.76279%0.785SS**  trans-174.773.1162.459.40000112.1
500N32.2Very low35.8Very low159 Ų159150.3 Ų150.385%0.8579%0.793SS**SBendtrans-170.358.4167.1-93.2-37.5000110.7
501N38.9Very low35.3Very low161 Ų161146.1 Ų146.186%0.86178%0.783SS**SBendtrans-16823.1173.2-104.8-12.3000114
502L38.6Very low35.2Very low140 Ų140152.3 Ų152.373%0.73379%0.792SS**SBendtrans-138.712.4-170.7-105.2169.4000114.9
503L35.4Very low35Very low142 Ų142151.9 Ų151.974%0.74380%0.796SS**SBendtrans-109-8.8-178.8-141.677.4000114.2
504N37.2Very low34.7Very low135 Ų135152 Ų15272%0.72280%0.797SS**SBendtrans-89.3-18.5-177.4-70.31.9000113.4
505D37.8Very low34.3Very low129 Ų129149.4 Ų149.469%0.6979%0.788SS**SBendtrans-89.91.2-173-60.2-33.6000114
506I38.1Very low34.2Very low135 Ų135149.2 Ų149.269%0.69279%0.787SS**SBendtrans-105.8-16.7-175.8-63.9175.9000112.4
507I38.6Very low34.5Very low140 Ų140143.3 Ų143.372%0.71878%0.782SS**SBendtrans-78.6-20.9-177.2-66.5174.3000112.2
508N36.9Very low34.5Very low127 Ų127143.3 Ų143.368%0.67978%0.781SS**SBendtrans-109.176.4-179.1-68.1-38.5000111.9
509N32.4Very low34.5Very low157 Ų157143.2 Ų143.284%0.8477%0.774SS**  trans157.586.6147-82.9-37.6000113
510T36Very low34.5Very low150 Ų150147.8 Ų147.892%0.9278%0.775SS**  trans-159.5148147.3140000109.9
511S30.9Very low34.3Very low90 Ų90144.7 Ų144.763%0.62977%0.766SS**  trans-136.6171.5177.3-1740000109.8
512F31.5Very low34Very low195 Ų195144.7 Ų144.786%0.85577%0.766SS**  trans85.7150174.4-54.4-68.2000117
513P34.1Very low33.5Very low118 Ų118142 Ų14277%0.76676%0.759SS**  trans-134.6-168.9-138.243.2-26.2000116.1
514F30.8Very low33.2Very low186 Ų186144.2 Ų144.282%0.81676%0.763SS**  trans108.6149.5147.3-158.6-119.6000118.9
515T31.8Very low32.8Very low114 Ų114143.4 Ų143.470%0.69976%0.757SS**  trans70.2112.6171.829.20000121.3
516D28.1Very low32.5Very low158 Ų158145 Ų14585%0.84576%0.76SS**  trans-85.4160156.9-57-66.7000112.5
517P37.1Very low32.1Very low128 Ų128144.4 Ų144.483%0.83176%0.759SS**  trans-115.4118.4156.234.4-22.6000112.8
518L33.9Very low31.7Very low167 Ų167143.1 Ų143.187%0.87476%0.757SS**  trans-70.2146.1166.2-64163.8000111.1
519F32.2Very low31.4Very low168 Ų168143.6 Ų143.674%0.73776%0.76SS**  trans-164.7143.6139.3-124.9-141.4000116.1
520W32.3Very low31.6Very low205 Ų205143.2 Ų143.278%0.77776%0.757SS**  trans41118.9165.8-61.6-24000120.7
521S28.8Very low31.6Very low93 Ų93143.3 Ų143.365%0.6575%0.752SS**  cis8311520.893.90000118.1
522N31.1Very low31.8Very low161 Ų161141.2 Ų141.286%0.86175%0.745SS**  trans-179.6113.5142.7-89.1-28.9000107.4
523S28.8Very low32Very low85 Ų85139.1 Ų139.159%0.59474%0.743SS**  cis97.4107.325.7-166.50000114.3
524F29.4Very low32.1Very low187 Ų187143.2 Ų143.282%0.8274%0.744SS**  trans175.3103.4135.4-115.1-102.7000107.6
525I28Very low32.3Very low118 Ų118141.9 Ų141.961%0.60575%0.745SS**  88.3140.663.2-67.5165000112.4
526Q32.6Very low32.5Very low162 Ų162140.5 Ų140.576%0.75775%0.745SS**  trans83.6132.4-175.3-49.4-163.913.200115.8
527N29.1Very low32.7Very low124 Ų124138.9 Ų138.966%0.66374%0.741SS**  cis-156.9153.8-11.5-112.7-23.8000112.3
528T30Very low32.5Very low112 Ų112137.5 Ų137.569%0.68774%0.741SS**  trans4144.7154.761.10000119.1
529N30.4Very low32.4Very low138 Ų138134.2 Ų134.274%0.73874%0.737SS**  -174.2176.851.9-144.2-21.6000112.9
530L36.8Very low32.4Very low149 Ų149131.2 Ų131.278%0.7874%0.743SS**  trans68.7141.1177.6-43.9166.3000114.4
531D35.4Very low32.5Very low151 Ų151126.3 Ų126.381%0.80775%0.747SS**  cis-167.3162.1-28.4-106.9-52.4000106.8
532G36.4Very low32.7Very low47 Ų47127 Ų12749%0.48576%0.759SS.*  cis172144.8-3.900000111.3
533N36Very low32.8Very low150 Ų150124.2 Ų124.280%0.80276%0.757SS**  trans72.4141.3-171.7-40.5-66.9000114.7
534Y34.7Very low33.1Very low205 Ų205125 Ų12580%0.80477%0.769SS**  cis-133.4158.117.5-88.6-92.4000114.8
535L36.1Very low33.4Very low157 Ų157120.2 Ų120.282%0.82276%0.764SS**  trans-73.8175.2165.2-135.772.5000110.4
536A36.1Very low33.9Very low86 Ų86121 Ų12171%0.71178%0.775SS**  cis-168.717616.600000108.7
537T32.6Very low34Very low124 Ų124117.3 Ų117.376%0.76177%0.771SS**  cis-174.2128.2-22.7-98.60000109
538A32.4Very low34.4Very low99 Ų99120 Ų12082%0.81878%0.782SS**  trans-170149.5164.200000111
539A32.3Very low34.7Very low97 Ų97118.3 Ų118.380%0.80278%0.78SS**  cis-158.6151.3-26.600000109.9
540A32Very low34.9Very low105 Ų105116.6 Ų116.687%0.86879%0.785SS**  trans-6.9131.8173.500000121.9
541A34.2Very low35.2Very low102 Ų102115.9 Ų115.984%0.84379%0.786SS**  trans-164.3150.5133.100000113.1
542A33.4Very low35.4Very low109 Ų109115.7 Ų115.790%0.90179%0.785SS**  trans59.3133.716200000120.2
543A32.1Very low35.7Very low101 Ų101118.9 Ų118.984%0.83580%0.797SS**  trans-128.8-167.5175.200000110.5
544A35.9Very low35.8Very low101 Ų101116.4 Ų116.484%0.83580%0.798SS**  trans84.9140-178.900000115.7
545A35.6Very low36Very low87 Ų87114.2 Ų114.272%0.71980%0.8SS**  cis-157.6147.5-15.900000113
546T37.6Very low36Very low136 Ų136114.3 Ų114.383%0.83480%0.8SS**  trans22.1116.3135.7-46.10000119.7
547A35.8Very low36Very low83 Ų83116.4 Ų116.469%0.68680%0.799SS**  174.3125.6110.300000114.6
548M37Very low36.3Very low181 Ų181119.4 Ų119.489%0.89280%0.802SS**  49.1151.9124.7-50.6-92.4-8800121.7
549A35.7Very low36.5Very low77 Ų77122.7 Ų122.764%0.63680%0.804SS**  cis-176.8128.8-29.300000109.5
550A35.3Very low36.7Very low101 Ų101125.3 Ų125.384%0.83580%0.804SS**  trans60.7178168.100000115.4
551V41.8Very low37.3Very low135 Ų135125.3 Ų125.382%0.81880%0.795SS**  cis-136.6154.49.2-171.30000111.8
552N40.1Very low37.4Very low147 Ų147124.8 Ų124.879%0.78679%0.791SS**  trans-43.3145.8174.6-15530.3000117
553P42.9Very low37.4Very low113 Ų113124.4 Ų124.473%0.73478%0.781SS**  trans-98.8151179.737.4-33.4000115
554A38.7Very low37.5Very low99 Ų99127 Ų12782%0.81878%0.78SS**  trans-157.5145.6163.900000114.1
555N38.6Very low37.4Very low158 Ų158130.2 Ų130.285%0.84578%0.778SS**  trans-39137.2177.7-54.6-57.7000117.7
556L36Very low37.3Very low159 Ų159133 Ų13383%0.83278%0.779SS**  trans-149.6137.5144.4-81.7-170000112.5
557L36.6Very low37Very low131 Ų131132.7 Ų132.769%0.68677%0.773SS**  trans49.7121.9158.5-79.771.4000118.7
558K38Very low36.9Very low187 Ų187133.8 Ų133.881%0.81377%0.767SS**  55110.670.4-63.3179.5177.1178.30114.1
559L37.3Very low36.7Very low167 Ų167131.4 Ų131.487%0.87476%0.758SS**  -167.2156109.1-106.9138.7000113.2
560L37.1Very low36.7Very low153 Ų153132.7 Ų132.780%0.80176%0.758SS**  trans-92.3-175.6-176.2-101.271.3000110.8
561P42.8Very low36.5Very low105 Ų105137.7 Ų137.768%0.68276%0.757SS**  cis-143.9-176.5-36.740.1-23.1000114.7
562A36.8Very low36.4Very low90 Ų90136 Ų13674%0.74475%0.749SS**  trans66.3170.9145.600000117.6
563S33Very low36.2Very low101 Ų101133.6 Ų133.671%0.70674%0.744SS**  cis-142.2-175.79.8-68.20000112
564I34.8Very low36Very low157 Ų157133.4 Ų133.481%0.80574%0.74SS**  trans86.192.1167.4-55.1164.5000111.7
565Q33.2Very low35.9Very low168 Ų168135.3 Ų135.379%0.78574%0.737SS**  54.3129.562.9-54.4-167.7-6.100111.8
566L34.1Very low35.8Very low144 Ų144133.9 Ų133.975%0.75473%0.728SS**  cis-146.9137.645.7-83.6168.9000108.9
567N32.3Very low36Very low130 Ų130133 Ų13370%0.69572%0.722SS**  76.7127.296-146.255.8000112
568N32.3Very low36Very low107 Ų107131.7 Ų131.757%0.57272%0.72SS**  cis-156135.927.9-150.82.9000112
569N33.8Very low36.1Very low130 Ų130128.6 Ų128.670%0.69572%0.717SS**  trans55.2146.1152.9-61.9-17.7000121.4
570T34.8Very low36.3Very low104 Ų104125.7 Ų125.764%0.63871%0.706SS**  cis-162.7124.6-13.7-97.40000105.7
571Y32Very low36.4Very low206 Ų206125 Ų12581%0.80871%0.709SS**  67.8150.467.7-79.5-46.9000113.3
572P39.5Very low36.3Very low101 Ų101122.7 Ų122.766%0.65670%0.704SS**  -138.7-159.4-5927.8-4.9000113.1
573S36Very low36.5Very low96 Ų96124.9 Ų124.967%0.67171%0.708SS**  trans91.4151.8142.8-630000116.9
574T38Very low36.7Very low109 Ų109125.5 Ų125.567%0.66971%0.708SS**  cis-151.8142.88.3-8.60000110.2
575N36.3Very low36.9Very low139 Ų139123.7 Ų123.774%0.74371%0.705SS**  48.5154.8121.6-68.14.7000120.4
576I37.9Very low37.1Very low127 Ų127121.1 Ų121.165%0.65170%0.7SS**  cis-164.2145.917.8-134.3164000111.9
577I38.7Very low37.2Very low141 Ų141120.1 Ų120.172%0.72370%0.7SS**  trans59.6148.2139.2-81.3168.5000120.8
578T38Very low37.4Very low104 Ų104119 Ų11964%0.63870%0.703SS**  cis178.6173.8-22.8-104.30000109.3
579T40Very low37.4Very low122 Ų122119.9 Ų119.975%0.74871%0.712SS**  trans73.315015940.50000120.9
580T41Very low37.5Very low106 Ų106119.5 Ų119.565%0.6572%0.715SS**  cis-178.5134.8-27.3-102.70000112.3
581T40.2Very low37.5Very low138 Ų138118.7 Ų118.785%0.84771%0.713SS**  trans55.2154.7162.553.70000121
582G40.4Very low37.7Very low57 Ų57119.8 Ų119.859%0.58872%0.718SS**  cis158.8-179.4-700000114
583T39.8Very low37.5Very low136 Ų136119.9 Ų119.983%0.83472%0.721SS**  trans70.5148.1162.9680000118.8
584T38.9Very low37.5Very low113 Ų113122.5 Ų122.569%0.69373%0.726SS**  cis-170.7156.3-11.922.60000112.7
585T38.6Very low37.3Very low120 Ų120123 Ų12374%0.73673%0.729SS**  trans65.2156.6145.454.40000121
586T37.5Very low37.4Very low114 Ų114122.1 Ų122.170%0.69973%0.729SS**  cis-166.3135.7-1.614.30000115.8
587T35.5Very low37.5Very low122 Ų122120.8 Ų120.875%0.74873%0.731SS**  trans44152.3135.759.70000127.8
588S35.9Very low37.6Very low108 Ų108119 Ų11976%0.75573%0.729SS**  trans101.6165.114477.70000120.5
589T33.8Very low37.5Very low124 Ų124123.5 Ų123.576%0.76174%0.74SS**  -161.3177-82.622.40000113
590T35Very low37.3Very low123 Ų123123.3 Ų123.376%0.75574%0.739SS**  trans80.3162.4166.869.20000120.3
591S34.1Very low37Very low87 Ų87122.8 Ų122.861%0.60874%0.74SS**  169.6121.1-67.353.20000113.6
592Y36.4Very low36.7Very low229 Ų229121 Ų12190%0.89873%0.733SS**  trans-151.3168.8174.5-64.6-67.3000117.4
593S35.5Very low36.5Very low103 Ų103123.3 Ų123.372%0.7274%0.74SS**  trans-91.4172.8-159.548.70000118.8
594L36.8Very low36.2Very low150 Ų150121.7 Ų121.779%0.78573%0.734SS**  cis-175.5165.2-12.4-101.6170.2000111.6
595T34.3Very low35.8Very low120 Ų120121.3 Ų121.374%0.73674%0.736SS**  trans64.4155.3150.549.60000120.9
596T37.6Very low35.5Very low120 Ų120120.6 Ų120.674%0.73674%0.736SS**  cis-161.2145.72.92.50000115.1
597S39.1Very low35.3Very low100 Ų100120.6 Ų120.670%0.69974%0.736SS**  trans45.1132.1144650000125.9
598P40.8Very low35.1Very low102 Ų102123.9 Ų123.966%0.66274%0.74SS**  trans-114.5178.4162.241.6-32000114.8
599F37.2Very low35.1Very low199 Ų199123 Ų12387%0.87373%0.733SS**  trans-147.4159.1170.9-98.7-78.3000115.9
600T34.7Very low35.3Very low118 Ų118125 Ų12572%0.72474%0.74SS**  trans-55167.317346.20000116.9
601S36Very low35.3Very low96 Ų96124.4 Ų124.467%0.67174%0.74SS**  cis-173.8170.4-7.9490000112.4
602S33.5Very low35.6Very low100 Ų100125.7 Ų125.770%0.69975%0.746SS**  trans70.3145.2139.760.70000123.5
603S35.4Very low35.5Very low105 Ų105122.9 Ų122.973%0.73473%0.734SS**  trans87.992.5147.2-58.10000122.3
604S32.9Very low35.6Very low103 Ų103125.5 Ų125.572%0.7274%0.739SS**  57.3119.3123.163.30000123.7
605S32Very low35.6Very low104 Ų104123 Ų12373%0.72773%0.726SS**  86.1140127.471.30000123.5
606S31.1Very low35.6Very low105 Ų105123.5 Ų123.573%0.73472%0.724SS**  trans75.9105.4155.158.20000122.5
607V34Very low35.4Very low115 Ų115122.4 Ų122.470%0.69771%0.714SS**  38.2121.7121.1-170.60000119.3
608F32.2Very low35.3Very low191 Ų191123.6 Ų123.684%0.83871%0.713SS**  -173.8142111-98.1-63000115.7
609S34.9Very low34.9Very low88 Ų88125.4 Ų125.462%0.61572%0.716SS**  trans16144154.8-56.30000124.7
610N37Very low34.7Very low168 Ų168120.6 Ų120.690%0.89870%0.703SS**  -158.6149.4112.1-94.8-36.4000113.2
611S35.3Very low34.4Very low109 Ų109121.4 Ų121.476%0.76270%0.703SS**  trans-112.7-156.4-174.6-53.50000110.2
612P41.5Very low34.1Very low114 Ų114123.7 Ų123.774%0.7471%0.708SS**  cis-124.1158-1014.513.3000115
613R34.9Very low33.8Very low171 Ų171122.9 Ų122.965%0.64570%0.702SS**  65.9127.478.9-71.8-174.9151.7-127.9-2.4120
614L36.5Very low33.7Very low158 Ų158126 Ų12683%0.82771%0.705SS**  -163.8129128.6-69.3-166.3000106.8
615L36.7Very low33.6Very low98 Ų98126.6 Ų126.651%0.51370%0.701SS.*  74.6130.266.8-65.1170.6000113.2Y457Y457-L615 HydrophobicContact CE2-CD2 3.41Å; Y457-L615 VanDerWaalsContact CE2-CD2 3.41Å; Y457-L615 WeakPolarHBondContact OH-CD2 3.39Å
616N34.7Very low33.5Very low130 Ų130128 Ų12870%0.69570%0.699SS**  cis-142.6158.518.5-100.813.4000111.6
617N34.1Very low33.4Very low96 Ų96129.9 Ų129.951%0.51370%0.699SS.*  56.3140.975.9-70.157.1000115.1
618D36.7Very low33Very low126 Ų126131 Ų13167%0.67470%0.7SS**  cis-159.5141.71.3-104.5-45.4000107.7
619N31.6Very low32.9Very low139 Ų139127.5 Ų127.574%0.74370%0.695SS**  93.2154.772.1-162.610.6000115.7
620V32.7Very low32.6Very low99 Ų99128.5 Ų128.560%0.670%0.697SS**  trans85.2103.5160.9-166.90000121.7
621N29.3Very low32.2Very low134 Ų134125.8 Ų125.872%0.71769%0.687SS**  trans63.3146138.7-62.3-3.7000125.3
622N28.4Very low31.9Very low144 Ų144126.7 Ų126.777%0.7768%0.683SS**  trans66.2151.1145.2-70.24.7000118.5
623S28.8Very low31.6Very low83 Ų83127.7 Ų127.758%0.5869%0.687SS**  cis-170.9151.2-16.846.50000107.2
624E32.4Very low31.6Very low170 Ų170124.4 Ų124.479%0.79469%0.686SS**  trans63.6169.1169.9-63.3-177.9-141.200113.7
625N29.9Very low31.5Very low117 Ų117123.9 Ų123.963%0.62668%0.684SS**  cis-153.6171.8-23.9-122.5-40.3000109.2
626I30.6Very low31.5Very low134 Ų134125.2 Ų125.269%0.68769%0.692SS**  trans67.3107.9141-74.1168.1000120.6
627I28.2Very low31.6Very low144 Ų144124.5 Ų124.574%0.73869%0.688SS**  85.7142.5127.2-67.1-176.8000123
628L27.6Very low31.8Very low137 Ų137126 Ų12672%0.71770%0.696SS**  trans-53.9164.8178-5372.9000116.4
629T29Very low31.7Very low119 Ų119126.2 Ų126.273%0.7370%0.697SS**  161.8105.6110.5-62.20000109.2
630T28.4Very low32Very low108 Ų108124.9 Ų124.966%0.66370%0.699SS**  71.5146.779.2-39.50000115.5
631T29.2Very low32Very low111 Ų111126.5 Ų126.568%0.68170%0.704SS**  trans86152165.874.40000118.5
632N29.4Very low32.2Very low128 Ų128127.1 Ų127.168%0.68470%0.704SS**  cis-165.2154.5-20-103.3-8.9000111.1
633T34.3Very low32.4Very low135 Ų135126.8 Ų126.883%0.82870%0.703SS**  trans179.9101.7147.613.50000108.8
634T34.9Very low32.7Very low102 Ų102127.9 Ų127.963%0.62671%0.709SS**  81.6102.753.567.30000116.1
635N35.2Very low32.7Very low148 Ų148126.8 Ų126.879%0.79171%0.709SS**  trans165.9145.8137.4-90.1-21.4000111.9
636N36.5Very low32.9Very low126 Ų126125.6 Ų125.667%0.67471%0.706SS**  cis-163.7162.1-31.2-136.7-6000112.1
637N37.3Very low33.1Very low114 Ų114127 Ų12761%0.6171%0.707SS**  trans72.4109.6154.9-62.1-13.3000122.8
638N36.6Very low33.3Very low127 Ų127127.7 Ų127.768%0.67971%0.706SS**  72.2139.5117.8-55.3-7000120.3
639N35.7Very low33.6Very low131 Ų131126.9 Ų126.970%0.70170%0.703SS**  cis-161.6150.93.5-113.1-2.8000112.7
640S38.4Very low33.7Very low111 Ų111128.3 Ų128.378%0.77670%0.701SS**  trans58.3147.9149.957.10000122.1
641N31.2Very low33.8Very low134 Ų134131.6 Ų131.672%0.71771%0.714SS**  cis-169.8168.2-23.6-161.912.5000110.2
642M34.6Very low33.8Very low146 Ų146130.4 Ų130.472%0.71971%0.707SS**  trans73.480.1162.1-66.9-67.9160.800120.7
643D32.9Very low33.8Very low137 Ų137131.3 Ų131.373%0.73371%0.71SS**  55.7140.3111.2-94-45.6000126.3
644C33.6Very low33.5Very low107 Ų107132.6 Ų132.672%0.72371%0.707SS**  trans59.2160139.288.40000121.1
645D33.2Very low33.4Very low146 Ų146131.3 Ų131.378%0.78171%0.714SS**  cis-176.4166.1-30.9-106.6-13.1000106.2
646V34.7Very low33.3Very low93 Ų93131.2 Ų131.256%0.56471%0.706SS**  cis-170.8157.6-33.376.80000110.2
647K34.1Very low33Very low164 Ų164135.4 Ų135.471%0.71371%0.714SS**  trans75.7150154.1-75.3166.6-152.9153.50123.7
648H33.7Very low32.7Very low157 Ų157134.9 Ų134.973%0.72772%0.719SS**  trans67.1145.1153.1-70.9-64.1000118.9
649D33.6Very low32.6Very low120 Ų120137.4 Ų137.464%0.64272%0.724SS**  cis-148156.36.1-132.1-19.7000118
650Q30.5Very low32.3Very low149 Ų149141.6 Ų141.670%0.69673%0.73SS**  trans-1.8134.2149.9-169.4-174151.500121.2
651L31.3Very low31.8Very low177 Ų177143 Ų14393%0.92773%0.729SS**  trans-152.5112.3147.1-118.6175.6000117.2
652T28.2Very low31.9Very low87 Ų87146.3 Ų146.353%0.53474%0.737SS.*  trans-60.7129.8-179.8-64.60000118.9
653I28.7Very low31.6Very low147 Ų147145.4 Ų145.475%0.75474%0.735SS**  trans43.4121.2139.7-42.5167.9000121.1
654Q28.5Very low31.4Very low162 Ų162146 Ų14676%0.75774%0.737SS**  173.7145.8119-97.6-171.778.700114.6
655G33.7Very low31Very low75 Ų75145.6 Ų145.677%0.77374%0.735SS**  trans146.279.2175.700000114.1
656K32.8Very low30.7Very low146 Ų146145 Ų14564%0.63573%0.732SS**  69104.965.3-85.2171.1176.21560116.6
657Y30Very low30.3Very low213 Ų213147 Ų14784%0.83575%0.745SS**  trans90.2131.9150.4-56.9-63.6000124
658S31.9Very low29.9Very low103 Ų103145.6 Ų145.672%0.7275%0.75SS**  trans102111.4134.1-125.40000122.9
659K33Very low29.8Very low181 Ų181149.6 Ų149.679%0.78776%0.759SS**  trans-0.6148.4132.9-57.1164.4-176.5173.40116.2
660R30.2Very low29.4Very low218 Ų218152.4 Ų152.482%0.82377%0.766SS**  -169.9167.351.2-155.9175.7-72.4124.1-6.6113.4
661N26.9Very low29.5Very low140 Ų140153.2 Ų153.275%0.74978%0.775SS**  trans-74.1155.2-173.8-49-29.5000116.8
662K33.9Very low29.6Very low204 Ų204151.1 Ų151.189%0.88776%0.764SS**  trans-166.1126.4133.9-96172.1-176.5-175.60105.6
663L27.6Very low29.9Very low128 Ų128153.1 Ų153.167%0.6777%0.772SS**  cis65.4104.918.1-107.2176.5000114.5
664L30.1Very low30.1Very low149 Ų149153.3 Ų153.378%0.7877%0.769SS**  -158.3135.5114.9-129.772.7000111.2
665S24.4Very low30.3Very low99 Ų99152.4 Ų152.469%0.69277%0.769SS**  trans-124.2123168.753.40000107.1
666N26.8Very low30.1Very low132 Ų132155.9 Ų155.971%0.70677%0.769SS**  trans-142124.1179.7-89.4-0.9000109.8
667T25.6Very low30Very low137 Ų137156.4 Ų156.484%0.8477%0.774SS**  -179.1115.2127.139.30000108.9
668T27.5Very low30.1Very low133 Ų133152 Ų15282%0.81677%0.769SS**  trans-173.8165.5155.85.60000107.4
669W30.2Very low30.1Very low242 Ų242151.6 Ų151.692%0.91777%0.766SS**  trans77.3107.2-173.8-59.379.6000113.7
670F25.1Very low30.1Very low179 Ų179148 Ų14879%0.78576%0.76SS**  trans-71.9160.9163.3-61.5-110.7000109.1
671D33.9Very low30.3Very low165 Ų165142.8 Ų142.888%0.88275%0.748SS**  -144.5157.9129.7-85.6-44.5000106.2
672D32.1Very low30.6Very low133 Ų133140.7 Ų140.771%0.71174%0.737SS**  trans-93.1176.6-150.6-72-69.8000117.3
673D34.2Very low30.7Very low130 Ų130132.5 Ų132.570%0.69571%0.71SS**  trans104.7117.9140.1-82.4-35.4000123.3
674H34.2Very low31.1Very low150 Ų150131.4 Ų131.469%0.69470%0.704SS**  trans91.6109.7138.4-67.810.6000121.5
675L31.7Very low31.5Very low144 Ų144131.7 Ų131.775%0.75470%0.701SS**  trans75.8104.2138.5-59.8169.8000120.5
676L29.7Very low32.2Very low148 Ų148129.2 Ų129.278%0.77569%0.691SS**  28.3138.8114.9-53.5171.7000117.2
677Q31.6Very low32.6Very low156 Ų156130.8 Ų130.873%0.72970%0.699SS**  cis-177.7138.939.1-152.1170.2-33.700111
678T31.2Very low33Very low120 Ų120128.4 Ų128.474%0.73669%0.688SS**  trans51.9158.3148.554.50000122
679S31.6Very low33.4Very low95 Ų95125.8 Ų125.866%0.66467%0.669SS**  cis-168.1135.6-20-95.20000112.8
680T34.6Very low33.6Very low105 Ų105118.7 Ų118.764%0.64466%0.656SS**  trans31.1126136.565.60000125.1
681N33.3Very low34.2Very low109 Ų109114 Ų11458%0.58364%0.644SS**  73.5158.8116.4-56.5-7.4000126.2
682N33.9Very low34.1Very low97 Ų97111.9 Ų111.952%0.51963%0.627SS.*  trans67.8125.4149.2-58.1-10.3000127.3T111 L112T111-N682 WeakPolarHBondContact CG2-O 3.47Å; L112-N682 HydrophobicContact CD1-CB 4.28Å; L112-N682 HydrophobicContact CD2-CB 4.17Å; L112-N682 WeakPolarHBondContact CD2-OD1 3.47Å; L112-N682 HydrophobicContact CG-CB 3.68Å; L112-N682 VanDerWaalsContact CG-CG 3.49Å; L112-N682 WeakPolarHBondContact CG-OD1 2.86Å
683G34.6Very low34.2Very low31 Ų31113 Ų11332%0.3263%0.632SS.*  cis-150.7-169.4-8.200000118.9T111 L112T111-G683 VanDerWaalsContact CG2-N 3.3Å; T111-G683 WeakPolarHBondContact OG1-CA 3.27Å; T111-G683 PolarHBondContact OG1-N 3.22Å; T111-G683 PolarHBondContact OG1-O 2.62Å; L112-G683 VanDerWaalsContact CG-CA 3.5Å
684I37Very low33.9Very low105 Ų105111.2 Ų111.254%0.53862%0.623SS.*  cis179.1172.239.1-26.9176.9000114.2L112 L113L112-I684 HydrophobicContact CD1-CB 4.49Å; L112-I684 HydrophobicContact CD1-CG1 4.41Å; L112-I684 HydrophobicContact CD1-CG2 4.13Å; L113-I684 HydrophobicContact CD1-CG2 3.58Å
685H38.6Very low33.8Very low156 Ų156111.8 Ų111.872%0.72263%0.626SS**  trans106135.3146.7-61.6-61.6000121.4
686G38.7Very low33.7Very low47 Ų47109 Ų10949%0.48562%0.618SS.*  cis173.4167.9-8.300000116.5
687N35.6Very low33.7Very low164 Ų164109.9 Ų109.988%0.87762%0.616SS**  trans72.8146.5165.3-56.9-9.6000117.7
688S34.8Very low33.5Very low87 Ų87110.4 Ų110.461%0.60862%0.616SS**  cis-154.3152.5-5.793.90000113.3
689L34.2Very low33.3Very low79 Ų79110.3 Ų110.341%0.41462%0.615SS.*  trans52.9119.5145.7-62.2153.5000118.8T49T49-L689 HydrophobicContact CG2-CD1 4.34Å
690S35Very low33Very low92 Ų92113 Ų11364%0.64362%0.622SS**  cis68.513132.4-40.80000114.2
691P37.5Very low32.7Very low82 Ų82111.3 Ų111.353%0.53261%0.614SS.*  -153.2153.783.939.9-22.3000119.2
692K33Very low32.5Very low120 Ų120112.8 Ų112.852%0.52262%0.622SS.*  trans64.8150.2140-67.8162.3-174.2160.10118.8T50 T51 N694T50-K692 WeakPolarHBondContact O-CE 3.21Å; T50-K692 PolarHBondContact O-NZ 2.97Å; T51-K692 PolarHBondContact O-NZ 3.02Å; K692-N694 WeakPolarHBondContact CG-OD1 3.44Å
693L32.4Very low32.4Very low157 Ų157115.1 Ų115.182%0.82263%0.627SS**  cis-107.91453.2-67.2162000109.9
694N30Very low32.2Very low92 Ų92121.5 Ų121.549%0.49265%0.654SS.*  cis70135.146.2-59.543.5000110.7K692K692-N694 WeakPolarHBondContact CG-OD1 3.44Å
695E31.5Very low32.1Very low162 Ų162125.9 Ų125.976%0.75767%0.67SS**  cis-163.5170.12.8-103.4153.2-137.200106
696S29.2Very low31.9Very low86 Ų86123.5 Ų123.560%0.60166%0.662SS**  cis-174.2175.9-29.364.50000107.6
697K30.4Very low31.7Very low166 Ų166126.4 Ų126.472%0.72267%0.665SS**  trans36.7135.5147.1-74170.8168.7175.90120.2
698F27.2Very low31.7Very low166 Ų166126.1 Ų126.173%0.72866%0.659SS**  cis-160159.940.2-94.3-74000111.5
699T26.3Very low32.1Very low119 Ų119125.4 Ų125.473%0.7365%0.654SS**  trans47.8130.1153.254.40000119.2
700L26.2Very low32.3Very low152 Ų152124.6 Ų124.680%0.79665%0.648SS**  cis-171.3174.949.2-157.572.6000111
701S27.5Very low32.6Very low69 Ų69124.7 Ų124.748%0.48364%0.64SS.*  trans65.9116.4156.6-880000122.9K703S701-K703 PolarHBondContact O-NZ 3.24Å
702D28.4Very low33Very low139 Ų139124.3 Ų124.374%0.74364%0.64SS**  5973.8129.8-50.6-53.8000118.4
703K33.4Very low33.8Very low147 Ų147125.2 Ų125.264%0.63964%0.64SS**  trans-145.4128145.5-68.890.2-149.7154.80108.9S701S701-K703 PolarHBondContact O-NZ 3.24Å
704D29.9Very low34.6Very low164 Ų164118.4 Ų118.488%0.87760%0.604SS**  trans-179.241.3133.7-89.7-8.9000110.5N706D704-N706 PolarHBondContact O-N 3.35Å
705F34.4Very low35.6Very low198 Ų198116.5 Ų116.587%0.86860%0.598SS**SBendtrans-65.6132159.4-129-92.8000107.3I707F705-I707 VanDerWaalsContact C-N 3.32Å; F705-I707 PolarHBondContact O-N 2.98Å
706N34.7Very low36.7Very low105 Ų105114.4 Ų114.456%0.56159%0.591SS**  trans-71.485-165-170.2-24.9000112.4D704 E708 S709 E710D704-N706 PolarHBondContact O-N 3.35Å; N706-E708 PolarHBondContact O-N 3.11Å; N706-E708 PolarHBondContact OD1-N 3.3Å; N706-S709 PolarHBondContact O-N 2.87Å; N706-S709 PolarHBondContact OD1-N 3.34Å; N706-E710 PolarHBondContact O-N 2.69Å
707I35.3Very low37.8Very low108 Ų108111.6 Ų111.655%0.55457%0.57SS**Hα-helixtrans-55.9-33.3179.9-76164.5000111.4F705 E710 I711F705-I707 VanDerWaalsContact C-N 3.32Å; F705-I707 PolarHBondContact O-N 2.98Å; I707-E710 PolarHBondContact O-N 2.99Å; I707-I711 HydrophobicContact CG2-CD1 3.54Å; I707-I711 HydrophobicContact CG2-CG1 4.2Å; I707-I711 VanDerWaalsContact O-CB 3.24Å; I707-I711 WeakPolarHBondContact O-CB 3.33Å; I707-I711 WeakPolarHBondContact O-CG1 3.26Å; I707-I711 PolarHBondContact O-N 3Å
708E34.7Very low39Very low159 Ų159105.3 Ų105.374%0.74354%0.543SS*.Hα-helixtrans-77.7-36.2-176.3-157.2158.2-136.900112.2N706 S712N706-E708 PolarHBondContact O-N 3.11Å; N706-E708 PolarHBondContact OD1-N 3.3Å; E708-S712 PolarHBondContact O-N 3.16Å
709S43.9Very low40.4Very low72 Ų72101.2 Ų101.250%0.50353%0.529SS..Hα-helixtrans-64.9-43169-178.20000111.7N706 S712 R713N706-S709 PolarHBondContact O-N 2.87Å; N706-S709 PolarHBondContact OD1-N 3.34Å; S709-S712 WeakPolarHBondContact O-CB 3.32Å; S709-S712 PolarHBondContact O-N 3.04Å; S709-S712 VanDerWaalsContact O-N 3.13Å; S709-R713 PolarHBondContact O-N 3.43Å; S709-R713 VanDerWaalsContact O-N 3.08Å
710E38.2Very low41.7Very low62 Ų6299.7 Ų99.729%0.2952%0.516SS..Hα-helixtrans-70.2-36.3177.6-175.558.8-166.700111.5N706 I707 S712 R713 Q714N706-E710 PolarHBondContact O-N 2.69Å; I707-E710 PolarHBondContact O-N 2.99Å; E710-S712 PolarHBondContact O-N 3.05Å; E710-R713 PolarHBondContact O-N 3.36Å; E710-Q714 HydrophobicContact CG-CG 4.11Å; E710-Q714 WeakPolarHBondContact O-CA 3.48Å; E710-Q714 WeakPolarHBondContact O-CB 3.31Å; E710-Q714 VanDerWaalsContact O-CG 3.23Å; E710-Q714 WeakPolarHBondContact O-CG 3.3Å; E710-Q714 PolarHBondContact O-N 3.12Å; E710-Q714 WeakPolarHBondContact OE1-CG 3.22Å; E710-Q714 PolarHBondContact OE1-NE2 3.41Å
711I41.2Very low42.9Very low94 Ų9494.2 Ų94.248%0.48249%0.485SS..Hα-helixtrans-61.3-31.9168.4-77.1168.9000111.2I707 S715I707-I711 HydrophobicContact CG2-CD1 3.54Å; I707-I711 HydrophobicContact CG2-CG1 4.2Å; I707-I711 VanDerWaalsContact O-CB 3.24Å; I707-I711 WeakPolarHBondContact O-CB 3.33Å; I707-I711 WeakPolarHBondContact O-CG1 3.26Å; I707-I711 PolarHBondContact O-N 3Å; I711-S715 WeakPolarHBondContact O-CA 3.37Å; I711-S715 WeakPolarHBondContact O-CB 3.23Å; I711-S715 PolarHBondContact O-N 3.08Å; I711-S715 PolarHBondContact O-OG 2.96Å
712S44.9Very low44.2Very low74 Ų7499.2 Ų99.252%0.51749%0.493SS..Hα-helixtrans-71.4-42.2175.8-160.70000112.3E708 S709 E710 S715E708-S712 PolarHBondContact O-N 3.16Å; S709-S712 WeakPolarHBondContact O-CB 3.32Å; S709-S712 PolarHBondContact O-N 3.04Å; S709-S712 VanDerWaalsContact O-N 3.13Å; E710-S712 PolarHBondContact O-N 3.05Å; S712-S715 PolarHBondContact O-OG 3.35Å; S712-S715 VanDerWaalsContact O-OG 3.09Å
713R49.9Very low45.6Very low139 Ų13997.9 Ų97.953%0.52549%0.485SS..Hα-helixtrans-63.5-48.3168.3-85.4-175.265139.4-3111.7S709 E710 S715 N716 L717S709-R713 PolarHBondContact O-N 3.43Å; S709-R713 VanDerWaalsContact O-N 3.08Å; E710-R713 PolarHBondContact O-N 3.36Å; R713-S715 VanDerWaalsContact C-N 3.35Å; R713-S715 PolarHBondContact O-N 3.28Å; R713-N716 PolarHBondContact O-N 3.49Å; R713-L717 PolarHBondContact O-N 3.39Å
714Q49.2Very low46.3Very low14 Ų1493.3 Ų93.37%0.06547%0.465CS..Hα-helixtrans-70.4-25.1-176.7-71.5-1757.500112.9E710 L717 M718 S756 I786E710-Q714 HydrophobicContact CG-CG 4.11Å; E710-Q714 WeakPolarHBondContact O-CA 3.48Å; E710-Q714 WeakPolarHBondContact O-CB 3.31Å; E710-Q714 VanDerWaalsContact O-CG 3.23Å; E710-Q714 WeakPolarHBondContact O-CG 3.3Å; E710-Q714 PolarHBondContact O-N 3.12Å; E710-Q714 WeakPolarHBondContact OE1-CG 3.22Å; E710-Q714 PolarHBondContact OE1-NE2 3.41Å; Q714-L717 PolarHBondContact O-N 2.63Å; Q714-M718 WeakPolarHBondContact O-CA 3.45Å; Q714-M718 WeakPolarHBondContact O-CB 3.35Å; Q714-M718 WeakPolarHBondContact O-CG 3.3Å; Q714-M718 PolarHBondContact O-N 3.15Å; Q714-S756 PolarHBondContact NE2-OG 3.29Å; Q714-I786 VanDerWaalsContact OE1-CD1 3.26Å
715S51.3Low47.2Very low52 Ų5287.1 Ų87.136%0.36443%0.43SS..Hα-helixtrans-73.3-36.2174.254.20000111.7I711 S712 R713 N719I711-S715 WeakPolarHBondContact O-CA 3.37Å; I711-S715 WeakPolarHBondContact O-CB 3.23Å; I711-S715 PolarHBondContact O-N 3.08Å; I711-S715 PolarHBondContact O-OG 2.96Å; S712-S715 PolarHBondContact O-OG 3.35Å; S712-S715 VanDerWaalsContact O-OG 3.09Å; R713-S715 VanDerWaalsContact C-N 3.35Å; R713-S715 PolarHBondContact O-N 3.28Å; S715-N719 VanDerWaalsContact O-CB 3.27Å; S715-N719 WeakPolarHBondContact O-CB 3.23Å; S715-N719 PolarHBondContact O-N 2.93Å; S715-N719 PolarHBondContact O-ND2 3Å; S715-N719 VanDerWaalsContact O-ND2 3.14Å
716N54.7Low48Very low117 Ų11781.7 Ų81.763%0.62642%0.416SS*.Hα-helixtrans-67.5-41.7167.7-87.8-29.8000112.2R713 N719 L720R713-N716 PolarHBondContact O-N 3.49Å; N716-N719 PolarHBondContact O-N 2.7Å; N716-L720 WeakPolarHBondContact O-CB 3.29Å; N716-L720 PolarHBondContact O-N 3.42Å
717L52.7Low48.4Very low28 Ų2882.5 Ų82.515%0.14742%0.421CS..Hα-helixtrans-65.4-39.3174.7-108.1163.2000112.8R713 Q714 L720 Y721 I753R713-L717 PolarHBondContact O-N 3.39Å; Q714-L717 PolarHBondContact O-N 2.63Å; L717-L720 PolarHBondContact O-N 2.86Å; L717-Y721 HydrophobicContact CD2-CD2 4.05Å; L717-Y721 HydrophobicContact CD2-CE2 3.71Å; L717-Y721 WeakPolarHBondContact O-CB 3.22Å; L717-Y721 VanDerWaalsContact O-CD2 3.29Å; L717-Y721 WeakPolarHBondContact O-CD2 3.3Å; L717-Y721 PolarHBondContact O-N 2.84Å; L717-I753 HydrophobicContact CD2-CG2 4.06Å
718M54.8Low48.6Very low33 Ų3378.2 Ų78.216%0.16340%0.399CS..Hα-helixtrans-69-37173.2-75.2-67104.900110.9Q714 L720 Y721 R722 I759 V789Q714-M718 WeakPolarHBondContact O-CA 3.45Å; Q714-M718 WeakPolarHBondContact O-CB 3.35Å; Q714-M718 WeakPolarHBondContact O-CG 3.3Å; Q714-M718 PolarHBondContact O-N 3.15Å; M718-L720 VanDerWaalsContact C-N 3.32Å; M718-Y721 HydrophobicContact CE-CD2 4.03Å; M718-R722 WeakPolarHBondContact O-CA 3.37Å; M718-R722 WeakPolarHBondContact O-CB 3.5Å; M718-R722 PolarHBondContact O-N 3.39Å; M718-I759 HydrophobicContact CE-CD1 3.8Å; M718-V789 HydrophobicContact CE-CB 4.31Å; M718-V789 HydrophobicContact CE-CG1 4.18Å; M718-V789 HydrophobicContact CE-CG2 4.3Å; M718-V789 HydrophobicContact SD-CB 4.2Å; M718-V789 HydrophobicContact SD-CG2 3.63Å
719N56.1Low48.7Very low80 Ų8076.2 Ų76.243%0.42840%0.4SS..Hα-helixtrans-64.3-39.1171.2-76.6-29.3000111S715 N716 L723S715-N719 VanDerWaalsContact O-CB 3.27Å; S715-N719 WeakPolarHBondContact O-CB 3.23Å; S715-N719 PolarHBondContact O-N 2.93Å; S715-N719 PolarHBondContact O-ND2 3Å; S715-N719 VanDerWaalsContact O-ND2 3.14Å; N716-N719 PolarHBondContact O-N 2.7Å; N719-L723 VanDerWaalsContact O-CB 3.24Å; N719-L723 WeakPolarHBondContact O-CB 3.12Å; N719-L723 WeakPolarHBondContact O-CD1 3.31Å; N719-L723 WeakPolarHBondContact O-CG 3.39Å; N719-L723 PolarHBondContact O-N 2.9Å
720L54.6Low48.3Very low87 Ų8775 Ų7546%0.45539%0.391SS..Hα-helixtrans-66.5-47.4175.7-160.577.6000111.9N716 L717 M718 L723 Y724 I753N716-L720 WeakPolarHBondContact O-CB 3.29Å; N716-L720 PolarHBondContact O-N 3.42Å; L717-L720 PolarHBondContact O-N 2.86Å; M718-L720 VanDerWaalsContact C-N 3.32Å; L720-L723 PolarHBondContact O-N 3.42Å; L720-Y724 WeakPolarHBondContact O-CB 3.35Å; L720-Y724 PolarHBondContact O-N 2.86Å; L720-I753 HydrophobicContact CD2-CD1 4.03Å
721Y51Low48.5Very low37 Ų3775.8 Ų75.815%0.14540%0.395CS..Hα-helixtrans-66.4-38.5175.3-83.1-58.9000112.5L717 M718 Y724 F725 I750 I759L717-Y721 HydrophobicContact CD2-CD2 4.05Å; L717-Y721 HydrophobicContact CD2-CE2 3.71Å; L717-Y721 WeakPolarHBondContact O-CB 3.22Å; L717-Y721 VanDerWaalsContact O-CD2 3.29Å; L717-Y721 WeakPolarHBondContact O-CD2 3.3Å; L717-Y721 PolarHBondContact O-N 2.84Å; M718-Y721 HydrophobicContact CE-CD2 4.03Å; Y721-Y724 PolarHBondContact O-N 3.3Å; Y721-F725 HydrophobicContact CD1-CD2 4.2Å; Y721-F725 AromaticContact CD1-CE2 3.53Å; Y721-F725 HydrophobicContact CD1-CE2 3.53Å; Y721-F725 HydrophobicContact CD1-CZ 4.25Å; Y721-F725 HydrophobicContact CE1-CE2 4.22Å; Y721-F725 HydrophobicContact CG-CE2 4.27Å; Y721-F725 WeakPolarHBondContact O-CB 3.26Å; Y721-F725 VanDerWaalsContact O-CD2 3.23Å; Y721-F725 WeakPolarHBondContact O-CD2 3.34Å; Y721-F725 PolarHBondContact O-N 3.2Å; Y721-I750 HydrophobicContact CE1-CG2 3.82Å; Y721-I759 HydrophobicContact CE2-CD1 4.39Å
722R55.4Low48.9Very low175 Ų17574.6 Ų74.666%0.6639%0.389SS*.Hα-helixtrans-66-43.1175.7-171.3-178-155.6164.28.3110.5M718 S726M718-R722 WeakPolarHBondContact O-CA 3.37Å; M718-R722 WeakPolarHBondContact O-CB 3.5Å; M718-R722 PolarHBondContact O-N 3.39Å; R722-S726 WeakPolarHBondContact O-CB 3.01Å; R722-S726 PolarHBondContact O-N 2.84Å; R722-S726 PolarHBondContact O-OG 3.47Å
723L57.8Low48.3Very low111 Ų11178 Ų7858%0.58140%0.402SS*.Hα-helixtrans-61.5-44.2171-78.3166.5000111.3N719 L720 N727N719-L723 VanDerWaalsContact O-CB 3.24Å; N719-L723 WeakPolarHBondContact O-CB 3.12Å; N719-L723 WeakPolarHBondContact O-CD1 3.31Å; N719-L723 WeakPolarHBondContact O-CG 3.39Å; N719-L723 PolarHBondContact O-N 2.9Å; L720-L723 PolarHBondContact O-N 3.42Å; L723-N727 WeakPolarHBondContact O-CB 3.36Å; L723-N727 PolarHBondContact O-N 2.85Å; L723-N727 VanDerWaalsContact O-N 3.14Å; L723-N727 PolarHBondContact O-ND2 2.78Å
724Y47.1Very low47.4Very low51 Ų5178.3 Ų78.320%0.241%0.414CS..Hα-helixtrans-65.9-52.9-178.8-174.7-99.5000112.5L720 Y721 S726 N727 D728 P746 P747 I750L720-Y724 WeakPolarHBondContact O-CB 3.35Å; L720-Y724 PolarHBondContact O-N 2.86Å; Y721-Y724 PolarHBondContact O-N 3.3Å; Y724-S726 VanDerWaalsContact C-N 3.31Å; Y724-S726 PolarHBondContact O-N 3.36Å; Y724-N727 WeakPolarHBondContact O-CA 3.41Å; Y724-N727 WeakPolarHBondContact O-CB 3.43Å; Y724-N727 PolarHBondContact O-N 2.81Å; Y724-D728 PolarHBondContact O-N 3.45Å; Y724-P746 HydrophobicContact CE1-CB 4.23Å; Y724-P747 HydrophobicContact CD2-CG 4.29Å; Y724-P747 HydrophobicContact CE2-CG 3.4Å; Y724-P747 WeakPolarHBondContact OH-CD 3.24Å; Y724-I750 HydrophobicContact CD1-CD1 3.6Å; Y724-I750 HydrophobicContact CD2-CD1 3.81Å; Y724-I750 HydrophobicContact CE1-CD1 4.14Å; Y724-I750 HydrophobicContact CE2-CD1 4.34Å; Y724-I750 HydrophobicContact CG-CD1 3.45Å; Y724-I750 VanDerWaalsContact CG-CD1 3.45Å
725F48.7Very low46.6Very low34 Ų3483.3 Ų83.315%0.14944%0.437CS..Hα-helixtrans-74-17.5179.2-64.4-57.5000113.7Y721 N727 H731Y721-F725 HydrophobicContact CD1-CD2 4.2Å; Y721-F725 AromaticContact CD1-CE2 3.53Å; Y721-F725 HydrophobicContact CD1-CE2 3.53Å; Y721-F725 HydrophobicContact CD1-CZ 4.25Å; Y721-F725 HydrophobicContact CE1-CE2 4.22Å; Y721-F725 HydrophobicContact CG-CE2 4.27Å; Y721-F725 WeakPolarHBondContact O-CB 3.26Å; Y721-F725 VanDerWaalsContact O-CD2 3.23Å; Y721-F725 WeakPolarHBondContact O-CD2 3.34Å; Y721-F725 PolarHBondContact O-N 3.2Å; F725-N727 VanDerWaalsContact C-N 3.29Å; F725-H731 VanDerWaalsContact O-CB 3.26Å; F725-H731 WeakPolarHBondContact O-CB 3.46Å
726S52.2Low45.6Very low84 Ų8487 Ų8759%0.58744%0.444SS*.THydrogen-bonded Turntrans-81.4-7.7165.9-54.40000113.2R722 Y724R722-S726 WeakPolarHBondContact O-CB 3.01Å; R722-S726 PolarHBondContact O-N 2.84Å; R722-S726 PolarHBondContact O-OG 3.47Å; Y724-S726 VanDerWaalsContact C-N 3.31Å; Y724-S726 PolarHBondContact O-N 3.36Å
727N43.4Very low44.3Very low122 Ų12284.7 Ų84.765%0.65243%0.431SS*.SBendtrans-99.7-7.6172.3-74.4-34.8000112.6L723 Y724 F725 P729L723-N727 WeakPolarHBondContact O-CB 3.36Å; L723-N727 PolarHBondContact O-N 2.85Å; L723-N727 VanDerWaalsContact O-N 3.14Å; L723-N727 PolarHBondContact O-ND2 2.78Å; Y724-N727 WeakPolarHBondContact O-CA 3.41Å; Y724-N727 WeakPolarHBondContact O-CB 3.43Å; Y724-N727 PolarHBondContact O-N 2.81Å; F725-N727 VanDerWaalsContact C-N 3.29Å; N727-P729 WeakPolarHBondContact O-CD 3.14Å
728D39.7Very low43.3Very low17 Ų1788.5 Ų88.59%0.09145%0.452CS..SBendtrans-75.2115.6167.1-159.65.5000108Y724 S730 H731 S744Y724-D728 PolarHBondContact O-N 3.45Å; D728-S730 PolarHBondContact O-N 3.09Å; D728-S730 PolarHBondContact OD2-OG 3.32Å; D728-H731 PolarHBondContact O-N 3.41Å; D728-S744 PolarHBondContact OD1-OG 2.95Å; D728-S744 WeakPolarHBondContact OD2-CB 3.32Å; D728-S744 PolarHBondContact OD2-N 3.18Å; D728-S744 PolarHBondContact OD2-OG 2.99Å
729P35.5Very low42.4Very low118 Ų11892.4 Ų92.477%0.76647%0.473SS*.THydrogen-bonded Turntrans-66.8-4.4-168.1-22.935.1000115.4N727N727-P729 WeakPolarHBondContact O-CD 3.14Å
730S36.5Very low41.9Very low45 Ų4594.5 Ų94.532%0.31548%0.484SS..THydrogen-bonded Turntrans-79.9-14.1173.8550000113.6D728 N732D728-S730 PolarHBondContact O-N 3.09Å; D728-S730 PolarHBondContact OD2-OG 3.32Å; S730-N732 PolarHBondContact O-N 3.12Å; S730-N732 VanDerWaalsContact O-N 3.16Å
731H41.2Very low41.5Very low80 Ų8095.3 Ų95.337%0.3749%0.493SS..  trans-86.494.7-170.3-124.5-94.8000115.5F725 D728 Q792F725-H731 VanDerWaalsContact O-CB 3.26Å; F725-H731 WeakPolarHBondContact O-CB 3.46Å; D728-H731 PolarHBondContact O-N 3.41Å; H731-Q792 PolarHBondContact CE1-NE2 3.28Å; H731-Q792 VanDerWaalsContact CE1-NE2 3.25Å; H731-Q792 PolarHBondContact CE1-OE1 3.4Å; H731-Q792 WeakPolarHBondContact NE2-CG 3.35Å; H731-Q792 PolarHBondContact NE2-NE2 2.94Å; H731-Q792 PolarHBondContact NE2-OE1 2.9Å
732N49.6Very low41.2Very low68 Ų68104 Ų10436%0.36453%0.527SS..  41.298.8122.9-63.2-66.9000117.8S730 H735S730-N732 PolarHBondContact O-N 3.12Å; S730-N732 VanDerWaalsContact O-N 3.16Å; N732-H735 PolarHBondContact OD1-N 2.97Å
733N34.1Very low40.7Very low146 Ų14698 Ų9878%0.78151%0.511SS*.SBendcis47.673.7-7-85.5-15.9000117.2
734N30.1Very low40.1Very low146 Ų14694.8 Ų94.878%0.78150%0.498SS*.SBendtrans49.898.1168.5-61.7-12.3000116
735H32.7Very low40.2Very low119 Ų11997.5 Ų97.555%0.55152%0.522SS*.  -164.9110.2122.6-101.8-48.8000113.6N732 N737N732-H735 PolarHBondContact OD1-N 2.97Å; H735-N737 HydrophobicContact CB-CB 4Å; H735-N737 VanDerWaalsContact CB-N 3.27Å; H735-N737 PolarHBondContact CE1-OD1 3.43Å; H735-N737 VanDerWaalsContact ND1-CB 3.32Å; H735-N737 WeakPolarHBondContact ND1-CB 3.24Å; H735-N737 PolarHBondContact ND1-N 2.61Å; H735-N737 PolarHBondContact ND1-OD1 3.01Å; H735-N737 PolarHBondContact O-N 3.14Å
736Y29.2Very low39.9Very low130 Ų13098.9 Ų98.951%0.5153%0.534SS..  -71.286.3120.5-104.3-68.9000105.5N810 K813Y736-N810 PolarHBondContact OH-OD1 2.67Å; Y736-K813 HydrophobicContact CE2-CD 3.93Å; Y736-K813 VanDerWaalsContact OH-CD 3.26Å; Y736-K813 WeakPolarHBondContact OH-CD 3.48Å; Y736-K813 PolarHBondContact OH-NZ 3.41Å
737N27.7Very low39.6Very low68 Ų6896.7 Ų96.736%0.36452%0.518SS..  trans-121.7137.6143.8-97.729.1000105.6H735 D739H735-N737 HydrophobicContact CB-CB 4Å; H735-N737 VanDerWaalsContact CB-N 3.27Å; H735-N737 PolarHBondContact CE1-OD1 3.43Å; H735-N737 VanDerWaalsContact ND1-CB 3.32Å; H735-N737 WeakPolarHBondContact ND1-CB 3.24Å; H735-N737 PolarHBondContact ND1-N 2.61Å; H735-N737 PolarHBondContact ND1-OD1 3.01Å; H735-N737 PolarHBondContact O-N 3.14Å; N737-D739 HydrophobicContact CB-CB 3.86Å; N737-D739 PolarHBondContact ND2-OD2 2.97Å; N737-D739 PolarHBondContact O-N 3.19Å
738N32.9Very low39.5Very low107 Ų10794.9 Ų94.957%0.57252%0.52SS*.  trans-70.473.6147-67.2-37000107.2E806N738-E806 PolarHBondContact ND2-OE1 3.17Å
739D34.8Very low39.8Very low115 Ų115100 Ų10062%0.61554%0.543SS*.  trans-146.6142.6169.9-86.5-51.9000112.1N737N737-D739 HydrophobicContact CB-CB 3.86Å; N737-D739 PolarHBondContact ND2-OD2 2.97Å; N737-D739 PolarHBondContact O-N 3.19Å
740L46.5Very low40.4Very low124 Ų12495.3 Ų95.365%0.64951%0.511SS*.  trans-77.3120.8-174.4-78.747.5000110.6
741T45.8Very low40.5Very low105 Ų10597.4 Ų97.464%0.64453%0.526SS*.  trans-116.1138.1158.735.60000109.5C743T741-C743 PolarHBondContact O-N 3.25Å; T741-C743 VanDerWaalsContact O-N 3.16Å
742Y45Very low40.6Very low218 Ų21898.3 Ų98.386%0.85554%0.541SS*.  trans-69.2114.4-169.5-141.8-96.3000110.3S744Y742-S744 PolarHBondContact O-N 3.41Å
743C44.7Very low40.1Very low49 Ų4998.4 Ų98.433%0.33154%0.541SS..  trans-75.4113.5179.2175.40000109.4T741 C796T741-C743 PolarHBondContact O-N 3.25Å; T741-C743 VanDerWaalsContact O-N 3.16Å; C743-C796 HydrophobicContact CB-CB 3.65Å; C743-C796 WeakPolarHBondContact CB-SG 3.5Å; C743-C796 WeakPolarHBondContact SG-CB 3.46Å; C743-C796 CovalentContact SG-SG 2.04Å; C743-C796 PolarHBondContact SG-SG 3.39Å
744S44.8Very low40.7Very low45 Ų4597.7 Ų97.732%0.31553%0.533SS..PPolyproline II helixtrans-62132.8179.1-62.40000110.1D728 Y742D728-S744 PolarHBondContact OD1-OG 2.95Å; D728-S744 WeakPolarHBondContact OD2-CB 3.32Å; D728-S744 PolarHBondContact OD2-N 3.18Å; D728-S744 PolarHBondContact OD2-OG 2.99Å; Y742-S744 PolarHBondContact O-N 3.41Å
745P48.3Very low41.8Very low108 Ų10899.2 Ų99.270%0.70153%0.529SS*.PPolyproline II helixtrans-57.2131.4171.7-2433.8000110
746P44.2Very low43.4Very low62 Ų6294 Ų9440%0.40351%0.506SS..PPolyproline II helixtrans-61.1147.9175.527.1-34.5000109.6Y724 I750Y724-P746 HydrophobicContact CE1-CB 4.23Å; P746-I750 HydrophobicContact CB-CB 4.1Å; P746-I750 HydrophobicContact CB-CD1 4.2Å; P746-I750 HydrophobicContact CB-CG2 3.97Å
747P45.7Very low45.8Very low38 Ų3892.3 Ų92.325%0.24751%0.511CS..PPolyproline II helixtrans-72.5160.2-167.9-9.928.8000109.7Y724 H749 I750Y724-P747 HydrophobicContact CD2-CG 4.29Å; Y724-P747 HydrophobicContact CE2-CG 3.4Å; Y724-P747 WeakPolarHBondContact OH-CD 3.24Å; P747-H749 PolarHBondContact O-N 3.25Å; P747-I750 PolarHBondContact O-N 2.95Å
748A41.4Very low48.4Very low85 Ų8591.2 Ų91.270%0.70251%0.505SS*.THydrogen-bonded Turntrans-54.8-17.9-177.500000115.1S751A748-S751 WeakPolarHBondContact O-CB 3.38Å
749H45.1Very low50.8Low124 Ų12486.7 Ų86.757%0.57448%0.48SS*.THydrogen-bonded Turntrans-79.4-24.8173.260-109.8000114.2P747 I753P747-H749 PolarHBondContact O-N 3.25Å; H749-I753 WeakPolarHBondContact O-CG1 3.32Å
750I48.3Very low53Low19 Ų1983.5 Ų83.510%0.09746%0.464CS..G310 helixtrans-76.6-28.6173.1-67.3-175000110.8Y721 Y724 P746 P747 S752 I753Y721-I750 HydrophobicContact CE1-CG2 3.82Å; Y724-I750 HydrophobicContact CD1-CD1 3.6Å; Y724-I750 HydrophobicContact CD2-CD1 3.81Å; Y724-I750 HydrophobicContact CE1-CD1 4.14Å; Y724-I750 HydrophobicContact CE2-CD1 4.34Å; Y724-I750 HydrophobicContact CG-CD1 3.45Å; Y724-I750 VanDerWaalsContact CG-CD1 3.45Å; P746-I750 HydrophobicContact CB-CB 4.1Å; P746-I750 HydrophobicContact CB-CD1 4.2Å; P746-I750 HydrophobicContact CB-CG2 3.97Å; P747-I750 PolarHBondContact O-N 2.95Å; I750-S752 PolarHBondContact O-N 3.1Å; I750-I753 PolarHBondContact O-N 3.31Å
751S39.5Very low54.8Low89 Ų8982 Ų8262%0.62245%0.453SS*.G310 helixtrans-54.8-19.5174.7-47.60000114.3A748A748-S751 WeakPolarHBondContact O-CB 3.38Å
752S42.8Very low56.6Low99 Ų9977 Ų7769%0.69242%0.422SS*.G310 helixtrans-105.3-8.3-175.4-55.90000114.5I750 Q754I750-S752 PolarHBondContact O-N 3.1Å; S752-Q754 PolarHBondContact O-N 3.15Å
753I39.4Very low58.5Low70 Ų7066.7 Ų66.736%0.35938%0.382SS..SBendtrans-9878-171.7-53.9175.7000110.5L717 L720 H749 I750 Y755L717-I753 HydrophobicContact CD2-CG2 4.06Å; L720-I753 HydrophobicContact CD2-CD1 4.03Å; H749-I753 WeakPolarHBondContact O-CG1 3.32Å; I750-I753 PolarHBondContact O-N 3.31Å; I753-Y755 PolarHBondContact O-N 3.28Å
754Q45.1Very low60.3Low132 Ų13268.7 Ų68.762%0.61739%0.39SS*.  trans22.789.6160.8-66.6-172.3-20.800117S752 S756S752-Q754 PolarHBondContact O-N 3.15Å; Q754-S756 PolarHBondContact O-N 3.1Å
755Y53.7Low62.1Low178 Ų17869.6 Ų69.670%0.69839%0.386SS*.  trans-19113.7152.7-66.9-84.2000114.6I753 N760I753-Y755 PolarHBondContact O-N 3.28Å; Y755-N760 WeakPolarHBondContact CD1-ND2 3.47Å; Y755-N760 VanDerWaalsContact CD1-OD1 3.32Å; Y755-N760 WeakPolarHBondContact CD1-OD1 3.44Å
756S67.4Low63.7Low9 Ų964.4 Ų64.46%0.06335%0.353CS..  trans-69.5128.6163.1167.20000108.9Q714 Q754 I758 I759 N760Q714-S756 PolarHBondContact NE2-OG 3.29Å; Q754-S756 PolarHBondContact O-N 3.1Å; S756-I758 PolarHBondContact O-N 3.11Å; S756-I758 PolarHBondContact OG-N 3.12Å; S756-I759 PolarHBondContact O-N 3.03Å; S756-I759 VanDerWaalsContact O-N 3.15Å; S756-I759 PolarHBondContact OG-N 3.31Å; S756-N760 PolarHBondContact O-N 2.91Å; S756-N760 VanDerWaalsContact O-N 3.08Å
757P79.3Confident65.4Low94 Ų9463.6 Ų63.661%0.6135%0.347SS*.Hα-helixtrans-57-31.7175.6-25.534.8000112.9Q761P757-Q761 VanDerWaalsContact O-CB 3.3Å; P757-Q761 WeakPolarHBondContact O-CB 3.29Å; P757-Q761 PolarHBondContact O-N 3.35Å
758I81.7Confident66.9Low46 Ų4665.6 Ų65.624%0.23636%0.355CS..Hα-helixtrans-74.6-40.4179.8-52.7177.8000110.6S756 N760 Q761 I762 F779 N783 I786S756-I758 PolarHBondContact O-N 3.11Å; S756-I758 PolarHBondContact OG-N 3.12Å; I758-N760 VanDerWaalsContact C-N 3.33Å; I758-N760 PolarHBondContact O-N 3.32Å; I758-Q761 PolarHBondContact O-N 3.2Å; I758-I762 HydrophobicContact CG2-CD1 3.81Å; I758-I762 HydrophobicContact CG2-CG1 4.36Å; I758-I762 WeakPolarHBondContact O-CB 3.45Å; I758-I762 WeakPolarHBondContact O-CD1 3.4Å; I758-I762 WeakPolarHBondContact O-CG1 3.09Å; I758-I762 PolarHBondContact O-N 2.97Å; I758-F779 HydrophobicContact CG2-CZ 4.45Å; I758-N783 HydrophobicContact CG2-CB 4.43Å; I758-I786 HydrophobicContact CB-CD1 4.28Å; I758-I786 HydrophobicContact CD1-CD1 4.36Å; I758-I786 HydrophobicContact CG2-CD1 3.77Å; I758-I786 HydrophobicContact CG2-CG2 4.33Å
759I83.1Confident68.4Low11 Ų1167.2 Ų67.26%0.05636%0.361CS..Hα-helixtrans-58.9-48.2172.8-67.2174.7000109.6M718 Y721 S756 I762 L763 I786M718-I759 HydrophobicContact CE-CD1 3.8Å; Y721-I759 HydrophobicContact CE2-CD1 4.39Å; S756-I759 PolarHBondContact O-N 3.03Å; S756-I759 VanDerWaalsContact O-N 3.15Å; S756-I759 PolarHBondContact OG-N 3.31Å; I759-I762 PolarHBondContact O-N 3.43Å; I759-L763 VanDerWaalsContact O-CB 3.28Å; I759-L763 WeakPolarHBondContact O-CB 3.37Å; I759-L763 PolarHBondContact O-N 2.9Å; I759-I786 HydrophobicContact CB-CG2 4.45Å; I759-I786 HydrophobicContact CD1-CG2 4.5Å; I759-I786 HydrophobicContact CG1-CG2 3.46Å; I759-I786 VanDerWaalsContact CG1-CG2 3.46Å
760N81.6Confident69.9Low49 Ų4963.4 Ų63.426%0.26235%0.348SS..Hα-helixtrans-59.4-50177.1-73.8-6.8000111.6Y755 S756 I758 I762 L763 D764Y755-N760 WeakPolarHBondContact CD1-ND2 3.47Å; Y755-N760 VanDerWaalsContact CD1-OD1 3.32Å; Y755-N760 WeakPolarHBondContact CD1-OD1 3.44Å; S756-N760 PolarHBondContact O-N 2.91Å; S756-N760 VanDerWaalsContact O-N 3.08Å; I758-N760 VanDerWaalsContact C-N 3.33Å; I758-N760 PolarHBondContact O-N 3.32Å; N760-I762 VanDerWaalsContact C-N 3.27Å; N760-I762 PolarHBondContact O-N 2.88Å; N760-L763 CarbonylContact O-C 3.56Å; N760-L763 WeakPolarHBondContact O-CB 3.44Å; N760-L763 PolarHBondContact O-N 2.93Å; N760-D764 WeakPolarHBondContact O-CB 3.47Å; N760-D764 PolarHBondContact O-N 3.09Å
761Q84.3Confident71.2Confident91 Ų9170.2 Ų70.243%0.42538%0.384SS..Hα-helixtrans-61.4-32.9-179.4-172.8172.352.700113.3P757 I758 R765 F779P757-Q761 VanDerWaalsContact O-CB 3.3Å; P757-Q761 WeakPolarHBondContact O-CB 3.29Å; P757-Q761 PolarHBondContact O-N 3.35Å; I758-Q761 PolarHBondContact O-N 3.2Å; Q761-R765 WeakPolarHBondContact O-CD 3.19Å; Q761-R765 VanDerWaalsContact O-CG 3.27Å; Q761-R765 WeakPolarHBondContact O-CG 3.45Å; Q761-R765 PolarHBondContact O-N 3.37Å; Q761-F779 HydrophobicContact CB-CZ 4.13Å; Q761-F779 HydrophobicContact CG-CE1 4.05Å; Q761-F779 HydrophobicContact CG-CE2 4.5Å; Q761-F779 HydrophobicContact CG-CZ 3.68Å
762I83.7Confident73.2Confident0 Ų067.4 Ų67.40%036%0.362CS..Hα-helixtrans-71.5-46.3171.3-67164.4000110.4I758 I759 N760 D764 R765 L766 F779 F780 N783 I786 T787 A790I758-I762 HydrophobicContact CG2-CD1 3.81Å; I758-I762 HydrophobicContact CG2-CG1 4.36Å; I758-I762 WeakPolarHBondContact O-CB 3.45Å; I758-I762 WeakPolarHBondContact O-CD1 3.4Å; I758-I762 WeakPolarHBondContact O-CG1 3.09Å; I758-I762 PolarHBondContact O-N 2.97Å; I759-I762 PolarHBondContact O-N 3.43Å; N760-I762 VanDerWaalsContact C-N 3.27Å; N760-I762 PolarHBondContact O-N 2.88Å; I762-D764 VanDerWaalsContact C-N 3.3Å; I762-D764 PolarHBondContact O-N 2.81Å; I762-R765 PolarHBondContact O-N 2.96Å; I762-L766 HydrophobicContact CG2-CD1 3.81Å; I762-L766 HydrophobicContact CG2-CG 4.3Å; I762-L766 WeakPolarHBondContact O-CB 3.43Å; I762-L766 VanDerWaalsContact O-CG 3.27Å; I762-L766 WeakPolarHBondContact O-CG 3.49Å; I762-L766 PolarHBondContact O-N 3.41Å; I762-F779 HydrophobicContact CB-CE1 4.41Å; I762-F779 HydrophobicContact CG1-CD1 4.27Å; I762-F779 HydrophobicContact CG1-CE1 3.44Å; I762-F779 VanDerWaalsContact CG1-CE1 3.44Å; I762-F779 HydrophobicContact CG1-CZ 4.06Å; I762-F780 HydrophobicContact CB-CE1 4.41Å; I762-F780 HydrophobicContact CG2-CD1 3.98Å; I762-F780 HydrophobicContact CG2-CE1 3.77Å; I762-N783 HydrophobicContact CD1-CB 3.84Å; I762-I786 HydrophobicContact CD1-CB 3.79Å; I762-I786 HydrophobicContact CD1-CG2 3.6Å; I762-T787 HydrophobicContact CG2-CG2 4.1Å; I762-A790 HydrophobicContact CB-CB 3.98Å; I762-A790 HydrophobicContact CG2-CB 3.35Å
763L83.7Confident75Confident2 Ų265.9 Ų65.91%0.0135%0.349CS..Hα-helixtrans-62.2-38.4-179.4-15275.4000111.5I759 N760 L766 T767 A790 Q793 A794 R797I759-L763 VanDerWaalsContact O-CB 3.28Å; I759-L763 WeakPolarHBondContact O-CB 3.37Å; I759-L763 PolarHBondContact O-N 2.9Å; N760-L763 CarbonylContact O-C 3.56Å; N760-L763 WeakPolarHBondContact O-CB 3.44Å; N760-L763 PolarHBondContact O-N 2.93Å; L763-L766 PolarHBondContact O-N 2.97Å; L763-T767 HydrophobicContact CG-CG2 4.46Å; L763-T767 VanDerWaalsContact O-CB 3.26Å; L763-T767 WeakPolarHBondContact O-CB 3.49Å; L763-T767 WeakPolarHBondContact O-CG2 3.45Å; L763-T767 PolarHBondContact O-N 3.12Å; L763-T767 PolarHBondContact O-OG1 3.05Å; L763-A790 HydrophobicContact CD1-CB 4.21Å; L763-A790 VanDerWaalsContact CD1-O 3.24Å; L763-A790 WeakPolarHBondContact CD1-O 3.41Å; L763-Q793 HydrophobicContact CD1-CB 3.84Å; L763-Q793 HydrophobicContact CD1-CG 3.92Å; L763-Q793 HydrophobicContact CD2-CG 4.18Å; L763-A794 HydrophobicContact CD1-CB 3.87Å; L763-R797 VanDerWaalsContact CD2-CZ 3.5Å
764D82.4Confident77Confident92 Ų9268.8 Ų68.849%0.49236%0.36SS..Hα-helixtrans-65.4-52.5175.5-64.5-23.6000110.1N760 I762 L766 T767 D768N760-D764 WeakPolarHBondContact O-CB 3.47Å; N760-D764 PolarHBondContact O-N 3.09Å; I762-D764 VanDerWaalsContact C-N 3.3Å; I762-D764 PolarHBondContact O-N 2.81Å; D764-L766 VanDerWaalsContact C-N 3.26Å; D764-L766 PolarHBondContact O-N 3.11Å; D764-T767 PolarHBondContact O-N 3.39Å; D764-T767 VanDerWaalsContact O-N 3.07Å; D764-T767 PolarHBondContact O-OG1 2.89Å; D764-D768 WeakPolarHBondContact O-CB 3.33Å; D764-D768 PolarHBondContact O-N 2.93Å
765R84.5Confident78.9Confident63 Ų6368 Ų6824%0.23836%0.361CS..Hα-helixtrans-58.9-33.8175.8-69.2169.9-175.7-112.113.7113.5Q761 I762 D776 F779 F780 K804Q761-R765 WeakPolarHBondContact O-CD 3.19Å; Q761-R765 VanDerWaalsContact O-CG 3.27Å; Q761-R765 WeakPolarHBondContact O-CG 3.45Å; Q761-R765 PolarHBondContact O-N 3.37Å; I762-R765 PolarHBondContact O-N 2.96Å; R765-D776 WeakPolarHBondContact CD-OD1 3.29Å; R765-D776 WeakPolarHBondContact CG-OD1 3.47Å; R765-D776 IonicContact CZ-OD1 3.59Å; R765-D776 IonicContact NE-OD1 3.74Å; R765-D776 IonicContact NH1-OD1 2.69Å; R765-D776 PolarHBondContact NH1-OD1 3.44Å; R765-F779 VanDerWaalsContact CD-CD1 3.45Å; R765-F780 HydrophobicContact CB-CE1 4.07Å; R765-F780 HydrophobicContact CB-CZ 3.65Å; R765-K804 PolarHBondContact O-NZ 2.69Å
766L81.8Confident80.4Confident0 Ų060.2 Ų60.20%033%0.331CS..Hα-helixtrans-73.4-37.1174.2-72.8173.7000112.9I762 L763 D764 F780 A790 I791 A794 I801 K804 I805 V808I762-L766 HydrophobicContact CG2-CD1 3.81Å; I762-L766 HydrophobicContact CG2-CG 4.3Å; I762-L766 WeakPolarHBondContact O-CB 3.43Å; I762-L766 VanDerWaalsContact O-CG 3.27Å; I762-L766 WeakPolarHBondContact O-CG 3.49Å; I762-L766 PolarHBondContact O-N 3.41Å; L763-L766 PolarHBondContact O-N 2.97Å; D764-L766 VanDerWaalsContact C-N 3.26Å; D764-L766 PolarHBondContact O-N 3.11Å; L766-F780 HydrophobicContact CD2-CE1 4.18Å; L766-F780 HydrophobicContact CD2-CE2 4.41Å; L766-F780 HydrophobicContact CD2-CZ 3.9Å; L766-F780 HydrophobicContact CG-CE1 4.02Å; L766-F780 HydrophobicContact CG-CZ 4.03Å; L766-A790 HydrophobicContact CD1-CB 4.28Å; L766-I791 HydrophobicContact CD1-CG1 3.82Å; L766-I791 HydrophobicContact CD2-CG1 4.39Å; L766-A794 HydrophobicContact CB-CB 4.26Å; L766-A794 HydrophobicContact CD1-CB 4.14Å; L766-I801 WeakPolarHBondContact O-CG2 3.35Å; L766-K804 WeakPolarHBondContact O-CD 3.37Å; L766-I805 HydrophobicContact CD2-CG1 4.28Å; L766-V808 HydrophobicContact CD2-CG2 4.03Å
767T78.5Confident81.2Confident45 Ų4560.8 Ų60.828%0.27633%0.334SS..Hα-helixtrans-90.5-19.3-175.460.30000114.5L763 D764 I801L763-T767 HydrophobicContact CG-CG2 4.46Å; L763-T767 VanDerWaalsContact O-CB 3.26Å; L763-T767 WeakPolarHBondContact O-CB 3.49Å; L763-T767 WeakPolarHBondContact O-CG2 3.45Å; L763-T767 PolarHBondContact O-N 3.12Å; L763-T767 PolarHBondContact O-OG1 3.05Å; D764-T767 PolarHBondContact O-N 3.39Å; D764-T767 VanDerWaalsContact O-N 3.07Å; D764-T767 PolarHBondContact O-OG1 2.89Å; T767-I801 HydrophobicContact CG2-CD1 3.52Å
768D78.5Confident81.4Confident80 Ų8062.1 Ų62.143%0.42833%0.332SS..SBendtrans-57.4144.7171.3178.911000111.4D764 S770 K804D764-D768 WeakPolarHBondContact O-CB 3.33Å; D764-D768 PolarHBondContact O-N 2.93Å; D768-S770 VanDerWaalsContact C-N 3.35Å; D768-S770 PolarHBondContact OD1-N 3.31Å; D768-S770 WeakPolarHBondContact OD2-CB 3.42Å; D768-S770 PolarHBondContact OD2-OG 3.18Å; D768-K804 WeakPolarHBondContact O-CE 3.45Å; D768-K804 PolarHBondContact O-NZ 2.79Å
769S72.8Confident81.6Confident119 Ų11961.4 Ų61.483%0.83233%0.328SS*.SBendtrans-84.9-4.1178.4570000114.2
770S76.6Confident81.8Confident43 Ų4361 Ų6130%0.30133%0.325SS..SBendtrans-50.4157.4169.260.30000114D768 K804D768-S770 VanDerWaalsContact C-N 3.35Å; D768-S770 PolarHBondContact OD1-N 3.31Å; D768-S770 WeakPolarHBondContact OD2-CB 3.42Å; D768-S770 PolarHBondContact OD2-OG 3.18Å; S770-K804 WeakPolarHBondContact O-CE 3.3Å; S770-K804 PolarHBondContact O-NZ 3.03Å; S770-K804 PolarHBondContact OG-NZ 3.44Å
771L74.9Confident81.9Confident162 Ų16261.7 Ų61.785%0.84833%0.328SS*.  trans-72143.9163.3-71.5173.8000110.1T773L771-T773 PolarHBondContact O-N 2.87Å
772L81Confident82Confident30 Ų3064.4 Ų64.416%0.15734%0.339CS..  trans-63.8114179.6-150.477.1000110.1D776 V777 F780 K804 I807 V808L772-D776 HydrophobicContact CD1-CB 4.45Å; L772-D776 HydrophobicContact CG-CB 4.36Å; L772-V777 HydrophobicContact CD2-CG2 3.64Å; L772-V777 HydrophobicContact CG-CG2 4.13Å; L772-F780 HydrophobicContact CD1-CE2 3.79Å; L772-F780 HydrophobicContact CG-CE2 4.48Å; L772-K804 HydrophobicContact CD1-CD 4.21Å; L772-K804 HydrophobicContact CD1-CG 4.22Å; L772-I807 HydrophobicContact CD2-CB 4.36Å; L772-I807 HydrophobicContact CD2-CG2 3.69Å; L772-V808 HydrophobicContact CD1-CG2 3.88Å; L772-V808 HydrophobicContact CD2-CG2 3.66Å; L772-V808 HydrophobicContact CG-CG2 4.39Å
773T82Confident81.9Confident67 Ų6765.7 Ų65.741%0.41135%0.346SS..  trans-80.6165.9179.768.30000111.7L771 D775 D776 V777L771-T773 PolarHBondContact O-N 2.87Å; T773-D775 VanDerWaalsContact C-N 3.29Å; T773-D775 PolarHBondContact O-N 3.33Å; T773-D776 WeakPolarHBondContact CB-OD2 3.48Å; T773-D776 PolarHBondContact N-OD2 3.1Å; T773-D776 WeakPolarHBondContact O-CB 3.45Å; T773-D776 PolarHBondContact O-N 2.76Å; T773-D776 PolarHBondContact OG1-N 3Å; T773-D776 PolarHBondContact OG1-OD2 2.76Å; T773-V777 PolarHBondContact O-N 2.74Å; T773-V777 VanDerWaalsContact O-N 3.15Å
774H80.8Confident81.8Confident131 Ų13169.2 Ų69.261%0.60636%0.361SS*.Hα-helixtrans-61.3-42.6172.7-171.915.2000111D776 V777 E778H774-D776 VanDerWaalsContact C-N 3.3Å; H774-D776 PolarHBondContact O-N 3.43Å; H774-V777 PolarHBondContact O-N 3.2Å; H774-V777 VanDerWaalsContact O-N 3.08Å; H774-E778 PolarHBondContact O-N 2.98Å
775D85.5Confident81.6Confident117 Ų11770 Ų7063%0.62636%0.361SS*.Hα-helixtrans-60.6-34.8176-57.827.4000112.4T773 F779T773-D775 VanDerWaalsContact C-N 3.29Å; T773-D775 PolarHBondContact O-N 3.33Å; D775-F779 WeakPolarHBondContact O-CB 3.26Å; D775-F779 PolarHBondContact O-N 3.3Å
776D85.3Confident81.5Confident13 Ų1367.9 Ų67.97%0.0736%0.355CS..Hα-helixtrans-65.1-47.5170.9-66.7-52.9000111R765 L772 T773 H774 E778 F779 F780R765-D776 WeakPolarHBondContact CD-OD1 3.29Å; R765-D776 WeakPolarHBondContact CG-OD1 3.47Å; R765-D776 IonicContact CZ-OD1 3.59Å; R765-D776 IonicContact NE-OD1 3.74Å; R765-D776 IonicContact NH1-OD1 2.69Å; R765-D776 PolarHBondContact NH1-OD1 3.44Å; L772-D776 HydrophobicContact CD1-CB 4.45Å; L772-D776 HydrophobicContact CG-CB 4.36Å; T773-D776 WeakPolarHBondContact CB-OD2 3.48Å; T773-D776 PolarHBondContact N-OD2 3.1Å; T773-D776 WeakPolarHBondContact O-CB 3.45Å; T773-D776 PolarHBondContact O-N 2.76Å; T773-D776 PolarHBondContact OG1-N 3Å; T773-D776 PolarHBondContact OG1-OD2 2.76Å; H774-D776 VanDerWaalsContact C-N 3.3Å; H774-D776 PolarHBondContact O-N 3.43Å; D776-E778 PolarHBondContact O-N 3.32Å; D776-F779 WeakPolarHBondContact O-CB 3.22Å; D776-F779 PolarHBondContact O-N 3.11Å; D776-F779 VanDerWaalsContact O-N 3.17Å; D776-F780 HydrophobicContact CB-CD2 4.32Å; D776-F780 HydrophobicContact CB-CE2 3.77Å; D776-F780 HydrophobicContact CB-CZ 4.4Å; D776-F780 WeakPolarHBondContact O-CD2 3.4Å; D776-F780 WeakPolarHBondContact O-CG 3.21Å; D776-F780 PolarHBondContact O-N 3.08Å
777V83.8Confident81.7Confident22 Ų2267.9 Ų67.913%0.13336%0.355CS..Hα-helixtrans-62-43.8179176.20000111.1L772 T773 H774 F780 I781 Q811L772-V777 HydrophobicContact CD2-CG2 3.64Å; L772-V777 HydrophobicContact CG-CG2 4.13Å; T773-V777 PolarHBondContact O-N 2.74Å; T773-V777 VanDerWaalsContact O-N 3.15Å; H774-V777 PolarHBondContact O-N 3.2Å; H774-V777 VanDerWaalsContact O-N 3.08Å; V777-F780 PolarHBondContact O-N 3.26Å; V777-I781 HydrophobicContact CG1-CD1 3.79Å; V777-I781 HydrophobicContact CG1-CG1 4.49Å; V777-I781 WeakPolarHBondContact O-CB 3.41Å; V777-I781 VanDerWaalsContact O-CG1 3.26Å; V777-I781 WeakPolarHBondContact O-CG1 3.49Å; V777-I781 PolarHBondContact O-N 3.28Å; V777-Q811 HydrophobicContact CG1-CB 4.21Å; V777-Q811 HydrophobicContact CG1-CG 4.38Å
778E82.2Confident81.8Confident121 Ų12169.4 Ų69.457%0.56536%0.358SS*.Hα-helixtrans-62.9-41.1172.8-70.1-146.6145.500112.2H774 D776 F780 I781 K782H774-E778 PolarHBondContact O-N 2.98Å; D776-E778 PolarHBondContact O-N 3.32Å; E778-F780 PolarHBondContact O-N 2.85Å; E778-I781 PolarHBondContact O-N 3Å; E778-K782 VanDerWaalsContact O-CB 3.23Å; E778-K782 WeakPolarHBondContact O-CB 3.37Å; E778-K782 PolarHBondContact O-N 3Å
779F85.9Confident81.7Confident32 Ų3267.1 Ų67.114%0.1435%0.346CS..Hα-helixtrans-63.9-38.4177.1178.6-101.3000112.4I758 Q761 I762 R765 D775 D776 N783I758-F779 HydrophobicContact CG2-CZ 4.45Å; Q761-F779 HydrophobicContact CB-CZ 4.13Å; Q761-F779 HydrophobicContact CG-CE1 4.05Å; Q761-F779 HydrophobicContact CG-CE2 4.5Å; Q761-F779 HydrophobicContact CG-CZ 3.68Å; I762-F779 HydrophobicContact CB-CE1 4.41Å; I762-F779 HydrophobicContact CG1-CD1 4.27Å; I762-F779 HydrophobicContact CG1-CE1 3.44Å; I762-F779 VanDerWaalsContact CG1-CE1 3.44Å; I762-F779 HydrophobicContact CG1-CZ 4.06Å; R765-F779 VanDerWaalsContact CD-CD1 3.45Å; D775-F779 WeakPolarHBondContact O-CB 3.26Å; D775-F779 PolarHBondContact O-N 3.3Å; D776-F779 WeakPolarHBondContact O-CB 3.22Å; D776-F779 PolarHBondContact O-N 3.11Å; D776-F779 VanDerWaalsContact O-N 3.17Å; F779-N783 WeakPolarHBondContact CD2-ND2 3.41Å; F779-N783 WeakPolarHBondContact CE2-ND2 3.34Å; F779-N783 WeakPolarHBondContact O-CB 3.44Å; F779-N783 PolarHBondContact O-N 3Å; F779-N783 VanDerWaalsContact O-N 3.08Å; F779-N783 PolarHBondContact O-ND2 3.02Å
780F87.3Confident82.2Confident2 Ų261.4 Ų61.41%0.00931%0.307CS..Hα-helixtrans-69.6-42.6174.3-64.7-43.3000112.5I762 R765 L766 L772 D776 V777 E778 N783 F784 T787 V808I762-F780 HydrophobicContact CB-CE1 4.41Å; I762-F780 HydrophobicContact CG2-CD1 3.98Å; I762-F780 HydrophobicContact CG2-CE1 3.77Å; R765-F780 HydrophobicContact CB-CE1 4.07Å; R765-F780 HydrophobicContact CB-CZ 3.65Å; L766-F780 HydrophobicContact CD2-CE1 4.18Å; L766-F780 HydrophobicContact CD2-CE2 4.41Å; L766-F780 HydrophobicContact CD2-CZ 3.9Å; L766-F780 HydrophobicContact CG-CE1 4.02Å; L766-F780 HydrophobicContact CG-CZ 4.03Å; L772-F780 HydrophobicContact CD1-CE2 3.79Å; L772-F780 HydrophobicContact CG-CE2 4.48Å; D776-F780 HydrophobicContact CB-CD2 4.32Å; D776-F780 HydrophobicContact CB-CE2 3.77Å; D776-F780 HydrophobicContact CB-CZ 4.4Å; D776-F780 WeakPolarHBondContact O-CD2 3.4Å; D776-F780 WeakPolarHBondContact O-CG 3.21Å; D776-F780 PolarHBondContact O-N 3.08Å; V777-F780 PolarHBondContact O-N 3.26Å; E778-F780 PolarHBondContact O-N 2.85Å; F780-N783 CarbonylContact O-C 3.3Å; F780-N783 VanDerWaalsContact O-C 3.3Å; F780-N783 PolarHBondContact O-N 3.06Å; F780-F784 WeakPolarHBondContact O-CA 3.24Å; F780-F784 PolarHBondContact O-N 3.15Å; F780-F784 VanDerWaalsContact O-N 3.13Å; F780-T787 HydrophobicContact CB-CG2 3.99Å; F780-T787 HydrophobicContact CD1-CG2 3.72Å; F780-T787 HydrophobicContact CG-CG2 4.07Å; F780-T787 PolarHBondContact O-OG1 3.35Å; F780-V808 HydrophobicContact CB-CG1 4.04Å; F780-V808 HydrophobicContact CD2-CB 4.43Å; F780-V808 HydrophobicContact CD2-CG1 3.85Å; F780-V808 HydrophobicContact CD2-CG2 3.6Å; F780-V808 HydrophobicContact CE2-CG2 3.63Å; F780-V808 HydrophobicContact CG-CG1 3.94Å; F780-V808 HydrophobicContact CG-CG2 4.46Å; F780-V808 HydrophobicContact CZ-CG2 4.48Å
781I84.3Confident82.4Confident64 Ų6459.5 Ų59.533%0.32829%0.293SS..Hα-helixtrans-61.4-45.8175-70.7165.7000110.2V777 E778 N783 F784 L812V777-I781 HydrophobicContact CG1-CD1 3.79Å; V777-I781 HydrophobicContact CG1-CG1 4.49Å; V777-I781 WeakPolarHBondContact O-CB 3.41Å; V777-I781 VanDerWaalsContact O-CG1 3.26Å; V777-I781 WeakPolarHBondContact O-CG1 3.49Å; V777-I781 PolarHBondContact O-N 3.28Å; E778-I781 PolarHBondContact O-N 3Å; I781-N783 VanDerWaalsContact C-N 3.29Å; I781-N783 PolarHBondContact O-N 2.82Å; I781-F784 PolarHBondContact O-N 3.42Å; I781-L812 HydrophobicContact CB-CD2 4.44Å; I781-L812 HydrophobicContact CG1-CD2 3.86Å
782K85.8Confident82.5Confident148 Ų14853.7 Ų53.764%0.64326%0.261SS*.Hα-helixtrans-61.6-35.4177.6-174.4-179.2178.8-174.30112.7E778E778-K782 VanDerWaalsContact O-CB 3.23Å; E778-K782 WeakPolarHBondContact O-CB 3.37Å; E778-K782 PolarHBondContact O-N 3Å
783N82.3Confident82.2Confident27 Ų2755 Ų5514%0.14427%0.267CS..THydrogen-bonded Turntrans-107.137.9-179.2-61.1-78.6000112.2I758 I762 F779 F780 I781 E785 I786 T787I758-N783 HydrophobicContact CG2-CB 4.43Å; I762-N783 HydrophobicContact CD1-CB 3.84Å; F779-N783 WeakPolarHBondContact CD2-ND2 3.41Å; F779-N783 WeakPolarHBondContact CE2-ND2 3.34Å; F779-N783 WeakPolarHBondContact O-CB 3.44Å; F779-N783 PolarHBondContact O-N 3Å; F779-N783 VanDerWaalsContact O-N 3.08Å; F779-N783 PolarHBondContact O-ND2 3.02Å; F780-N783 CarbonylContact O-C 3.3Å; F780-N783 VanDerWaalsContact O-C 3.3Å; F780-N783 PolarHBondContact O-N 3.06Å; I781-N783 VanDerWaalsContact C-N 3.29Å; I781-N783 PolarHBondContact O-N 2.82Å; N783-E785 PolarHBondContact O-N 2.88Å; N783-I786 HydrophobicContact CB-CB 4.5Å; N783-I786 HydrophobicContact CB-CD1 4.46Å; N783-I786 PolarHBondContact O-N 3.45Å; N783-T787 WeakPolarHBondContact O-CB 3.19Å; N783-T787 PolarHBondContact O-N 3.46Å; N783-T787 PolarHBondContact O-OG1 3.31Å
784F82.3Confident82Confident76 Ų7651.8 Ų51.833%0.33325%0.247SC..Hα-helixtrans-48.8-52.9-168.1178.5-142.6000115.2F780 I781 I786 T787 K788 L812F780-F784 WeakPolarHBondContact O-CA 3.24Å; F780-F784 PolarHBondContact O-N 3.15Å; F780-F784 VanDerWaalsContact O-N 3.13Å; I781-F784 PolarHBondContact O-N 3.42Å; F784-I786 PolarHBondContact O-N 3.15Å; F784-T787 WeakPolarHBondContact O-CB 3.46Å; F784-T787 PolarHBondContact O-N 3.38Å; F784-K788 HydrophobicContact CD2-CG 4.45Å; F784-K788 VanDerWaalsContact CE1-CE 3.46Å; F784-K788 HydrophobicContact CE2-CD 4.4Å; F784-K788 HydrophobicContact CE2-CG 4.31Å; F784-K788 PolarHBondContact O-N 3.36Å; F784-L812 HydrophobicContact CD2-CB 4.29Å; F784-L812 HydrophobicContact CD2-CD1 3.94Å; F784-L812 HydrophobicContact CD2-CD2 3.69Å; F784-L812 HydrophobicContact CD2-CG 4.18Å; F784-L812 HydrophobicContact CE2-CB 3.92Å; F784-L812 HydrophobicContact CE2-CD1 4.12Å; F784-L812 HydrophobicContact CE2-CD2 4.2Å; F784-L812 HydrophobicContact CE2-CG 4.3Å
785E77.5Confident81.6Confident107 Ų10749.2 Ų49.250%0.523%0.232SC..Hα-helixtrans-67-38.5-177.2-60.9-53.7136.100112.8N783 T787 K788N783-E785 PolarHBondContact O-N 2.88Å; E785-T787 VanDerWaalsContact C-N 3.29Å; E785-T787 PolarHBondContact O-N 2.89Å; E785-K788 PolarHBondContact O-N 3.08Å; E785-K788 IonicContact OE1-NZ 2.61Å; E785-K788 PolarHBondContact OE1-NZ 3.28Å; E785-K788 IonicContact OE2-NZ 2.7Å; E785-K788 PolarHBondContact OE2-NZ 3.16Å
786I83.5Confident80.7Confident19 Ų1946.6 Ų46.610%0.09722%0.222CC..Hα-helixtrans-66.6-37.8174.8-47.7174.7000109.5Q714 I758 I759 I762 N783 F784 K788 V789 A790Q714-I786 VanDerWaalsContact OE1-CD1 3.26Å; I758-I786 HydrophobicContact CB-CD1 4.28Å; I758-I786 HydrophobicContact CD1-CD1 4.36Å; I758-I786 HydrophobicContact CG2-CD1 3.77Å; I758-I786 HydrophobicContact CG2-CG2 4.33Å; I759-I786 HydrophobicContact CB-CG2 4.45Å; I759-I786 HydrophobicContact CD1-CG2 4.5Å; I759-I786 HydrophobicContact CG1-CG2 3.46Å; I759-I786 VanDerWaalsContact CG1-CG2 3.46Å; I762-I786 HydrophobicContact CD1-CB 3.79Å; I762-I786 HydrophobicContact CD1-CG2 3.6Å; N783-I786 HydrophobicContact CB-CB 4.5Å; N783-I786 HydrophobicContact CB-CD1 4.46Å; N783-I786 PolarHBondContact O-N 3.45Å; F784-I786 PolarHBondContact O-N 3.15Å; I786-K788 PolarHBondContact O-N 3.13Å; I786-V789 PolarHBondContact O-N 3.02Å; I786-A790 WeakPolarHBondContact O-CB 3.34Å; I786-A790 PolarHBondContact O-N 3.33Å
787T84.8Confident79.6Confident0 Ų052.9 Ų52.90%025%0.245CC..Hα-helixtrans-65.4-36.3179.2-55.20000112.3I762 F780 N783 F784 E785 V789 A790 I791 V808 L812I762-T787 HydrophobicContact CG2-CG2 4.1Å; F780-T787 HydrophobicContact CB-CG2 3.99Å; F780-T787 HydrophobicContact CD1-CG2 3.72Å; F780-T787 HydrophobicContact CG-CG2 4.07Å; F780-T787 PolarHBondContact O-OG1 3.35Å; N783-T787 WeakPolarHBondContact O-CB 3.19Å; N783-T787 PolarHBondContact O-N 3.46Å; N783-T787 PolarHBondContact O-OG1 3.31Å; F784-T787 WeakPolarHBondContact O-CB 3.46Å; F784-T787 PolarHBondContact O-N 3.38Å; E785-T787 VanDerWaalsContact C-N 3.29Å; E785-T787 PolarHBondContact O-N 2.89Å; T787-V789 VanDerWaalsContact C-N 3.34Å; T787-V789 PolarHBondContact O-N 3.49Å; T787-A790 PolarHBondContact O-N 3.13Å; T787-I791 HydrophobicContact CG2-CD1 3.83Å; T787-I791 HydrophobicContact CG2-CG1 4.21Å; T787-I791 VanDerWaalsContact O-CB 3.24Å; T787-I791 WeakPolarHBondContact O-CB 3.28Å; T787-I791 VanDerWaalsContact O-CG1 3.23Å; T787-I791 WeakPolarHBondContact O-CG1 3.35Å; T787-I791 PolarHBondContact O-N 2.99Å; T787-V808 HydrophobicContact CG2-CG1 4.11Å; T787-L812 HydrophobicContact CG2-CD1 4.05Å
788K80.4Confident78.5Confident78 Ų7854.3 Ų54.334%0.33926%0.256SS..Hα-helixtrans-57.6-46172.1-66.4171.8-164.8167.80112F784 E785 I786 I791 Q792F784-K788 HydrophobicContact CD2-CG 4.45Å; F784-K788 VanDerWaalsContact CE1-CE 3.46Å; F784-K788 HydrophobicContact CE2-CD 4.4Å; F784-K788 HydrophobicContact CE2-CG 4.31Å; F784-K788 PolarHBondContact O-N 3.36Å; E785-K788 PolarHBondContact O-N 3.08Å; E785-K788 IonicContact OE1-NZ 2.61Å; E785-K788 PolarHBondContact OE1-NZ 3.28Å; E785-K788 IonicContact OE2-NZ 2.7Å; E785-K788 PolarHBondContact OE2-NZ 3.16Å; I786-K788 PolarHBondContact O-N 3.13Å; K788-I791 PolarHBondContact O-N 3.19Å; K788-Q792 PolarHBondContact O-N 3.49Å
789V77.6Confident77.3Confident31 Ų3153.2 Ų53.219%0.18825%0.254CS..Hα-helixtrans-71.9-40.2-178.4179.20000111.3M718 I786 T787 Q792 Q793M718-V789 HydrophobicContact CE-CB 4.31Å; M718-V789 HydrophobicContact CE-CG1 4.18Å; M718-V789 HydrophobicContact CE-CG2 4.3Å; M718-V789 HydrophobicContact SD-CB 4.2Å; M718-V789 HydrophobicContact SD-CG2 3.63Å; I786-V789 PolarHBondContact O-N 3.02Å; T787-V789 VanDerWaalsContact C-N 3.34Å; T787-V789 PolarHBondContact O-N 3.49Å; V789-Q792 VanDerWaalsContact O-CB 3.3Å; V789-Q792 WeakPolarHBondContact O-CB 3.27Å; V789-Q792 PolarHBondContact O-N 3.3Å; V789-Q792 VanDerWaalsContact O-N 3.15Å; V789-Q793 PolarHBondContact O-N 3.24Å
790A82.2Confident76Confident0 Ų058.6 Ų58.60%028%0.284CS..Hα-helixtrans-65.5-36.7173.700000112.5I762 L763 L766 I786 T787 Q792 Q793 A794I762-A790 HydrophobicContact CB-CB 3.98Å; I762-A790 HydrophobicContact CG2-CB 3.35Å; L763-A790 HydrophobicContact CD1-CB 4.21Å; L763-A790 VanDerWaalsContact CD1-O 3.24Å; L763-A790 WeakPolarHBondContact CD1-O 3.41Å; L766-A790 HydrophobicContact CD1-CB 4.28Å; I786-A790 WeakPolarHBondContact O-CB 3.34Å; I786-A790 PolarHBondContact O-N 3.33Å; T787-A790 PolarHBondContact O-N 3.13Å; A790-Q792 VanDerWaalsContact C-N 3.31Å; A790-Q792 PolarHBondContact O-N 3.25Å; A790-Q793 PolarHBondContact O-N 3.41Å; A790-A794 WeakPolarHBondContact O-CB 3.45Å; A790-A794 PolarHBondContact O-N 2.9Å
791I81.5Confident75Confident2 Ų259.4 Ų59.41%0.0129%0.288CS..Hα-helixtrans-58.7-44.6169.4-81.1168.9000110.4L766 T787 K788 Q793 A794 R795 I805 V808 E809 L812L766-I791 HydrophobicContact CD1-CG1 3.82Å; L766-I791 HydrophobicContact CD2-CG1 4.39Å; T787-I791 HydrophobicContact CG2-CD1 3.83Å; T787-I791 HydrophobicContact CG2-CG1 4.21Å; T787-I791 VanDerWaalsContact O-CB 3.24Å; T787-I791 WeakPolarHBondContact O-CB 3.28Å; T787-I791 VanDerWaalsContact O-CG1 3.23Å; T787-I791 WeakPolarHBondContact O-CG1 3.35Å; T787-I791 PolarHBondContact O-N 2.99Å; K788-I791 PolarHBondContact O-N 3.19Å; I791-Q793 VanDerWaalsContact C-N 3.33Å; I791-Q793 PolarHBondContact O-N 3.5Å; I791-A794 PolarHBondContact O-N 2.86Å; I791-R795 VanDerWaalsContact CG2-NH1 3.28Å; I791-R795 WeakPolarHBondContact O-CG 3.39Å; I791-R795 PolarHBondContact O-N 3.24Å; I791-I805 HydrophobicContact CG1-CG1 4.36Å; I791-I805 HydrophobicContact CG1-CG2 4.34Å; I791-I805 HydrophobicContact CG2-CD1 4.45Å; I791-I805 HydrophobicContact CG2-CG2 3.6Å; I791-V808 HydrophobicContact CD1-CG1 3.96Å; I791-E809 HydrophobicContact CD1-CG 3.93Å; I791-E809 HydrophobicContact CG2-CG 4.47Å; I791-L812 HydrophobicContact CD1-CD1 4.28Å
792Q75.9Confident74.1Confident40 Ų4058.3 Ų58.319%0.18728%0.282CS..Hα-helixtrans-59.6-44.4177-140.166.371.200111.7H731 K788 V789 A790 C796H731-Q792 PolarHBondContact CE1-NE2 3.28Å; H731-Q792 VanDerWaalsContact CE1-NE2 3.25Å; H731-Q792 PolarHBondContact CE1-OE1 3.4Å; H731-Q792 WeakPolarHBondContact NE2-CG 3.35Å; H731-Q792 PolarHBondContact NE2-NE2 2.94Å; H731-Q792 PolarHBondContact NE2-OE1 2.9Å; K788-Q792 PolarHBondContact O-N 3.49Å; V789-Q792 VanDerWaalsContact O-CB 3.3Å; V789-Q792 WeakPolarHBondContact O-CB 3.27Å; V789-Q792 PolarHBondContact O-N 3.3Å; V789-Q792 VanDerWaalsContact O-N 3.15Å; A790-Q792 VanDerWaalsContact C-N 3.31Å; A790-Q792 PolarHBondContact O-N 3.25Å; Q792-C796 PolarHBondContact O-SG 3.02Å
793Q75.7Confident73.3Confident58 Ų5858.1 Ų58.127%0.27128%0.282SS..Hα-helixtrans-70-33.1177-172.1178.59.700113.2L763 V789 A790 I791 C796L763-Q793 HydrophobicContact CD1-CB 3.84Å; L763-Q793 HydrophobicContact CD1-CG 3.92Å; L763-Q793 HydrophobicContact CD2-CG 4.18Å; V789-Q793 PolarHBondContact O-N 3.24Å; A790-Q793 PolarHBondContact O-N 3.41Å; I791-Q793 VanDerWaalsContact C-N 3.33Å; I791-Q793 PolarHBondContact O-N 3.5Å; Q793-C796 WeakPolarHBondContact O-CB 3.19Å; Q793-C796 PolarHBondContact O-N 3.09Å
794A77Confident72.8Confident0 Ų058 Ų580%028%0.279CS..Hα-helixtrans-77.7-31.6179.300000112.8L763 L766 A790 I791 C796 R797 I801 I805L763-A794 HydrophobicContact CD1-CB 3.87Å; L766-A794 HydrophobicContact CB-CB 4.26Å; L766-A794 HydrophobicContact CD1-CB 4.14Å; A790-A794 WeakPolarHBondContact O-CB 3.45Å; A790-A794 PolarHBondContact O-N 2.9Å; I791-A794 PolarHBondContact O-N 2.86Å; A794-C796 PolarHBondContact O-N 3.46Å; A794-R797 PolarHBondContact O-N 2.98Å; A794-I801 HydrophobicContact CB-CG2 4.21Å; A794-I805 HydrophobicContact CB-CD1 3.79Å
795R73.4Confident72.5Confident76 Ų7654.4 Ų54.429%0.28726%0.264SS..Hα-helixtrans-54.9-30.7168.3-79.7-169166.9105-2112I791 R797 L802 I805 E809I791-R795 VanDerWaalsContact CG2-NH1 3.28Å; I791-R795 WeakPolarHBondContact O-CG 3.39Å; I791-R795 PolarHBondContact O-N 3.24Å; R795-R797 VanDerWaalsContact C-N 3.27Å; R795-R797 PolarHBondContact O-N 3.22Å; R795-L802 HydrophobicContact CB-CD2 4.44Å; R795-L802 HydrophobicContact CG-CD2 3.86Å; R795-I805 HydrophobicContact CB-CD1 4.48Å; R795-I805 HydrophobicContact CG-CD1 3.77Å; R795-I805 HydrophobicContact CG-CG2 4.46Å; R795-E809 IonicContact CZ-OE1 3.21Å; R795-E809 VanDerWaalsContact CZ-OE1 3.24Å; R795-E809 IonicContact NH1-OE1 2.78Å; R795-E809 PolarHBondContact NH1-OE1 3.12Å; R795-E809 IonicContact NH2-OE1 2.85Å; R795-E809 PolarHBondContact NH2-OE1 3.28Å; R795-E809 IonicContact NH2-OE2 3.71Å; R795-E809 PolarHBondContact NH2-OE2 3.48Å; R795-E809 VanDerWaalsContact NH2-OE2 3.16Å
796C65.4Low72.4Confident63 Ų6352.3 Ų52.343%0.42625%0.254SS..THydrogen-bonded Turntrans-77.9-0.4177.1-450000114.5C743 Q792 Q793 A794C743-C796 HydrophobicContact CB-CB 3.65Å; C743-C796 WeakPolarHBondContact CB-SG 3.5Å; C743-C796 WeakPolarHBondContact SG-CB 3.46Å; C743-C796 CovalentContact SG-SG 2.04Å; C743-C796 PolarHBondContact SG-SG 3.39Å; Q792-C796 PolarHBondContact O-SG 3.02Å; Q793-C796 WeakPolarHBondContact O-CB 3.19Å; Q793-C796 PolarHBondContact O-N 3.09Å; A794-C796 PolarHBondContact O-N 3.46Å
797R63.2Low72.1Confident145 Ų14553 Ų5355%0.54726%0.258SS..THydrogen-bonded Turntrans-109.3-34.9-172.5-75.1-172.6168.8-169-1.4116.3L763 A794 R795 I801L763-R797 VanDerWaalsContact CD2-CZ 3.5Å; A794-R797 PolarHBondContact O-N 2.98Å; R795-R797 VanDerWaalsContact C-N 3.27Å; R795-R797 PolarHBondContact O-N 3.22Å; R797-I801 HydrophobicContact CB-CD1 4.14Å
798S59.5Low71.8Confident51 Ų5153.1 Ų53.136%0.35726%0.258SS..  trans-167.6143.5175-176.50000113.1L800 I801S798-L800 PolarHBondContact O-N 2.89Å; S798-L800 PolarHBondContact OG-N 3.47Å; S798-L800 VanDerWaalsContact OG-N 3.12Å; S798-I801 WeakPolarHBondContact O-CB 3.09Å; S798-I801 PolarHBondContact O-N 2.83Å
799N58.4Low71.6Confident99 Ų9950.8 Ų50.853%0.52925%0.249SC..Hα-helixtrans-64.1-25.2169.6-74.6-4.1000113I801 L802N799-I801 VanDerWaalsContact C-N 3.27Å; N799-I801 PolarHBondContact O-N 3.3Å; N799-L802 HydrophobicContact CB-CD1 4.18Å; N799-L802 WeakPolarHBondContact O-CB 3.42Å; N799-L802 PolarHBondContact O-N 3.03Å
800L58.7Low71.6Confident145 Ų14552.5 Ų52.576%0.75926%0.257SS*.Hα-helixtrans-66.6-32.6176.3-168.368.4000111.6S798 L802S798-L800 PolarHBondContact O-N 2.89Å; S798-L800 PolarHBondContact OG-N 3.47Å; S798-L800 VanDerWaalsContact OG-N 3.12Å; L800-L802 VanDerWaalsContact C-N 3.26Å; L800-L802 PolarHBondContact O-N 3.42Å
801I66.7Low71.1Confident18 Ų1855.1 Ų55.19%0.09227%0.269CS..Hα-helixtrans-71.5-22.1178.6-64.8164.7000111.2L766 T767 A794 R797 S798 N799 K803 K804 I805L766-I801 WeakPolarHBondContact O-CG2 3.35Å; T767-I801 HydrophobicContact CG2-CD1 3.52Å; A794-I801 HydrophobicContact CB-CG2 4.21Å; R797-I801 HydrophobicContact CB-CD1 4.14Å; S798-I801 WeakPolarHBondContact O-CB 3.09Å; S798-I801 PolarHBondContact O-N 2.83Å; N799-I801 VanDerWaalsContact C-N 3.27Å; N799-I801 PolarHBondContact O-N 3.3Å; I801-K803 VanDerWaalsContact C-N 3.3Å; I801-K803 PolarHBondContact O-N 3.14Å; I801-K804 WeakPolarHBondContact O-CB 3.47Å; I801-K804 PolarHBondContact O-N 3.32Å; I801-I805 HydrophobicContact CG2-CD1 3.69Å; I801-I805 HydrophobicContact CG2-CG1 3.86Å; I801-I805 PolarHBondContact O-N 3.14Å
802L65.1Low70.6Confident41 Ų4155.6 Ų55.622%0.21527%0.271CS..Hα-helixtrans-58.2-38-179.1-65174.5000112.8R795 N799 L800 I805 E806R795-L802 HydrophobicContact CB-CD2 4.44Å; R795-L802 HydrophobicContact CG-CD2 3.86Å; N799-L802 HydrophobicContact CB-CD1 4.18Å; N799-L802 WeakPolarHBondContact O-CB 3.42Å; N799-L802 PolarHBondContact O-N 3.03Å; L800-L802 VanDerWaalsContact C-N 3.26Å; L800-L802 PolarHBondContact O-N 3.42Å; L802-I805 PolarHBondContact O-N 3.29Å; L802-E806 WeakPolarHBondContact O-CB 3.41Å; L802-E806 PolarHBondContact O-N 2.92Å
803K68.8Low70.3Confident145 Ų14557.6 Ų57.663%0.6328%0.28SS*.Hα-helixtrans-64.9-40.8174.9-78.7-164.1172.8-167.60112.5I801 E806 I807I801-K803 VanDerWaalsContact C-N 3.3Å; I801-K803 PolarHBondContact O-N 3.14Å; K803-E806 PolarHBondContact O-N 2.93Å; K803-I807 WeakPolarHBondContact O-CD1 3.38Å; K803-I807 VanDerWaalsContact O-CG1 3.26Å; K803-I807 WeakPolarHBondContact O-CG1 3.22Å; K803-I807 PolarHBondContact O-N 3.35Å; K803-I807 VanDerWaalsContact O-N 3.07Å
804K72.4Confident69.8Low23 Ų2358.5 Ų58.510%0.129%0.292CS..Hα-helixtrans-60.6-48.1172.7-101.9-164.4168.6-179.20110.6R765 L766 D768 S770 L772 I801 E806 I807 V808R765-K804 PolarHBondContact O-NZ 2.69Å; L766-K804 WeakPolarHBondContact O-CD 3.37Å; D768-K804 WeakPolarHBondContact O-CE 3.45Å; D768-K804 PolarHBondContact O-NZ 2.79Å; S770-K804 WeakPolarHBondContact O-CE 3.3Å; S770-K804 PolarHBondContact O-NZ 3.03Å; S770-K804 PolarHBondContact OG-NZ 3.44Å; L772-K804 HydrophobicContact CD1-CD 4.21Å; L772-K804 HydrophobicContact CD1-CG 4.22Å; I801-K804 WeakPolarHBondContact O-CB 3.47Å; I801-K804 PolarHBondContact O-N 3.32Å; K804-E806 PolarHBondContact O-N 3.36Å; K804-I807 PolarHBondContact O-N 2.95Å; K804-V808 WeakPolarHBondContact O-CG2 3.22Å; K804-V808 PolarHBondContact O-N 3.46Å
805I75.7Confident68.9Low1 Ų160.8 Ų60.81%0.00531%0.308CS..Hα-helixtrans-59.9-43.3177.7-73.4176.9000111.5L766 I791 A794 R795 I801 L802 V808 E809L766-I805 HydrophobicContact CD2-CG1 4.28Å; I791-I805 HydrophobicContact CG1-CG1 4.36Å; I791-I805 HydrophobicContact CG1-CG2 4.34Å; I791-I805 HydrophobicContact CG2-CD1 4.45Å; I791-I805 HydrophobicContact CG2-CG2 3.6Å; A794-I805 HydrophobicContact CB-CD1 3.79Å; R795-I805 HydrophobicContact CB-CD1 4.48Å; R795-I805 HydrophobicContact CG-CD1 3.77Å; R795-I805 HydrophobicContact CG-CG2 4.46Å; I801-I805 HydrophobicContact CG2-CD1 3.69Å; I801-I805 HydrophobicContact CG2-CG1 3.86Å; I801-I805 PolarHBondContact O-N 3.14Å; L802-I805 PolarHBondContact O-N 3.29Å; I805-V808 PolarHBondContact O-N 3.21Å; I805-E809 HydrophobicContact CG2-CG 4.29Å; I805-E809 WeakPolarHBondContact O-CB 3.35Å; I805-E809 WeakPolarHBondContact O-CG 3.4Å; I805-E809 PolarHBondContact O-N 3.03Å
806E75.5Confident68Low64 Ų6461.3 Ų61.330%0.29932%0.323SS..Hα-helixtrans-64.4-42.8179.5-174.6173.4-139.300111.4N738 L802 K803 K804 E809 N810N738-E806 PolarHBondContact ND2-OE1 3.17Å; L802-E806 WeakPolarHBondContact O-CB 3.41Å; L802-E806 PolarHBondContact O-N 2.92Å; K803-E806 PolarHBondContact O-N 2.93Å; K804-E806 PolarHBondContact O-N 3.36Å; E806-E809 PolarHBondContact O-N 3.38Å; E806-N810 VanDerWaalsContact O-CB 3.25Å; E806-N810 WeakPolarHBondContact O-CB 3.12Å; E806-N810 PolarHBondContact O-N 3.29Å; E806-N810 PolarHBondContact O-ND2 2.99Å; E806-N810 PolarHBondContact O-OD1 3.19Å
807I77Confident66.9Low33 Ų3365.2 Ų65.217%0.16934%0.337CS..Hα-helixtrans-61-47.7173.3-63.2158.6000110.5L772 K803 K804 N810 Q811 L825 L827L772-I807 HydrophobicContact CD2-CB 4.36Å; L772-I807 HydrophobicContact CD2-CG2 3.69Å; K803-I807 WeakPolarHBondContact O-CD1 3.38Å; K803-I807 VanDerWaalsContact O-CG1 3.26Å; K803-I807 WeakPolarHBondContact O-CG1 3.22Å; K803-I807 PolarHBondContact O-N 3.35Å; K803-I807 VanDerWaalsContact O-N 3.07Å; K804-I807 PolarHBondContact O-N 2.95Å; I807-N810 PolarHBondContact O-N 3.29Å; I807-Q811 WeakPolarHBondContact O-CG 3.05Å; I807-Q811 PolarHBondContact O-N 2.96Å; I807-L825 HydrophobicContact CG2-CD2 4.07Å; I807-L827 HydrophobicContact CD1-CD1 3.69Å; I807-L827 HydrophobicContact CD1-CD2 4.03Å; I807-L827 HydrophobicContact CG1-CD1 4.34Å; I807-L827 HydrophobicContact CG1-CD2 4.41Å
808V77.3Confident65.6Low2 Ų264.6 Ų64.61%0.01234%0.343CS..Hα-helixtrans-62.7-47178.2175.20000111.1L766 L772 F780 T787 I791 K804 I805 N810 Q811 L812L766-V808 HydrophobicContact CD2-CG2 4.03Å; L772-V808 HydrophobicContact CD1-CG2 3.88Å; L772-V808 HydrophobicContact CD2-CG2 3.66Å; L772-V808 HydrophobicContact CG-CG2 4.39Å; F780-V808 HydrophobicContact CB-CG1 4.04Å; F780-V808 HydrophobicContact CD2-CB 4.43Å; F780-V808 HydrophobicContact CD2-CG1 3.85Å; F780-V808 HydrophobicContact CD2-CG2 3.6Å; F780-V808 HydrophobicContact CE2-CG2 3.63Å; F780-V808 HydrophobicContact CG-CG1 3.94Å; F780-V808 HydrophobicContact CG-CG2 4.46Å; F780-V808 HydrophobicContact CZ-CG2 4.48Å; T787-V808 HydrophobicContact CG2-CG1 4.11Å; I791-V808 HydrophobicContact CD1-CG1 3.96Å; K804-V808 WeakPolarHBondContact O-CG2 3.22Å; K804-V808 PolarHBondContact O-N 3.46Å; I805-V808 PolarHBondContact O-N 3.21Å; V808-N810 VanDerWaalsContact C-N 3.33Å; V808-N810 PolarHBondContact O-N 2.83Å; V808-Q811 PolarHBondContact O-N 3.45Å; V808-L812 HydrophobicContact CG1-CD1 3.74Å; V808-L812 HydrophobicContact CG1-CG 4.15Å; V808-L812 WeakPolarHBondContact O-CB 3.08Å; V808-L812 WeakPolarHBondContact O-CG 3.36Å; V808-L812 PolarHBondContact O-N 3.21Å
809E76.8Confident64.4Low29 Ų2971 Ų7114%0.13637%0.367CS..Hα-helixtrans-61.6-39.6177.3-80.9-160177.200112.5I791 R795 I805 E806 L812 K813I791-E809 HydrophobicContact CD1-CG 3.93Å; I791-E809 HydrophobicContact CG2-CG 4.47Å; R795-E809 IonicContact CZ-OE1 3.21Å; R795-E809 VanDerWaalsContact CZ-OE1 3.24Å; R795-E809 IonicContact NH1-OE1 2.78Å; R795-E809 PolarHBondContact NH1-OE1 3.12Å; R795-E809 IonicContact NH2-OE1 2.85Å; R795-E809 PolarHBondContact NH2-OE1 3.28Å; R795-E809 IonicContact NH2-OE2 3.71Å; R795-E809 PolarHBondContact NH2-OE2 3.48Å; R795-E809 VanDerWaalsContact NH2-OE2 3.16Å; I805-E809 HydrophobicContact CG2-CG 4.29Å; I805-E809 WeakPolarHBondContact O-CB 3.35Å; I805-E809 WeakPolarHBondContact O-CG 3.4Å; I805-E809 PolarHBondContact O-N 3.03Å; E806-E809 PolarHBondContact O-N 3.38Å; E809-L812 PolarHBondContact O-N 2.69Å; E809-K813 VanDerWaalsContact O-CB 3.3Å; E809-K813 WeakPolarHBondContact O-CB 3.33Å; E809-K813 VanDerWaalsContact O-CD 3.29Å; E809-K813 WeakPolarHBondContact O-CD 3.02Å; E809-K813 WeakPolarHBondContact O-CG 3.2Å; E809-K813 PolarHBondContact O-N 3.12Å; E809-K813 IonicContact OE2-NZ 2.75Å; E809-K813 PolarHBondContact OE2-NZ 3.46Å
810N76.9Confident63.4Low68 Ų6870.6 Ų70.636%0.36437%0.372SS..Hα-helixtrans-67.3-42.7177.5-69-14.1000110.8Y736 E806 I807 V808 K813 S814Y736-N810 PolarHBondContact OH-OD1 2.67Å; E806-N810 VanDerWaalsContact O-CB 3.25Å; E806-N810 WeakPolarHBondContact O-CB 3.12Å; E806-N810 PolarHBondContact O-N 3.29Å; E806-N810 PolarHBondContact O-ND2 2.99Å; E806-N810 PolarHBondContact O-OD1 3.19Å; I807-N810 PolarHBondContact O-N 3.29Å; V808-N810 VanDerWaalsContact C-N 3.33Å; V808-N810 PolarHBondContact O-N 2.83Å; N810-K813 PolarHBondContact O-N 3.15Å; N810-S814 WeakPolarHBondContact O-CB 3.47Å; N810-S814 PolarHBondContact O-N 3.35Å; N810-S814 PolarHBondContact O-OG 3.09Å; N810-S814 VanDerWaalsContact O-OG 3.1Å
811Q72.1Confident62.4Low54 Ų5472.2 Ų72.225%0.25237%0.373SS..Hα-helixtrans-64.6-40.2174-68.9-65.1-11.500112.3V777 I807 V808 S815V777-Q811 HydrophobicContact CG1-CB 4.21Å; V777-Q811 HydrophobicContact CG1-CG 4.38Å; I807-Q811 WeakPolarHBondContact O-CG 3.05Å; I807-Q811 PolarHBondContact O-N 2.96Å; V808-Q811 PolarHBondContact O-N 3.45Å; Q811-S815 VanDerWaalsContact O-CB 3.24Å; Q811-S815 WeakPolarHBondContact O-CB 3.47Å; Q811-S815 PolarHBondContact O-N 3Å
812L72Confident61.3Low12 Ų1277.8 Ų77.86%0.06341%0.408CS..Hα-helixtrans-66.4-38.3175.6-72175000112.4I781 F784 T787 I791 V808 E809 S816I781-L812 HydrophobicContact CB-CD2 4.44Å; I781-L812 HydrophobicContact CG1-CD2 3.86Å; F784-L812 HydrophobicContact CD2-CB 4.29Å; F784-L812 HydrophobicContact CD2-CD1 3.94Å; F784-L812 HydrophobicContact CD2-CD2 3.69Å; F784-L812 HydrophobicContact CD2-CG 4.18Å; F784-L812 HydrophobicContact CE2-CB 3.92Å; F784-L812 HydrophobicContact CE2-CD1 4.12Å; F784-L812 HydrophobicContact CE2-CD2 4.2Å; F784-L812 HydrophobicContact CE2-CG 4.3Å; T787-L812 HydrophobicContact CG2-CD1 4.05Å; I791-L812 HydrophobicContact CD1-CD1 4.28Å; V808-L812 HydrophobicContact CG1-CD1 3.74Å; V808-L812 HydrophobicContact CG1-CG 4.15Å; V808-L812 WeakPolarHBondContact O-CB 3.08Å; V808-L812 WeakPolarHBondContact O-CG 3.36Å; V808-L812 PolarHBondContact O-N 3.21Å; E809-L812 PolarHBondContact O-N 2.69Å; L812-S816 PolarHBondContact O-N 3.1Å; L812-S816 VanDerWaalsContact O-N 3.12Å
813K69.3Low60.1Low83 Ų8383.7 Ų83.736%0.36144%0.437SS..Hα-helixtrans-69.3-44.5176.1-72.1160.9-162.3171.30110.7Y736 E809 N810 S816Y736-K813 HydrophobicContact CE2-CD 3.93Å; Y736-K813 VanDerWaalsContact OH-CD 3.26Å; Y736-K813 WeakPolarHBondContact OH-CD 3.48Å; Y736-K813 PolarHBondContact OH-NZ 3.41Å; E809-K813 VanDerWaalsContact O-CB 3.3Å; E809-K813 WeakPolarHBondContact O-CB 3.33Å; E809-K813 VanDerWaalsContact O-CD 3.29Å; E809-K813 WeakPolarHBondContact O-CD 3.02Å; E809-K813 WeakPolarHBondContact O-CG 3.2Å; E809-K813 PolarHBondContact O-N 3.12Å; E809-K813 IonicContact OE2-NZ 2.75Å; E809-K813 PolarHBondContact OE2-NZ 3.46Å; N810-K813 PolarHBondContact O-N 3.15Å; K813-S816 WeakPolarHBondContact O-CB 2.87Å; K813-S816 PolarHBondContact O-N 3.39Å; K813-S816 PolarHBondContact O-OG 3.35Å
814S63.9Low58.8Low77 Ų7782.2 Ų82.254%0.53844%0.442SS..Hα-helixtrans-57.7-49.2170.3-65.80000112.2N810 S816 M817N810-S814 WeakPolarHBondContact O-CB 3.47Å; N810-S814 PolarHBondContact O-N 3.35Å; N810-S814 PolarHBondContact O-OG 3.09Å; N810-S814 VanDerWaalsContact O-OG 3.1Å; S814-S816 PolarHBondContact O-N 2.89Å; S814-S816 VanDerWaalsContact O-N 3.15Å; S814-M817 CarbonylContact O-C 3.49Å; S814-M817 WeakPolarHBondContact O-CA 3.21Å; S814-M817 PolarHBondContact O-N 3.04Å; S814-M817 VanDerWaalsContact O-O 3.09Å
815S59.3Low57.2Low47 Ų4785.9 Ų85.933%0.32946%0.462SS..Hα-helixtrans-67.5-13.7-178.7-170.70000114.1Q811Q811-S815 VanDerWaalsContact O-CB 3.24Å; Q811-S815 WeakPolarHBondContact O-CB 3.47Å; Q811-S815 PolarHBondContact O-N 3Å
816S53.3Low55.6Low87 Ų8793.5 Ų93.561%0.60850%0.503SS*.THydrogen-bonded Turntrans-71.6-20.316979.10000112.6L812 K813 S814L812-S816 PolarHBondContact O-N 3.1Å; L812-S816 VanDerWaalsContact O-N 3.12Å; K813-S816 WeakPolarHBondContact O-CB 2.87Å; K813-S816 PolarHBondContact O-N 3.39Å; K813-S816 PolarHBondContact O-OG 3.35Å; S814-S816 PolarHBondContact O-N 2.89Å; S814-S816 VanDerWaalsContact O-N 3.15Å
817M42.5Very low53.9Low145 Ų14595.9 Ų95.971%0.71452%0.517SS*.SBendtrans-106.799170.1-71.6-166.169.100110.7S814S814-M817 CarbonylContact O-C 3.49Å; S814-M817 WeakPolarHBondContact O-CA 3.21Å; S814-M817 PolarHBondContact O-N 3.04Å; S814-M817 VanDerWaalsContact O-O 3.09Å
818I35.7Very low51.7Low132 Ų132102.7 Ų102.768%0.67757%0.568SS**  trans75.1126.6164.4-51164.2000114.7S820I818-S820 PolarHBondContact O-N 3.12Å
819H35.4Very low50.5Low186 Ų186107.8 Ų107.886%0.86160%0.596SS**SBendtrans-64.497.7159.8-8027.7000109.9
820S36.2Very low49.1Very low90 Ų90111.9 Ų111.963%0.62962%0.62SS**  trans168.3156.9138.7520000113.7I818I818-S820 PolarHBondContact O-N 3.12Å
821K39.6Very low47.5Very low179 Ų179114.3 Ų114.378%0.77863%0.634SS**  trans61.189.5158-69.3168.6-179176.90117.5M823K821-M823 PolarHBondContact O-N 3.49Å
822T42.5Very low46.1Very low136 Ų136117.9 Ų117.983%0.83466%0.657SS**  26.494.2120.156.60000116.8
823M40Very low44.5Very low164 Ų164124.5 Ų124.581%0.80869%0.694SS**  trans-90.4139.5145.4-76.7-160.871.800109.2K821K821-M823 PolarHBondContact O-N 3.49Å
824P41.5Very low42.8Very low115 Ų115127.3 Ų127.375%0.74772%0.716SS**  trans-68.1135.8177.428.4-33.9000110.9N826P824-N826 PolarHBondContact O-N 3.4Å
825L39.8Very low41.3Very low100 Ų100130.9 Ų130.952%0.52473%0.729SS.*  trans-68110.9168.1-71.9170.2000108.9I807 L827I807-L825 HydrophobicContact CG2-CD2 4.07Å; L825-L827 HydrophobicContact CB-CD1 4.31Å; L825-L827 HydrophobicContact CD2-CD1 4.33Å
826N42.2Very low39.9Very low160 Ų160137.3 Ų137.386%0.85676%0.759SS**  trans-102.284.1170.8-152.90.5000108.6P824P824-N826 PolarHBondContact O-N 3.4Å
827L39.7Very low38.8Very low114 Ų114141.5 Ų141.560%0.59777%0.772SS**  trans-105.5109-179.6-82.6158.7000109.5I807 L825I807-L827 HydrophobicContact CD1-CD1 3.69Å; I807-L827 HydrophobicContact CD1-CD2 4.03Å; I807-L827 HydrophobicContact CG1-CD1 4.34Å; I807-L827 HydrophobicContact CG1-CD2 4.41Å; L825-L827 HydrophobicContact CB-CD1 4.31Å; L825-L827 HydrophobicContact CD2-CD1 4.33Å
828S30.8Very low38.5Very low177 Ų177141.2 Ų141.2100%1.23878%0.777SS**  trans-115.90166.164.20000109.6

Retrieved 828 of 828 residues in 596.2 ms (Link to these results)